NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.3549 8.1832 117.5834 52.3306 38.8764 174.9346 2 L 4.0862 8.4510 117.7558 57.0263 41.3081 178.5835 3 F 4.0626 9.3042 121.6895 61.5103 39.5871 176.7408 4 Q 4.1386 8.9873 117.8665 58.5631 28.5778 177.8866 5 F 4.4050 8.4511 121.5425 61.5748 39.3468 177.0309 6 A 3.6823 8.3635 120.5397 55.2154 18.0460 179.8854 7 R 3.9225 7.6342 116.2314 59.4134 30.1053 179.1541 8 M 4.4787 8.3315 118.8173 58.5210 31.9730 178.8926 9 I 3.6589 7.8501 120.1392 64.4267 37.2611 178.2505 10 N 4.5358 8.7070 117.7753 56.3333 38.1348 177.6271 11 G 3.2473 8.2297 106.3316 47.4358 0.0000 175.3797 12 K 4.2838 8.0847 119.5949 58.3772 32.5539 178.4342 13 L 4.6238 8.1114 116.4558 52.9170 43.3193 176.0266 14 G 3.9620 7.5264 105.8199 43.5413 0.0000 173.0548 *16 A 3.9556 8.1088 122.9134 52.8562 19.1680 177.4271 17 F 4.6764 8.2474 116.8922 58.7408 38.0373 177.8239 18 S 4.1596 7.9542 117.0423 61.4764 62.4626 176.6617 19 V 3.5823 8.1402 122.0957 64.7279 30.5104 178.1682 20 W 4.6301 7.0913 116.9578 58.6525 28.9677 177.3114 21 N 4.4741 8.1496 116.0058 54.4311 37.9962 175.1134 22 Y 4.5666 7.3217 116.8353 57.6378 38.9531 176.8549 23 I 4.0295 7.8007 124.0184 64.2094 37.8717 175.6311 24 S 4.6184 7.7788 112.8720 58.2193 63.5063 172.7437 25 Y 4.7501 9.2633 129.7754 57.1465 42.0999 175.8925 26 G 3.9753 7.8669 117.2004 45.7521 0.0000 172.1775 27 C 4.3884 8.8336 114.1576 58.0180 40.8530 174.6540 28 Y 4.1386 8.3249 115.6282 58.3104 40.1364 175.2542 29 C 4.7674 8.5884 118.4778 58.0780 41.4869 171.8129 30 G 4.7004 8.8140 111.8048 46.2641 0.0000 175.3337 31 W 4.7530 9.0384 120.2892 56.3872 29.4794 175.8868 32 G 4.0452 7.3572 113.1831 45.2569 0.0000 173.1891 33 G 4.2547 9.5041 115.2747 44.8335 0.0000 172.5192 34 Q 4.5083 7.3283 115.7867 55.7944 31.2853 175.2449 35 G 4.2724 8.8078 105.7204 45.1638 0.0000 171.7976 36 T 4.6847 8.1632 116.2126 60.8952 70.0943 172.8323 37 P 4.6427 0.0000 0.0000 63.2435 31.8165 176.7413 38 K 3.9802 9.6798 123.1885 58.7576 32.5555 176.1631 39 D 4.5512 7.3600 115.6434 51.5877 41.7324 175.1812 40 A 4.0359 8.8010 119.6274 56.0773 18.3124 179.8571 41 T 3.9823 8.1068 113.8366 66.9855 68.4536 176.0441 42 D 4.6954 9.8472 121.0979 57.4662 41.2189 178.3433 43 R 3.9578 8.2706 119.3216 59.4564 30.0962 177.4919 44 C 4.0980 8.5057 116.5642 60.7420 40.8720 175.8104 45 C 4.4268 8.1365 116.2402 59.6802 40.9572 175.7272 46 F 3.6923 8.5455 122.5899 61.3593 38.8338 177.3052 47 V 3.3229 8.2582 118.0994 66.2609 31.2214 177.4749 48 H 3.8696 8.0862 117.9367 59.0684 29.6540 177.0948 49 D 4.1162 8.0136 120.9798 57.4028 40.6220 177.8703 50 C 3.9982 7.7757 117.1152 60.0660 39.8784 175.5427 51 C 4.1155 7.8924 119.2563 59.9902 44.1980 174.9450 52 Y 4.3469 7.8634 118.4667 61.0791 37.1603 178.9302 53 G 3.6744 8.0376 106.1028 47.4602 0.0000 175.5043 54 G 3.7072 7.6054 105.7940 45.2896 0.0000 173.8453 55 V 3.9146 7.3082 121.8131 61.9971 32.6644 175.1137 56 K 4.3918 8.3816 125.9359 54.8348 34.0293 177.1381 *58 G 3.8175 8.5002 110.5983 44.9990 0.0000 172.4825 59 C 4.6522 7.4443 118.1436 54.4371 47.3575 172.6114 *61 N 4.8582 8.2700 119.5261 53.1484 38.5465 172.5850 *68 P 4.0569 0.0000 0.0000 62.0204 33.3401 179.2868 69 K 4.0109 7.7557 118.5946 58.4913 32.0976 177.1564 70 L 4.5664 7.6623 115.3013 54.0863 43.1672 176.2811 71 A 4.2950 7.7364 121.9709 51.2817 19.4611 176.5701 72 I 4.3296 8.2090 122.8165 59.5100 39.0792 174.8016 73 Y 4.8461 7.6949 123.4595 55.1079 40.7286 174.2012 74 S 5.1512 9.5183 114.5221 56.9726 64.8173 172.5220 75 Y 5.3782 8.4603 123.3857 56.9483 41.0484 172.6944 76 S 4.2194 8.8459 113.3477 57.8559 66.8528 172.5564 77 F 5.1336 8.8419 117.9906 55.9332 41.1531 175.7856 78 Q 4.3922 8.9734 122.3309 54.7631 30.7239 176.0015 79 R 3.9748 9.6527 124.8918 57.3182 27.5148 177.6803 80 G 3.9768 8.2867 102.4029 45.7506 0.0000 172.5368 81 N 4.8189 7.9378 119.3507 51.5032 40.1841 174.0020 82 I 3.3839 8.1458 126.7214 61.2868 38.0506 175.5250 83 V 4.2952 8.6076 126.7325 60.9788 34.3298 173.9415 84 C 4.6244 8.9036 126.2339 57.0574 40.4860 174.4949 85 G 3.9482 8.8093 116.2830 46.2744 0.0000 175.1754 86 R 4.1962 8.5847 119.8422 55.1262 28.8666 175.2267 *88 N 5.3485 8.0997 119.8324 53.5184 39.5380 173.8846 89 N 4.8801 8.4545 118.2352 52.6616 41.6233 175.2012 90 G 4.1032 8.4202 109.9043 46.3521 0.0000 175.6265 