NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 G 3.9579 8.3549 109.7397 45.0009 0.0000 173.6164 -5 L 4.3368 8.2854 122.1407 54.3434 42.6304 171.5053 -4 V 4.5848 9.2325 115.0884 58.8607 36.9771 172.6723 -3 P 4.7506 0.0000 0.0000 63.4352 31.6834 175.8727 -2 R 4.6827 9.3700 122.6334 54.4058 35.6245 174.7917 -1 G 3.8970 8.6489 110.5985 45.1995 0.0000 174.9618 0 S 4.1432 8.6662 120.7716 61.4139 62.8686 175.6677 1 M 4.3663 7.9135 118.1145 56.3122 32.0351 176.2305 2 I 4.1071 8.0950 118.1705 62.8664 37.9068 176.1289 3 M 4.0046 7.4313 120.1089 55.6886 32.2720 176.6998 4 K 4.2630 8.5628 122.1237 56.1958 32.9983 176.7919 5 D 4.7656 8.4892 121.6392 54.1249 41.8554 177.6099 6 G 3.8719 7.4230 108.2105 45.0257 0.0000 170.9550 7 I 4.9768 7.7205 121.1790 59.8412 39.3961 174.9409 8 Y 4.9915 9.6115 124.2787 56.2182 41.7237 174.5597 9 S 5.0062 9.2172 116.9419 57.3059 64.7062 173.0308 10 I 5.2632 8.6907 125.5536 59.8375 41.7515 174.2036 11 I 4.9587 8.8147 126.0791 59.5527 41.1899 174.4558 12 F 6.0694 8.1162 119.7881 55.3207 42.0596 172.9874 13 I 5.3551 8.4180 119.0831 59.6255 41.7218 174.8698 14 S 5.5937 9.0897 124.2315 56.1705 65.2261 174.5753 15 N 4.0376 7.9515 116.1091 55.1890 37.0739 175.6857 16 E 4.0406 7.5257 117.0779 56.3651 29.5979 176.0697 17 D 4.4751 7.7927 117.3889 55.2819 40.2644 173.2809 18 S 4.8124 7.8160 112.0109 56.5924 64.9333 172.9854 19 C 5.3490 8.2655 120.4730 58.5751 30.9150 173.1553 20 G 4.0163 7.9720 105.9825 45.3671 0.0000 172.0007 21 E 4.9049 8.0676 119.5843 54.6788 33.9658 175.3505 22 G 4.2056 8.4324 107.2005 46.4433 0.0000 171.6750 23 I 5.2335 8.1525 119.3770 59.0958 41.2147 174.7145 24 L 5.3756 9.0223 128.9264 53.4585 45.6791 174.9223 25 I 5.1215 9.4128 127.1362 59.3677 40.6600 174.3027 26 K 4.8595 9.0761 127.2595 56.0333 34.8739 173.7825 27 N 4.6205 9.4329 125.1735 53.7910 38.8498 175.4635 28 G 3.4825 9.5407 104.6665 46.7168 0.0000 173.5212 29 N 4.8967 8.7187 120.2975 52.9669 41.6992 175.4580 30 M 4.5061 7.9111 120.2929 55.2633 33.5796 175.2677 31 I 5.1554 9.0791 124.3649 59.7623 40.8293 174.5913 32 T 5.0761 8.8125 117.1026 60.4364 72.4219 173.8868 33 G 4.0254 7.9803 108.9884 48.1907 0.0000 172.5373 34 G 3.7492 6.9107 110.8732 45.2466 0.0000 170.7928 35 D 5.2181 8.5365 118.5897 51.8764 41.7507 176.0488 36 I 3.7631 8.8683 110.0683 62.7915 37.9726 175.9943 37 A 4.0679 7.8858 121.3789 51.7476 21.2646 175.8934 38 S 5.1346 9.7187 111.1123 57.2192 68.0481 173.6380 39 V 4.1946 8.8490 114.0196 59.8079 35.9061 174.4244 40 Y 5.9717 7.8358 119.5370 55.6925 41.6086 173.9404 41 Q 5.1705 8.5188 119.7375 54.4830 33.5961 174.1942 42 G 4.2375 8.4072 106.5211 45.9259 0.0000 172.3477 43 V 4.8937 8.3618 121.0372 60.3651 33.5989 174.5527 44 L 3.6729 9.1099 131.3024 57.4986 41.8639 178.1703 *45 S 4.0604 9.0836 122.2080 57.9917 61.4622 170.4347 46 E 3.5014 9.0452 119.3752 55.0805 27.0871 172.2395 *47 D 4.6005 7.6374 116.0641 52.5964 39.0552 176.2444 48 E 4.7567 7.4136 116.4041 56.2035 33.4881 174.2540 49 D 4.4280 8.4185 120.7847 54.0563 41.4951 176.5450 50 I 3.8859 8.3369 124.8719 61.6132 37.9313 174.7447 51 I 4.5221 8.2164 128.6583 59.6703 38.6879 175.2159 52 L 4.5744 8.8025 130.3105 53.5423 43.8384 175.0962 53 H 4.6372 9.3047 125.9916 55.5374 29.9917 174.7272 54 V 4.6922 8.2695 124.6801 61.3957 33.3317 173.8663 55 H 5.4050 9.1127 128.2466 53.2046 32.3263 172.5350 56 R 4.4179 8.4470 126.4598 55.6501 29.7857 175.6616 57 Y 4.7623 8.8293 123.4771 56.6706 38.7220 174.9078 58 N 4.7131 6.9605 119.5231 52.8301 39.6293 173.6301 59 Y 4.2384 8.5746 121.2250 58.6217 38.3873 176.6396 60 E 4.2585 8.3285 119.3642 57.3666 30.0002 176.6188 61 I 4.4932 6.9397 119.5140 58.3517 39.5712 173.9120 62 P 4.4027 0.0000 0.0000 62.6921 32.1475 175.3661 63 S 4.7651 8.1878 114.3201 56.2026 63.8932 175.4966 64 V 3.7619 8.5577 126.5117 63.9628 31.0657 176.5817 65 L 4.3660 7.5388 117.8687 53.4974 42.9640 175.7373 66 N 4.1926 7.7555 115.0161 54.3564 36.4262 175.5548 67 I 3.8305 7.7883 119.3764 62.0063 37.8632 176.7576 68 E 3.9073 8.3806 117.2715 56.8111 26.4806 173.4246 69 Q 4.7380 7.5599 114.8413 55.6598 30.4310 172.5680 70 D 4.8831 8.1166 117.8611 55.0955 42.3565 175.3877 71 Y 4.8564 8.0610 118.1384 56.6300 42.1680 172.8546 72 Q 5.0630 8.8644 116.9041 