NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4795 8.3531 120.3251 52.5443 41.3044 175.8706 2 G 4.2898 8.2617 107.7573 45.2769 0.0000 174.3704 3 G 3.4168 9.3484 111.4795 47.8231 0.0000 173.2063 4 F 4.7332 7.8813 116.7143 57.4995 39.7236 177.8937 5 C 4.1791 8.2896 122.9545 59.9488 41.0580 175.6160 6 E 3.8876 8.0678 119.8365 59.3142 29.1145 179.5673 7 V 3.5017 7.7136 118.8355 64.6235 31.4719 178.6603 8 C 3.3801 7.8801 119.4040 59.3566 44.5812 175.9144 9 K 3.8594 7.8134 119.8547 59.1905 31.5709 179.6592 10 K 3.8979 7.8920 118.9872 59.1541 31.9240 179.2390 11 L 3.9830 8.1565 120.9882 58.3044 42.1330 179.1747 12 V 3.7815 8.2881 118.8101 65.8797 31.4297 178.0902 13 G 3.6549 8.3011 105.6658 47.9166 0.0000 174.9559 14 Y 3.9890 8.1598 121.8341 60.3741 38.8258 178.2215 15 L 3.8720 8.0391 119.8674 57.9431 41.5702 178.8281 16 D 4.3275 8.4052 116.8128 57.5163 41.0758 178.2853 17 R 4.0473 7.6349 117.3685 58.2361 30.4248 177.6756 18 N 4.5474 7.5172 113.3063 51.8108 39.6101 174.4883 19 L 4.3992 7.3061 125.5057 53.3905 43.3544 176.5349 *20 E 3.9950 8.7975 124.2961 57.2696 30.0320 174.8089 *21 K 4.5699 8.6923 125.4297 54.9117 31.9085 175.9811 *22 N 5.1397 7.7486 114.2780 52.8126 38.9005 179.2622 23 S 4.4793 7.5833 115.3250 59.9296 63.5008 175.3753 24 T 4.2371 9.3393 114.7921 61.2050 70.7203 176.0054 25 K 3.9401 8.5382 120.8138 59.7320 31.9514 179.6146 26 Q 4.0026 8.0149 117.8507 59.0770 28.7299 178.4487 27 E 3.9902 8.3294 119.5548 59.4355 29.3593 179.5863 28 I 3.7659 8.1701 120.3664 64.0313 37.1604 178.1202 29 L 3.9167 8.3379 121.4380 58.1658 41.5411 178.7721 30 A 4.0042 8.2073 120.5082 55.3508 18.2934 179.5330 31 A 4.1335 8.0966 119.1506 55.2251 18.2081 179.8627 32 L 4.0414 8.1716 117.2742 58.0232 41.7697 179.3106 33 E 4.1532 8.1451 117.3441 58.2043 29.6721 178.3022 34 K 4.5822 7.7058 116.1374 56.7077 33.3310 178.6217 35 G 3.7842 8.1799 106.8201 47.9914 0.0000 175.1664 36 C 4.3768 8.2830 118.5107 59.6487 40.0230 175.7822 37 S 3.8942 7.6333 114.0313 60.1079 62.7169 175.3860 38 F 4.4209 7.5322 119.9711 56.9325 39.2734 175.8227 39 L 4.3309 6.8120 118.5037 52.8713 42.6339 174.8836 40 P 4.4316 0.0000 0.0000 62.9547 32.1170 177.3114 41 D 4.4173 9.0320 121.7493 57.4809 40.5344 177.6883 42 P 4.2570 0.0000 0.0000 64.9244 31.6082 177.0811 43 Y 4.3923 8.1812 114.5002 58.0673 38.0823 177.1239 44 Q 3.9687 8.2064 122.1971 59.4363 29.3030 178.4021 45 K 4.0379 8.0065 118.9325 59.2112 32.1088 179.0790 46 Q 4.1457 8.1198 119.6109 59.4024 29.0066 178.6895 47 C 4.4734 8.9078 119.9407 59.7547 43.6512 175.1258 48 D 4.3546 8.4599 120.7744 57.4739 40.4697 178.6220 49 Q 3.9896 8.2866 119.8521 59.1186 29.0970 177.9335 50 F 3.4165 8.5144 121.9735 61.2227 39.4323 177.2686 51 V 3.1032 8.1045 117.8038 65.7382 31.0780 177.7862 52 A 3.9239 7.7093 119.5137 55.1745 18.2914 178.9619 53 E 3.9215 8.0227 116.7945 58.5339 29.9081 177.5798 54 Y 4.2687 7.5076 114.3011 57.2627 38.3967 176.8717 55 E 3.8163 7.7207 122.3687 59.0238 29.6983 177.1157 56 P 4.2260 0.0000 0.0000 65.8179 31.4903 179.0895 57 V 3.7454 7.6846 110.5394 64.0044 31.4467 178.5378 58 L 4.0331 8.2009 119.3117 57.8579 41.6144 179.5375 59 I 3.7031 7.8594 119.7591 64.3220 36.7962 178.1298 60 E 4.0172 7.8434 118.8143 59.1319 29.7380 178.2132 61 I 4.0400 7.8942 118.4549 63.5980 38.3052 177.7133 62 L 4.6657 8.1881 121.1807 56.9915 41.1697 179.6494 63 V 3.6308 7.3660 110.6337 63.3762 31.4059 177.2087 64 E 4.5027 8.0185 117.3483 56.5931 31.4301 176.6602 65 V 4.5670 6.9037 114.1724 60.8654 34.4682 174.3409 66 M 4.7718 8.4397 120.2974 54.6174 33.2500 175.4741 67 D 4.4357 8.1605 119.6164 53.7386 42.1748 174.7939 68 P 4.2658 0.0000 0.0000 65.8012 31.5491 178.8182 69 S 4.1272 8.0466 113.5037 61.4648 62.7299 176.4109 70 F 4.1063 8.8607 123.5162 61.2923 