NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3078 8.1329 117.3741 63.7865 70.6512 176.4548 6 Q 3.8834 8.2128 121.3179 60.0476 28.0851 178.8373 7 S 4.4124 8.2153 116.7092 61.6254 62.9806 176.0696 8 L 3.9091 7.9213 122.2908 58.1229 41.5414 178.9774 9 R 3.9450 7.7793 118.0099 59.1290 30.3503 178.0369 10 E 4.0988 8.3754 119.0597 59.2998 29.0494 179.1371 11 V 3.6169 7.8468 117.7875 66.2585 31.2212 177.9172 12 I 3.7163 7.4740 120.4658 64.4850 37.0645 178.7568 13 K 4.1795 7.7514 123.5547 59.2414 31.3315 183.1410 14 A 4.3288 7.4361 121.0544 52.5233 18.1497 179.4694 *16 T 4.2973 8.0972 122.0427 65.0406 70.5598 175.9792 17 K 4.3596 9.0283 121.1594 54.7886 33.5836 180.6935 18 A 4.1849 8.0404 121.5371 53.7379 18.6662 177.9128 19 R 4.4699 8.2943 116.9165 56.3043 30.9982 177.9184 20 N 4.8271 7.6901 113.5647 52.9919 39.4813 174.9485 21 F 4.2326 8.8106 117.9365 60.9847 39.4372 177.4958 22 E 4.0739 9.6034 119.3850 59.1500 29.1665 178.9833 23 R 3.9141 7.6446 116.3012 59.0841 29.0836 178.9561 24 V 3.6605 7.1408 111.3888 62.9566 31.6425 176.5714 25 L 4.4982 7.6153 118.3151 54.1274 41.8876 178.2702 26 G 3.7769 7.7904 110.1546 48.6956 0.0000 175.1413 27 K 4.2178 7.9158 116.5060 56.9937 32.5556 177.1919 28 I 4.2265 7.4178 113.2441 60.7435 38.4656 175.2551 29 T 4.7148 8.5594 111.2053 59.8443 72.1614 172.3679 30 L 4.5291 8.5162 125.7597 54.8008 42.7660 175.5643 31 V 4.2882 8.6271 126.5785 64.3288 32.5871 175.7218 32 S 4.8112 7.6374 112.6125 57.1821 66.3133 172.4396 33 A 5.1747 8.4155 121.6832 50.4717 21.8726 175.2246 34 A 4.5756 9.0437 123.8934 49.5652 22.7604 173.5979 35 P 5.0946 0.0000 0.0000 63.6266 31.6127 176.8284 36 G 3.9634 9.1324 110.0941 45.7838 0.0000 172.1631 37 K 5.3683 8.2126 121.1080 54.7743 35.7609 174.9855 38 V 4.8267 8.4667 126.7972 61.0795 35.1979 173.8539 39 I 5.0170 8.6602 127.7434 59.8588 40.0131 174.4941 40 C 5.3789 8.9735 123.6829 58.1543 32.6936 172.3669 41 E 5.3102 8.7337 118.0655 53.9335 33.9183 174.3098 *43 K 4.3544 8.4817 120.0498 56.7256 33.3331 175.8086 44 V 4.0638 8.8439 127.7346 62.7174 32.7750 174.9659 45 E 5.0051 8.7510 125.6707 53.8784 33.8175 175.9017 46 E 3.9156 8.8799 120.1354 59.6190 29.4025 178.5867 47 E 4.0772 8.0346 114.2945 58.4444 29.8147 176.7786 48 H 4.8068 8.4228 116.9259 55.7759 29.5107 174.5362 49 T 4.9660 7.5872 110.5003 60.3520 70.7567 173.9589 50 N 4.9655 8.4927 119.9233 51.2480 39.6951 175.3758 51 A 4.0548 8.5727 119.9882 54.8728 18.4506 178.3841 52 I 4.1130 7.9787 107.0798 60.7317 38.1660 176.4446 53 G 3.9075 8.4196 109.4715 45.4413 0.0000 172.7833 54 T 4.7289 8.1530 109.8120 58.6490 72.5023 173.0370 55 L 4.3263 8.9048 124.0822 56.0228 42.5541 176.3207 56 H 4.1722 9.3818 127.2441 56.0327 30.5890 176.5705 57 G 3.7450 8.7395 112.1390 47.8695 0.0000 176.1585 58 G 3.7792 8.3680 107.5603 47.4518 0.0000 175.5608 59 L 4.0526 8.0393 122.2175 58.3644 42.1918 178.7810 60 T 3.7365 8.0614 115.4633 66.7652 68.3357 176.3591 61 A 4.0128 8.1186 122.5546 55.4551 18.3486 179.8707 62 T 3.9158 8.1985 114.4491 66.7337 68.5144 176.9324 63 L 3.9694 8.7508 121.9443 57.7200 41.6317 179.7547 64 V 3.5388 8.0263 118.3189 65.9906 31.6075 177.2797 65 D 4.1793 8.1788 117.7393 57.5834 40.8403 178.0980 66 N 4.3465 8.1652 115.6116 56.6124 38.7656 177.4950 67 I 3.8823 7.7327 119.6168 63.9612 37.4870 178.2272 68 S 4.3073 8.0745 114.4301 61.4772 62.2761 177.7700 69 T 4.1467 7.7354 117.7328 63.5286 67.9763 176.0430 *71 A 4.2833 8.1426 126.2526 52.2727 20.6293 180.0005 72 L 4.0597 7.7094 115.3697 57.8445 41.3963 179.4882 73 L 4.3417 8.0145 117.5758 56.8478 41.7339 177.9899 74 C 4.6049 7.6702 116.3697 58.8977 28.1849 173.2692 75 T 4.7349 6.9647 111.8701 59.6476 