NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2600 8.2644 123.5804 52.3290 19.7496 176.4392 2 S 4.0604 8.5693 114.7270 57.5981 62.2344 172.1986 3 A 3.9430 7.3610 129.2346 49.8889 17.7649 177.2342 4 A 5.3883 6.6921 133.0928 51.6149 22.0500 176.9855 5 K 4.2271 7.3911 122.0194 57.2918 34.5345 174.3320 6 G 3.9346 7.4873 105.3574 46.4566 0.0000 174.0964 7 D 4.2314 8.4127 117.4210 57.8815 42.5974 178.2884 8 H 4.0777 7.8221 110.9327 58.0149 28.4060 176.0983 9 G 3.7224 8.5916 112.3854 47.2015 0.0000 173.5089 10 G 4.0349 7.2882 106.0840 43.1961 0.0000 171.3198 *12 G 3.8023 8.1311 107.0583 44.8520 0.0000 173.5468 13 A 4.1336 8.6574 119.6088 55.4415 18.1148 179.6471 14 R 3.9201 8.1414 116.5276 59.9608 30.0682 178.7924 15 T 3.9478 7.8596 114.9792 66.4944 68.5438 176.8161 16 W 3.9636 8.0105 120.3231 59.4025 28.9743 178.7170 17 R 3.8361 8.3608 119.0203 59.1883 29.5259 177.8802 18 F 4.5114 8.4297 120.6750 61.9383 39.2597 177.2814 19 L 3.8182 7.9710 118.0745 57.5888 41.2789 179.4332 20 T 3.7692 8.0647 116.1570 66.6316 68.1794 176.1741 21 F 4.8142 8.0358 117.4280 58.8447 39.5016 177.5876 22 G 4.0628 8.4106 103.6338 44.8195 0.0000 173.6969 23 L 4.4836 7.5695 119.8989 56.2192 44.5320 178.1010 24 A 3.9667 8.2726 120.1395 55.2153 18.3511 179.5591 25 L 3.9541 8.2074 117.5994 57.6304 41.7066 177.9694 26 P 4.2977 0.0000 0.0000 65.7653 31.0984 178.8342 27 S 4.0869 7.9159 113.5772 61.4646 62.7334 176.7422 28 V 3.5203 7.7735 120.6705 65.9816 31.2698 177.6783 29 A 4.0329 8.1212 120.4394 55.2919 18.0765 179.6474 30 L 3.9149 8.1421 117.3137 58.3182 41.9044 179.5622 31 C 4.0414 8.2579 116.7396 62.9403 27.8777 176.4760 32 T 3.6004 8.4033 117.7536 66.9818 67.8857 176.0050 33 L 3.7887 7.7068 119.9295 58.7711 42.1534 177.9705 34 N 4.2849 8.4022 117.3164 57.0062 39.2380 177.0341 35 S 4.1000 7.7965 115.8437 60.6597 63.0810 175.7704 36 W 5.2575 7.9886 120.4508 56.2427 29.7292 176.8863 37 L 4.7290 7.8679 116.9464 55.5133 45.6028 175.1746 38 H 5.0010 8.0762 113.6701 55.7386 30.2175 175.9776 39 S 4.5581 8.1217 119.0930 57.7748 62.7321 170.7975 40 G 3.7993 8.9304 118.1371 44.7620 0.0000 172.7117 41 H 4.1777 8.7546 121.8281 56.6005 29.1912 175.4112 42 R 4.3564 8.3918 122.8457 54.7836 31.1910 175.9544 43 E 3.9895 8.6269 122.2109 55.8802 30.0236 176.9668 44 R 4.0353 8.5105 123.5491 55.7352 29.9834 174.6092 45 P 4.6052 0.0000 0.0000 61.3347 32.7093 175.4666 46 A 4.0907 8.5385 122.0239 52.8287 18.7177 177.0076 47 F 4.5313 8.8568 123.2607 57.2737 40.3176 175.0463 48 I 3.9450 7.2213 128.0924 58.6055 40.1758 174.7020 49 P 4.0922 0.0000 0.0000 61.2061 30.6125 176.3481 50 Y 4.2377 7.0854 116.3558 59.9917 38.6687 178.0424 51 H 4.5476 9.0334 120.2312 57.4583 29.2848 175.5931 52 H 4.7347 8.2181 113.6048 55.2654 28.9694 174.2650 53 L 4.6791 7.0445 118.2271 53.2316 45.0161 175.8377 54 R 3.8391 8.5531 116.0286 57.4876 27.4481 177.3831 55 I 3.9568 7.4814 116.6960 61.7099 38.1313 177.7213 56 R 4.3877 8.0167 122.8981 55.0310 31.1172 174.5566 57 T 4.1913 7.9626 111.6018 62.4433 69.9971 175.9069 58 K 4.4331 7.2890 121.8050 54.0566 35.1824 173.5836 59 P 4.2071 0.0000 0.0000 62.1825 32.0891 176.2780 60 F 4.0914 8.0417 119.7003 57.7245 39.2391 175.5150 61 S 5.0757 7.7853 116.0676 57.8304 63.3955 174.1829 62 W 5.1069 7.3290 115.1603 55.9469 31.3997 174.7457 63 G 3.8711 8.6341 107.1959 47.0661 0.0000 174.2103 64 D 4.5764 8.8698 125.5157 53.2534 39.6719 177.8541 65 G 4.0417 8.5299 108.1979 46.0304 0.0000 174.3961 66 N 5.0957 8.6226 115.5703 53.0417 40.1878 173.3210 67 H 4.9012 8.0137 113.9887 54.4887 31.6289 174.0342 68 T 3.6540 8.2175 113.5278 61.0339 69.5838 175.1928 69 F 3.8910 8.9517 124.2139 60.4078 39.5439 175.7401 70 F 4.8041 8.1634 118.4011 56.4888 39.5363 175.0875 71 H 4.0216 7.9419 119.7669 56.9492 30.1980 173.5094 72 N 4.8813 8.4711 124.1736 51.0327 40.3436 172.9349 73 