NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3664 8.3193 115.2896 58.2954 63.4198 173.5666 4 S 3.6307 8.2761 119.9340 58.5838 63.7464 173.3359 5 D 4.3234 7.9221 122.9483 52.8413 40.0632 176.0072 6 Y 4.3993 6.9066 119.5675 57.5284 38.9346 175.6286 7 I 4.6778 8.1488 123.5382 58.7394 39.5668 174.1527 8 P 4.4745 0.0000 0.0000 62.2563 31.9178 175.6150 9 D 4.8257 8.5329 121.3995 54.3212 41.8746 175.4328 10 S 4.5396 8.3196 118.9727 56.6984 65.8656 174.0419 11 K 3.8735 8.5661 126.2879 58.5154 32.3518 176.4669 12 F 5.5528 7.4859 114.3730 55.8814 43.1890 174.0764 13 Y 5.0887 9.2486 117.3759 56.3381 42.6563 174.3051 14 K 4.6723 9.4299 125.2873 55.7671 34.0461 175.3629 15 V 4.6219 9.1806 128.1844 61.3296 33.4944 173.8763 16 E 5.0765 9.5097 129.7749 54.5224 32.1423 174.1402 17 A 4.8967 9.2581 130.0009 50.1912 21.7853 174.9243 18 I 4.7310 8.5965 124.8239 60.0821 38.8258 175.3724 19 V 5.0472 8.5369 119.9912 59.0398 36.8813 175.4637 20 R 4.2057 8.2056 120.2023 55.7102 30.1638 176.5653 21 P 4.2554 0.0000 0.0000 65.3131 31.5053 177.8486 22 W 4.5725 8.1468 112.1982 57.3735 28.6033 177.1567 23 R 4.0896 7.5014 118.3124 56.0388 29.7429 177.6837 24 I 3.6401 7.2064 121.0369 64.9196 37.2004 178.1343 25 Q 3.9914 8.0114 117.8734 58.9880 28.6041 178.7572 26 Q 3.9692 7.9379 118.7466 58.7964 28.8282 178.7165 27 V 3.5229 7.8683 119.3599 65.9405 31.5967 178.0061 28 S 4.0631 8.2518 113.0968 61.5427 62.2602 176.2805 29 S 4.1012 8.2316 117.6020 61.5458 62.4262 176.5540 30 A 3.9821 8.0587 123.3701 55.2221 18.0461 179.7195 31 L 3.8803 8.0843 117.5423 57.7810 41.6856 179.4057 32 L 4.0588 8.1036 120.3614 58.1997 41.7687 179.2434 33 K 4.1228 8.0049 117.5882 58.2787 31.9758 178.2319 34 I 4.3732 7.0809 111.0155 60.2710 37.8513 176.0784 35 G 3.8354 8.0508 107.9606 46.1087 0.0000 173.2013 36 I 4.3440 7.8749 120.7321 59.3603 38.2144 175.4155 37 R 4.6198 8.4411 123.1588 54.9735 33.8035 175.2626 38 G 3.8934 8.8046 104.7927 45.4805 0.0000 173.6778 39 V 4.0334 7.6531 119.3486 62.8627 32.2950 175.2316 40 T 4.7401 8.8624 117.8306 60.0004 71.2378 173.5332 41 V 5.1804 8.3564 117.0585 59.8608 35.2345 174.8438 42 S 4.7304 8.8369 116.6115 57.1052 66.8618 172.5483 43 D 5.1631 8.6007 120.9275 54.0009 41.8407 176.1855 44 V 4.6379 8.7713 114.9776 59.6455 36.6723 174.5453 45 R 4.8261 8.4642 120.2061 54.5002 32.8216 176.2755 46 G 3.9341 9.3318 113.0059 45.4113 0.0000 174.1232 47 F 4.3318 9.0371 126.4830 58.7916 40.0724 176.6975 48 G 4.1360 7.8506 107.9598 43.8445 0.0000 171.9408 *64 E 4.1882 7.6326 117.3628 56.5154 31.3245 177.2771 65 D 4.8738 8.4324 121.9644 53.5773 39.2861 175.2466 66 K 4.3427 8.0429 122.5453 55.4857 33.6121 175.5272 67 F 4.9190 7.6607 118.8030 55.7858 41.2146 173.3792 68 V 4.3141 8.5986 113.3351 59.5368 33.5061 175.3987 69 A 4.7200 8.6107 127.7695 52.0149 19.1236 176.5545 70 K 4.8715 9.1016 120.9362 54.7592 37.4842 175.4886 71 V 4.8550 8.6512 114.0884 59.5416 35.2229 174.9729 72 K 4.7663 9.1301 127.0217 55.6814 33.7469 174.8949 73 M 5.1368 9.3221 127.7379 53.6283 34.6295 174.7533 74 E 5.2036 9.3413 123.1306 54.5680 33.3966 174.9574 75 I 4.7716 8.7603 123.4425 59.4894 41.9621 173.4608 76 V 4.8059 8.4886 129.0824 61.5530 32.8969 174.9018 77 V 5.0692 8.7451 119.9692 58.0250 36.6566 175.4050 78 K 4.6497 9.7234 121.4535 56.0390 32.5755 178.3788 79 K 4.1370 8.7069 122.8781 59.9689 32.0446 178.1115 80 D 4.6694 8.0817 114.6469 54.4029 40.0366 176.9997 81 Q 4.4218 8.0969 119.1090 56.5193 29.2170 177.5849 82 V 3.5858 7.4725 120.3172 66.0999 31.5444 177.7097 83 E 3.9920 8.1935 117.6858 59.5749 29.4244 179.3196 84 S 4.1200 8.0545 114.7011 61.4899 62.8590 176.8224 85 V 3.5587 7.8783 120.7992 66.0016 31.3547 177.8904 86 I 3.6329 7.9924 119.8972 64.7411 37.0069 178.1330 87 N 4.3418 8.2634 116.9976 56.6413 38.3001 177.7495 88 T 3.8784 7.9894 117.0934 66.5092 68.4800 176.8386 89 I 3.6313 7.8737 121.8423 