70.4106 174.4016 76 E 4.0079 8.7676 121.9775 59.5859 29.5198 177.9174 77 R 3.8684 8.1893 118.2551 57.9299 30.2417 177.8316 78 G 3.9564 7.8107 102.4666 46.0360 0.0000 172.8244 79 A 4.3856 7.2780 122.8134 50.2752 19.5205 176.9901 80 P 4.1940 0.0000 0.0000 64.1367 31.7818 177.6494 81 G 3.9677 7.9802 105.2966 44.6155 0.0000 172.1451 82 V 4.4709 8.0000 118.6001 60.4970 34.2892 175.1690 83 S 4.0938 8.7611 122.9824 59.4468 62.9146 172.8918 84 V 4.1928 8.9734 123.1428 64.2503 33.0271 175.2213 85 D 4.9665 7.4372 117.6435 52.5042 45.8522 173.0846 *87 N 4.8357 8.5210 114.8354 53.4438 38.9121 173.5657 88 I 4.9829 8.2449 121.2495 59.8864 41.1392 174.4725 89 T 4.5693 8.8280 123.7055 62.1098 70.5765 173.5062 90 Y 4.7898 8.6602 123.9094 56.4435 40.4002 175.1905 *92 S 4.3350 8.3008 114.8119 57.5990 64.7423 171.5472 93 P 4.5284 0.0000 0.0000 62.7167 32.3821 175.6663 94 A 4.8742 8.6240 126.9291 50.8767 20.9173 177.6709 95 K 4.4605 9.5502 124.5857 53.7094 32.8678 172.9362 96 L 4.2503 8.1831 119.7704 57.6159 42.2745 177.6677 97 G 4.0081 8.9715 114.0878 45.4960 0.0000 173.4574 98 E 4.1665 7.9516 121.7048 56.2705 31.1412 175.0922 99 D 5.2409 8.6828 126.0032 52.9934 42.8514 175.4116 100 I 5.0102 8.3598 116.5115 59.0150 41.3008 174.2680 101 V 4.7262 8.8813 123.6776 61.2451 34.2957 174.2169 102 I 4.7914 8.8111 129.0367 60.0913 39.5135 174.6127 103 T 5.0033 9.1676 124.9987 61.6412 71.0582 173.3129 104 A 5.2692 8.7642 128.4770 50.4011 22.1848 174.7328 105 H 5.2620 9.0891 118.1841 53.8872 32.9160 172.9227 106 V 4.1047 8.8311 124.1905 62.7519 31.3394 175.7433 107 L 4.3408 9.1600 129.3701 57.3647 42.3725 177.3364 108 K 4.7376 7.9670 117.2021 55.7268 35.6997 174.6352 109 Q 4.9863 8.7359 123.3714 55.1455 31.6527 174.1506 110 G 4.3570 8.9017 117.4008 45.0001 0.0000 173.9001 111 K 4.1897 8.9200 120.7385 57.3152 32.0519 174.1150 112 T 4.7471 7.8985 106.6088 60.6928 71.0931 173.5691 113 L 5.1713 7.9434 122.0667 52.8504 45.7078 175.1230 114 A 5.1168 8.6900 124.5476 50.0040 22.6325 174.7590 115 F 5.2106 9.6353 119.7322 56.0096 42.2216 174.7540 116 T 5.2347 9.4434 119.6520 61.8048 72.9225 172.8675 117 S 5.1084 8.8846 117.5098 56.6739 66.0405 172.7753 118 V 4.8709 9.3111 126.6960 61.2242 34.6511 173.5397 119 D 5.3286 9.3296 128.0603 52.6045 43.2677 175.1849 120 L 5.1273 8.8939 124.9085 53.9208 43.4442 176.0463 121 T 5.0183 8.8690 113.3832 59.6487 72.9804 172.3516 122 N 4.7761 9.0750 122.4553 53.0098 39.4208 175.5271 123 K 3.6849 9.1136 128.9056 59.8763 32.3357 178.0622 124 A 4.1484 8.3990 121.8489 54.9508 18.5502 178.1850 125 T 4.1884 8.5317 104.1427 61.2672 69.7639 176.0748 126 G 3.8612 9.1274 113.0425 46.0468 0.0000 174.1331 127 K 4.2613 7.8866 124.1158 54.3585 32.9461 180.5612 128 L 4.3583 8.5495 127.3027 55.0376 42.0538 176.3217 129 I 4.4609 9.3800 127.8264 62.3741 38.4994 175.9093 130 A 4.5211 7.2753 119.5909 51.2328 22.4098 174.9883 131 Q 4.8625 8.7261 120.7785 54.2932 32.7744 174.4003 132 G 4.4917 9.3067 112.3230 44.6095 0.0000 171.3942 133 R 5.2699 8.8995 120.3343 54.3435 33.4686 174.8211 134 H 5.1490 9.4682 122.2744 54.7751 33.6401 171.9073 135 T 4.7139 9.1527 122.6065 61.8252 70.6152 173.4918 136 K 4.8126 8.7092 126.3299 54.7060 35.8673 174.8526 137 H 5.1187 9.7043 123.9588 54.7565 31.3791 174.8294 138 L 4.2559 8.8853 125.7987 54.8821 41.2345 176.8339 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 5 T 8.13 4.31 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 6 Q 8.21 3.88 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.08 0.00 7 S 8.22 4.41 0.00 3.85 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 8 L 7.92 3.91 0.00 1.75 1.82 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.78 