NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 T 4.3522 8.1744 110.9465 61.9144 69.9865 173.2467 -2 Y 4.1067 8.4637 123.2799 58.0241 39.6699 174.4791 -1 Q 4.1682 7.7095 118.1219 55.4856 30.6198 173.0793 -2 C 4.1067 8.6637 121.5799 58.3241 29.8699 173.1792 -1 L 4.1682 7.5495 120.1219 54.8856 43.6198 174.6793 3 K 4.4555 8.4086 123.0191 56.2094 33.0545 177.1166 4 G 3.7455 8.0923 109.2183 47.6849 0.0000 174.3500 5 T 4.3750 8.0540 113.6013 61.1769 70.7049 175.6897 6 G 3.7779 7.9338 109.4126 46.6742 0.0000 172.1912 7 E 4.2579 7.6201 119.9587 57.7964 30.7011 178.3450 8 N 5.0818 7.7221 116.6876 52.5626 37.4944 175.8752 9 Y 3.9683 7.9817 113.9593 61.6626 38.4907 176.5083 10 R 4.0696 5.8400 118.6245 57.1963 33.3617 177.3300 11 G 3.9543 6.4939 104.0354 46.3067 0.0000 172.4393 12 N 4.2989 6.6962 114.6397 53.8709 40.0866 175.3626 13 V 3.6944 7.6629 115.8188 62.0782 32.2419 176.6028 14 A 5.1814 8.6009 129.7152 51.7122 19.7434 175.0908 15 V 4.4458 7.6601 117.4853 62.3825 34.6077 175.1072 16 T 4.3263 8.3177 117.1395 61.1509 69.3038 174.5938 17 V 3.7095 8.9424 121.8181 64.5632 31.5090 176.7777 18 S 4.6044 7.6179 116.1034 57.0496 64.4271 174.0865 19 G 3.9091 8.2228 108.2993 46.8288 0.0000 173.0479 20 H 4.7723 8.0281 117.6405 54.4866 30.6298 175.1956 21 T 4.3560 8.4616 120.0887 63.4569 69.6204 174.2976 22 C 4.6698 8.3767 124.8350 56.7910 40.5386 173.6234 23 Q 4.1368 9.1468 127.6715 55.8985 29.5634 175.9484 24 H 4.1389 8.8537 122.7406 55.8486 29.4197 176.6653 25 W 4.3724 8.3794 123.5144 59.7309 29.0045 177.8979 26 S 4.3170 8.2327 110.7620 59.4088 63.0586 173.5780 27 A 4.4937 7.6473 125.1967 51.3294 19.1383 176.7211 28 Q 4.5025 8.6248 121.2217 55.9099 29.1132 175.2673 29 T 4.7384 7.4122 113.9662 60.8996 72.4569 172.2546 30 P 4.2989 0.0000 0.0000 65.8349 31.5343 176.4879 31 H 4.7331 8.4864 116.8896 54.5985 29.3921 176.3499 32 T 4.4167 8.6280 120.2541 60.6810 65.5228 172.8975 33 H 4.9057 7.9183 119.9358 54.1877 30.9496 175.5189 34 N 4.7515 8.6095 117.2111 53.7753 38.6701 175.1436 *36 R 5.1522 7.8952 117.8628 56.3884 30.4730 174.5629 37 T 5.0946 7.8472 111.3321 58.5410 71.8915 174.1922 38 P 4.4333 0.0000 0.0000 64.6025 31.2298 176.7184 39 E 4.3754 7.6517 117.6131 57.0667 30.1898 176.4301 40 N 4.6044 8.6122 115.6384 53.8838 41.0200 175.3073 41 F 4.8148 7.6168 114.7020 55.4609 39.7824 173.7650 42 P 4.2425 0.0000 0.0000 65.4236 31.9456 178.5322 43 S 4.4438 8.0176 109.8779 58.6030 62.1762 173.9696 44 K 4.3466 7.6543 116.3365 55.7673 33.3283 175.5269 45 N 4.1007 7.6488 115.6442 54.4545 35.9729 176.3628 46 L 3.6915 7.1635 119.9024 53.7274 40.7103 175.8411 47 D 4.5652 7.8264 120.6288 54.0635 44.0267 177.3484 48 E 3.8073 9.3811 123.9954 57.1068 28.3329 176.2543 49 N 4.4100 8.6234 115.0950 53.9178 39.3295 174.9733 50 Y 4.7175 7.7802 116.5283 59.0233 38.3341 176.6574 51 C 4.8385 9.2199 121.7968 58.0244 35.5695 173.5759 52 R 4.5472 8.6267 123.6542 54.4633 32.8804 174.7837 53 N 4.8851 7.8212 115.3720 52.0162 37.2950 172.2979 54 P 4.0214 0.0000 0.0000 65.4394 32.2622 178.3858 55 D 3.9913 8.0528 117.6816 55.1243 41.7595 176.4565 56 G 3.9917 8.5294 105.7781 46.0346 0.0000 171.5476 57 K 4.3050 9.4832 120.7945 55.1795 35.1183 177.9655 *59 R 4.2662 8.5116 113.0199 56.3996 31.0762 174.7485 60 A 4.9365 7.8043 118.9367 49.7256 22.3649 173.5573 61 P 4.7764 0.0000 0.0000 63.3414 32.3808 175.6791 62 W 6.0541 9.2064 119.9122 56.0549 31.9329 170.6356 63 C 4.4120 9.7212 114.5459 55.0615 43.6260 171.8965 64 H 5.4239 7.9333 115.8460 54.5514 30.3990 175.1492 65 T 4.6352 9.0152 114.6360 61.1398 70.2964 175.2969 66 T 4.1952 8.5503 113.3674 62.3335 68.8868 173.8557 67 N 5.0399 7.9580 118.3804 52.3153 41.1694 174.7632 68 S 4.5639 8.4065 113.5988 58.9159 63.1777 175.3439 69 Q 4.1854 8.1416 118.6742 58.8986 28.7343 176.6011 70 V 4.5180 7.2683 114.1277 59.4395 35.7286 174.4317 71 R 3.5588 8.6868 122.6857 57.5436 28.6124 177.2622 72 W 5.3767 8.8115 