64.4850 37.0976 178.3296 90 I 3.5993 7.6902 120.4417 64.4623 36.7303 177.9373 91 E 3.9714 8.0827 118.7736 59.4278 29.5154 178.8955 92 G 3.6234 8.1679 104.3103 46.8798 0.0000 174.7339 93 A 4.2796 7.8675 121.2239 51.6698 20.3237 177.4896 94 R 4.1392 7.6311 118.5223 56.5386 30.6134 176.1584 95 T 4.4373 9.4282 114.1031 60.8690 70.6880 175.2075 96 G 3.9968 8.8115 109.6576 45.0304 0.0000 173.2621 97 E 4.4327 7.7738 118.8130 54.7541 30.7379 175.8626 98 I 3.7153 8.2360 121.9896 63.3825 37.4298 176.0452 99 G 4.2374 9.0316 113.1547 45.7511 0.0000 174.4238 100 D 4.2507 7.4813 120.7097 55.4088 41.0685 176.7011 101 G 4.3015 8.5321 103.4900 45.1138 0.0000 171.9957 102 K 4.5766 7.9934 115.4162 54.5514 36.8466 175.4456 103 I 4.6238 7.8637 121.7601 59.5096 39.7438 175.1006 104 F 5.1611 9.1964 125.2735 55.6503 42.2600 174.5712 105 V 4.9421 8.4890 121.1911 61.1769 33.8892 174.5789 106 L 5.1071 8.9522 127.5422 51.8992 45.3939 174.3731 107 P 4.2087 0.0000 0.0000 62.8864 32.4019 175.6543 108 V 4.3054 8.1846 122.2621 61.3430 33.5125 176.6479 109 S 4.3177 8.9735 124.4982 61.4504 63.2006 173.7869 110 D 4.6757 7.4728 115.8181 53.0855 43.9365 174.0277 111 V 4.3324 7.7533 122.9007 60.9846 34.7177 174.1071 112 I 4.9849 8.0889 127.1049 59.4297 40.5372 174.7313 113 R 4.0936 8.8582 128.4286 55.6808 29.1961 177.2469 114 V 3.5451 8.6498 126.6099 66.0709 31.8966 177.8855 115 R 4.2197 8.1018 118.3843 58.5867 30.0527 176.7958 116 T 4.3442 7.3863 104.8186 60.5318 70.5721 175.3550 117 G 3.9258 8.6132 109.2717 45.0550 0.0000 173.4296 118 E 4.0340 7.8921 119.8105 56.5334 29.9261 176.4545 119 R 5.3873 7.5813 120.2604 54.1012 34.8443 177.5187 120 G 4.0518 8.4622 106.2811 46.4403 0.0000 176.4389 121 E 4.2765 9.2210 119.8215 59.4400 29.8106 178.3875 122 K 4.0476 8.2247 116.9545 59.3016 32.3637 177.9690 123 A 4.1255 7.9131 120.4513 54.5434 18.7344 176.6675 124 E 4.0011 8.0554 120.7616 56.4895 29.6447 176.2258 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 3 S 8.32 4.37 0.00 3.82 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 4 S 8.28 3.63 0.00 3.78 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 5 D 7.92 4.32 0.00 2.53 2.53 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 6 Y 6.91 4.40 0.00 2.96 2.72 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 7 I 8.15 4.68 1.94 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 1.47 0.91 0.96 0.00 0.00 8 P 0.00 4.47 0.00 2.09 2.02 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 9 D 8.53 4.83 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.54 0.00 3.54 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 11 K 8.57 3.87 0.00 1.60 1.26 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.54 1.12 7.81 12 F 7.49 5.55 0.00 3.19 2.93 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 13 Y 9.25 5.09 0.00 2.90 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 14 K 9.43 4.67 0.00 1.82 1.72 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 15 V 9.18 4.62 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 0.83 0.00 0.00 0.93 0.00 0.00 16 E 9.51 5.08 0.00 2.10 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 2.33 2.29 0.00 17 A 9.26 4.90 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 18 I 8.60 4.73 1.83 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.07 0.94 0.00 0.00 19 V 8.54 5.05 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 0.65 0.00 0.00 0.84 0.00 0.00 20 R 8.21 4.21 0.00 1.35 1.67 0.00 2.85 0.00 0.00 3.51 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 21 P 0.00 4.26 0.00 2.29 2.17 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 22 W 8.15 4.57 0.00 3.54 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 23 R 7.50 4.09 0.00 1.59 1.65 0.00 2.21 0.00 0.00 2.