NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3585 8.3044 120.3472 54.4942 33.9433 175.0638 1 I 3.5757 7.2103 115.6916 59.3902 38.9556 171.6115 2 Q 4.3014 8.8097 130.3670 55.3952 30.0422 174.6174 3 R 4.7168 8.3709 124.7127 54.2737 33.4148 174.3913 4 T 4.1559 8.7496 118.3935 60.7085 68.0224 172.1910 5 P 4.6118 0.0000 0.0000 62.9449 32.4560 175.6109 6 K 4.6658 9.0610 121.5036 55.3188 34.3948 175.5941 7 I 5.1811 8.3066 123.1936 59.7098 40.6850 174.6054 8 Q 4.8132 9.5016 126.0196 54.0986 31.5071 174.6249 9 V 5.0212 8.7269 124.1761 61.3806 33.6699 173.9426 10 Y 5.3973 8.3334 125.0303 55.8984 41.7783 173.9672 11 S 4.8036 8.9590 114.9947 57.4732 64.4363 173.9482 12 R 3.9675 9.1981 124.0409 59.5019 29.6744 176.5589 13 F 5.1209 8.6390 116.0291 54.4414 41.6144 173.6543 14 P 4.3339 0.0000 0.0000 62.8556 31.3097 175.9927 15 A 4.1910 8.8713 123.5384 52.8833 18.5302 176.8078 16 E 4.5335 8.6611 122.5256 54.5285 31.6669 175.4118 17 N 4.7851 8.7456 122.3732 56.6661 38.1102 175.1419 18 G 4.0275 9.1756 113.7961 44.5856 0.0000 172.5589 19 K 4.5813 7.4415 118.9556 54.4703 34.8258 176.0153 20 S 4.2741 8.3593 117.2010 58.8441 63.4427 172.4191 21 N 5.0756 8.7280 123.2871 53.1305 43.0646 172.4049 22 F 5.4009 9.0509 117.0781 55.5733 43.2301 174.0545 23 L 4.6247 8.9081 124.6027 53.3606 44.1756 174.6585 24 N 5.3589 8.9093 123.9801 51.6668 41.3922 173.2256 25 C 5.1063 9.7177 123.2162 55.1276 45.5172 171.8359 26 Y 5.1765 9.2306 129.4595 56.3586 40.2488 174.2386 27 V 5.0912 8.6165 127.3751 61.1184 34.6776 174.3909 28 S 4.3758 8.5744 121.2584 56.8650 66.5873 173.2472 29 G 3.6380 6.0076 107.8506 46.5095 0.0000 171.9491 30 F 5.4314 8.8561 120.8782 57.0733 42.2008 173.5291 31 H 4.0668 9.3761 123.5062 55.2779 26.2021 172.9451 32 P 3.3638 0.0000 0.0000 65.6413 31.3765 177.4345 33 S 3.4959 8.3455 107.9953 59.7192 60.9143 170.7200 34 D 4.3072 7.8777 128.2989 55.7718 38.5311 174.0094 35 I 3.8940 7.1371 117.7817 61.3679 38.9645 174.8877 36 E 4.4814 8.7557 128.6969 54.9720 30.9624 174.9128 37 V 4.6120 8.0268 124.7609 60.9260 33.7314 174.4238 38 D 4.9241 9.0812 126.9716 52.4357 44.9688 174.4306 39 L 5.0465 8.4268 121.0609 53.2000 43.8820 175.7448 40 L 4.7217 9.0897 123.4971 52.7444 44.7725 175.5133 41 K 4.0148 8.5059 124.2567 55.2149 32.8992 176.0292 42 N 4.0032 8.6429 123.7590 54.7259 38.4474 175.0343 *46 I 3.8378 7.5762 116.9126 60.9974 37.8628 175.0509 47 E 4.4196 8.5673 123.2811 55.5013 31.4502 175.4165 48 K 3.9180 8.5828 114.4443 57.4181 29.2342 176.8583 49 V 3.9083 7.7210 111.1189 61.5788 32.3974 175.3011 50 E 4.7665 8.9818 122.6834 54.7503 33.4457 174.5292 51 H 5.0878 7.8419 115.3722 53.6759 31.7083 173.1407 52 S 4.5443 8.9085 115.9798 57.7454 64.1196 173.5091 53 D 4.4858 8.5036 119.7127 54.2771 41.1019 175.7788 54 L 4.3586 8.2712 123.5627 54.6900 42.9738 175.9384 55 S 4.8110 8.5229 122.9669 57.2154 64.7425 173.2411 56 F 5.5257 8.0671 117.3884 55.7064 41.1805 173.0295 57 S 4.5632 8.5427 113.9494 55.6305 65.7431 174.9209 58 K 3.7838 8.6775 119.3965 59.7719 31.5905 177.6514 59 D 4.7825 8.1314 114.6480 52.6934 39.7203 176.0110 60 W 3.7637 8.6951 119.2841 58.0009 27.3080 174.3062 61 S 4.6180 8.0797 112.9238 58.3534 63.4885 172.8068 62 F 5.6896 8.2821 116.7452 55.8465 41.7141 172.6116 63 Y 5.5488 8.6284 116.8527 55.1860 41.9466 173.5184 64 L 4.5600 7.6371 118.1788 54.2265 45.8153 172.6299 65 L 5.3213 8.6868 127.5067 53.6048 44.9250 174.3993 66 Y 5.2270 9.3895 124.4575 56.6025 40.6951 174.3693 67 Y 5.9590 8.8653 120.2418 56.6882 42.0106 173.4781 68 T 4.9577 8.4090 113.6967 60.8167 71.1914 172.0520 69 E 4.0209 8.5527 127.8117 55.7751 30.7363 175.2605 70 F 4.7744 8.5090 119.1325 56.4313 41.8297 173.0396 71 T 4.7486 8.6306 110.3874 57.9953 69.8684 171.8322 72 P 4.8016 0.0000 0.0000 63.1406 32.5865 175.6198 73 T 4.7983 8.3742 112.5846 61.3347 70.1079 173.6314 74 E 4.1577 8.9908 117.9867 59.3273 29.9092 178.6694 75 K 4.5740 7.8568 115.8272 56.3895 32.7537 175.8150 76 D 4.9021 8.1809 118.8796 52.7166 42.4938 175.3293 77 E 4.7800 9.4228 125.6796 54.6570 31.8464 174.1204 78 Y 5.4624 8.9057 123.4510 56.5335 41.8763 174.3593 79 A 5.1645 8.7954 122.4348 51.1260 23.8094 173.9674 80 C 5.3061 9.1833 119.4418 54.7849 43.6647 172.5378 81 R 5.1652 9.2045 126.8327 54.5110 32.5752 174.5109 82 V 4.8525 8.7750 125.6783 61.1713 34.9813 173.5578 83 N 5.3228 9.3567 125.4780 51.8989 40.8416 173.3887 84 H 5.1232 8.5239 121.6381 54.6144 33.4251 174.5369 85 V 3.6779 8.0969 115.8481 64.2165 31.5856 178.0941 86 T 4.0989 8.1356 110.2483 