NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 D 4.6329 8.3493 119.5546 52.8222 41.9536 176.5737 3 N 4.5364 8.2234 118.8717 50.9188 39.4061 174.2475 4 S 4.1710 9.3879 117.6950 61.9094 63.4603 178.0769 5 R 4.0451 8.0144 121.1960 58.9506 29.8853 178.2531 6 Y 4.4855 8.3086 120.6894 60.3984 38.9066 177.8806 7 T 3.6641 7.8141 110.9972 64.8795 68.8764 175.9538 8 H 4.1017 8.3909 121.1270 58.9463 29.8793 176.8021 9 F 4.1103 8.2523 122.3806 61.4675 39.2749 177.0856 10 L 3.9634 7.8126 118.3216 58.1402 41.1551 179.7192 11 T 3.8808 7.5848 114.6094 66.7196 68.4671 176.4410 12 Q 3.9773 7.6904 118.6076 57.8855 29.1341 176.2648 13 H 4.6622 7.9072 113.2887 53.6016 31.5650 172.2929 14 Y 5.2149 8.0566 120.0705 55.7475 41.1986 174.4973 15 D 4.1920 8.7239 125.5355 52.5721 43.9133 175.5245 16 A 3.6422 8.4053 132.1501 55.1963 18.5015 177.9524 17 K 4.6621 7.3313 118.6928 52.1305 32.9726 175.8849 18 P 4.5370 0.0000 0.0000 62.2782 34.0634 178.6239 *19 Q 4.0508 8.7261 121.1897 56.2177 26.1204 179.9472 20 G 3.8095 9.0525 101.1840 46.0485 0.0000 174.6882 21 R 4.0365 8.0870 121.0418 54.5672 29.8317 174.0411 22 D 4.8902 7.2816 119.4244 51.6647 42.8560 177.3291 23 D 4.4527 8.8193 117.8039 58.1173 40.7314 179.3682 24 R 3.9825 8.0731 117.6682 59.1964 29.9284 178.3518 25 Y 4.0155 8.1545 119.0301 60.8215 38.8273 177.3402 26 C 3.8752 7.9902 117.1777 60.2036 38.6331 175.8889 27 E 4.0223 8.2377 119.8804 59.6376 29.0475 179.5654 28 S 4.1490 7.8389 112.5921 61.1784 62.5118 176.0570 29 I 3.4220 7.4667 121.4888 63.9128 37.4974 177.7605 30 M 3.9761 7.7694 119.7913 58.2615 31.7408 178.9129 31 R 3.8836 7.5314 116.6717 59.2787 30.0888 178.8259 32 R 3.8582 7.6639 116.9647 59.5279 30.1035 177.8341 33 R 4.3558 7.9611 114.3053 55.4849 30.4773 176.3603 34 G 3.8452 7.9784 106.6763 47.2647 0.0000 174.2606 35 L 4.7588 8.1101 116.8381 54.4896 42.3505 178.0034 36 T 4.6727 8.0719 105.5985 61.0398 69.3025 174.1398 37 S 4.4873 7.8025 116.4716 56.4467 63.5613 171.5562 38 P 4.1503 0.0000 0.0000 61.6951 32.8841 176.5597 39 C 4.3012 8.3560 118.6685 57.2059 40.4323 174.1589 40 K 4.1970 8.3332 126.0072 56.3706 31.9811 176.5168 41 D 4.6033 8.9083 126.9566 56.4278 40.4267 176.0269 42 I 5.0969 7.4875 116.7262 59.5195 41.3461 173.6806 43 N 5.0353 9.1830 126.6927 52.4514 42.7739 172.8130 44 T 4.7684 8.9846 122.8903 61.7650 71.3449 173.2512 45 F 4.9079 8.8823 124.5322 55.8418 41.8539 174.6772 46 I 4.6526 8.7101 123.7393 60.1324 39.2695 174.6182 47 H 5.4712 8.4382 122.6437 53.3123 31.6050 173.8614 48 G 4.1189 8.5600 103.8727 44.6397 0.0000 173.7190 49 N 4.8040 9.0948 121.6813 52.3138 39.9105 176.0441 50 K 3.8218 9.0986 129.3142 60.3648 32.3389 179.4686 51 R 4.0595 8.8360 121.3658 61.3623 29.0611 181.6245 52 S 4.4959 7.9097 113.2641 61.6012 63.2156 176.5724 53 I 3.8545 7.8858 122.0706 64.4847 36.9984 178.3375 54 K 3.8695 7.9260 118.6565 59.4823 31.9324 179.0379 55 A 4.1597 8.0123 119.8053 54.4067 18.0004 179.4716 56 I 3.8752 7.7216 118.1615 64.2173 36.8993 177.0769 57 C 4.5882 8.0098 115.6141 57.2333 38.8550 172.6667 58 E 4.7095 7.5981 122.3206 54.4865 32.1956 177.2441 59 N 4.5082 8.7249 118.6671 55.4619 37.9549 175.8148 60 K 4.1715 8.2957 117.4550 58.1368 31.8562 182.6981 61 N 5.2057 8.0437 115.9797 52.4500 40.4494 173.5541 62 G 4.6485 8.0723 101.3528 44.9361 0.0000 172.5012 63 N 5.3162 8.8777 117.9286 50.1964 42.4075 172.6190 64 P 4.7069 0.0000 0.0000 63.2742 32.6214 175.5357 65 H 4.7549 9.0686 122.3470 55.0033 33.2077 173.0023 66 R 3.4273 8.6924 124.7248 57.8890 29.3639 177.5514 67 E 4.1753 8.9568 122.6814 59.9394 29.5427 177.6498 68 N 4.9973 7.9182 111.4099 52.4223 38.4779 173.2375 69 L 4.9872 7.9348 118.3707 53.6662 45.5616 175.3415 70 R 5.1168 9.0841 118.4856 54.4957 34.1925 174.6587 71 I 4.9542 8.4002 122.1379 58.9786 40.8032 175.0622 72 S 4.8104 8.7436 124.0140 58.6021 63.3580 174.4966 73 K 4.3008 8.7710 122.0598 59.0600 32.4295 178.1433 74 S 4.4013 8.2274 113.0414 57.4942 64.2256 173.6530 75 S 4.5521 7.8971 117.2732 57.8325 64.1455 173.6020 76 F 5.0353 8.6473 120.7409 55.4191 42.9735 174.6696 77 Q 4.9439 9.0809 121.0499 56.5775 29.6630 175.7992 78 V 4.9664 9.0302 116.1067 60.0070 36.9068 174.5769 79 T 5.0617 8.7359 118.0897 61.9596 72.1999 172.8244 80 A 4.7873 9.0057 129.0531 50.7742 21.2503 174.9885 