NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3134 8.1693 120.6270 54.7473 43.1449 176.1420 2 N 4.8712 8.1477 119.9421 50.2461 41.8524 174.5470 3 C 4.4377 8.8978 117.2505 59.9303 40.0550 177.7641 4 G 3.5423 8.1158 107.0864 47.8585 0.0000 175.6638 5 Q 4.0074 8.4256 120.5397 58.5888 28.7073 178.8753 6 V 3.5798 7.7460 119.2655 66.1502 31.5675 177.7090 7 D 4.3652 8.4117 118.8470 57.5678 40.4591 179.0615 8 S 4.1390 7.8569 114.1993 61.5924 63.2043 176.6214 9 K 4.1232 8.2231 121.1549 59.5985 31.7819 178.8753 10 M 4.3045 8.2636 117.6391 56.3930 32.1274 178.1788 11 K 3.8374 8.0987 120.7562 59.3031 32.0833 176.5789 12 P 4.4596 0.0000 0.0000 64.9356 31.5674 178.1800 13 C 4.6450 8.4196 114.9483 57.3352 34.7584 175.0836 14 L 3.9566 8.1405 124.0023 58.6453 41.5738 178.9637 15 T 3.9177 7.9628 108.9162 64.9708 68.7065 175.5128 16 Y 4.4600 7.8753 123.0914 60.1558 38.8026 177.8895 17 V 3.6161 8.0475 112.0865 62.8911 31.3374 177.1844 18 Q 4.8373 6.9864 118.3729 54.7084 29.2417 176.4295 19 G 3.8046 7.8838 107.7766 45.2053 0.0000 174.4959 20 G 3.9638 8.1559 110.2752 43.3392 0.0000 171.6297 21 P 4.6053 0.0000 0.0000 62.2876 32.2643 176.2592 22 G 3.4863 8.2803 104.5498 43.4268 0.0000 171.2824 23 P 3.7845 0.0000 0.0000 62.0641 32.0793 176.8617 24 S 4.4573 8.2911 116.2935 57.8519 65.2069 175.5919 25 G 3.5884 8.4406 108.4305 47.9448 0.0000 175.7871 26 E 3.9686 8.0802 120.4389 59.1562 29.4644 179.7236 27 C 4.2561 8.3015 118.6985 60.0607 41.4805 175.1245 28 C 4.1824 8.2519 118.0241 59.9850 40.2653 175.8929 29 N 4.4065 8.6078 118.7485 56.1414 38.0732 177.7259 30 G 3.8716 8.1186 108.5398 47.2078 0.0000 175.9348 31 V 3.6228 7.9849 120.9706 65.8716 31.6048 178.3584 32 R 3.9141 8.4062 118.2137 59.2953 29.8732 178.6240 33 D 4.3359 8.4033 118.1048 57.1644 41.2332 178.0236 34 L 3.9570 8.4126 121.4202 58.3505 41.8660 178.3695 35 H 4.0605 8.3362 117.5812 59.3716 29.8779 176.5179 36 N 4.4950 8.1610 117.7743 56.6027 38.8490 176.5084 37 Q 4.1896 7.9272 118.2764 57.2620 30.2906 177.2851 38 A 4.3738 7.4815 123.8647 51.0740 15.4452 176.8105 39 Q 4.0577 7.7891 123.4274 57.4076 30.0872 177.9296 40 S 4.7315 7.8280 112.0898 56.7911 66.2603 175.2525 41 S 4.4560 8.0174 119.4975 61.1743 62.4876 177.2122 42 G 3.5979 8.0294 107.7933 47.9214 0.0000 175.3416 43 D 4.3270 7.9418 121.0994 57.1606 40.8718 179.0812 44 R 3.8604 8.0944 118.6253 59.3613 30.0576 179.1891 45 Q 3.8664 8.3733 118.2760 58.9578 28.5852 178.9253 46 T 3.7664 7.9203 116.9670 66.6030 68.4742 176.6499 47 V 3.5538 7.9418 120.4081 66.1534 31.3736 177.2124 48 C 4.1697 8.1422 117.8916 59.7857 39.5272 175.1824 49 N 4.2222 8.5182 118.3415 56.6175 38.0930 176.7982 50 C 4.2866 8.5530 118.1671 60.1095 39.2967 176.2252 51 L 3.8425 8.1714 120.5360 57.2107 41.0914 179.3993 52 K 4.0296 8.4204 120.5200 59.3386 31.8909 179.1937 53 G 3.5345 7.8332 105.0609 47.6398 0.0000 175.4754 54 I 3.8263 7.9469 122.2422 64.1013 37.1957 177.9596 55 A 4.0384 8.3470 124.3579 56.3218 17.9460 180.5656 *56 R 4.0808 7.4819 116.7076 60.7100 29.3728 179.3983 57 G 4.1165 7.9263 104.3101 45.5494 0.0000 173.2829 58 I 4.1926 7.4697 121.6965 59.4567 37.5190 175.3026 59 H 4.2400 8.7379 126.2505 57.2648 29.9302 174.4504 60 N 4.0851 8.7607 123.1295 53.8334 35.7472 173.7780 61 L 4.1513 8.0591 119.7617 55.5413 42.5005 176.4634 62 N 4.6138 9.5417 126.3459 52.0417 38.8298 174.9308 63 L 3.9328 8.2325 128.7123 57.7064 41.5851 178.9912 64 N 4.3534 8.0499 115.3147 56.2225 38.8818 176.7863 65 N 4.3064 8.7229 118.0707 56.1080 38.5527 177.2012 66 A 3.9838 8.0890 122.2194 55.3560 18.2593 179.6109 67 A 4.0815 8.3836 117.8996 54.7827 18.7542 179.2104 68 S 4.4402 7.9752 112.4499 59.7079 63.0731 176.4227 69 I 3.7860 7.5449 123.3967 63.8945 36.8505 176.1788 70 P 4.2533 0.0000 0.0000 65.7069 31.2318 178.5453 71 S 4.0707 8.0052 111.1027 61.5285 62.2349 176.2181 72 K 4.0357 8.0262 119.6838 59.0750 31.8289 177.7331 73 C 4.5556 8.2950 114.3479 55.7402 40.7411 173.0526 74 N 4.1695 8.0101 116.9967 54.7135 36.1602 174.5242 75 V 4.2746 7.9648 109.8695 59.2882 34.8174 175.5165 76 N 4.5690 8.5117 122.2566 52.9613 39.0170 175.0885 77 V 4.4573 8.0170 125.7913 60.3997 31.9228 173.5951 78 P 4.5049 0.0000 0.0000 62.6006 31.1686 176.3818 79 Y 4.7885 7.6498 115.2380 56.9673 41.2326 175.7413 80 T 4.0918 8.5414 120.0614 63.7646 68.9930 175.8513 81 I 