NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3201 8.2644 123.5811 52.4035 19.7846 175.8936 2 S 4.2295 8.1059 110.6870 56.3542 63.3453 171.4928 3 A 3.6430 7.7884 125.4731 50.7123 17.7843 177.1078 4 A 5.7182 6.8735 133.3032 52.4896 22.7653 178.1019 5 K 4.5428 6.9951 122.3877 57.5748 32.4670 176.3826 6 G 3.9987 8.6300 118.4819 47.7429 0.0000 175.5868 7 D 4.0198 8.0618 119.7027 57.8162 42.4655 177.3947 8 H 4.0338 7.0497 110.1805 57.4117 28.2206 174.9649 9 G 4.0642 8.6948 113.8343 44.2620 0.0000 172.1546 10 G 3.9310 8.0623 103.4908 43.6921 0.0000 173.1670 *12 G 3.8397 8.3706 105.8133 43.9930 0.0000 173.6665 13 A 4.1526 8.4147 120.6422 55.2184 18.2492 179.6915 14 R 3.8918 8.0605 116.6490 59.9327 30.2005 178.7167 15 T 3.8931 7.9103 114.8995 66.5848 68.5393 176.6001 16 W 4.0266 8.3424 120.8614 59.6480 28.9988 178.6341 17 R 3.8280 8.5197 119.1179 59.1811 29.4364 178.3652 18 F 4.4434 8.5397 120.7587 61.3720 39.3000 177.1691 19 L 3.8234 8.0312 118.6908 57.8184 41.3234 179.5306 20 T 3.7796 7.8887 115.6887 66.8853 68.2172 176.6633 21 F 4.9514 7.9867 117.9551 59.4321 39.1894 177.3117 22 G 4.1823 8.4386 103.2625 44.4812 0.0000 173.3410 23 L 4.4927 7.6063 119.8626 56.3916 44.3909 178.0644 24 A 3.9744 8.4152 120.4568 55.3085 18.3136 179.6505 25 L 4.0047 8.4607 117.6975 57.4850 41.6835 177.9530 26 P 4.2763 0.0000 0.0000 65.6665 31.2176 178.8978 27 S 4.0621 7.9103 113.5292 61.5764 62.7292 176.5299 28 V 3.5554 7.8477 120.7155 66.1021 31.0739 177.9983 29 A 3.9406 8.2026 120.2488 55.0611 18.2524 179.4012 30 L 3.8845 8.0108 117.6392 58.4670 41.7540 179.7979 31 C 4.0526 8.4998 116.5858 62.8076 27.9144 176.5323 32 T 3.3416 7.9135 117.8438 66.1644 67.8234 176.3260 33 L 3.9049 7.6458 120.9773 58.2996 42.3993 178.0352 34 N 4.2976 8.1086 116.7807 57.0923 38.6000 176.9817 35 S 4.0431 7.7528 115.0041 60.2190 63.8607 175.7907 36 W 5.3000 7.5139 123.0398 54.8339 26.3070 174.5291 37 L 4.5850 7.3822 126.3223 56.9002 49.6521 175.4126 38 H 4.6338 8.4787 112.8260 56.1865 28.2243 175.5152 39 S 4.6713 7.6951 115.3568 56.5293 64.9427 174.0275 40 G 3.8981 8.6724 107.6411 45.9616 0.0000 173.2806 41 H 4.4453 8.3987 121.4007 55.6835 29.3305 175.3403 42 R 4.0950 8.5196 123.8240 55.1692 30.6767 175.3585 43 E 3.8309 8.9842 123.5765 56.1854 29.5500 176.8350 44 R 4.0860 8.4348 123.3350 55.5829 30.0379 174.7794 45 P 4.5152 0.0000 0.0000 61.7746 32.4277 175.7065 46 A 4.0810 8.6045 122.2856 52.9132 18.6941 177.1111 47 F 4.4642 8.9065 123.8011 57.5886 40.2993 175.1030 48 I 3.9383 6.8378 127.5223 58.6461 40.3488 174.9266 49 P 4.1160 0.0000 0.0000 61.5383 29.9484 176.3984 50 Y 4.2930 7.0491 116.5303 60.0450 38.6791 177.9302 51 H 4.6357 9.0697 119.7699 57.1278 29.3323 175.5916 52 H 4.7186 8.2518 113.7826 55.4453 29.0528 174.4383 53 L 4.7004 7.0437 118.1319 53.3141 45.2276 175.9507 54 R 3.8186 8.5130 116.3972 57.5224 27.3973 177.2452 55 I 3.9919 7.4277 116.8283 61.3856 38.2394 177.4437 56 R 4.3162 8.1371 123.1311 54.6059 30.8512 174.5767 57 T 4.2531 7.8988 111.5421 62.0041 70.1379 175.6570 58 K 4.3421 7.1732 120.7438 54.3319 34.9793 173.1572 59 P 4.1969 0.0000 0.0000 62.1449 32.1137 176.4891 60 F 3.9105 7.9302 120.3033 57.8782 39.1286 175.5149 61 S 4.4272 7.8920 117.7788 58.1078 63.2514 174.0678 62 W 5.1147 7.3757 115.6376 55.9291 31.3529 175.2534 63 G 3.7757 8.5581 108.2731 47.4072 0.0000 174.1905 64 D 4.5553 8.8517 124.5039 53.1208 39.6848 177.7441 65 G 4.3240 8.3002 108.9484 45.6966 0.0000 174.2662 66 N 5.0058 8.5317 115.6693 53.1751 40.1952 173.3022 67 H 4.9074 8.0865 114.2723 54.4650 31.2536 174.3709 68 T 3.5704 8.2635 113.5556 61.0030 69.5371 174.8592 69 F 2.9924 8.8174 124.9059 60.6161 39.3374 176.4032 70 F 5.0988 7.4677 117.3712 56.3408 39.4038 175.4496 71 H 4.0032 8.0600 120.0507 56.7955 30.3347 173.5081 72 N 4.8442 8.4690 124.5940 51.0361 39.5526 172.5720 