81 C 5.2480 9.2231 123.0229 55.9205 42.9575 173.6426 82 K 5.2668 8.7970 128.0756 52.8450 34.3840 171.9330 83 L 3.8255 8.8648 128.3290 54.6507 42.4943 175.4856 *84 H 4.6215 8.9562 127.4234 55.7474 31.0517 175.2023 85 G 3.9458 9.0116 110.9390 44.8756 0.0000 173.3818 86 G 3.6663 8.2251 106.9924 47.6254 0.0000 174.5337 87 S 4.4198 7.8123 114.2605 57.0426 63.2386 171.5696 88 P 4.4251 0.0000 0.0000 62.3326 31.4798 175.0246 89 W 5.0954 7.4588 118.1624 54.1377 31.5926 173.9667 90 P 4.5335 0.0000 0.0000 62.0935 31.4295 174.4213 91 P 4.3845 0.0000 0.0000 62.7460 32.0297 176.6087 92 C 4.4189 8.6492 119.8183 55.9365 38.0141 172.8862 93 Q 4.5527 8.2160 124.5468 55.0698 29.9020 174.6748 94 Y 5.2209 8.5093 120.6716 56.2131 41.6739 175.1595 95 R 4.9519 9.0862 120.9305 54.4881 33.0776 174.8202 96 A 5.2056 9.1575 125.8167 51.0430 20.9016 176.7488 97 T 4.5868 8.9514 117.6163 61.6934 71.8856 173.2625 98 A 4.7728 8.8054 128.8127 51.5844 20.1703 176.1561 99 G 4.2950 9.2228 107.5969 45.3490 0.0000 171.6296 100 F 5.7959 8.8819 121.9660 57.5822 41.1598 172.9743 101 R 4.4182 8.0346 121.9260 54.9136 32.5645 173.7031 102 N 5.1552 8.6493 116.9195 53.1602 38.3670 174.5772 103 V 4.6359 8.8112 112.4094 59.6045 36.1349 174.6734 104 V 4.8039 8.2178 121.9277 61.4279 33.7977 174.8963 105 V 5.0464 8.7761 119.7555 59.5809 36.3170 174.0083 106 A 5.0042 8.7995 123.5883 50.6995 21.1642 175.4199 107 C 5.3423 8.6555 118.1173 55.1714 42.5213 173.3780 108 E 4.5375 9.0087 122.4594 55.9453 32.2422 175.1762 109 N 4.0361 10.0289 123.9389 54.3482 36.2946 175.2217 110 G 3.9169 8.5413 104.2372 45.1822 0.0000 173.7657 111 L 4.5350 7.4298 119.6594 51.4795 44.8408 174.2187 112 P 4.5279 0.0000 0.0000 63.0733 31.6022 176.7994 113 V 4.6039 8.1411 113.5738 61.0043 33.8282 175.1257 114 H 4.9655 7.7757 119.8609 54.9285 33.3702 171.4592 115 L 4.9678 8.4379 127.5225 53.3354 43.6741 174.9760 116 D 4.5510 8.6967 127.0938 53.9729 41.3838 175.8025 117 Q 4.7023 8.7455 124.8707 55.8971 29.0322 177.9706 118 S 4.2036 8.4602 115.1734 60.9433 63.0817 176.1718 119 I 3.7443 7.3945 112.5624 62.1176 37.6149 176.1479 120 F 4.7422 7.5429 118.6664 57.2824 39.4486 175.8054 121 R 4.0671 7.6129 123.0103 56.1249 29.6896 177.4660 *122 R 4.1415 8.4623 120.7435 56.3660 30.0991 171.9609 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 D 8.35 4.63 0.00 2.44 2.51 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 3 N 8.22 4.54 0.00 3.03 3.01 0.00 0.00 6.09 6.84 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 4 S 9.39 4.17 0.00 4.09 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 0.00 5 R 8.01 4.05 0.00 1.93 2.09 0.00 3.15 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 6 Y 8.31 4.49 0.00 2.99 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 7 T 7.81 3.66 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 1.29 0.00 0.00 8 H 8.39 4.10 0.00 3.33 3.56 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.25 4.11 0.00 3.27 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.81 3.96 0.00 1.78 1.68 0.37 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.58 3.88 4.30 0.00 0.00 0.00 0.00 0.00 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 12 Q 7.69 3.98 0.00 1.47 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 13 H 7.91 4.66 0.00 2.09 2.61 0.00 5.56 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.06 5.21 0.00 2.81 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.72 4.19 0.00 2.61 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 3.64 1.27 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 17 K 7.33 4.66 0.00 1.72 1.56 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 0.98 7.81 18 P 0.00 4.54 0.00 1.50 1.73 0.00 3.54 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 1.60 1.10 0.00 *19 Q 8.73 4.05 0.00 2.09 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 20 G 9.05 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 21 R 8.09 4.04 0.00 1.60 1.70 0.00 2.80 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.94 0.00 22 D 7.28 4.89 0.00 2.83 2.82 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 23 D 8.82 4.45 0.00 2.75 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.07 3.98 0.00 1.88 2.01 0.00 3.15 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 