4.1420 8.1790 128.4374 60.1927 35.7920 174.7264 82 S 4.7720 7.9009 120.2202 55.7429 65.7950 173.6556 *83 P 4.2437 0.0000 0.0000 65.9847 30.5572 178.4141 *84 D 4.8198 7.9443 114.7965 52.9382 39.6420 178.2267 85 I 3.6292 7.4315 120.4071 62.4483 38.4261 175.4274 86 D 4.6416 8.4287 127.0553 52.7635 40.3322 177.3078 87 C 4.2972 8.4649 125.3666 59.2169 40.4717 176.2583 88 S 3.8504 8.1374 113.3499 60.0299 62.8428 175.0460 89 R 4.6368 7.7493 119.0061 55.9489 30.1293 175.8057 90 I 3.9489 6.8489 119.9207 60.3599 38.1831 175.5856 91 Y 4.1871 8.3550 120.0856 58.3566 38.9232 175.0140 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 L 8.17 4.31 0.00 1.77 1.67 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.15 4.87 0.00 2.99 2.87 0.00 0.00 6.28 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 3 C 8.90 4.44 0.00 2.98 3.17 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 0.00 0.00 0.00 0.00 4 G 8.12 3.54 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 0.00 0.00 0.00 5 Q 8.43 4.01 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 6 V 7.75 3.58 2.22 0.00 0.00 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 0.99 0.00 0.00 7 D 8.41 4.37 0.00 2.86 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 8 S 7.86 4.14 0.00 3.99 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 9 K 8.22 4.12 0.00 1.91 2.03 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.54 1.63 7.81 10 M 8.26 4.30 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.81 0.00 11 K 8.10 3.84 0.00 2.04 1.83 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 12 P 0.00 4.46 0.00 2.12 2.11 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 13 C 8.42 4.65 0.00 3.12 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 14 L 8.14 3.96 0.00 1.83 1.75 0.93 0.62 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 15 T 7.96 3.92 4.28 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 1.24 0.00 0.00 16 Y 7.88 4.46 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 3.62 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 0.80 0.00 0.00 1.00 0.00 0.00 18 Q 6.99 4.84 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.58 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 19 G 7.88 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 20 G 8.16 3.96 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 0.00 0.00 0.00 21 P 0.00 4.61 0.00 2.22 2.11 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 22 G 8.28 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 3.78 0.00 1.98 1.64 0.00 3.34 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 24 S 8.29 4.46 0.00 4.04 4.02 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 25 G 8.44 3.59 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 0.00 26 E 8.08 3.97 0.00 2.02 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 2.39 2.36 0.00 27 C 8.30 4.26 0.00 3.08 3.30 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 28 C 8.25 4.18 0.00 3.12 3.09 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 29 N 8.61 4.41 0.00 2.85 2.86 0.00 0.00 6.85 8.09 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 30 G 8.12 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 31 V 7.98 3.62 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 1.15 0.00 0.00 0.98 0.00 0.00 32 R 8.41 3.91 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 33 D 8.40 4.34 0.00 2.97 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 3.96 0.00 1.88 1.82 0.92 0.86 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 35 H 8.34 4.06 0.00 3.37 3.48 0.00 5.81 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.16 4.50 0.00 2.87 3.01 0.00 0.00 7.31 6.39 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 37 Q 7.93 4.19 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.21 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 38 A 7.48 4.37 1.25 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 0.00 0.00 0.00 39 Q 7.79 4.06 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 40 S 7.83 4.73 0.00 4.04 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 41 S 8.02 4.46 0.00 3.96 3.96 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 42 G 8.03 3.60 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 0.00 0.00 0.00 43 D 7.94 4.33 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 