NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6429 8.1476 118.3363 54.9086 33.7423 173.6292 2 V 3.8994 8.2268 118.2163 61.4746 32.6271 173.9959 3 K 5.1368 10.3827 124.4864 54.6430 36.9848 176.2892 4 I 4.8746 8.4777 122.6425 59.8670 39.6648 175.2040 5 R 4.8439 8.9453 123.4572 54.8206 33.5837 173.7017 6 L 4.9161 8.3615 118.5952 54.0026 42.9046 176.4647 7 A 4.9573 8.5960 124.0658 49.9443 21.8981 175.5546 8 R 4.2319 9.2565 122.1781 56.5749 30.4033 176.3903 9 F 4.5466 9.1885 121.6561 56.3046 41.3205 175.6160 10 G 4.5572 8.5052 114.3615 44.4345 0.0000 177.0165 11 S 4.3921 8.5797 119.4094 56.5517 65.0682 174.2778 12 K 3.6675 8.6367 121.5059 58.6069 31.7719 175.6983 13 H 4.1868 9.0122 120.9112 56.6040 27.0562 174.9353 14 N 5.0078 8.6252 117.5161 51.5239 38.7345 172.0430 15 P 4.5171 0.0000 0.0000 63.4588 33.1177 177.9465 16 H 4.5236 8.1799 118.8495 55.3766 32.7293 172.6365 17 Y 5.8364 8.9084 121.9354 56.3869 40.9008 174.9923 18 R 5.0143 8.4138 118.6473 54.2588 33.4615 175.3572 19 I 4.1914 8.2780 125.8842 61.4912 38.1637 175.5612 20 V 4.5135 9.0556 126.7646 60.9438 35.3999 174.0271 21 V 4.3506 8.0663 126.8702 62.0561 32.8129 174.5880 22 T 4.6347 8.4403 120.7787 60.8969 71.5884 171.7930 23 D 4.6986 8.5625 124.8800 54.0582 41.9225 177.0195 24 A 4.0480 8.3564 128.3433 55.4349 18.5337 179.3507 25 R 4.0636 9.0527 114.3267 58.1362 30.3395 177.1965 26 R 4.1513 7.4597 117.9582 55.1375 30.6322 175.6088 27 K 4.3202 8.2617 121.4314 56.4397 33.3309 177.1309 28 R 4.1686 8.5000 115.0952 58.5638 29.7142 177.0122 29 D 5.0049 8.0651 116.2811 53.9160 41.3206 176.8762 30 G 3.8938 7.7858 109.8820 44.2183 0.0000 173.2050 31 K 3.7214 8.5716 121.8595 56.9379 31.5739 176.8272 32 Y 4.6497 7.5647 124.6190 55.9088 39.6220 175.6173 33 I 4.0496 8.5517 121.3977 64.0240 37.8601 176.4078 34 E 4.9953 7.9388 119.0764 55.5159 32.7150 174.6728 35 K 4.4859 8.9920 126.4313 54.7307 33.9045 175.8376 36 I 4.6602 9.0898 118.5433 59.3856 40.2049 174.8806 37 G 4.0815 7.4977 109.6682 47.6113 0.0000 170.9555 38 Y 5.4726 7.3478 116.1236 56.3146 41.6597 173.4618 39 Y 5.4851 9.3165 121.6330 56.6292 42.9978 172.9963 40 D 4.8639 9.3102 127.3349 51.6579 42.4467 174.7655 41 P 4.2012 0.0000 0.0000 63.7059 31.4525 177.2155 42 R 4.1541 8.0597 117.5235 55.5418 31.1236 176.4737 43 K 3.8315 7.5677 118.2681 57.6889 29.6138 175.5204 44 T 4.2451 8.3635 107.1555 62.2833 69.6455 174.9948 45 T 4.7723 7.4619 115.5777 59.8142 70.4960 172.0854 46 P 4.5874 0.0000 0.0000 65.0457 31.9397 176.1724 47 D 4.8144 8.0367 120.6811 53.2325 40.4704 175.9507 48 W 4.8859 7.7307 115.1715 56.8909 30.1460 176.9227 49 L 4.7726 7.0753 122.2683 54.2176 44.4325 174.2468 50 K 4.3838 8.1873 126.5930 54.7457 35.9541 174.8979 51 V 4.5893 7.8800 125.4102 60.7837 34.7235 175.5413 52 D 4.6414 8.9911 129.3087 53.3283 39.8304 177.2074 53 V 3.4194 7.4257 123.0191 64.5940 31.8968 178.2374 54 E 4.0318 7.8165 121.1975 57.6255 29.4940 178.4407 55 R 3.9791 8.8778 117.3752 59.5376 30.5613 178.4649 56 A 4.0696 8.4980 120.5957 55.4524 18.2970 179.4964 57 R 3.8083 7.7511 115.5440 60.1197 30.0211 177.9042 58 Y 4.0797 7.9114 116.8706 61.2294 38.8131 178.0502 59 W 3.8862 8.2899 118.6995 59.7337 29.2179 178.4153 60 L 4.2070 8.1258 119.0428 58.1174 40.8582 179.8643 61 S 4.1532 8.0277 113.0777 60.5456 62.7862 175.9677 62 V 4.2106 7.3563 114.5388 60.9244 31.9864 176.6113 63 G 3.9946 7.7767 106.6103 44.6491 0.0000 174.4202 64 A 4.4025 7.8902 121.8665 52.2351 19.1919 176.9245 65 Q 4.7377 8.9698 121.9325 53.4896 31.1484 173.3419 66 P 5.1783 0.0000 0.0000 61.8910 33.2239 175.9715 67 T 4.0341 8.4850 118.5555 63.8579 69.4920 175.3454 68 D 4.3301 8.7444 122.8740 58.0310 40.9835 179.3228 69 T 3.8194 7.8381 115.5523 66.2594 68.4510 176.5538 70 A 3.8754 7.7439 122.3655 55.1172 18.5247 179.2961 71 R 3.9703 8.4723 117.6138 59.5925 30.0846 178.3922 72 R 3.8779 8.1009 118.3947 59.6033 30.0709 178.4303 73 L 3.8352 7.6484 118.1212 57.8612 41.6283 179.4101 74 L 3.8873 8.4604 119.1519 57.7741 41.0940 179.8403 75 R 4.0984 8.2399 