54.1279 32.6394 174.7905 73 L 5.1121 8.5988 122.6957 52.9816 44.8151 175.5909 74 V 4.4621 8.2272 123.4691 61.7902 32.3704 175.1483 75 I 4.2602 8.8082 130.2951 59.4109 37.8007 174.3847 76 P 4.3335 0.0000 0.0000 63.0736 31.6256 176.4570 77 K 4.1610 8.8101 123.0310 58.3914 33.3923 176.5358 78 K 5.1293 7.9203 117.6032 54.7724 34.6870 176.0492 79 V 4.5250 9.0111 121.8711 61.4478 35.9261 173.5233 80 L 4.9573 8.2292 126.1401 54.3112 42.7290 176.1578 81 S 4.9807 9.1149 117.7253 58.0066 66.9513 173.0719 82 N 5.5748 8.9377 118.5397 52.1618 40.7859 174.2271 83 D 4.5316 8.6760 117.3762 57.1821 41.4456 176.5791 84 N 5.1908 8.0673 113.5977 52.6279 41.2823 173.3958 85 N 5.7383 7.8689 115.8273 52.0369 43.7523 173.0946 86 L 5.6364 8.4795 118.0392 56.4145 44.2199 173.4014 87 T 5.8202 8.3339 109.5634 59.6293 72.8027 172.2459 88 L 4.7253 8.2908 120.7103 55.2698 43.8976 173.0479 89 H 5.2837 8.8403 120.2789 54.8843 31.6266 172.8321 90 C 5.1127 8.9948 124.4412 58.1556 30.7114 172.9504 91 H 5.5053 8.5146 118.3913 53.3367 31.9048 173.5313 92 V 4.1301 9.0230 121.0505 62.6231 32.6423 175.3868 93 R 4.0280 8.7203 128.9239 58.6648 29.9825 176.5112 94 G 3.9716 10.6339 113.7280 45.1613 0.0000 173.0540 95 N 4.6063 8.0401 116.1283 53.0494 40.1969 174.4636 96 E 4.2591 8.7453 124.7618 57.8649 29.8220 178.8719 97 K 4.3336 8.4135 120.4602 55.7798 32.3230 181.8688 98 L 4.8521 8.0608 118.3531 53.9708 43.2992 175.7890 99 F 5.1890 8.1012 117.9360 56.1243 42.1277 173.3286 100 V 5.0863 9.1977 111.3275 60.0006 36.3293 174.2582 101 D 5.3150 9.5226 124.8356 52.8518 42.9782 175.4887 102 V 5.0861 9.0685 124.0963 61.2196 34.6531 173.4579 103 Y 5.3801 9.2891 128.5653 55.7850 41.4582 173.8458 104 A 5.0599 8.9199 128.5586 49.7700 22.2987 174.5127 105 K 4.8841 8.7270 123.8024 54.0493 35.0140 175.1456 106 F 3.5647 9.1896 130.8777 58.7153 39.3657 174.0538 107 I 4.2194 6.8541 126.3961 62.1198 38.9630 175.6415 108 E 4.6341 6.0259 116.3446 54.8640 32.0813 173.8338 109 P 5.0650 0.0000 0.0000 61.9492 32.6367 175.7957 110 L 4.2436 8.0747 118.3572 54.2442 42.3193 177.6737 111 V 3.7855 8.1551 119.0109 63.3416 31.4952 175.9102 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 -6 G 8.35 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 -5 L 8.29 4.34 0.00 1.64 1.64 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 -4 V 9.23 4.58 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 0.76 0.00 0.00 1.00 0.00 0.00 -3 P 0.00 4.75 0.00 1.93 2.01 0.00 3.67 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 2.03 2.13 0.00 -2 R 9.37 4.68 0.00 1.66 1.76 0.00 3.13 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 -1 G 8.65 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 0 S 8.67 4.14 0.00 3.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.91 4.37 0.00 2.00 2.10 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 2.58 2.56 0.00 2 I 8.09 4.11 2.10 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 1.30 0.56 0.92 0.00 0.00 3 M 7.43 4.00 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.48 0.00 4 K 8.56 4.26 0.00 1.68 1.68 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.36 7.81 5 D 8.49 4.77 0.00 2.75 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 6 G 7.42 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 7 I 7.72 4.98 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.87 0.00 0.00 8 Y 9.61 4.99 0.00 2.92 2.80 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 9 S 9.22 5.01 0.00 3.84 3.70 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 10 I 8.69 5.26 2.00 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 1.40 0.69 1.20 0.00 0.00 11 I 8.81 4.96 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.86 0.00 0.00 12 F 8.12 6.07 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.42 5.36 1.92 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 1.44 1.49 1.01 0.00 0.00 14 S 9.09 5.59 0.00 3.82 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 15 N 7.95 4.04 0.00 2.38 1.42 0.00 0.00 6.00 7.66 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 16 E 7.53 4.04 0.00 1.82 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 2.27 2.22 0.00 17 D 7.79 4.48 0.00 2.80 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 18 S 7.82 