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 24 I 7.21 3.64 1.87 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 1.50 0.82 0.91 0.00 0.00 25 Q 8.01 3.99 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 26 Q 7.94 3.97 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 27 V 7.87 3.52 2.13 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 0.95 0.00 0.00 0.87 0.00 0.00 28 S 8.25 4.06 0.00 3.90 3.83 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 0.00 0.00 0.00 29 S 8.23 4.10 0.00 3.95 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 30 A 8.06 3.98 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 31 L 8.08 3.88 0.00 1.85 1.72 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.10 4.06 0.00 1.90 1.81 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.00 4.12 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 34 I 7.08 4.37 1.88 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 1.51 0.68 0.91 0.00 0.00 35 G 8.05 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 36 I 7.87 4.34 2.00 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 1.31 0.94 0.92 0.00 0.00 37 R 8.44 4.62 0.00 1.74 1.80 0.00 3.20 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 38 G 8.80 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 0.00 0.00 0.00 39 V 7.65 4.03 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 0.86 0.00 0.00 0.93 0.00 0.00 40 T 8.86 4.74 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 1.26 0.00 0.00 41 V 8.36 5.18 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 42 S 8.84 4.73 0.00 3.85 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 43 D 8.60 5.16 0.00 2.59 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 44 V 8.77 4.64 2.11 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 0.80 0.00 0.00 0.96 0.00 0.00 45 R 8.46 4.83 0.00 1.41 0.91 0.00 2.21 0.00 0.00 2.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.28 0.00 46 G 9.33 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 47 F 9.04 4.33 0.00 3.10 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 48 G 7.85 4.14 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 0.00 *64 E 7.63 4.19 0.00 2.03 1.99 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 2.25 2.37 0.00 65 D 8.43 4.87 0.00 2.90 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 66 K 8.04 4.34 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.33 7.81 67 F 7.66 4.92 0.00 2.40 1.58 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 68 V 8.60 4.31 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 0.64 0.00 0.00 1.00 0.00 0.00 69 A 8.61 4.72 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 70 K 9.10 4.87 0.00 1.68 1.76 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.56 7.81 71 V 8.65 4.85 2.08 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 0.76 0.00 0.00 0.90 0.00 0.00 72 K 9.13 4.77 0.00 1.83 1.69 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.45 7.81 73 M 9.32 5.14 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 74 E 9.34 5.20 0.00 1.84 1.81 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 2.23 2.23 0.00 75 I 8.76 4.77 1.87 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 1.13 1.28 0.92 0.00 0.00 76 V 8.49 4.81 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 0.81 0.00 0.00 0.92 0.00 0.00 77 V 8.75 5.07 2.35 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 0.89 0.00 0.00 1.03 0.00 0.00 78 K 9.72 4.65 0.00 2.05 1.74 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.48 1.77 7.81 79 K 8.71 4.14 0.00 2.18 1.92 0.00 2.03 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.73 7.81 80 D 8.08 4.67 0.00 2.82 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 81 Q 8.10 4.42 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 82 V 7.47 3.59 2.27 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 0.74 0.00 0.00 0.94 0.00 0.00 83 E 8.19 3.99 0.00 2.05 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 2.52 2.39 