3.86 0.00 1.93 1.89 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 45 Q 8.37 3.87 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 46 T 7.92 3.77 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 1.18 0.00 0.00 47 V 7.94 3.55 2.20 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 1.05 0.00 0.00 0.97 0.00 0.00 48 C 8.14 4.17 0.00 2.99 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 49 N 8.52 4.22 0.00 2.80 2.82 0.00 0.00 7.11 7.67 0.00 0.00 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 C 8.55 4.29 0.00 3.05 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 51 L 8.17 3.84 0.00 1.71 1.70 0.93 0.74 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 52 K 8.42 4.03 0.00 1.94 1.95 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 53 G 7.83 3.53 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 0.00 0.00 0.00 54 I 7.95 3.83 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.86 0.91 0.00 0.00 55 A 8.35 4.04 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 *56 R 7.48 4.08 0.00 2.05 1.88 0.00 3.25 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 57 G 7.93 4.12 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 0.00 0.00 0.00 58 I 7.47 4.19 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.86 0.90 0.00 0.00 59 H 8.74 4.24 0.00 3.05 3.23 0.00 6.06 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.76 4.09 0.00 2.81 2.78 0.00 0.00 6.78 6.74 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 61 L 8.06 4.15 0.00 1.72 1.56 0.89 1.03 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 62 N 9.54 4.61 0.00 2.51 2.60 0.00 0.00 6.77 6.54 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 63 L 8.23 3.93 0.00 1.70 1.69 0.91 0.70 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 64 N 8.05 4.35 0.00 2.84 2.86 0.00 0.00 6.93 8.00 0.00 0.00 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 N 8.72 4.31 0.00 2.51 1.56 0.00 0.00 6.89 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 A 8.09 3.98 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 67 A 8.38 4.08 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 68 S 7.98 4.44 0.00 4.22 4.01 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 69 I 7.54 3.79 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.21 0.97 0.00 0.00 70 P 0.00 4.25 0.00 2.19 2.22 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 71 S 8.01 4.07 0.00 3.90 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 72 K 8.03 4.04 0.00 1.82 1.80 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.69 7.81 73 C 8.30 4.56 0.00 3.06 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 74 N 8.01 4.17 0.00 2.85 2.88 0.00 0.00 6.70 7.79 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 75 V 7.96 4.27 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 0.65 0.00 0.00 0.99 0.00 0.00 76 N 8.51 4.57 0.00 2.66 2.78 0.00 0.00 6.74 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 77 V 8.02 4.46 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 1.15 0.00 0.00 1.04 0.00 0.00 78 P 0.00 4.50 0.00 1.84 1.97 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.83 0.00 79 Y 7.65 4.79 0.00 2.96 2.86 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 0.00 80 T 8.54 4.09 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 1.24 0.00 0.00 81 I 8.18 4.14 1.90 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 1.35 0.78 0.93 0.00 0.00 82 S 7.90 4.77 0.00 3.81 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 *83 P 0.00 4.24 0.00 2.13 1.96 0.00 3.79 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 1.94 1.60 0.00 *84 D 7.94 4.82 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 85 I 7.43 3.63 2.00 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 1.12 1.22 0.90 0.00 0.00 86 D 8.43 4.64 0.00 2.71 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 87 C 8.46 4.30 0.00 3.01 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 88 S 8.14 3.85 0.00 3.97 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 89 R 7.75 4.64 0.00 2.01 2.09 0.00 3.42 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 90 I 6.85 3.95 1.52 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 0.47 0.00 0.00 91 Y 8.36 4.19 0.00 3.13 2.81 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.