P 4.4938 0.0000 0.0000 65.4176 31.8435 178.0500 74 R 3.9757 8.0286 117.6363 58.6212 29.9754 177.4272 75 V 4.3919 7.7370 107.1549 60.6322 33.8603 174.8702 76 N 4.9309 8.7091 117.8728 50.6494 38.8852 172.8459 77 P 4.3004 0.0000 0.0000 61.8273 32.4661 176.2362 78 L 4.3319 8.0639 120.3358 53.3945 42.4265 176.4364 79 P 4.2919 0.0000 0.0000 65.9150 31.1698 177.7224 80 T 4.0751 7.5895 105.5949 61.2043 69.3229 172.9201 81 G 2.0000 7.0546 108.5745 43.6664 0.0000 173.1335 82 Y 4.5161 7.5336 115.9193 57.9124 38.3838 175.9707 83 E 4.4488 8.5022 121.0896 55.0545 30.9631 177.0667 84 K 4.0386 8.6867 119.0086 57.2552 32.0930 176.9758 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 4.26 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 2 S 8.57 4.06 0.00 3.89 3.85 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 3 A 7.36 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.69 5.39 1.32 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 0.00 0.00 5 K 7.39 4.23 0.00 1.61 1.52 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.36 7.81 6 G 7.49 3.93 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 0.00 0.00 0.00 7 D 8.41 4.23 0.00 2.69 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 7.82 4.08 0.00 3.22 3.74 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.59 3.72 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 0.00 0.00 0.00 10 G 7.29 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 *12 G 8.13 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 13 A 8.66 4.13 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 8.14 3.92 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 15 T 7.86 3.95 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 0.81 0.00 0.00 16 W 8.01 3.96 0.00 3.51 3.34 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 17 R 8.36 3.84 0.00 2.07 2.18 0.00 3.25 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 18 F 8.43 4.51 0.00 3.20 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 19 L 7.97 3.82 0.00 1.78 1.55 0.01 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.06 3.77 3.88 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 0.79 0.00 0.00 21 F 8.04 4.81 0.00 3.15 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 22 G 8.41 4.06 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 0.00 0.00 0.00 23 L 7.57 4.48 0.00 1.57 1.67 0.88 1.24 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 24 A 8.27 3.97 1.33 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 0.00 0.00 25 L 8.21 3.95 0.00 1.83 1.83 1.14 1.29 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 26 P 0.00 4.30 0.00 2.17 2.14 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 27 S 7.92 4.09 0.00 4.11 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 28 V 7.77 3.52 2.26 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 1.04 0.00 0.00 0.99 0.00 0.00 29 A 8.12 4.03 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 30 L 8.14 3.91 0.00 1.88 1.71 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.26 4.04 0.00 2.89 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 8.40 3.60 4.39 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 1.35 0.00 0.00 33 L 7.71 3.79 0.00 1.96 1.86 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.40 4.28 0.00 2.65 2.88 0.00 0.00 7.42 7.87 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 35 S 7.80 4.10 0.00 3.64 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 36 W 7.99 5.26 0.00 3.13 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 37 L 7.87 4.73 0.00 1.87 1.72 0.98 1.06 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 38 H 8.08 5.00 0.00 3.18 3.28 0.00 5.90 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.12 4.56 0.00 4.22 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 0.00 40 G 8.93 