NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3444 8.3144 122.1424 53.7307 34.2775 174.9768 8 V 4.3196 7.6550 116.6306 60.7624 34.2888 172.7308 9 L 4.6633 9.3440 131.0179 53.3641 44.0051 174.8992 10 K 4.4648 8.6813 127.1675 55.5415 33.5994 176.0262 11 I 5.0379 8.3931 125.3326 59.4438 40.1457 174.6068 12 Q 4.5961 9.1675 127.7303 54.2503 31.6065 173.9745 13 L 4.8156 8.5845 126.6886 54.1650 42.4078 176.8069 14 R 4.5358 9.7928 123.3606 56.4399 31.2418 175.9887 15 S 4.4593 7.4735 112.4458 57.3029 65.2938 175.4677 16 A 4.1617 8.4743 122.7913 54.2787 18.4579 178.5070 17 S 4.3828 8.1181 111.2971 58.9080 63.4471 174.2019 18 A 4.5904 7.5869 123.6175 51.8112 19.0369 176.9321 19 T 4.4464 8.0555 116.8085 61.0291 71.2325 174.5801 20 V 3.6377 8.3648 125.7950 62.7169 31.9955 173.8730 21 P 5.3244 0.0000 0.0000 62.5280 32.3621 175.7112 22 T 4.7441 8.7579 111.7673 60.2099 71.9436 172.7085 23 K 4.4490 8.3667 126.8019 54.7878 35.4077 174.0318 *25 S 4.0967 8.5205 111.4731 58.3121 63.1143 175.5285 26 A 4.0231 8.6951 130.8620 54.3362 18.6984 177.5831 27 T 4.5037 7.5962 105.6422 61.0453 69.2979 174.2958 28 A 4.3815 7.2821 123.8182 51.9490 20.1872 178.4583 29 A 4.0517 8.5658 124.3922 54.3763 18.7541 177.6573 30 G 4.4207 7.4112 100.0926 43.5878 0.0000 171.5511 31 Y 4.9073 8.7154 117.4635 55.7114 40.7531 175.5700 32 D 4.7939 9.3681 124.6448 54.6085 42.2914 175.2283 33 I 4.8323 8.6486 124.0632 59.8308 39.6252 174.1467 34 Y 5.1802 8.7482 123.8344 55.7455 40.4228 175.5704 35 A 4.5060 9.0723 126.0061 52.4039 19.4686 178.0020 36 S 4.7512 8.6830 115.2463 57.4494 64.0849 173.9124 37 Q 4.5997 7.5954 119.5598 55.0784 31.6639 173.4043 38 D 4.7308 8.7541 126.1465 55.0810 41.7836 175.4028 39 I 4.4618 8.4900 120.4772 60.3985 42.1776 173.0841 40 T 4.9423 8.3618 123.0510 61.8350 71.5019 173.6234 41 I 4.2687 8.9442 128.6272 59.3723 37.9842 173.8352 42 P 4.9472 0.0000 0.0000 62.2080 32.0920 176.4665 43 A 3.9223 8.9921 124.6472 53.6269 18.8973 177.5034 44 M 3.4127 8.0607 120.5398 54.8176 30.6583 176.5516 45 G 4.3826 7.6695 104.7645 45.7168 0.0000 171.8956 46 Q 5.1444 8.6216 116.0163 55.5452 32.0658 173.8000 47 G 4.1601 8.6959 106.3761 45.9942 0.0000 171.1394 48 M 5.3147 8.4497 118.6656 53.6348 35.2440 174.7348 49 V 4.3488 8.7633 126.3084 61.3235 33.6171 175.3147 50 S 4.8679 8.7002 124.0425 58.8092 63.6667 174.9471 51 T 4.5232 8.5846 110.3943 60.6180 70.2540 173.7484 52 D 4.4851 8.4039 120.7778 54.9556 39.3774 172.5972 53 I 4.7971 7.4778 110.2388 59.3080 40.9935 174.3618 54 S 5.0957 8.7720 119.2220 56.9028 66.3932 173.0400 55 F 5.4512 7.8800 115.3973 55.9058 41.1840 173.7903 56 T 4.6238 8.6739 117.9089 62.1524 69.9106 174.9524 57 V 4.2054 8.5774 119.9899 60.1162 32.6620 174.5824 58 P 4.4811 0.0000 0.0000 62.1521 32.5765 176.3363 59 V 3.4628 8.3748 121.2736 65.0498 31.7972 176.4800 60 G 3.9944 9.2547 113.5331 45.6725 0.0000 172.2617 61 T 5.9731 7.7897 108.0493 58.9248 72.2018 172.1082 62 Y 4.9135 8.5344 119.1403 55.1078 42.2148 174.3716 63 G 4.1324 9.1186 107.3610 44.9303 0.0000 172.8808 64 R 4.9766 8.5520 128.2491 55.1461 31.6005 175.4131 65 I 4.6491 8.8335 128.7741 60.9439 37.3822 175.1995 66 A 5.0208 9.1494 129.5890 48.8871 22.4096 173.5979 67 P 4.6282 0.0000 0.0000 62.6058 32.6280 176.4747 68 R 4.1503 8.4510 120.8513 56.0310 31.2474 177.9889 69 S 4.2188 8.8694 119.1517 61.5587 62.8074 177.1744 70 G 3.5775 7.9698 107.8856 47.9014 0.0000 175.5953 71 L 3.8476 7.9061 121.0991 57.2067 41.2895 179.3370 72 A 4.3703 7.7365 121.7374 54.6271 18.0938 179.8333 73 V 3.5853 7.4231 115.2313 65.8013 31.7868 178.0496 74 K 4.2447 8.1283 117.3581 58.2757 32.1833 177.3878 75 N 4.7929 7.3767 111.5740 