NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3708 8.1727 122.0543 56.3114 34.1481 174.4167 3 V 4.3204 8.9338 128.1525 61.0187 30.7495 173.7318 4 T 4.5032 8.8512 119.1774 62.1626 70.9361 174.0853 5 D 4.8511 7.8689 121.1440 52.5578 45.1455 174.1126 6 V 4.8948 8.3632 123.8708 61.4041 34.7842 174.2837 7 R 4.7026 9.4741 126.8467 54.3057 33.1758 174.2816 8 L 5.2254 8.6507 125.2362 53.1507 45.6308 175.5594 9 R 4.5445 8.9394 124.9985 54.1547 32.9648 174.4521 10 K 4.5879 8.7537 126.8066 56.7236 32.6631 176.8791 11 I 4.1566 8.5315 127.3971 60.8422 37.3124 176.4759 12 Q 4.0162 8.8278 125.0954 59.0525 29.0661 176.1911 13 T 3.8397 7.7702 115.2475 63.3781 68.1239 174.2646 14 D 4.6936 8.5357 127.6917 54.3400 39.2441 175.8584 15 G 3.9980 7.6171 113.4942 44.1631 0.0000 171.4076 16 R 4.0831 8.3703 115.8704 56.0712 27.8929 178.7810 *18 K 4.3731 8.2004 119.2230 56.4894 35.3447 176.9210 19 A 5.0393 7.7078 117.8501 50.7990 23.1709 174.9868 20 L 4.9795 8.7298 122.2917 53.5188 44.7125 175.5915 21 V 4.9158 8.7079 124.5599 61.4015 35.2646 173.9906 22 S 5.5083 9.3756 123.9376 56.7721 65.7516 173.1690 23 I 5.1092 8.6243 116.0075 59.4778 41.5263 174.0145 24 T 5.0209 8.6843 119.4949 61.8756 71.4105 173.1486 25 L 5.0031 9.3358 126.4361 53.8531 43.8895 176.6118 26 D 4.3811 9.4043 121.8797 54.5590 39.0940 173.4787 27 E 3.8427 8.4156 114.3103 57.0868 27.1636 174.9428 28 A 4.6910 8.3903 121.7518 52.1714 21.2330 177.3388 29 F 4.6681 7.9452 118.1516 56.7724 42.9898 173.2072 30 V 4.8180 8.2229 125.6485 60.1056 33.5014 174.9297 31 I 4.5281 8.6536 125.4139 59.9767 39.3566 174.9931 32 H 4.9000 8.8464 123.9644 55.2450 30.8784 174.5348 33 D 4.6193 8.7403 116.6251 55.2010 37.8564 174.3987 34 L 4.4844 7.7853 118.9236 54.9776 43.1102 176.3637 35 R 4.9692 8.6976 120.1552 54.3302 33.6859 174.7805 36 V 3.9824 8.6117 124.6184 62.4996 32.6407 174.7000 37 I 4.5487 8.0885 129.0302 59.2033 40.4946 174.4278 38 E 4.3445 8.9548 128.8454 55.5650 29.8133 175.8252 39 G 4.3956 8.6625 118.9782 44.1270 0.0000 171.7696 40 N 4.5008 8.8401 116.8676 55.6306 39.2980 176.0936 41 S 4.6717 7.8357 112.2888 57.9706 63.5019 172.0050 42 G 3.7390 8.1742 106.0235 45.1064 0.0000 172.5473 43 L 4.8985 8.1457 118.3888 54.3036 42.7536 176.4809 44 F 4.9570 8.7582 116.8317 55.7360 42.3327 172.9168 45 V 4.4377 9.1934 119.5640 61.5924 32.1614 174.9579 46 A 4.6682 8.8361 134.7494 50.8403 22.1243 173.3480 *48 P 4.7740 0.0000 0.0000 63.0480 33.2081 175.8297 49 S 5.1779 8.7552 118.4719 56.2592 65.3541 172.7254 50 K 4.7246 9.1884 127.9612 54.3414 35.0821 174.9271 51 R 4.4147 8.8259 128.4943 56.3115 30.6991 176.3642 52 T 4.2298 8.8211 117.0731 60.3436 69.8043 173.7874 53 P 4.2596 0.0000 0.0000 65.2695 31.3713 177.0944 54 D 4.5984 8.0856 115.3615 52.9253 39.4463 177.1215 55 G 3.6557 8.3162 107.6679 45.5564 0.0000 173.6896 56 E 4.2132 7.6725 119.5918 55.5289 31.4989 175.2244 57 F 5.4193 8.5025 118.0534 55.9688 42.4993 175.2300 58 R 4.6637 9.0814 121.4777 54.2072 32.8060 174.6503 59 D 4.8409 8.8472 124.4093 54.6466 41.0648 175.5915 60 I 4.3038 8.8181 127.7345 62.9090 38.3671 176.6803 61 A 4.7231 7.8054 122.6380 50.8977 22.1394 174.7439 62 H 4.8407 8.2858 115.9248 53.5466 31.0957 171.8567 63 P 4.3843 0.0000 0.0000 63.0218 31.7107 176.0121 64 I 4.5363 8.0983 112.4908 60.1683 38.0985 174.4849 65 N 4.9981 7.7009 115.9716 51.7266 40.1516 174.3013 66 S 4.1884 8.7047 114.1126 61.7212 62.9002 176.3933 67 D 4.5761 7.6072 116.5037 55.5232 40.4564 177.9776 *69 R 4.2032 8.0981 121.0912 56.4874 31.7944 177.4566 70 Q 3.9974 8.2047 118.4037 59.0556 28.8376 177.6911 71 E 3.9839 8.3628 120.5367 59.0876 29.6688 178.9214 72 I 3.6990 7.6536 119.3805 64.4747 37.1112 178.0825 73 Q 4.0332 7.8783 117.2957 59.2050 28.6655 178.6535 74 D 4.4898 8.2927 118.4636 57.4511 41.1464 178.4857 75 A 4.2081 8.3158 121.5846 54.8308 18.2476 179.0520 76 V 3.8003 7.6949 115.2319 63.4707 31.2091 177.7222 *78 K 4.2022 