4.81 0.00 4.08 3.75 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 19 C 8.27 5.35 0.00 2.78 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 20 G 7.97 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 0.00 0.00 0.00 21 E 8.07 4.90 0.00 1.74 1.75 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 2.05 2.13 0.00 22 G 8.43 4.21 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 0.00 0.00 0.00 23 I 8.15 5.23 1.91 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 1.12 1.48 0.94 0.00 0.00 24 L 9.02 5.38 0.00 1.82 1.51 0.83 0.96 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 25 I 9.41 5.12 2.01 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 1.13 0.47 0.95 0.00 0.00 26 K 9.08 4.86 0.00 1.82 1.80 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.37 7.81 27 N 9.43 4.62 0.00 2.72 2.36 0.00 0.00 7.24 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 28 G 9.54 3.48 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 0.00 0.00 0.00 29 N 8.72 4.90 0.00 2.64 2.96 0.00 0.00 6.85 7.66 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 30 M 7.91 4.51 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 31 I 9.08 5.16 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.93 0.00 0.00 32 T 8.81 5.08 4.22 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 0.00 0.00 0.00 1.21 0.00 0.00 33 G 7.98 4.03 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 0.00 0.00 0.00 34 G 6.91 3.75 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 0.00 0.00 0.00 35 D 8.54 5.22 0.00 2.95 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 3.76 1.88 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 1.31 1.05 0.96 0.00 0.00 37 A 7.89 4.07 1.06 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 38 S 9.72 5.13 0.00 3.75 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 39 V 8.85 4.19 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 0.67 0.00 0.00 1.01 0.00 0.00 40 Y 7.84 5.97 0.00 2.96 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 41 Q 8.52 5.17 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 42 G 8.41 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 43 V 8.36 4.89 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 0.86 0.00 0.00 0.94 0.00 0.00 44 L 9.11 3.67 0.00 1.62 1.66 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *45 S 9.08 4.06 0.00 3.63 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.05 3.50 0.00 2.08 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 2.16 2.35 0.00 *47 D 7.64 4.60 0.00 2.81 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 48 E 7.41 4.76 0.00 1.91 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 2.22 2.32 0.00 49 D 8.42 4.43 0.00 2.64 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 50 I 8.34 3.89 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.88 0.00 0.00 51 I 8.22 4.52 1.80 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 0.77 0.72 0.00 0.00 52 L 8.80 4.57 0.00 1.54 1.53 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 53 H 9.30 4.64 0.00 3.18 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.27 4.69 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 0.00 0.00 0.65 0.00 0.00 0.67 0.00 0.00 55 H 9.11 5.40 0.00 3.25 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.45 4.42 0.00 1.69 1.47 0.00 3.00 0.00 0.00 2.86 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 57 Y 8.83 4.76 0.00 3.21 3.22 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 0.00 0.00 0.00 0.00 58 N 6.96 4.71 0.00 2.18 2.22 0.00 0.00 7.18 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 59 Y 8.57 4.24 0.00 2.97 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 60 E 8.33 4.26 0.00 2.15 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 2.38 2.33 0.00 61 I 6.94 4.49 1.76 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 1.27 0.56 0.87 0.00 0.00 62 P 0.00 4.40 0.00 2.03 1.98 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 63 S 8.19 4.77 0.00 3.79 3.70 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 64 V 8.56 3.76 2.32 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 0.78 0.00 0.00 1.07 0.00 0.00 65 L 7.54 4.37 0.00 1.39 1.45 0.50 0.76 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 