118.5293 59.6685 29.9971 178.1521 76 Q 3.9342 7.9924 117.6324 59.0660 28.9781 177.6783 77 A 4.2260 7.8184 119.3405 52.2749 19.0746 177.9779 78 G 3.8371 9.0868 107.1113 45.4097 0.0000 176.0145 79 V 3.4070 7.5996 120.8848 64.5628 31.4266 176.7924 80 F 4.8244 7.6904 115.5122 57.0658 40.1336 175.8428 81 R 4.1763 7.3695 120.4047 56.7837 30.5643 175.3109 82 Q 4.2210 8.2364 118.6688 57.3520 31.2127 176.5679 83 E 3.7166 8.0162 114.4346 55.4659 28.6300 174.3067 *84 A 4.1104 8.3155 120.9015 52.6853 18.9361 176.6366 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 8.15 4.64 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 2 V 8.23 3.90 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 0.85 0.00 0.00 0.90 0.00 0.00 3 K 10.38 5.14 0.00 1.62 1.78 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.49 7.81 4 I 8.48 4.87 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.85 0.00 0.00 5 R 8.95 4.84 0.00 1.76 1.97 0.00 2.76 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 6 L 8.36 4.92 0.00 1.33 1.39 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.60 4.96 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 0.00 0.00 0.00 0.00 0.00 8 R 9.26 4.23 0.00 1.94 1.91 0.00 3.25 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 9 F 9.19 4.55 0.00 3.02 3.06 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 10 G 8.51 4.56 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 0.00 11 S 8.58 4.39 0.00 3.92 3.90 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 12 K 8.64 3.67 0.00 1.66 1.73 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.04 1.34 7.81 13 H 9.01 4.19 0.00 3.35 3.35 0.00 5.70 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 14 N 8.63 5.01 0.00 2.70 2.72 0.00 0.00 6.97 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 15 P 0.00 4.52 0.00 1.71 1.88 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 16 H 8.18 4.52 0.00 3.09 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.91 5.84 0.00 3.21 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 18 R 8.41 5.01 0.00 1.42 1.47 0.00 2.21 0.00 0.00 2.85 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.00 19 I 8.28 4.19 1.79 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.51 0.83 0.00 0.00 20 V 9.06 4.51 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 0.85 0.00 0.00 0.01 0.00 0.00 21 V 8.07 4.35 1.31 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 -0.45 0.00 0.00 -0.17 0.00 0.00 22 T 8.44 4.63 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 1.20 0.00 0.00 23 D 8.56 4.70 0.00 2.78 2.53 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 24 A 8.36 4.05 1.31 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 0.00 0.00 25 R 9.05 4.06 0.00 1.94 2.01 0.00 3.18 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 26 R 7.46 4.15 0.00 1.79 1.86 0.00 3.36 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 27 K 8.26 4.32 0.00 1.92 1.85 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.56 7.81 28 R 8.50 4.17 0.00 2.01 2.14 0.00 3.14 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 29 D 8.07 5.00 0.00 2.66 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 30 G 7.79 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 0.00 0.00 0.00 31 K 8.57 3.72 0.00 1.69 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 32 Y 7.56 4.65 0.00 3.24 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 33 I 8.55 4.05 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.91 0.00 0.00 34 E 7.94 5.00 0.00 2.16 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 0.00 2.22 2.30 0.00 35 K 8.99 4.49 0.00 1.78 1.72 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.20 7.81 36 I 9.09 4.66 1.89 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 1.05 1.08 1.01 0.00 0.00 37 G 7.50 4.08 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 0.00 38 Y 7.35 5.47 0.00 3.21 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 39 Y 9.32 5.49 0.00 3.05 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 