110.2627 55.6736 31.2945 177.0997 73 E 4.4234 9.3911 119.2125 54.8834 33.8824 174.9918 74 Y 5.2543 8.4291 120.2610 58.3044 39.8999 174.9788 75 C 5.3287 9.1472 117.6445 55.3736 43.6800 175.2243 76 K 4.2156 8.8588 125.0250 55.5210 30.5889 175.3885 77 I 4.3085 7.7119 124.9673 59.4689 38.6923 174.8204 78 P 4.5682 0.0000 0.0000 63.6998 32.4753 175.5353 79 S 4.3759 8.0970 114.6022 59.0004 65.3737 176.4948 80 C 4.3533 9.1095 123.6887 59.2909 40.9276 174.5525 81 D 4.5917 7.6977 121.5036 53.0593 39.2194 176.4983 82 S 4.3291 7.6266 118.3104 58.7698 62.9722 174.8958 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 -3 T 8.17 4.35 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 -2 Y 8.46 4.11 0.00 2.99 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 -1 Q 7.71 4.17 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.30 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 -2 C 8.66 4.11 0.00 2.89 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 -1 L 7.55 4.17 0.00 1.61 1.67 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.41 4.46 0.00 1.93 1.92 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 4 G 8.09 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.05 4.37 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 1.32 0.00 0.00 6 G 7.93 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 0.00 0.00 0.00 7 E 7.62 4.26 0.00 2.01 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 2.32 2.31 0.00 8 N 7.72 5.08 0.00 2.91 2.92 0.00 0.00 6.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.98 3.97 0.00 3.12 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 10 R 5.84 4.07 0.00 1.19 1.66 0.00 3.22 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 1.43 1.55 0.00 11 G 6.49 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 12 N 6.70 4.30 0.00 2.71 2.68 0.00 0.00 6.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.66 3.69 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 0.95 0.00 0.00 1.00 0.00 0.00 14 A 8.60 5.18 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 15 V 7.66 4.45 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 1.11 0.00 0.00 0.95 0.00 0.00 16 T 8.32 4.33 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 17 V 8.94 3.71 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 0.85 0.00 0.00 0.96 0.00 0.00 18 S 7.62 4.60 0.00 4.16 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.22 3.91 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 0.00 0.00 0.00 20 H 8.03 4.77 0.00 3.18 3.22 0.00 5.82 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 21 T 8.46 4.36 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 1.19 0.00 0.00 22 C 8.38 4.67 0.00 2.92 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 23 Q 9.15 4.14 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 24 H 8.85 4.14 0.00 3.23 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.38 4.37 0.00 3.28 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 26 S 8.23 4.32 0.00 4.01 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 27 A 7.65 4.49 1.42 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 28 Q 8.62 4.50 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 29 T 7.41 4.74 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 1.20 0.00 0.00 30 P 0.00 4.30 0.00 1.97 2.11 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 31 H 8.49 4.73 0.00 3.33 3.32 0.00 5.65 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 32 T 8.63 4.42 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 1.25 0.00 0.00 33 H 7.92 4.91 0.00 3.38 3.15 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.61 4.75 0.00 2.91 2.97 0.00 0.00 6.97 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 *36 R 7.90 5.15 0.00 2.19 1.84 0.00 3.38 0.00 0.00 4.