NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3215 8.2644 123.5807 52.4245 19.7783 175.9556 2 S 4.2581 8.2735 110.1366 56.6917 64.4341 172.1814 3 A 3.7585 8.3838 127.8346 50.6114 16.2909 178.1271 4 A 5.6552 7.7256 134.1129 51.8696 21.7375 177.9627 5 K 4.4613 6.7748 115.7987 56.0607 31.1521 176.3946 6 G 3.6615 8.9650 122.7181 47.0631 0.0000 177.2467 7 D 3.3700 8.2081 114.6474 51.8491 43.6210 175.1448 8 H 3.9975 9.1745 118.8510 57.0356 28.4057 176.6512 9 G 3.4282 8.6987 107.2839 46.5884 0.0000 173.6284 10 G 3.7251 6.9325 105.5416 45.8896 0.0000 170.6818 *12 G 3.8749 7.5955 106.5484 45.3691 0.0000 172.7248 13 A 4.1151 8.7219 119.4105 55.3600 18.2771 179.9269 14 R 3.8954 8.0675 116.6116 59.9297 30.1751 178.6836 15 T 3.9063 7.9100 114.9085 66.6261 68.5344 176.6194 16 W 4.0281 8.2132 120.5831 59.3170 28.9676 178.6748 17 R 3.8411 8.2220 119.2521 59.0350 29.4486 178.0630 18 F 4.2916 8.3351 120.5911 61.5885 39.2909 177.2097 19 L 3.9463 8.1771 118.5384 57.7786 41.3385 179.6536 20 T 3.8009 7.8027 115.7988 66.8065 68.2185 176.6619 21 F 5.0343 8.0480 117.9586 59.6780 39.2298 177.6808 22 G 4.0789 8.5985 104.3154 45.4422 0.0000 173.5694 23 L 4.5109 7.6956 119.6725 56.2643 44.1418 177.7673 24 A 3.9853 8.2028 120.3964 55.3209 18.1915 179.4864 25 L 3.9962 8.6429 116.9351 57.5065 41.7732 178.1276 26 P 4.2845 0.0000 0.0000 65.7149 31.2880 178.7785 27 S 4.1114 8.1205 114.0243 61.6242 62.7370 176.9520 28 V 3.6040 7.8057 120.7087 65.7387 31.2445 177.9534 29 A 4.0249 8.2684 120.9204 55.1176 18.2078 179.6286 30 L 3.9287 8.1233 117.5856 58.3197 41.7563 179.6957 31 C 4.2103 8.1685 116.3545 62.8128 27.9485 176.3147 32 T 3.7750 7.9547 117.7981 66.0929 67.7665 176.5917 33 L 3.9621 7.6612 121.6874 58.0907 42.6372 177.8719 34 N 4.2698 8.4215 117.3142 56.9558 38.9279 176.9354 35 S 3.8195 7.8748 115.9797 60.9830 63.6035 175.9279 36 W 5.2556 7.6536 120.5514 55.4773 27.0156 175.4969 37 L 4.7862 7.3615 120.7482 57.1454 48.5815 175.6039 38 H 4.8026 8.0652 112.1885 56.1697 30.0099 177.2746 39 S 4.6024 7.2956 115.1936 56.1997 62.1827 173.9109 40 G 3.8309 9.2669 115.7427 44.5178 0.0000 172.4591 41 H 4.2981 8.7024 121.7909 56.1922 28.9754 175.3213 42 R 4.1966 8.4876 124.1859 55.0582 30.8268 175.9547 43 E 3.8957 8.8947 121.8971 56.4441 29.5933 177.3352 44 R 4.0196 8.5504 121.0739 55.6134 29.8150 174.9727 45 P 4.4624 0.0000 0.0000 61.9286 32.2165 175.9041 46 A 4.1583 8.5508 122.6134 52.6255 18.7419 177.4068 47 F 4.3860 8.9823 124.6571 58.0033 40.1927 174.7458 48 I 4.1475 6.9182 127.0925 58.8154 40.4287 175.2043 49 P 4.2202 0.0000 0.0000 61.7954 29.6754 176.7596 50 Y 4.2018 7.1236 116.4248 58.7617 38.6549 178.0454 51 H 4.4066 8.9419 120.8042 58.0946 29.1714 175.7983 52 H 4.6878 8.2645 113.0792 55.4794 28.9483 174.2569 53 L 4.7380 7.1081 118.7467 53.1805 44.9139 175.5520 54 R 3.8641 8.6105 115.3689 57.1353 27.6263 177.3978 55 I 3.8106 7.7406 116.6483 61.8381 37.7803 177.2289 56 R 4.2990 8.1898 123.1597 54.9566 31.3543 174.4111 57 T 4.3367 7.8756 111.8737 61.5209 70.3700 175.3652 58 K 4.2874 7.2297 120.8889 54.3017 35.0177 172.9959 59 P 4.2147 0.0000 0.0000 62.3482 32.1031 176.2369 60 F 3.8885 7.9511 119.5069 57.7376 39.1129 175.9944 61 S 4.5381 8.0355 119.1608 58.1356 62.8544 173.9269 62 W 5.2056 7.8625 116.1279 55.6425 31.8801 175.7571 63 G 3.7308 8.5146 108.4679 47.4507 0.0000 173.9804 64 D 4.5908 8.9110 124.4287 52.7469 39.7316 177.8404 65 G 3.8039 8.4395 108.3186 46.1704 0.0000 174.4438 66 N 4.9621 8.2258 115.8309 53.2823 39.8003 173.3849 67 H 4.8531 8.0391 114.4447 54.3682 31.0799 174.4192 68 T 3.5339 8.3483 114.0737 61.1342 69.4581 174.7184 69 F 3.0453 9.0346 124.9601 60.8341 39.3473 176.8436 70 F 4.7930 7.7783 117.0331 56.3290 39.2760 175.6808 71 H 4.0358 7.8647 119.6964 56.7363 30.3896 173.5651 72 N 4.8225 8.9422 125.0716 51.0240 39.7571 172.6188 73 P 4.2913 0.0000 0.0000 65.7957 31.7359 178.1200 74 R 4.0387 8.0311 