64.0747 69.1226 174.5967 87 L 4.5145 7.5777 122.7700 53.7476 42.3039 177.1981 88 S 4.3378 8.7481 118.6001 60.2484 63.6199 174.5051 89 Q 4.6201 7.6700 118.0853 52.4863 31.8211 173.0040 90 P 4.4332 0.0000 0.0000 63.3266 31.7941 175.5190 91 K 4.2905 8.7988 126.7659 55.8653 33.4430 175.2985 92 I 4.9643 8.4196 127.8605 59.4729 39.8302 174.9048 93 V 4.4347 8.6121 126.9101 60.9074 33.7794 175.2676 94 K 4.7799 8.8441 127.1568 56.0921 33.2488 175.9378 95 W 4.9807 8.9501 133.0184 56.0840 31.6863 175.7024 96 D 4.6548 8.4642 125.0414 52.8406 39.3918 176.4849 97 R 3.7837 5.8400 123.9667 56.4765 30.6952 175.3261 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 0 M 8.30 4.36 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 1 I 7.21 3.58 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.45 -0.01 0.00 0.00 2 Q 8.81 4.30 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 3 R 8.37 4.72 0.00 1.79 2.09 0.00 3.43 0.00 0.00 3.54 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 4 T 8.75 4.16 4.29 0.00 0.00 0.00 0.00 0.00 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 5 P 0.00 4.61 0.00 2.15 2.09 0.00 3.84 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 2.02 2.02 0.00 6 K 9.06 4.67 0.00 1.69 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 I 8.31 5.18 1.94 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 1.39 0.65 0.99 0.00 0.00 8 Q 9.50 4.81 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 9 V 8.73 5.02 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 0.97 0.00 0.00 1.07 0.00 0.00 10 Y 8.33 5.40 0.00 3.19 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 11 S 8.96 4.80 0.00 4.05 3.83 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 12 R 9.20 3.97 0.00 1.77 2.25 0.00 2.88 0.00 0.00 2.95 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 0.00 13 F 8.64 5.12 0.00 3.09 2.97 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 14 P 0.00 4.33 0.00 2.27 2.18 0.00 4.10 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 15 A 8.87 4.19 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.53 0.00 1.95 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 2.46 2.22 0.00 17 N 8.75 4.79 0.00 2.74 2.83 0.00 0.00 7.46 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 18 G 9.18 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 0.00 0.00 0.00 19 K 7.44 4.58 0.00 1.60 1.63 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.32 7.81 20 S 8.36 4.27 0.00 3.79 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 21 N 8.73 5.08 0.00 2.46 2.05 0.00 0.00 6.99 7.66 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 22 F 9.05 5.40 0.00 3.03 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 23 L 8.91 4.62 0.00 0.34 0.86 -0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.91 5.36 0.00 1.64 2.14 0.00 0.00 5.98 7.53 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 25 C 9.72 5.11 0.00 2.93 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 26 Y 9.23 5.18 0.00 3.29 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 27 V 8.62 5.09 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 1.10 0.00 0.00 1.01 0.00 0.00 28 S 8.57 4.38 0.00 3.74 3.76 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 29 G 6.01 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 0.00 0.00 0.00 30 F 8.86 5.43 0.00 3.10 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 31 H 9.38 4.07 0.00 3.45 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.36 0.00 1.79 1.30 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 33 S 8.35 3.50 0.00 3.92 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 34 D 7.88 4.31 0.00 2.74 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 35 I 7.14 3.89 2.02 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 1.24 1.04 0.82 0.00 0.00 36 E 8.76 4.48 0.00 1.94 1.80 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 2.20 2.19 0.00 37 V 8.03 4.61 0.67 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 0.34 0.00 0.00 0.76 0.00 0.00 38 D 9.08 4.92 0.00 2.47 2.43 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 0.00 0.00 0.00 39 L 8.43 5.05 0.00 1.48 1.54 0.88 0.88 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 40 L 9.09 4.72 0.00 1.52 1.51 0.92 0.38 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 41 K 8.51 4.01 0.00 1.70 1.64 0.00 2.06 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.09 0.75 7.81 42 N 8.64 4.00 0.00 2.84 2.86 0.00 0.00 7.