73 P 4.3204 0.0000 0.0000 65.7251 31.7007 179.0252 74 R 4.0120 8.1630 117.5063 58.5533 30.0247 177.2714 75 V 4.5093 7.3345 104.3133 60.4027 33.5753 174.9941 76 N 4.8469 8.5103 118.2001 50.6157 38.7659 172.8900 77 P 4.2931 0.0000 0.0000 61.7684 32.5519 176.0766 78 L 4.3543 8.0798 119.7386 53.1472 42.4567 176.4170 79 P 4.3604 0.0000 0.0000 65.7372 31.1501 177.7291 80 T 4.1489 8.1626 105.6419 61.1407 69.7873 173.4666 81 G 2.0000 6.6894 108.1754 43.0501 0.0000 172.8843 82 Y 4.3793 7.5513 116.9434 57.7010 38.4190 176.0366 83 E 4.2899 8.5385 121.6065 55.6930 30.5223 177.3796 84 K 4.1428 8.5289 118.9618 57.0285 32.0552 177.1742 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 8.11 4.23 0.00 3.85 3.79 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 0.00 0.00 0.00 0.00 3 A 7.79 3.64 1.29 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 4 A 6.87 5.72 1.30 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 0.00 0.00 5 K 7.00 4.54 0.00 1.58 0.99 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.30 7.81 6 G 8.63 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 7 D 8.06 4.02 0.00 2.65 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 0.00 0.00 0.00 0.00 8 H 7.05 4.03 0.00 3.36 3.72 0.00 5.86 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 8.69 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 10 G 8.06 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 *12 G 8.37 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 0.00 0.00 0.00 13 A 8.41 4.15 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 8.06 3.89 0.00 1.93 2.00 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 15 T 7.91 3.89 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 0.73 0.00 0.00 16 W 8.34 4.03 0.00 3.43 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 8.52 3.83 0.00 2.01 2.21 0.00 3.20 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 18 F 8.54 4.44 0.00 3.32 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 19 L 8.03 3.82 0.00 1.77 1.56 -0.20 0.26 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 20 T 7.89 3.78 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 0.75 0.00 0.00 21 F 7.99 4.95 0.00 3.15 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 22 G 8.44 4.18 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 0.00 0.00 0.00 23 L 7.61 4.49 0.00 1.60 1.74 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.42 3.97 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 25 L 8.46 4.00 0.00 1.88 1.84 1.12 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.28 0.00 2.18 2.14 0.00 3.71 0.00 0.00 3.93 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 7.91 4.06 0.00 4.14 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 28 V 7.85 3.56 2.23 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 1.08 0.00 0.00 0.98 0.00 0.00 29 A 8.20 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.88 0.00 1.82 1.70 0.91 0.92 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 8.50 4.05 0.00 2.80 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 32 T 7.91 3.34 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 1.08 0.00 0.00 33 L 7.65 3.90 0.00 1.77 1.84 0.93 0.95 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 34 N 8.11 4.30 0.00 2.77 2.83 0.00 0.00 7.32 6.73 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 35 S 7.75 4.04 0.00 3.02 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 36 W 7.51 5.30 0.00 3.21 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 7.38 4.58 0.00 2.03 1.76 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.48 4.63 0.00 3.15 3.34 0.00 5.89 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.70 4.67 0.00 4.15 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 40 G 8.67 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 0.00 