NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3758 8.2893 118.1972 54.6575 32.4938 174.6907 2 V 3.5466 8.2779 122.5060 61.9313 30.4315 174.1621 3 K 5.1483 8.8569 128.1805 55.1319 35.8210 176.5265 4 I 4.9424 7.9684 119.9472 60.2117 41.0024 175.0277 5 R 4.4194 9.5102 123.6399 56.5134 33.9655 172.0209 6 L 5.0884 7.9856 119.0315 55.7150 44.6650 175.3225 7 A 4.2069 8.4116 111.5619 51.9588 20.1687 175.2319 8 R 2.6665 7.2931 119.2715 55.5813 30.2955 174.7868 9 F 5.3606 8.9174 128.5925 56.7894 42.0629 174.9563 10 G 4.0944 8.6459 110.0168 46.2912 0.0000 172.5483 11 S 4.5222 8.1488 115.9762 56.1159 65.1172 173.3903 12 K 3.7272 8.1678 121.9842 58.6443 31.6055 175.9291 13 H 4.1008 9.5184 125.3888 55.9914 24.6830 174.7012 14 N 4.5627 7.5572 107.7125 51.5435 40.5852 172.3039 15 P 4.3880 0.0000 0.0000 63.8186 32.6017 177.1847 16 H 4.5844 8.3801 120.0711 55.2465 32.3006 172.8178 17 Y 4.4201 8.6006 121.0102 56.9927 40.1655 175.1976 18 R 4.7904 8.1935 120.3522 54.2972 32.5042 174.5932 19 I 4.0612 8.3205 128.6439 62.2662 38.1015 175.7413 20 V 4.8265 9.4197 126.9004 60.3915 35.2692 173.2046 21 V 4.6778 7.9404 122.1116 60.8274 33.3350 175.2457 22 T 4.6928 7.8175 113.0126 61.1146 71.7248 172.6960 23 D 4.6093 8.2359 119.5741 53.6969 42.2846 178.0397 24 A 4.0898 8.5013 126.2330 55.4611 18.4575 179.1736 25 R 4.1927 9.4883 112.6107 57.1286 30.3011 177.1950 26 R 4.2168 7.2591 116.7092 55.3026 30.7712 176.2310 27 K 4.3048 8.1283 119.3434 55.4387 33.7814 175.8463 28 R 3.6202 7.9500 117.0760 61.0784 29.9739 177.0211 29 D 4.7330 8.0489 115.6142 54.6029 40.7370 176.9696 30 G 3.7980 7.9328 109.3571 44.9338 0.0000 175.0446 31 K 4.0448 8.2832 120.8777 55.9567 30.2205 175.0113 32 Y 4.2594 8.0984 122.6932 56.5904 38.6547 176.4512 33 I 3.8766 8.5154 125.5745 64.0670 37.5795 175.8913 34 E 4.7410 8.1597 122.1335 54.7011 33.2315 173.4023 35 K 4.3811 9.0742 129.2313 56.2000 32.7160 176.1359 36 I 4.4162 8.3618 118.9573 61.5904 40.7160 174.6548 37 G 4.1132 7.9093 108.4633 46.8591 0.0000 171.2351 38 Y 5.3742 7.1941 115.9243 57.0390 42.3941 172.9248 39 Y 5.2143 8.3653 115.2921 57.4680 43.3041 172.5505 40 D 4.5114 8.8744 127.4128 51.6327 40.4769 174.6392 41 P 4.2948 0.0000 0.0000 63.9151 31.2123 177.4391 42 R 4.2348 8.8122 117.5297 55.5052 30.7841 176.1501 43 K 3.8616 8.4510 117.4913 57.3480 30.3498 175.6768 44 T 4.2515 7.7414 105.6675 62.1784 68.4013 174.1310 45 T 4.7080 7.9505 118.1950 61.5149 71.8806 172.2228 46 P 4.2303 0.0000 0.0000 65.3201 31.0781 175.5802 47 D 4.3350 7.8307 116.8614 51.9335 44.4349 174.0506 48 W 4.6681 7.1997 122.6653 55.8321 27.6992 178.8512 49 L 5.0596 10.2991 114.3727 55.0220 42.6761 175.0703 50 K 4.3339 8.5634 124.1508 55.8590 35.3514 173.8535 51 V 4.5318 8.4693 127.4027 60.4146 34.1422 175.2403 52 D 4.6523 8.2110 126.0228 56.8006 40.1081 178.4644 53 V 3.3453 6.9756 117.0131 64.1500 32.1500 178.0176 54 E 3.8817 7.9983 117.8771 60.0622 29.7119 179.6376 55 R 3.9897 8.5843 118.0175 58.7058 30.2116 178.8722 56 A 4.1433 7.8922 119.8625 55.6305 18.6520 179.1891 57 R 3.7579 8.1727 116.5044 60.0932 29.9668 177.9344 58 Y 3.9033 7.8163 119.1044 60.1299 38.8753 178.0394 59 W 4.6238 8.2168 118.6609 60.2084 29.2069 178.5123 60 L 4.1277 8.2946 118.8946 57.4414 40.6196 179.1606 61 S 4.1865 8.3312 113.8349 60.0875 63.0461 174.9675 62 V 4.0233 7.0821 115.9619 60.6339 32.3778 173.9292 63 G 3.8066 8.7051 114.4168 45.6471 0.0000 173.5696 64 A 4.9500 8.6758 124.7539 51.3427 21.5382 176.9910 65 Q 3.5449 7.2072 111.2814 55.9875 25.9742 174.4297 66 P 4.6903 0.0000 0.0000 62.6146 32.3980 176.7142 67 T 3.9831 8.4042 115.4489 64.1459 69.4533 175.2406 68 D 4.4169 8.8387 123.8475 58.0837 40.7162 179.2391 69 T 3.8095 7.8163 111.2215 64.9092 67.5145 175.6018 70 A 4.0685 7.8744 122.4134 54.9954 18.4580 179.0415 71 R 3.9414 8.9834 118.3020 59.9180 30.0211 177.9327 72 R 3.8341 7.8237 117.6252 59.6825 29.8912 178.1150 73 L 3.9930 7.2961 115.9765 56.3961 41.9889 178.2639 74 L 4.5094 7.9370 119.2208 56.6425 42.6704 178.2960 75 R 4.1379 8.1318 117.8880 