25 Y 8.15 4.02 0.00 3.12 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 26 C 7.99 3.88 0.00 3.20 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 27 E 8.24 4.02 0.00 2.05 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 0.00 2.65 2.59 0.00 28 S 7.84 4.15 0.00 3.87 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 29 I 7.47 3.42 0.92 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.97 -0.17 0.00 0.00 30 M 7.77 3.98 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.39 0.00 31 R 7.53 3.88 0.00 2.05 1.96 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 32 R 7.66 3.86 0.00 1.90 2.00 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 33 R 7.96 4.36 0.00 1.84 1.95 0.00 3.59 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 34 G 7.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.11 4.76 0.00 1.90 1.60 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.07 4.67 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 1.30 0.00 0.00 37 S 7.80 4.49 0.00 4.29 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 38 P 0.00 4.15 0.00 1.41 0.49 0.00 3.69 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 1.70 1.66 0.00 39 C 8.36 4.30 0.00 2.71 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 40 K 8.33 4.20 0.00 1.77 1.74 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 41 D 8.91 4.60 0.00 2.76 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 42 I 7.49 5.10 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.88 0.95 0.00 0.00 43 N 9.18 5.04 0.00 2.67 2.31 0.00 0.00 6.92 6.83 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 44 T 8.98 4.77 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 0.32 0.00 0.00 45 F 8.88 4.91 0.00 2.92 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 46 I 8.71 4.65 1.89 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 1.11 0.65 0.77 0.00 0.00 47 H 8.44 5.47 0.00 3.07 3.17 0.00 5.58 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.56 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 49 N 9.09 4.80 0.00 2.85 2.86 0.00 0.00 6.56 6.64 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 50 K 9.10 3.82 0.00 1.79 1.78 0.00 1.36 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.01 7.81 51 R 8.84 4.06 0.00 1.82 1.92 0.00 3.32 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 52 S 7.91 4.50 0.00 4.30 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 53 I 7.89 3.85 2.05 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 1.29 1.17 1.00 0.00 0.00 54 K 7.93 3.87 0.00 1.91 1.80 0.00 1.57 0.00 0.00 1.37 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.47 7.81 55 A 8.01 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.72 3.88 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.49 0.92 0.00 0.00 57 C 8.01 4.59 0.00 3.01 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 58 E 7.60 4.71 0.00 2.01 1.81 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 2.18 2.18 0.00 59 N 8.72 4.51 0.00 2.74 2.74 0.00 0.00 6.51 7.44 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 60 K 8.30 4.17 0.00 1.76 1.77 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.02 7.81 61 N 8.04 5.21 0.00 2.87 2.78 0.00 0.00 6.94 7.78 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 62 G 8.07 4.65 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 0.00 0.00 0.00 63 N 8.88 5.32 0.00 2.65 2.69 0.00 0.00 7.30 7.93 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 64 P 0.00 4.71 0.00 1.94 1.98 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 65 H 9.07 4.75 0.00 3.17 3.11 0.00 5.93 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.69 3.43 0.00 2.08 1.33 0.00 3.37 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 67 E 8.96 4.18 0.00 1.92 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 2.29 2.33 0.00 68 N 7.92 5.00 0.00 2.73 2.79 0.00 0.00 5.85 7.79 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 69 L 7.93 4.99 0.00 1.96 1.66 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 70 R 9.08 5.12 0.00 1.63 1.86 0.00 3.22 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 71 I 8.40 4.95 1.62 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.78 0.95 0.00 0.00 72 S 8.74 4.81 0.00 4.18 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 