117.2582 58.7131 29.9717 177.3938 75 V 4.4752 7.7845 106.8271 60.7582 33.6103 175.0321 76 N 4.8476 8.7192 118.2087 50.6090 38.3936 172.9269 77 P 4.2671 0.0000 0.0000 62.0926 32.3530 176.2751 78 L 4.4525 8.0124 120.2084 52.8539 42.8839 176.1963 79 P 4.2932 0.0000 0.0000 65.6889 31.1254 177.6391 80 T 4.1823 7.5458 105.4596 60.7576 69.3290 172.9086 81 G 2.0751 7.2408 108.6769 43.5385 0.0000 173.1652 82 Y 4.4034 7.6792 116.1904 58.0093 38.2956 176.3794 83 E 4.4201 8.5183 121.5169 55.1109 30.9137 177.0905 84 K 4.0663 8.6287 118.6593 57.2119 32.0784 177.0968 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 A 8.26 4.32 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 2 S 8.27 4.26 0.00 3.83 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 3 A 8.38 3.76 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 4 A 7.73 5.66 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 5 K 6.77 4.46 0.00 1.61 0.74 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.31 7.81 6 G 8.96 3.66 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 0.00 0.00 0.00 7 D 8.21 3.37 0.00 2.63 2.54 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 0.00 0.00 0.00 0.00 8 H 9.17 4.00 0.00 3.53 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.70 3.43 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 0.00 0.00 0.00 10 G 6.93 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 0.00 0.00 0.00 *12 G 7.60 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 0.00 0.00 0.00 13 A 8.72 4.12 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 14 R 8.07 3.90 0.00 1.93 1.99 0.00 3.21 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 15 T 7.91 3.91 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 0.77 0.00 0.00 16 W 8.21 4.03 0.00 3.46 3.28 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 17 R 8.22 3.84 0.00 2.03 2.17 0.00 3.20 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 18 F 8.34 4.29 0.00 3.30 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 19 L 8.18 3.95 0.00 1.80 1.61 -0.06 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.80 3.80 3.86 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 0.85 0.00 0.00 21 F 8.05 5.03 0.00 3.11 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 22 G 8.60 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 23 L 7.70 4.51 0.00 1.65 1.74 0.91 1.18 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 24 A 8.20 3.99 1.40 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 0.00 0.00 0.00 25 L 8.64 4.00 0.00 1.88 1.86 1.23 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.28 0.00 2.32 2.14 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 27 S 8.12 4.11 0.00 4.12 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 28 V 7.81 3.60 2.27 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 1.03 0.00 0.00 1.03 0.00 0.00 29 A 8.27 4.02 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 0.00 0.00 0.00 0.00 0.00 30 L 8.12 3.93 0.00 1.85 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.17 4.21 0.00 2.93 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 32 T 7.95 3.77 4.45 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 1.42 0.00 0.00 33 L 7.66 3.96 0.00 1.83 1.95 0.93 1.02 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 34 N 8.42 4.27 0.00 2.73 2.70 0.00 0.00 7.35 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 35 S 7.87 3.82 0.00 3.30 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 36 W 7.65 5.26 0.00 3.38 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 37 L 7.36 4.79 0.00 1.88 1.82 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.07 4.80 0.00 3.16 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.30 4.60 0.00 4.27 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 40 G 9.27 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 0.00 0.00 0.00 41 H 8.70 4.30 0.00 3.17 3.28 0.00 