39.2369 177.2554 71 V 3.4427 8.1706 118.1691 66.4000 31.3876 177.4340 72 C 4.3178 8.3231 116.1398 59.5224 39.0720 175.9113 73 L 4.1002 7.6946 123.4637 57.5606 41.5040 178.9629 74 K 3.7276 7.6751 119.2296 59.0873 32.1030 177.3679 75 I 4.0355 7.6972 109.5710 61.0674 37.9158 176.5350 76 G 3.9652 8.1746 109.5352 45.7305 0.0000 174.5318 77 A 4.2539 8.0508 124.1277 53.7080 18.4625 177.3922 78 C 5.0778 7.8547 113.2876 54.3768 43.1170 173.3535 79 P 4.1891 0.0000 0.0000 64.9486 31.4969 176.4536 80 S 4.1521 7.7073 118.0367 58.6478 62.7387 173.6377 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 D 8.35 4.48 0.00 2.77 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 2 G 8.26 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 0.00 0.00 0.00 0.00 3 G 9.35 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 0.00 0.00 0.00 4 F 7.88 4.73 0.00 3.04 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 5 C 8.29 4.18 0.00 3.18 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 6 E 8.07 3.89 0.00 2.09 2.04 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 2.40 2.34 0.00 7 V 7.71 3.50 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 1.01 0.00 0.00 1.03 0.00 0.00 8 C 7.88 3.38 0.00 2.03 2.96 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 9 K 7.81 3.86 0.00 1.79 1.79 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.55 7.81 10 K 7.89 3.90 0.00 1.65 1.62 0.00 0.66 0.00 0.00 0.89 0.00 0.00 2.66 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.38 7.81 11 L 8.16 3.98 0.00 1.80 1.74 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.29 3.78 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 1.02 0.00 0.00 1.07 0.00 0.00 13 G 8.30 3.65 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 0.00 0.00 0.00 14 Y 8.16 3.99 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.87 0.00 1.94 1.72 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.41 4.33 0.00 2.84 2.84 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 17 R 7.63 4.05 0.00 1.59 1.80 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 18 N 7.52 4.55 0.00 2.00 2.41 0.00 0.00 6.93 7.90 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 19 L 7.31 4.40 0.00 1.60 1.59 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.80 3.99 0.00 1.93 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 2.32 1.89 0.00 *21 K 8.69 4.57 0.00 1.77 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 0.99 7.81 *22 N 7.75 5.14 0.00 2.68 2.65 0.00 0.00 6.81 7.64 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 23 S 7.58 4.48 0.00 3.80 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 24 T 9.34 4.24 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 1.27 0.00 0.00 25 K 8.54 3.94 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.54 7.81 26 Q 8.01 4.00 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 27 E 8.33 3.99 0.00 2.28 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 2.34 2.36 0.00 28 I 8.17 3.77 2.00 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 1.42 0.87 0.93 0.00 0.00 29 L 8.34 3.92 0.00 1.80 1.84 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.21 4.00 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 31 A 8.10 4.