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 I 7.58 3.84 1.99 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 1.52 0.50 0.92 0.00 0.00 47 E 8.57 4.42 0.00 2.07 1.96 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 2.21 2.31 0.00 48 K 8.58 3.92 0.00 1.94 1.98 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.45 7.81 49 V 7.72 3.91 2.17 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 0.73 0.00 0.00 0.99 0.00 0.00 50 E 8.98 4.77 0.00 1.16 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 2.07 2.06 0.00 51 H 7.84 5.09 0.00 2.27 1.66 0.00 5.53 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.91 4.54 0.00 3.90 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 53 D 8.50 4.49 0.00 2.68 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 54 L 8.27 4.36 0.00 1.64 1.62 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.52 4.81 0.00 2.72 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 56 F 8.07 5.53 0.00 2.82 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 57 S 8.54 4.56 0.00 3.96 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 58 K 8.68 3.78 0.00 1.76 1.97 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.40 7.81 59 D 8.13 4.78 0.00 2.95 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 60 W 8.70 3.76 0.00 3.67 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.62 0.00 3.56 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 62 F 8.28 5.69 0.00 3.25 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 63 Y 8.63 5.55 0.00 2.59 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 64 L 7.64 4.56 0.00 1.85 1.78 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.69 5.32 0.00 2.03 1.62 1.13 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.39 5.23 0.00 2.96 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 67 Y 8.87 5.96 0.00 3.04 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 68 T 8.41 4.96 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 1.06 0.00 0.00 69 E 8.55 4.02 0.00 1.40 1.58 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 1.99 1.68 0.00 70 F 8.51 4.77 0.00 2.97 2.78 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 71 T 8.63 4.75 4.14 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 1.10 0.00 0.00 72 P 0.00 4.80 0.00 2.41 2.55 0.00 3.42 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.74 0.00 73 T 8.37 4.80 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 1.26 0.00 0.00 74 E 8.99 4.16 0.00 2.02 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 2.35 2.30 0.00 75 K 7.86 4.57 0.00 1.76 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.46 7.81 76 D 8.18 4.90 0.00 2.91 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 77 E 9.42 4.78 0.00 1.96 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 0.00 2.23 2.30 0.00 78 Y 8.91 5.46 0.00 3.20 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 79 A 8.80 5.16 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 80 C 9.18 5.31 0.00 3.00 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 81 R 9.20 5.17 0.00 1.83 1.69 0.00 3.07 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 82 V 8.77 4.85 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 0.96 0.00 0.00 0.91 0.00 0.00 83 N 9.36 5.32 0.00 2.58 2.68 0.00 0.00 6.01 8.04 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 84 H 8.52 5.12 0.00 3.19 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.10 3.68 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 0.69 0.00 0.00 0.75 0.00 0.00 86 T 8.14 4.10 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 87 L 7.58 4.51 0.00 1.78 1.88 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.75 4.34 0.00 3.98 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 89 Q 7.67 4.62 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 90 P 0.00 4.43 0.00 2.06 2.21 0.00 3.76 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 1.99 1.97 0.00 91 K 8.80 4.29 0.00 1.93 1.74 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 92 I 8.42 4.96 1.89 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 0.93 0.93 0.00 0.00 93 V 8.61 4.43 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 1.14 0.00 0.00 0.98 0.00 0.00 94 K 8.84 4.78 0.00 1.75 1.81 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.49 7.81 95 W 8.95 4.98 0.00 3.30 3.42 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 96 D 8.46 4.65 0.00 2.71 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 97 R 5.84 3.78 0.00 1.45 1.72 0.00 3.42 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.