51.5673 40.8272 174.2586 76 G 3.9681 7.9604 106.1187 47.2378 0.0000 173.1173 77 I 4.5569 7.3362 120.3147 60.5246 38.6805 175.0076 78 Q 4.8477 9.0361 126.9892 54.2850 32.4859 174.3298 79 T 4.4891 8.8123 116.4812 61.8535 69.9472 173.8806 80 G 4.2216 8.3993 111.8762 43.8154 0.0000 175.3959 81 A 3.6265 9.8129 123.8977 53.1258 18.4449 178.3964 82 G 4.0143 8.9398 107.5966 47.3348 0.0000 172.3785 83 V 4.6432 7.6162 120.0503 61.7039 32.2878 175.2860 84 V 4.2412 8.9345 130.0768 61.1788 33.1570 175.0348 85 D 4.9141 8.6361 128.0513 54.0211 41.6299 177.8516 86 R 4.0438 8.9130 121.2793 58.9317 30.2647 176.9684 87 D 4.6441 7.9675 114.7566 53.1490 40.0997 175.6242 88 Y 4.1149 7.9363 123.2058 58.4541 38.7569 175.8169 89 T 4.2035 7.8544 116.0367 61.0330 69.4149 174.6605 90 G 3.5116 5.3800 110.6410 44.1807 0.0000 172.6475 91 E 4.1490 8.3396 119.9734 55.7370 30.1763 176.3806 92 V 4.0439 8.4171 126.8443 62.6157 31.9471 175.2725 93 K 4.8553 8.7135 126.7997 54.5751 35.5060 175.5555 94 V 4.2854 8.2104 123.2642 61.0851 33.5936 174.8685 95 V 4.1939 8.2779 128.5991 62.6645 32.6938 174.5367 96 L 5.1047 8.6143 127.1183 52.9133 45.6508 175.2976 97 F 5.3217 9.3162 121.3556 55.8106 41.9535 174.2339 98 N 5.1624 9.5821 122.2211 52.5159 40.3290 174.3214 99 H 4.7763 9.1563 123.7393 56.4836 29.9195 175.8940 100 S 4.6202 8.4694 114.9425 57.3485 65.0106 174.8909 101 Q 4.2880 8.7378 117.0771 57.0925 28.8618 176.2294 102 R 4.7523 7.5754 117.3681 53.8269 32.5451 175.6405 103 D 4.7003 8.9755 123.1571 55.1391 42.0234 176.1731 104 F 5.0080 9.1126 124.3364 56.5495 40.9850 173.8907 105 A 4.5476 8.3032 128.3874 51.1874 19.6787 176.2387 106 I 4.2296 8.7324 123.0451 59.2072 40.7779 174.8704 107 K 4.9515 8.6075 125.1535 53.8074 35.2567 175.6325 108 K 4.0561 9.4262 124.4329 58.6533 32.1821 176.7664 109 G 4.1619 9.1736 115.2720 45.1278 0.0000 173.2346 110 D 4.6841 8.1179 120.4848 53.8681 42.2126 176.1387 111 R 4.1608 8.4699 121.8752 56.5572 30.1713 176.7843 112 V 4.5818 8.6182 115.3242 60.9535 34.1017 174.7505 113 A 4.6045 7.4953 120.9097 51.3349 22.6269 174.5836 114 Q 5.0456 8.8768 116.7033 54.4542 32.1219 174.3836 115 L 4.7662 8.9999 123.7306 53.9437 44.0026 175.0180 116 I 4.6267 8.6174 127.3472 59.4846 40.0084 175.5730 117 L 4.3058 8.5698 127.7459 54.1063 40.1754 174.5650 118 E 4.0829 8.1695 121.8760 55.6446 30.6749 176.2232 119 K 4.8851 8.6794 125.2481 56.4360 32.7762 176.4131 120 I 4.7680 8.6929 117.5325 59.3478 41.3895 174.9334 121 V 4.0639 8.4325 123.0668 61.9694 31.2763 175.1775 122 D 4.8971 8.6964 126.4003 53.2068 40.2414 176.1338 123 D 4.9140 7.7981 119.2259 52.9179 39.9659 175.6464 124 A 4.2155 8.0768 122.6799 52.6286 19.2211 178.1726 125 Q 4.1868 8.4755 120.8976 55.8523 29.6213 175.6947 126 I 4.2042 8.1241 122.4926 60.3634 38.3500 175.5697 127 V 4.3098 8.0678 123.5456 61.2765 34.2296 173.9841 128 V 4.2686 8.4189 126.9036 61.2622 32.6451 175.0688 129 V 4.5853 7.9529 119.5086 59.2963 34.9894 175.5961 130 D 4.5369 8.7873 122.3519 57.1440 40.8583 177.0627 131 S 4.6569 7.4778 109.7813 56.8480 65.9129 173.7839 132 L 4.2160 8.3701 120.2019 55.1393 41.5367 176.8831 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 7 K 8.31 4.34 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 V 7.65 4.32 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 0.94 0.00 0.00 9 L 9.34 4.66 0.00 1.45 1.37 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.68 4.46 0.00 1.80 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.42 7.81 11 I 8.39 5.04 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 0.96 0.00 0.00 12 Q 9.17 4.60 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 13 L 8.58 4.82 0.00 