91 C 4.3242 8.7358 115.8728 58.0848 39.4380 176.1543 92 L 3.9007 7.6651 119.8061 57.5191 41.0012 179.3955 93 R 3.8554 7.9152 118.9315 59.3767 30.0520 178.5477 94 T 3.7830 7.7537 115.0734 66.6496 68.5158 176.4090 95 I 3.6287 7.9690 121.9126 64.6004 37.1305 177.6114 96 C 2.8088 7.6974 119.1867 59.1068 42.9883 175.2801 97 E 3.6893 8.0282 120.7976 59.3606 29.2102 177.9396 98 C 4.0458 8.0186 116.5063 60.1726 41.1407 176.0424 99 D 3.5917 7.8061 120.0555 57.0993 40.3797 178.5994 100 R 3.7344 7.9566 119.5273 59.4431 29.9385 178.5363 101 V 3.4261 7.8419 117.8002 66.0465 31.5198 177.8300 102 A 3.6032 7.8969 120.2174 54.8215 18.0943 179.5547 103 A 3.5400 7.9609 119.2284 55.2521 18.4370 179.5398 104 N 4.2470 8.1627 115.1700 56.6054 38.5858 176.7286 105 C 4.2370 8.3487 120.1225 59.7626 43.4684 175.6702 106 F 4.3778 8.0125 118.6825 60.7993 38.6118 176.8087 107 H 4.3181 8.4431 117.8785 59.3903 29.4932 176.9974 108 Q 4.0482 8.3455 120.3931 58.6758 29.1764 177.2269 109 N 4.9659 7.9910 115.5879 52.8103 38.9145 176.9175 110 K 4.0989 7.8061 123.2901 60.0007 32.6498 178.5266 111 N 4.5587 8.2192 115.2324 54.9201 38.7009 175.4181 112 T 4.5488 7.6789 107.0720 61.0266 69.1871 173.6731 113 Y 3.9897 7.5956 123.7735 58.4910 39.1767 175.0984 114 N 4.8294 9.0495 126.0859 51.4841 40.0047 174.6652 115 K 4.0716 8.8743 126.7258 59.7974 32.3123 178.9819 116 E 3.8052 8.3890 117.4229 58.8292 29.4939 177.2390 117 Y 4.4898 7.5972 115.7238 57.6936 38.3006 175.7234 118 K 4.1480 7.6191 120.2077 56.8797 33.1682 176.7298 119 F 4.4699 7.4738 117.8153 57.5635 36.8981 176.3146 120 L 4.3115 7.4608 119.0509 54.2615 43.0375 177.9146 121 S 4.4830 8.4169 116.9528 57.5186 64.2977 175.1771 122 S 4.0790 8.7926 117.3001 61.5492 62.5542 176.4388 *124 S 4.5209 7.8817 113.1745 57.8260 64.4208 174.4852 125 K 4.3074 8.2170 119.0519 57.4632 32.1529 176.1309 126 C 5.0291 8.3701 117.2830 56.7840 40.9737 174.7485 127 R 4.2286 8.1109 116.4110 56.4525 30.4147 177.3322 128 Q 4.1372 7.6899 118.0149 55.1357 29.3987 175.4990 129 R 4.1530 8.5335 120.2036 57.0897 30.2948 176.3647 130 S 4.6714 8.5877 121.6249 57.7617 63.3483 173.8815 131 E 4.0206 8.9210 125.8257 56.8859 29.9321 175.8205 132 Q 4.6575 8.5312 126.1059 54.7803 31.0638 176.0929 133 C 4.4285 8.6348 120.0011 57.3521 41.3081 173.7569 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 8.18 5.35 0.00 3.17 3.12 0.00 0.00 6.13 5.79 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 2 L 8.45 4.09 0.00 1.95 1.93 1.09 0.96 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 F 9.30 4.06 0.00 3.23 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.99 4.14 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.53 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 5 F 8.45 4.41 0.00 3.22 3.23 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 6 A 8.36 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.63 3.92 0.00 2.06 2.20 0.00 2.79 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.28 0.00 8 M 8.33 4.48 0.00 2.07 2.35 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 9 I 7.85 3.66 1.75 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.46 0.87 0.00 0.00 10 N 8.71 4.54 0.00 2.54 2.70 0.00 0.00 6.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.23 3.25 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 0.00 12 K 8.08 4.28 0.00 1.83 1.91 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.76 1.64 7.81 13 L 8.11 4.62 0.00 1.75 1.74 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.53 3.96 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 0.00 0.00 0.00 *16 A 8.11 3.96 0.59 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 0.00 0.00 17 F 8.25 4.68 0.00 3.33 3.31 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 18 S 7.95 4.16 0.00 3.94 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 19 V 8.14 3.58 1.66 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 -0.56 0.00 0.00 0.46 0.00 0.00 20 W 7.09 4.63 0.00 3.36 3.31 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 21 N 8.15 4.47 0.00 1.89 1.72 0.00 0.00 6.77 7.01 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 22 Y 7.32 4.57 0.00 2.89 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 23 I 7.80 4.03 2.11 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 1.73 1.80 1.19 0.00 0.00 24 S 