0.00 0.00 41 H 8.40 4.45 0.00 3.16 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.52 4.09 0.00 1.84 1.90 0.00 3.28 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 43 E 8.98 3.83 0.00 1.93 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 0.00 2.30 2.28 0.00 44 R 8.43 4.09 0.00 1.95 1.85 0.00 2.35 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.26 0.00 45 P 0.00 4.52 0.00 2.32 2.18 0.00 4.04 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 46 A 8.60 4.08 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 8.91 4.46 0.00 3.04 3.08 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 48 I 6.84 3.94 1.09 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 -0.03 0.00 0.00 49 P 0.00 4.12 0.00 2.07 2.17 0.00 3.44 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 50 Y 7.05 4.29 0.00 2.91 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 51 H 9.07 4.64 0.00 3.19 3.39 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 8.25 4.72 0.00 3.26 3.38 0.00 5.46 0.00 0.00 0.00 0.00 7.05 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 4.70 0.00 1.66 1.58 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.51 3.82 0.00 1.94 2.00 0.00 3.44 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 55 I 7.43 3.99 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 1.44 0.76 0.89 0.00 0.00 56 R 8.14 4.32 0.00 1.66 1.68 0.00 3.16 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 57 T 7.90 4.25 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 7.17 4.34 0.00 1.59 1.51 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.34 7.81 59 P 0.00 4.20 0.00 1.94 1.84 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 60 F 7.93 3.91 0.00 2.29 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 7.89 4.43 0.00 4.14 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 7.38 5.11 0.00 3.40 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 8.56 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 64 D 8.85 4.56 0.00 2.80 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 8.30 4.32 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 0.00 66 N 8.53 5.01 0.00 2.63 2.90 0.00 0.00 6.99 7.41 0.00 0.00 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 8.09 4.91 0.00 3.14 3.18 0.00 5.95 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.26 3.57 4.23 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 1.30 0.00 0.00 69 F 8.82 2.99 0.00 2.36 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 0.00 0.00 0.00 0.00 70 F 7.47 5.10 0.00 3.14 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 71 H 8.06 4.00 0.00 3.30 3.31 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 4.84 0.00 2.75 2.67 0.00 0.00 7.20 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 4.32 0.00 2.25 2.18 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 74 R 8.16 4.01 0.00 1.85 1.97 0.00 3.31 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 75 V 7.33 4.51 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 0.78 0.00 0.00 0.97 0.00 0.00 76 N 8.51 4.85 0.00 2.67 2.82 0.00 0.00 6.99 7.56 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 77 P 0.00 4.29 0.00 1.55 0.54 0.00 3.70 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.70 0.00 78 L 8.08 4.35 0.00 1.70 1.55 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.36 0.00 2.03 2.16 0.00 3.64 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 2.16 2.12 0.00 80 T 8.16 4.15 4.17 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 1.19 0.00 0.00 81 G 6.69 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 7.55 4.38 0.00 2.93 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 83 E 8.54 4.29 0.00 2.05 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 2.35 2.37 0.00 84 K 8.53 4.14 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.