1.56 1.59 0.91 0.96 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 14 R 9.79 4.54 0.00 1.76 1.95 0.00 3.15 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 15 S 7.47 4.46 0.00 3.94 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 16 A 8.47 4.16 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 17 S 8.12 4.38 0.00 3.92 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 18 A 7.59 4.59 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 19 T 8.06 4.45 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 0.43 0.00 0.00 20 V 8.36 3.64 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 0.81 0.00 0.00 0.92 0.00 0.00 21 P 0.00 5.32 0.00 2.02 2.28 0.00 3.73 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 22 T 8.76 4.74 4.35 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 0.00 0.00 0.00 1.32 0.00 0.00 23 K 8.37 4.45 0.00 1.23 1.52 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.51 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.15 0.94 7.81 *25 S 8.52 4.10 0.00 3.88 3.71 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 26 A 8.70 4.02 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 27 T 7.60 4.50 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 1.19 0.00 0.00 28 A 7.28 4.38 1.14 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 29 A 8.57 4.05 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 30 G 7.41 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.72 4.91 0.00 2.86 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 32 D 9.37 4.79 0.00 2.55 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 0.00 0.00 0.00 0.00 33 I 8.65 4.83 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.89 1.01 0.00 0.00 34 Y 8.75 5.18 0.00 2.83 2.89 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 35 A 9.07 4.51 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 36 S 8.68 4.75 0.00 3.89 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 37 Q 7.60 4.60 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 38 D 8.75 4.73 0.00 2.56 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 39 I 8.49 4.46 1.86 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 1.45 0.67 0.89 0.00 0.00 40 T 8.36 4.94 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 1.22 0.00 0.00 41 I 8.94 4.27 2.11 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 1.44 1.36 1.02 0.00 0.00 42 P 0.00 4.95 0.00 1.97 2.02 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 43 A 8.99 3.92 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 44 M 8.06 3.41 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 45 G 7.67 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 0.00 0.00 0.00 0.00 46 Q 8.62 5.14 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 47 G 8.70 4.16 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 0.00 0.00 0.00 48 M 8.45 5.31 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 49 V 8.76 4.35 2.10 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 0.93 0.00 0.00 0.96 0.00 0.00 50 S 8.70 4.87 0.00 3.84 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 51 T 8.58 4.52 4.34 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 1.32 0.00 0.00 52 D 8.40 4.49 0.00 2.89 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 53 I 7.48 4.80 1.98 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 0.97 0.00 0.00 54 S 8.77 5.10 0.00 3.85 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 55 F 7.88 5.45 0.00 2.92 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 56 T 8.67 4.62 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 1.30 0.00 0.00 57 V 8.58 4.21 2.10 