7.9355 119.1792 56.0117 33.9498 178.0069 79 V 3.7749 7.4052 117.8421 65.4713 31.3528 177.1764 80 Y 4.0090 8.2356 119.4124 60.9841 38.4856 177.9204 81 D 4.5054 7.6252 117.1077 56.3813 41.1091 177.6297 82 E 4.2082 7.8681 118.1703 56.6249 29.4117 176.5590 83 T 4.0662 7.0308 114.5395 61.6217 68.0492 174.8158 84 D 4.4267 8.3886 125.3742 57.2154 41.0605 177.9754 85 E 4.0771 8.0103 117.4884 57.9036 29.8375 177.0040 86 V 4.2107 6.9864 117.5394 60.1323 33.0220 176.1548 87 I 4.0335 8.2024 122.2701 61.5249 37.2684 175.4886 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 2 K 8.17 4.37 0.00 1.86 1.75 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.66 7.81 3 V 8.93 4.32 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 0.80 0.00 0.00 0.94 0.00 0.00 4 T 8.85 4.50 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 1.27 0.00 0.00 5 D 7.87 4.85 0.00 2.77 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.89 2.10 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 0.90 0.00 0.00 0.95 0.00 0.00 7 R 9.47 4.70 0.00 1.72 1.79 0.00 3.12 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 8 L 8.65 5.23 0.00 1.64 1.51 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.94 4.54 0.00 1.88 1.74 0.00 3.15 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 10 K 8.75 4.59 0.00 1.66 1.75 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.38 7.81 11 I 8.53 4.16 1.88 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 1.29 0.74 0.94 0.00 0.00 12 Q 8.83 4.02 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.05 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 13 T 7.77 3.84 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 1.21 0.00 0.00 14 D 8.54 4.69 0.00 2.62 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 15 G 7.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.37 4.08 0.00 1.72 1.88 0.00 3.15 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 *18 K 8.20 4.37 0.00 1.62 2.03 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.31 7.81 19 A 7.71 5.04 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 20 L 8.73 4.98 0.00 1.78 1.52 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.71 4.92 2.18 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 0.94 0.00 0.00 0.95 0.00 0.00 22 S 9.38 5.51 0.00 3.77 3.69 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 23 I 8.62 5.11 1.89 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 1.24 0.80 0.93 0.00 0.00 24 T 8.68 5.02 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 1.27 0.00 0.00 25 L 9.34 5.00 0.00 1.61 1.59 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.40 4.38 0.00 2.85 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 27 E 8.42 3.84 0.00 2.10 2.01 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 2.23 2.30 0.00 28 A 8.39 4.69 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 29 F 7.95 4.67 0.00 3.06 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 V 8.22 4.82 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 0.67 0.00 0.00 0.79 0.00 0.00 31 I 8.65 4.53 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.96 0.00 0.00 32 H 8.85 4.90 0.00 3.07 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.74 4.62 0.00 2.93 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 34 L 7.79 4.48 0.00 1.81 1.57 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.70 4.97 0.00 1.63 1.65 0.00 3.12 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 36 V 8.61 3.98 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 0.13 0.00 0.00 0.78 0.00 0.00 37 I 8.09 4.55 0.