7.78 4.62 0.00 4.02 3.50 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 25 Y 9.26 4.75 0.00 2.95 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 26 G 7.87 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 27 C 8.83 4.39 0.00 2.95 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 28 Y 8.32 4.14 0.00 3.45 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 29 C 8.59 4.77 0.00 3.50 3.23 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 30 G 8.81 4.70 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 0.00 0.00 0.00 31 W 9.04 4.75 0.00 3.38 3.46 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 32 G 7.36 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 33 G 9.50 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 0.00 0.00 0.00 34 Q 7.33 4.51 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.15 2.53 0.00 35 G 8.81 4.27 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 0.00 0.00 0.00 36 T 8.16 4.68 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 1.14 0.00 0.00 37 P 0.00 4.64 0.00 1.95 2.10 0.00 3.45 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 38 K 9.68 3.98 0.00 1.01 0.77 0.00 1.36 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.13 0.72 7.81 39 D 7.36 4.55 0.00 2.98 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 40 A 8.80 4.04 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 41 T 8.11 3.98 4.38 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 0.91 0.00 0.00 42 D 9.85 4.70 0.00 2.97 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 43 R 8.27 3.96 0.00 1.96 2.13 0.00 3.20 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 44 C 8.51 4.10 0.00 3.55 3.11 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 45 C 8.14 4.43 0.00 3.51 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 46 F 8.55 3.69 0.00 2.42 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 47 V 8.26 3.32 2.16 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 0.93 0.00 0.00 1.03 0.00 0.00 48 H 8.09 3.87 0.00 3.17 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.01 4.12 0.00 2.65 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 50 C 7.78 4.00 0.00 2.78 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 51 C 7.89 4.12 0.00 2.89 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 Y 7.86 4.35 0.00 3.04 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 53 G 8.04 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 0.00 0.00 0.00 54 G 7.61 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 55 V 7.31 3.91 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 0.72 0.00 0.00 0.91 0.00 0.00 56 K 8.38 4.39 0.00 1.77 1.65 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.32 7.81 *58 G 8.50 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 0.00 0.00 0.00 59 C 7.44 4.65 0.00 2.99 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 *61 N 8.27 4.86 0.00 2.74 2.72 0.00 0.00 7.66 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 *68 P 0.00 4.06 0.00 0.89 0.70 0.00 3.49 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 69 K 7.76 4.01 0.00 1.68 2.03 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.48 7.81 70 L 7.66 4.57 0.00 1.62 1.63 0.91 0.60 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 71 A 7.74 4.30 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 72 I 8.21 4.33 1.82 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 1.37 0.78 0.84 0.00 0.00 73 Y 7.69 4.85 0.00 3.13 2.98 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 74 S 9.52 5.15 0.00 3.92 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 75 Y 8.46 5.38 0.00 3.10 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 76 S 8.85 4.22 0.00 3.86 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 77 F 8.84 5.13 0.00 2.88 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 78 Q 8.97 4.39 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.28 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 79 R 9.65 3.97 0.00 1.95 1.99 0.00 3.31 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 80 G 8.29 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 81 N 7.94 4.82 0.00 2.83 2.86 0.00 0.00 7.17 7.18 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 82 I 8.15 3.38 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 