3.94 0.00 2.08 2.13 0.00 3.31 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 10 E 8.38 4.10 0.00 2.17 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 2.49 2.45 0.00 11 V 7.85 3.62 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 1.07 0.00 0.00 0.93 0.00 0.00 12 I 7.47 3.72 2.01 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 1.38 0.84 0.90 0.00 0.00 13 K 7.75 4.18 0.00 1.90 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.33 7.81 14 A 7.44 4.33 1.28 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 0.00 0.00 *16 T 8.10 4.30 4.38 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 1.20 0.00 0.00 17 K 9.03 4.36 0.00 1.76 1.69 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.22 7.81 18 A 8.04 4.18 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 19 R 8.29 4.47 0.00 1.83 1.83 0.00 3.27 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 20 N 7.69 4.83 0.00 3.01 3.06 0.00 0.00 5.91 8.12 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 21 F 8.81 4.23 0.00 3.14 3.13 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 22 E 9.60 4.07 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 23 R 7.64 3.91 0.00 1.96 2.37 0.00 2.73 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 24 V 7.14 3.66 1.80 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 0.02 0.00 0.00 0.56 0.00 0.00 25 L 7.62 4.50 0.00 1.78 1.63 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.79 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 27 K 7.92 4.22 0.00 1.82 1.91 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.52 7.81 28 I 7.42 4.23 1.85 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 1.67 0.51 0.92 0.00 0.00 29 T 8.56 4.71 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 30 L 8.52 4.53 0.00 1.65 1.59 0.99 0.93 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 31 V 8.63 4.29 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 0.83 0.00 0.00 0.96 0.00 0.00 32 S 7.64 4.81 0.00 3.88 3.88 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 0.00 0.00 0.00 33 A 8.42 5.17 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 34 A 9.04 4.58 1.22 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 0.00 0.00 35 P 0.00 5.09 0.00 2.06 2.05 0.00 3.88 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 36 G 9.13 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 37 K 8.21 5.37 0.00 1.78 1.60 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.16 7.81 38 V 8.47 4.83 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 0.95 0.00 0.00 0.95 0.00 0.00 39 I 8.66 5.02 1.86 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 1.20 0.52 0.90 0.00 0.00 40 C 8.97 5.38 0.00 2.83 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 41 E 8.73 5.31 0.00 1.83 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 2.36 2.07 0.00 *43 K 8.48 4.35 0.00 1.80 1.77 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 44 V 8.84 4.06 2.25 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 1.03 0.00 0.00 1.02 0.00 0.00 45 E 8.75 5.01 0.00 1.89 1.74 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 2.28 2.28 0.00 46 E 8.88 3.92 0.00 1.98 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 0.00 2.37 2.32 0.00 47 E 8.03 4.08 0.00 2.03 1.98 0.00 0.00 0.00 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 1.82 0.00 48 H 8.42 4.81 0.00 3.33 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.59 4.97 4.26 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 1.32 0.00 0.00 50 N 8.49 4.97 0.00 2.92 2.96 0.00 0.00 7.26 8.87 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 51 A 8.57 4.05 1.31 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 0.00 0.00 52 I 7.98 4.11 1.86 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 1.43 0.73 0.89 0.00 0.00 53 G 8.42 3.91 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 0.00 0.00 0.00 54 T 8.15 4.73 4.38 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 1.21 0.00 0.00 55 L 8.90 4.33 0.00 1.76 1.70 1.