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.07 0.00 37 T 7.85 5.09 4.33 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 1.37 0.00 0.00 38 P 0.00 4.43 0.00 2.21 2.36 0.00 3.94 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 2.04 2.17 0.00 39 E 7.65 4.38 0.00 2.07 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 2.29 2.28 0.00 40 N 8.61 4.60 0.00 3.01 2.60 0.00 0.00 6.98 7.70 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 41 F 7.62 4.81 0.00 2.91 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 42 P 0.00 4.24 0.00 2.15 2.08 0.00 3.53 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 2.07 2.19 0.00 43 S 8.02 4.44 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.65 4.35 0.00 1.86 1.62 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.69 7.81 45 N 7.65 4.10 0.00 2.89 3.07 0.00 0.00 7.10 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.16 3.69 0.00 1.42 1.48 -0.27 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.83 4.57 0.00 2.59 2.30 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 48 E 9.38 3.81 0.00 1.16 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 49 N 8.62 4.41 0.00 2.59 2.30 0.00 0.00 5.82 7.61 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 50 Y 7.78 4.72 0.00 3.16 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 51 C 9.22 4.84 0.00 3.01 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.63 4.55 0.00 1.01 1.49 0.00 3.54 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.49 0.00 53 N 7.82 4.89 0.00 2.87 2.66 0.00 0.00 7.24 8.10 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 54 P 0.00 4.02 0.00 1.03 1.44 0.00 2.76 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.00 55 D 8.05 3.99 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 56 G 8.53 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 57 K 9.48 4.30 0.00 2.23 2.10 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 0.57 7.81 *59 R 8.51 4.27 0.00 1.99 2.24 0.00 3.02 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.00 60 A 7.80 4.94 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 61 P 0.00 4.78 0.00 2.08 2.10 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 62 W 9.21 6.05 0.00 3.77 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.72 4.41 0.00 2.37 3.12 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 64 H 7.93 5.42 0.00 3.00 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 9.02 4.64 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 66 T 8.55 4.20 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 67 N 7.96 5.04 0.00 2.76 2.83 0.00 0.00 6.83 7.52 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 68 S 8.41 4.56 0.00 3.82 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.14 4.19 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 70 V 7.27 4.52 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 0.55 0.00 0.00 0.75 0.00 0.00 71 R 8.69 3.56 0.00 1.84 1.72 0.00 3.25 0.00 0.00 3.43 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.49 0.00 72 W 8.81 5.38 0.00 3.81 3.05 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 73 E 9.39 4.42 0.00 1.83 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 1.99 2.23 0.00 74 Y 8.43 5.25 0.00 2.96 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 75 C 9.15 5.33 0.00 2.90 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 76 K 8.86 4.22 0.00 1.73 1.77 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.45 7.81 77 I 7.71 4.31 1.79 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 1.07 0.00 0.00 78 P 0.00 4.57 0.00 1.92 2.01 0.00 3.77 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 2.15 2.13 0.00 79 S 8.10 4.38 0.00 3.68 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 80 C 9.11 4.35 0.00 2.95 3.12 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 81 D 7.70 4.59 0.00 2.66 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 82 S 7.63 4.33 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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.