0.44 0.27 0.66 0.00 0.00 83 V 8.61 4.30 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 0.95 0.00 0.00 0.95 0.00 0.00 84 C 8.90 4.62 0.00 2.80 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 85 G 8.81 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 86 R 8.58 4.20 0.00 2.00 2.12 0.00 3.00 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 *88 N 8.10 5.35 0.00 2.75 2.83 0.00 0.00 7.21 8.00 0.00 0.00 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 N 8.45 4.88 0.00 2.74 2.70 0.00 0.00 6.95 7.91 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 90 G 8.42 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 91 C 8.74 4.32 0.00 3.07 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.67 3.90 0.00 1.93 1.85 0.94 0.78 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 93 R 7.92 3.86 0.00 2.06 2.01 0.00 3.06 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 94 T 7.75 3.78 4.36 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 1.16 0.00 0.00 95 I 7.97 3.63 1.94 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 1.15 0.54 0.98 0.00 0.00 96 C 7.70 2.81 0.00 1.74 2.64 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 97 E 8.03 3.69 0.00 2.09 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 2.21 2.28 0.00 98 C 8.02 4.05 0.00 3.24 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 99 D 7.81 3.59 0.00 2.71 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 7.96 3.73 0.00 1.71 1.93 0.00 3.00 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 101 V 7.84 3.43 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 0.89 0.00 0.00 102 A 7.90 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.96 3.54 1.35 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 0.00 0.00 0.00 104 N 8.16 4.25 0.00 2.79 2.85 0.00 0.00 6.70 7.40 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 0.00 105 C 8.35 4.24 0.00 2.99 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 0.00 106 F 8.01 4.38 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.44 4.32 0.00 3.23 3.51 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.35 4.05 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 109 N 7.99 4.97 0.00 2.90 2.88 0.00 0.00 6.76 7.00 0.00 0.00 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 K 7.81 4.10 0.00 1.91 2.11 0.00 1.29 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.42 7.81 111 N 8.22 4.56 0.00 2.77 2.95 0.00 0.00 6.74 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.68 4.55 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 7.60 3.99 0.00 2.95 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 9.05 4.83 0.00 2.65 2.36 0.00 0.00 6.76 7.13 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 0.00 115 K 8.87 4.07 0.00 1.88 1.90 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.71 7.81 116 E 8.39 3.81 0.00 1.32 1.72 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 2.23 2.19 0.00 117 Y 7.60 4.49 0.00 1.80 2.06 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 0.00 118 K 7.62 4.15 0.00 1.43 0.74 0.00 2.02 0.00 0.00 1.67 0.00 0.00 2.43 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.29 7.81 119 F 7.47 4.47 0.00 3.19 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 0.00 120 L 7.46 4.31 0.00 1.62 1.59 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.42 4.48 0.00 4.01 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 0.00 122 S 8.79 4.08 0.00 4.03 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 *124 S 7.88 4.52 0.00 4.03 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 0.00 125 K 8.22 4.31 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 126 C 8.37 5.03 0.00 2.89 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 0.00 127 R 8.11 4.23 0.00 1.79 1.96 0.00 3.21 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 128 Q 7.69 4.14 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 129 R 8.53 4.15 0.00 1.75 1.88 0.00 3.31 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 130 S 8.59 4.67 0.00 3.90 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 0.00 131 E 8.92 4.02 0.00 1.67 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 2.19 2.20 0.00 132 Q 8.53 4.66 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 133 C 8.63 4.43 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.