5.70 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 42 R 8.49 4.20 0.00 1.84 1.89 0.00 3.26 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 43 E 8.89 3.90 0.00 1.96 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 2.32 2.27 0.00 44 R 8.55 4.02 0.00 1.95 1.91 0.00 2.22 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.28 0.00 45 P 0.00 4.46 0.00 2.30 2.17 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 46 A 8.55 4.16 1.34 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 0.00 0.00 0.00 47 F 8.98 4.39 0.00 2.97 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 48 I 6.92 4.15 1.22 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 1.20 0.63 -0.07 0.00 0.00 49 P 0.00 4.22 0.00 1.92 2.13 0.00 3.35 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 50 Y 7.12 4.20 0.00 2.83 2.65 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 51 H 8.94 4.41 0.00 3.23 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.26 4.69 0.00 3.26 3.38 0.00 5.46 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 53 L 7.11 4.74 0.00 1.58 1.57 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.61 3.86 0.00 1.94 2.03 0.00 3.34 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 1.82 1.77 0.00 55 I 7.74 3.81 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.90 0.00 0.00 56 R 8.19 4.30 0.00 1.67 1.70 0.00 3.18 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 57 T 7.88 4.34 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 1.17 0.00 0.00 58 K 7.23 4.29 0.00 1.59 1.52 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.29 7.81 59 P 0.00 4.21 0.00 2.09 1.92 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 60 F 7.95 3.89 0.00 2.35 1.45 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 61 S 8.04 4.54 0.00 4.10 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 62 W 7.86 5.21 0.00 3.42 3.33 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 0.00 63 G 8.51 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 0.00 0.00 0.00 64 D 8.91 4.59 0.00 2.81 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 65 G 8.44 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 66 N 8.23 4.96 0.00 2.63 2.80 0.00 0.00 6.98 8.99 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 67 H 8.04 4.85 0.00 3.18 3.20 0.00 5.96 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.35 3.53 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 1.35 0.00 0.00 69 F 9.03 3.05 0.00 2.53 2.73 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 70 F 7.78 4.79 0.00 3.13 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 71 H 7.86 4.04 0.00 3.32 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.94 4.82 0.00 2.76 2.80 0.00 0.00 6.81 7.27 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 73 P 0.00 4.29 0.00 2.11 2.20 0.00 3.74 0.00 0.00 3.75 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 74 R 8.03 4.04 0.00 1.80 1.98 0.00 3.31 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 75 V 7.78 4.48 2.19 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 0.85 0.00 0.00 0.98 0.00 0.00 76 N 8.72 4.85 0.00 2.71 2.86 0.00 0.00 6.98 8.43 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 77 P 0.00 4.27 0.00 1.91 0.68 0.00 3.76 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 78 L 8.01 4.45 0.00 1.74 1.57 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.29 0.00 2.05 2.17 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 80 T 7.55 4.18 4.16 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 0.00 0.00 0.00 1.19 0.00 0.00 81 G 7.24 2.08 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 82 Y 7.68 4.40 0.00 2.94 2.85 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 83 E 8.52 4.42 0.00 2.04 1.93 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 2.33 2.43 0.00 84 K 8.63 4.07 0.00 1.73 1.75 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.