40 D 9.31 4.86 0.00 2.83 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 41 P 0.00 4.20 0.00 2.19 1.89 0.00 3.16 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 1.83 1.97 0.00 42 R 8.06 4.15 0.00 1.79 1.88 0.00 3.21 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 43 K 7.57 3.83 0.00 1.44 1.03 0.00 1.06 0.00 0.00 1.14 0.00 0.00 2.24 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.36 4.25 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 1.25 0.00 0.00 45 T 7.46 4.77 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 1.41 0.00 0.00 46 P 0.00 4.59 0.00 2.31 2.27 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 47 D 8.04 4.81 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.89 0.00 3.89 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 49 L 7.08 4.77 0.00 1.06 0.72 0.85 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.19 4.38 0.00 1.23 0.74 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.48 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.10 1.21 7.81 51 V 7.88 4.59 1.94 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 0.73 0.00 0.00 0.76 0.00 0.00 52 D 8.99 4.64 0.00 2.69 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 7.43 3.42 1.99 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 0.60 0.00 0.00 0.85 0.00 0.00 54 E 7.82 4.03 0.00 2.08 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 2.36 2.45 0.00 55 R 8.88 3.98 0.00 2.16 2.21 0.00 3.39 0.00 0.00 3.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.16 0.00 56 A 8.50 4.07 1.28 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 0.00 0.00 0.00 57 R 7.75 3.81 0.00 2.13 2.01 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 58 Y 7.91 4.08 0.00 2.96 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 59 W 8.29 3.89 0.00 3.48 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 60 L 8.13 4.21 0.00 1.87 1.78 0.87 0.80 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 61 S 8.03 4.15 0.00 3.93 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 62 V 7.36 4.21 1.91 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 0.46 0.00 0.00 0.21 0.00 0.00 63 G 7.78 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 64 A 7.89 4.40 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 65 Q 8.97 4.74 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 66 P 0.00 5.18 0.00 2.12 2.09 0.00 3.82 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 2.00 2.15 0.00 67 T 8.48 4.03 4.20 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 1.19 0.00 0.00 68 D 8.74 4.33 0.00 2.66 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 69 T 7.84 3.82 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 1.11 0.00 0.00 70 A 7.74 3.88 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 71 R 8.47 3.97 0.00 1.88 2.19 0.00 3.02 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 72 R 8.10 3.88 0.00 1.98 2.05 0.00 3.15 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 73 L 7.65 3.84 0.00 1.73 1.47 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.46 3.89 0.00 1.96 1.51 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.24 4.10 0.00 2.28 2.16 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 1.74 1.91 0.00 76 Q 7.99 3.93 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 77 A 7.82 4.23 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 78 G 9.09 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.60 3.41 1.24 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 0.29 0.00 0.00 0.70 0.00 0.00 80 F 7.69 4.82 0.00 3.04 2.99 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 81 R 7.37 4.18 0.00 1.92 1.84 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.64 0.00 82 Q 8.24 4.22 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.74 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 83 E 8.02 3.72 0.00 2.13 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 2.20 2.24 0.00 *84 A 8.32 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.