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.38 4.17 0.00 3.42 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.74 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 58 G 8.37 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 59 L 8.04 4.05 0.00 1.83 1.91 0.90 0.84 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 60 T 8.06 3.74 4.68 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 1.18 0.00 0.00 61 A 8.12 4.01 1.48 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 62 T 8.20 3.92 4.49 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 1.36 0.00 0.00 63 L 8.75 3.97 0.00 1.84 1.71 0.91 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.03 3.54 2.19 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 0.95 0.00 0.00 0.92 0.00 0.00 65 D 8.18 4.18 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 66 N 8.17 4.35 0.00 2.86 2.88 0.00 0.00 7.20 7.98 0.00 0.00 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 7.73 3.88 1.97 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 1.40 0.55 0.90 0.00 0.00 68 S 8.07 4.31 0.00 3.96 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 0.00 69 T 7.74 4.15 4.47 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 1.22 0.00 0.00 *71 A 8.14 4.28 1.38 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 0.00 0.00 72 L 7.71 4.06 0.00 1.90 1.83 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.01 4.34 0.00 1.62 1.73 0.92 0.85 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 74 C 7.67 4.60 0.00 3.13 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 75 T 6.96 4.73 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 76 E 8.77 4.01 0.00 1.93 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 0.00 2.30 2.38 0.00 77 R 8.19 3.87 0.00 1.88 1.91 0.00 3.36 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 78 G 7.81 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 79 A 7.28 4.39 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 80 P 0.00 4.19 0.00 2.18 2.18 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 81 G 7.98 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 82 V 8.00 4.47 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 0.97 0.00 0.00 0.91 0.00 0.00 83 S 8.76 4.09 0.00 3.83 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 84 V 8.97 4.19 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 0.73 0.00 0.00 0.91 0.00 0.00 85 D 7.44 4.97 0.00 2.60 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 N 8.52 4.84 0.00 2.88 3.01 0.00 0.00 5.72 7.82 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 88 I 8.24 4.98 1.70 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 1.24 0.63 0.22 0.00 0.00 89 T 8.83 4.57 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 1.22 0.00 0.00 90 Y 8.66 4.79 0.00 2.84 2.90 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 *92 S 8.30 4.33 0.00 3.94 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 93 P 0.00 4.53 0.00 1.97 2.03 0.00 3.66 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 2.03 2.11 0.00 94 A 8.62 4.87 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 95 K 9.55 4.46 0.00 1.64 1.71 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.24 7.81 96 L 8.18 4.25 0.00 1.60 1.61 0.92 1.04 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 