59.8573 29.8743 178.1147 76 Q 3.6155 8.6824 117.2648 58.1436 29.0972 176.9857 77 A 4.4338 8.2104 120.3235 51.8188 19.8059 176.4791 78 G 3.6138 8.8878 105.7601 46.3795 0.0000 174.8028 79 V 3.8577 7.2167 118.7460 64.3661 32.5180 176.7713 80 F 4.0333 8.9883 120.5187 61.0678 39.4348 175.8646 81 R 3.5511 6.7972 118.8997 55.1694 29.7282 175.4046 82 Q 4.4008 8.7341 122.1853 55.1728 28.4985 175.0156 83 E 3.6792 7.6418 117.3515 57.8906 28.6480 174.2678 *84 A 4.1104 7.6836 125.8061 52.5740 18.9361 176.3215 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 M 8.29 4.38 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 2 V 8.28 3.55 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 0.87 0.00 0.00 0.99 0.00 0.00 3 K 8.86 5.15 0.00 1.77 1.80 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.45 7.81 4 I 7.97 4.94 1.86 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 1.30 0.94 0.88 0.00 0.00 5 R 9.51 4.42 0.00 1.71 1.93 0.00 2.74 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 6 L 7.99 5.09 0.00 1.80 2.11 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.41 4.21 0.73 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 0.00 0.00 8 R 7.29 2.67 0.00 1.15 1.59 0.00 3.03 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 1.32 1.01 0.00 9 F 8.92 5.36 0.00 3.16 2.75 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 10 G 8.65 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 0.00 0.00 0.00 11 S 8.15 4.52 0.00 3.84 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 12 K 8.17 3.73 0.00 1.63 1.69 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.92 1.30 7.81 13 H 9.52 4.10 0.00 3.38 3.46 0.00 5.80 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.56 4.56 0.00 2.62 2.83 0.00 0.00 7.27 7.69 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 15 P 0.00 4.39 0.00 2.03 1.92 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 16 H 8.38 4.58 0.00 3.10 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.60 4.42 0.00 3.00 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 18 R 8.19 4.79 0.00 1.84 1.65 0.00 3.14 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 19 I 8.32 4.06 1.96 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 1.32 0.86 0.88 0.00 0.00 20 V 9.42 4.83 1.71 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 0.64 0.00 0.00 0.90 0.00 0.00 21 V 7.94 4.68 1.59 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 -0.16 0.00 0.00 0.26 0.00 0.00 22 T 7.82 4.69 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 1.28 0.00 0.00 23 D 8.24 4.61 0.00 2.71 2.56 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 24 A 8.50 4.09 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 25 R 9.49 4.19 0.00 1.71 1.99 0.00 3.17 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 1.67 1.60 0.00 26 R 7.26 4.22 0.00 1.89 1.88 0.00 3.15 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 27 K 8.13 4.30 0.00 1.87 1.85 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.38 7.81 28 R 7.95 3.62 0.00 1.86 1.81 0.00 3.18 0.00 0.00 3.34 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 29 D 8.05 4.73 0.00 2.77 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 30 G 7.93 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 0.00 0.00 0.00 31 K 8.28 4.04 0.00 1.68 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.25 7.81 32 Y 8.10 4.26 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 33 I 8.52 3.88 1.78 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 1.17 0.70 0.65 0.00 0.00 34 E 8.16 4.74 0.00 2.03 1.59 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 2.38 2.78 0.00 35 K 9.07 4.38 0.00 1.62 1.81 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.28 7.81 36 I 8.36 4.42 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 1.03 0.00 0.00 37 G 7.91 4.11 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 0.00 0.00 0.00 38 Y 7.19 5.37 0.00 3.19 3.17 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 0.00 0.00 0.00 0.00 39 Y 8.37 5.21 0.00 3.22 