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 41 H 8.75 4.18 0.00 3.17 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.39 4.36 0.00 1.84 1.88 0.00 3.25 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 43 E 8.63 3.99 0.00 1.94 1.88 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 2.29 2.25 0.00 44 R 8.51 4.04 0.00 1.92 1.84 0.00 2.27 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 45 P 0.00 4.61 0.00 2.30 2.16 0.00 4.00 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 2.11 2.05 0.00 46 A 8.54 4.09 1.33 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 0.00 0.00 47 F 8.86 4.53 0.00 2.83 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 48 I 7.22 3.94 0.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 -0.08 0.00 0.00 49 P 0.00 4.09 0.00 2.07 2.16 0.00 3.40 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 50 Y 7.09 4.24 0.00 2.89 2.71 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 0.00 0.00 0.00 51 H 9.03 4.55 0.00 3.22 3.40 0.00 5.69 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 52 H 8.22 4.73 0.00 3.27 3.41 0.00 5.47 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.04 4.68 0.00 1.67 1.60 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.55 3.84 0.00 1.95 2.01 0.00 3.46 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 55 I 7.48 3.96 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 1.45 0.76 0.90 0.00 0.00 56 R 8.02 4.39 0.00 1.66 1.67 0.00 3.17 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 57 T 7.96 4.19 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 1.18 0.00 0.00 58 K 7.29 4.43 0.00 1.60 1.53 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.37 7.81 59 P 0.00 4.21 0.00 1.96 1.85 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 60 F 8.04 4.09 0.00 2.25 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 7.79 5.08 0.00 4.16 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 7.33 5.11 0.00 3.47 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 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 64 D 8.87 4.58 0.00 2.79 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 8.53 4.04 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 0.00 0.00 0.00 66 N 8.62 5.10 0.00 2.63 2.89 0.00 0.00 6.93 7.50 0.00 0.00 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 8.01 4.90 0.00 3.14 3.17 0.00 5.95 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.22 3.65 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 1.32 0.00 0.00 69 F 8.95 3.89 0.00 2.82 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 70 F 8.16 4.80 0.00 3.08 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 71 H 7.94 4.02 0.00 3.34 3.33 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 8.47 4.88 0.00 2.76 2.67 0.00 0.00 7.22 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 73 P 0.00 4.49 0.00 2.10 2.32 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 74 R 8.03 3.98 0.00 1.90 1.91 0.00 3.25 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 75 V 7.74 4.39 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 0.82 0.00 0.00 1.03 0.00 0.00 76 N 8.71 4.93 0.00 2.77 2.87 0.00 0.00 7.00 7.89 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 77 P 0.00 4.30 0.00 1.75 0.64 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 78 L 8.06 4.33 0.00 1.72 1.56 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.29 0.00 2.05 2.16 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 80 T 7.59 4.08 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 1.18 0.00 0.00 81 G 7.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 4.52 0.00 2.98 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 8.50 4.45 0.00 2.04 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 2.33 2.40 0.00 84 K 8.69 4.04 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.