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.65 0.57 0.00 0.00 38 E 8.95 4.34 0.00 1.90 1.84 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 2.30 2.25 0.00 39 G 8.66 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 0.00 0.00 0.00 0.00 40 N 8.84 4.50 0.00 2.69 2.86 0.00 0.00 6.65 7.63 0.00 0.00 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 S 7.84 4.67 0.00 3.97 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 42 G 8.17 3.74 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 0.00 0.00 0.00 43 L 8.15 4.90 0.00 1.45 1.37 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.76 4.96 0.00 3.12 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 45 V 9.19 4.44 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 0.74 0.00 0.00 0.95 0.00 0.00 46 A 8.84 4.67 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.77 0.00 2.15 2.17 0.00 4.01 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 2.05 2.14 0.00 49 S 8.76 5.18 0.00 3.79 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 50 K 9.19 4.72 0.00 1.86 1.65 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.38 7.81 51 R 8.83 4.41 0.00 1.94 1.80 0.00 3.20 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.00 52 T 8.82 4.23 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 1.21 0.00 0.00 53 P 0.00 4.26 0.00 2.03 2.15 0.00 3.62 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 2.07 0.00 54 D 8.09 4.60 0.00 2.73 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 55 G 8.32 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 56 E 7.67 4.21 0.00 1.98 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 2.28 2.23 0.00 57 F 8.50 5.42 0.00 2.90 2.91 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 58 R 9.08 4.66 0.00 1.70 1.84 0.00 3.30 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 59 D 8.85 4.84 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.82 4.30 1.91 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 1.37 1.01 0.96 0.00 0.00 61 A 7.81 4.72 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 62 H 8.29 4.84 0.00 3.22 3.39 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.38 0.00 2.18 2.08 0.00 3.75 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 2.00 1.96 0.00 64 I 8.10 4.54 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.77 0.00 0.00 65 N 7.70 5.00 0.00 2.76 2.75 0.00 0.00 6.14 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 66 S 8.70 4.19 0.00 3.87 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 67 D 7.61 4.58 0.00 3.08 2.66 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 *69 R 8.10 4.20 0.00 1.87 2.11 0.00 3.17 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 70 Q 8.20 4.00 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 71 E 8.36 3.98 0.00 2.13 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 0.00 2.31 2.40 0.00 72 I 7.65 3.70 2.02 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 1.65 0.71 0.93 0.00 0.00 73 Q 7.88 4.03 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 74 D 8.29 4.49 0.00 2.70 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 75 A 8.32 4.21 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 76 V 7.69 3.80 2.18 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 0.99 0.00 0.00 0.98 0.00 0.00 *78 K 7.94 4.20 0.00 1.95 2.08 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.45 7.81 79 V 7.41 3.77 2.24 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 1.09 0.00 0.00 1.01 0.00 0.00 80 Y 8.24 4.01 0.00 3.05 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 81 D 7.63 4.51 0.00 2.57 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 82 E 7.87 4.21 0.00 2.14 1.95 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 2.31 2.49 0.00 83 T 7.03 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 84 D 8.39 4.43 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 85 E 8.01 4.08 0.00 1.83 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 2.28 2.32 0.00 86 V 6.99 4.21 2.06 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 0.47 0.00 0.00 0.99 0.00 0.00 87 I 8.20 4.03 1.87 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 1.27 0.50 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.