66 N 7.76 4.19 0.00 2.82 2.85 0.00 0.00 6.97 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 67 I 7.79 3.83 1.70 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.11 0.86 0.00 0.00 68 E 8.38 3.91 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 69 Q 7.56 4.74 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 70 D 8.12 4.88 0.00 2.78 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 71 Y 8.06 4.86 0.00 3.00 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 72 Q 8.86 5.06 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.90 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 73 L 8.60 5.11 0.00 1.48 1.47 0.78 0.69 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 74 V 8.23 4.46 1.79 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 0.74 0.00 0.00 0.84 0.00 0.00 75 I 8.81 4.26 1.83 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 1.16 0.90 0.87 0.00 0.00 76 P 0.00 4.33 0.00 2.04 2.01 0.00 3.66 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 2.11 2.14 0.00 77 K 8.81 4.16 0.00 1.84 1.79 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.46 7.81 78 K 7.92 5.13 0.00 1.65 1.69 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.34 7.81 79 V 9.01 4.53 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 1.04 0.00 0.00 0.92 0.00 0.00 80 L 8.23 4.96 0.00 1.82 1.62 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 81 S 9.11 4.98 0.00 4.05 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 82 N 8.94 5.57 0.00 2.79 2.82 0.00 0.00 7.02 8.62 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 83 D 8.68 4.53 0.00 2.61 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 84 N 8.07 5.19 0.00 2.64 2.86 0.00 0.00 6.91 6.92 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 85 N 7.87 5.74 0.00 2.72 2.92 0.00 0.00 6.65 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 86 L 8.48 5.64 0.00 1.80 1.74 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.33 5.82 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 1.47 0.00 0.00 88 L 8.29 4.73 0.00 1.76 1.77 0.92 0.46 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 89 H 8.84 5.28 0.00 3.19 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.99 5.11 0.00 2.83 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 91 H 8.51 5.51 0.00 3.39 3.46 0.00 5.46 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 9.02 4.13 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 0.91 0.00 0.00 0.76 0.00 0.00 93 R 8.72 4.03 0.00 1.78 1.88 0.00 3.33 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 94 G 10.63 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 95 N 8.04 4.61 0.00 2.72 2.68 0.00 0.00 7.19 7.27 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 96 E 8.75 4.26 0.00 1.97 1.91 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 1.99 2.23 0.00 97 K 8.41 4.33 0.00 1.78 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.28 7.81 98 L 8.06 4.85 0.00 1.80 1.53 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.10 5.19 0.00 3.02 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 0.00 100 V 9.20 5.09 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 0.60 0.00 0.00 0.88 0.00 0.00 101 D 9.52 5.32 0.00 2.69 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 0.00 102 V 9.07 5.09 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 1.02 0.00 0.00 0.95 0.00 0.00 103 Y 9.29 5.38 0.00 3.10 2.87 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 0.00 104 A 8.92 5.06 1.10 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 0.00 0.00 105 K 8.73 4.88 0.00 1.57 1.59 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.61 7.81 106 F 9.19 3.56 0.00 2.87 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 0.00 107 I 6.85 4.22 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.77 0.00 0.00 108 E 6.03 4.63 0.00 1.87 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 1.94 2.01 0.00 109 P 0.00 5.07 0.00 2.29 2.32 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 110 L 8.07 4.24 0.00 1.69 1.65 1.01 0.90 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 0.00 111 V 8.16 3.79 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 0.75 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.