97 G 8.97 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 0.00 0.00 0.00 98 E 7.95 4.17 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 2.30 0.00 99 D 8.68 5.24 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 5.01 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 1.22 0.77 0.92 0.00 0.00 101 V 8.88 4.73 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 1.11 0.00 0.00 0.93 0.00 0.00 102 I 8.81 4.79 1.86 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 1.22 0.52 0.90 0.00 0.00 103 T 9.17 5.00 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 1.17 0.00 0.00 104 A 8.76 5.27 1.21 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 0.00 105 H 9.09 5.26 0.00 3.04 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.83 4.10 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 0.78 0.00 0.00 0.95 0.00 0.00 107 L 9.16 4.34 0.00 1.73 1.73 0.96 0.74 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 0.00 108 K 7.97 4.74 0.00 1.84 1.63 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.66 7.81 109 Q 8.74 4.99 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 110 G 8.90 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 0.00 0.00 0.00 0.00 111 K 8.92 4.19 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 112 T 7.90 4.75 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 1.23 0.00 0.00 113 L 7.94 5.17 0.00 1.66 1.40 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.69 5.12 1.09 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 0.00 0.00 115 F 9.64 5.21 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 9.44 5.23 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 1.26 0.00 0.00 117 S 8.88 5.11 0.00 3.90 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 0.00 118 V 9.31 4.87 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 1.03 0.00 0.00 0.94 0.00 0.00 119 D 9.33 5.33 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.89 5.13 0.00 1.60 1.58 0.89 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.87 5.02 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 0.00 122 N 9.07 4.78 0.00 2.88 2.74 0.00 0.00 7.12 6.35 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 0.00 123 K 9.11 3.68 0.00 1.78 1.89 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 124 A 8.40 4.15 1.32 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 0.00 125 T 8.53 4.19 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 1.22 0.00 0.00 126 G 9.13 3.86 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 0.00 0.00 0.00 127 K 7.89 4.26 0.00 1.48 1.70 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.26 7.81 128 L 8.55 4.36 0.00 1.63 1.61 0.92 1.03 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 0.00 129 I 9.38 4.46 1.93 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 1.66 1.02 0.00 0.00 130 A 7.28 4.52 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.73 4.86 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.57 0.00 132 G 9.31 4.49 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 0.00 133 R 8.90 5.27 0.00 1.99 1.87 0.00 3.18 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 134 H 9.47 5.15 0.00 3.13 3.09 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 0.00 135 T 9.15 4.71 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 0.85 0.00 0.00 136 K 8.71 4.81 0.00 1.48 1.63 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.95 1.05 7.81 137 H 9.70 5.12 0.00 2.99 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.89 4.26 0.00 1.48 1.50 0.89 1.02 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 * Residues marked with a * may have inaccurate shift predictions.