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 40 D 8.87 4.51 0.00 2.69 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 41 P 0.00 4.29 0.00 2.10 1.87 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 42 R 8.81 4.23 0.00 1.84 1.97 0.00 3.30 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 43 K 8.45 3.86 0.00 1.95 2.07 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.95 0.95 7.81 44 T 7.74 4.25 4.28 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 1.32 0.00 0.00 45 T 7.95 4.71 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 1.27 0.00 0.00 46 P 0.00 4.23 0.00 2.13 2.22 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 47 D 7.83 4.34 0.00 2.48 2.49 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 0.00 48 W 7.20 4.67 0.00 3.82 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 49 L 10.30 5.06 0.00 2.07 2.53 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.56 4.33 0.00 2.24 1.71 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.42 7.81 51 V 8.47 4.53 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 0.85 0.00 0.00 0.93 0.00 0.00 52 D 8.21 4.65 0.00 2.81 2.56 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 53 V 6.98 3.35 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 0.76 0.00 0.00 0.93 0.00 0.00 54 E 8.00 3.88 0.00 1.93 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 0.00 2.32 2.39 0.00 55 R 8.58 3.99 0.00 2.09 2.16 0.00 3.34 0.00 0.00 3.50 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 56 A 7.89 4.14 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 57 R 8.17 3.76 0.00 2.05 2.00 0.00 3.29 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 58 Y 7.82 3.90 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 59 W 8.22 4.62 0.00 3.66 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.13 0.00 1.74 1.67 0.68 0.61 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 61 S 8.33 4.19 0.00 3.84 4.15 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 0.00 0.00 0.00 0.00 62 V 7.08 4.02 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 0.43 0.00 0.00 0.85 0.00 0.00 63 G 8.71 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 64 A 8.68 4.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.21 3.54 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 66 P 0.00 4.69 0.00 2.23 2.14 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 67 T 8.40 3.98 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 1.20 0.00 0.00 68 D 8.84 4.42 0.00 2.67 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 69 T 7.82 3.81 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 1.18 0.00 0.00 70 A 7.87 4.07 1.39 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 0.00 0.00 71 R 8.98 3.94 0.00 2.02 2.18 0.00 3.13 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 72 R 7.82 3.83 0.00 1.89 2.09 0.00 3.08 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 73 L 7.30 3.99 0.00 1.68 1.65 0.02 0.75 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 74 L 7.94 4.51 0.00 2.31 1.81 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.13 4.14 0.00 1.62 1.99 0.00 3.07 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 76 Q 8.68 3.62 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 77 A 8.21 4.43 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 78 G 8.89 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 79 V 7.22 3.86 2.23 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 0.45 0.00 0.00 0.99 0.00 0.00 80 F 8.99 4.03 0.00 2.97 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 81 R 6.80 3.55 0.00 1.86 1.90 0.00 3.24 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 82 Q 8.73 4.40 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.03 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 83 E 7.64 3.68 0.00 2.14 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 0.00 2.23 2.24 0.00 *84 A 7.68 4.11 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 * Residues marked with a * may have inaccurate shift predictions.