0.00 84 S 8.05 4.12 0.00 4.01 3.92 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 0.00 0.00 0.00 85 V 7.88 3.56 2.21 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 1.10 0.00 0.00 0.96 0.00 0.00 86 I 7.99 3.63 1.97 0.00 0.00 0.76 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 0.83 0.87 0.00 0.00 87 N 8.26 4.34 0.00 2.83 2.85 0.00 0.00 7.13 6.58 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 88 T 7.99 3.88 4.37 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 1.23 0.00 0.00 89 I 7.87 3.63 1.95 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 1.48 0.70 0.83 0.00 0.00 90 I 7.69 3.60 1.98 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 1.35 0.67 0.87 0.00 0.00 91 E 8.08 3.97 0.00 2.04 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 2.30 2.32 0.00 92 G 8.17 3.62 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 0.00 0.00 0.00 93 A 7.87 4.28 1.18 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 94 R 7.63 4.14 0.00 1.76 1.89 0.00 3.18 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 95 T 9.43 4.44 4.36 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 1.21 0.00 0.00 96 G 8.81 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 97 E 7.77 4.43 0.00 2.12 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 2.32 2.32 0.00 98 I 8.24 3.72 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 1.36 0.74 0.92 0.00 0.00 99 G 9.03 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 0.00 0.00 0.00 0.00 100 D 7.48 4.25 0.00 2.76 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 0.00 101 G 8.53 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 0.00 0.00 0.00 102 K 7.99 4.58 0.00 1.15 1.04 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 103 I 7.86 4.62 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.81 0.00 0.00 104 F 9.20 5.16 0.00 2.94 2.83 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 0.00 0.00 0.00 105 V 8.49 4.94 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 0.53 0.00 0.00 0.78 0.00 0.00 106 L 8.95 5.11 0.00 1.68 1.53 1.00 0.71 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 0.00 107 P 0.00 4.21 0.00 1.95 1.92 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 108 V 8.18 4.31 2.13 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 0.96 0.00 0.00 0.95 0.00 0.00 109 S 8.97 4.32 0.00 3.91 3.92 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 0.00 0.00 0.00 110 D 7.47 4.68 0.00 2.60 2.47 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 0.00 111 V 7.75 4.33 1.53 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 0.76 0.00 0.00 0.11 0.00 0.00 112 I 8.09 4.98 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 1.20 0.62 0.94 0.00 0.00 113 R 8.86 4.09 0.00 1.86 1.78 0.00 3.25 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 114 V 8.65 3.55 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 0.89 0.00 0.00 0.91 0.00 0.00 115 R 8.10 4.22 0.00 1.80 1.94 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 116 T 7.39 4.34 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 1.24 0.00 0.00 117 G 8.61 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 0.00 118 E 7.89 4.03 0.00 2.07 1.89 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 2.33 2.29 0.00 119 R 7.58 5.39 0.00 1.77 1.82 0.00 3.36 0.00 0.00 4.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 120 G 8.46 4.05 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 0.00 0.00 0.00 121 E 9.22 4.28 0.00 2.06 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 0.00 2.46 2.42 0.00 122 K 8.22 4.05 0.00 1.90 2.05 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.48 7.81 123 A 7.91 4.13 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 0.00 124 E 8.06 4.00 0.00 1.67 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 2.39 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.