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.04 0.00 1.80 1.76 0.92 0.88 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 33 E 8.15 4.15 0.00 2.15 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 2.35 2.54 0.00 34 K 7.71 4.58 0.00 1.99 2.02 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.63 1.67 7.81 35 G 8.18 3.78 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 0.00 0.00 0.00 36 C 8.28 4.38 0.00 2.99 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 3.89 0.00 3.70 3.78 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 38 F 7.53 4.42 0.00 2.23 2.46 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 39 L 6.81 4.33 0.00 1.84 1.59 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.43 0.00 2.49 2.10 0.00 3.54 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 2.18 2.16 0.00 41 D 9.03 4.42 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.26 0.00 1.78 1.98 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 43 Y 8.18 4.39 0.00 3.14 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 44 Q 8.21 3.97 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 45 K 8.01 4.04 0.00 1.84 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.45 7.81 46 Q 8.12 4.15 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 47 C 8.91 4.47 0.00 3.20 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 48 D 8.46 4.35 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.29 3.99 0.00 2.27 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 50 F 8.51 3.42 0.00 2.81 3.16 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 0.00 51 V 8.10 3.10 2.05 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 0.95 0.00 0.00 1.05 0.00 0.00 52 A 7.71 3.92 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 53 E 8.02 3.92 0.00 1.96 1.97 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 1.75 2.14 0.00 54 Y 7.51 4.27 0.00 2.23 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.72 3.82 0.00 2.02 1.90 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 2.27 2.37 0.00 56 P 0.00 4.23 0.00 2.14 2.05 0.00 3.50 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 57 V 7.68 3.75 2.12 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 0.85 0.00 0.00 1.12 0.00 0.00 58 L 8.20 4.03 0.00 1.80 1.72 0.64 1.08 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 59 I 7.86 3.70 1.99 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 1.53 1.11 0.91 0.00 0.00 60 E 7.84 4.02 0.00 1.97 2.16 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 2.34 2.33 0.00 61 I 7.89 4.04 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.31 1.05 0.00 0.00 62 L 8.19 4.67 0.00 1.81 1.73 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.37 3.63 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 0.81 0.00 0.00 1.01 0.00 0.00 64 E 8.02 4.50 0.00 2.11 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 2.28 2.31 0.00 65 V 6.90 4.57 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 0.97 0.00 0.00 1.00 0.00 0.00 66 M 8.44 4.77 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 67 D 8.16 4.44 0.00 2.81 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 68 P 0.00 4.27 0.00 2.20 2.23 0.00 3.67 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 69 S 8.05 4.13 0.00 3.91 3.95 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 70 F 8.86 4.11 0.00 3.16 3.11 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 71 V 8.17 3.44 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 1.01 0.00 0.00 1.12 0.00 0.00 72 C 8.32 4.32 0.00 3.05 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 73 L 7.69 4.10 0.00 1.93 1.74 0.99 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.68 3.73 0.00 0.84 1.43 0.00 1.60 0.00 0.00 1.49 0.00 0.00 3.24 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.31 7.81 75 I 7.70 4.04 2.08 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 1.53 0.77 0.98 0.00 0.00 76 G 8.17 3.97 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 0.00 0.00 0.00 77 A 8.05 4.25 1.14 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 0.00 0.00 78 C 7.85 5.08 0.00 2.92 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 79 P 0.00 4.19 0.00 2.18 2.19 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 80 S 7.71 4.15 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.