73 K 8.77 4.30 0.00 1.89 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.39 7.81 74 S 8.23 4.40 0.00 3.73 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 75 S 7.90 4.55 0.00 2.92 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 76 F 8.65 5.04 0.00 3.02 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 77 Q 9.08 4.94 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.66 2.41 0.00 78 V 9.03 4.97 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 0.88 0.00 0.00 1.00 0.00 0.00 79 T 8.74 5.06 4.49 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 1.34 0.00 0.00 80 A 9.01 4.79 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 81 C 9.22 5.25 0.00 2.78 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 82 K 8.80 5.27 0.00 1.43 1.65 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.22 7.81 83 L 8.86 3.83 0.00 1.75 1.59 0.40 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *84 H 8.96 4.62 0.00 3.12 2.86 0.00 7.33 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.01 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 G 8.23 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 87 S 7.81 4.42 0.00 3.88 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 88 P 0.00 4.43 0.00 1.58 1.98 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 89 W 7.46 5.10 0.00 3.35 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 90 P 0.00 4.53 0.00 2.13 2.07 0.00 4.05 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 91 P 0.00 4.38 0.00 2.18 2.07 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 92 C 8.65 4.42 0.00 3.06 2.79 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 93 Q 8.22 4.55 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 94 Y 8.51 5.22 0.00 2.85 2.82 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 95 R 9.09 4.95 0.00 1.75 1.85 0.00 3.30 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 96 A 9.16 5.21 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.95 4.59 4.30 0.00 0.00 0.00 0.00 0.00 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 98 A 8.81 4.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 9.22 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.88 5.80 0.00 2.96 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 0.00 101 R 8.03 4.42 0.00 1.84 1.98 0.00 3.01 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 102 N 8.65 5.16 0.00 2.90 2.85 0.00 0.00 5.77 7.68 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 0.00 103 V 8.81 4.64 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 0.86 0.00 0.00 0.80 0.00 0.00 104 V 8.22 4.80 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 1.07 0.00 0.00 0.73 0.00 0.00 105 V 8.78 5.05 2.00 0.00 0.00 0.00 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 0.86 0.00 0.00 106 A 8.80 5.00 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 0.00 107 C 8.66 5.34 0.00 2.78 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 0.00 108 E 9.01 4.54 0.00 1.87 1.70 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 2.17 2.25 0.00 109 N 10.03 4.04 0.00 2.80 2.79 0.00 0.00 7.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.54 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 0.00 111 L 7.43 4.54 0.00 1.50 1.06 0.70 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.53 0.00 0.80 1.76 0.00 3.37 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 1.98 1.85 0.00 113 V 8.14 4.60 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 0.68 0.00 0.00 0.98 0.00 0.00 114 H 7.78 4.97 0.00 3.25 3.12 0.00 5.83 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 0.00 115 L 8.44 4.97 0.00 1.64 1.22 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.70 4.55 0.00 2.76 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 0.00 117 Q 8.75 4.70 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 118 S 8.46 4.20 0.00 3.99 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 0.00 119 I 7.39 3.74 1.50 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.36 0.74 0.00 0.00 120 F 7.54 4.74 0.00 3.10 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 0.00 121 R 7.61 4.07 0.00 2.03 1.92 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 *122 R 8.46 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.