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 0.82 0.00 0.00 1.05 0.00 0.00 58 P 0.00 4.48 0.00 2.08 1.97 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 59 V 8.37 3.46 2.10 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 0.79 0.00 0.00 0.95 0.00 0.00 60 G 9.25 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 0.00 0.00 0.00 61 T 7.79 5.97 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 1.22 0.00 0.00 62 Y 8.53 4.91 0.00 3.27 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 63 G 9.12 4.13 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 0.00 64 R 8.55 4.98 0.00 1.65 1.74 0.00 3.21 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 65 I 8.83 4.65 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.96 0.00 0.00 66 A 9.15 5.02 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.63 0.00 2.08 2.07 0.00 3.78 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 1.99 2.22 0.00 68 R 8.45 4.15 0.00 1.88 1.87 0.00 3.08 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 69 S 8.87 4.22 0.00 3.84 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 70 G 7.97 3.58 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 0.00 0.00 0.00 71 L 7.91 3.85 0.00 1.62 1.50 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.74 4.37 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 73 V 7.42 3.59 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 0.85 0.00 0.00 0.95 0.00 0.00 74 K 8.13 4.24 0.00 1.90 1.84 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.46 7.81 75 N 7.38 4.79 0.00 2.26 2.22 0.00 0.00 6.85 7.65 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 76 G 7.96 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 77 I 7.34 4.56 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.61 0.85 0.00 0.00 78 Q 9.04 4.85 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 79 T 8.81 4.49 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 1.27 0.00 0.00 80 G 8.40 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 0.00 0.00 0.00 0.00 81 A 9.81 3.63 1.05 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 82 G 8.94 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 83 V 7.62 4.64 2.03 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 0.52 0.00 0.00 0.89 0.00 0.00 84 V 8.93 4.24 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.02 0.00 0.00 85 D 8.64 4.91 0.00 2.81 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 86 R 8.91 4.04 0.00 1.86 2.04 0.00 3.30 0.00 0.00 3.53 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 87 D 7.97 4.64 0.00 2.84 2.79 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 88 Y 7.94 4.11 0.00 3.06 2.99 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 89 T 7.85 4.20 4.07 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 0.00 0.00 1.17 0.00 0.00 90 G 5.38 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 4.15 0.00 1.93 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 2.31 2.30 0.00 92 V 8.42 4.04 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 0.87 0.00 0.00 0.43 0.00 0.00 93 K 8.71 4.86 0.00 1.63 1.67 0.00 1.79 0.00 0.00 1.91 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.35 7.81 94 V 8.21 4.29 2.10 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 0.95 0.00 0.00 0.98 0.00 0.00 95 V 8.28 4.19 2.05 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 0.47 0.00 0.00 0.83 0.00 0.00 96 L 8.61 5.10 0.00 1.60 1.50 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 97 F 9.32 5.32 0.00 3.04 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 98 N 9.58 5.16 0.00 2.76 2.92 0.00 0.00 6.99 8.17 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 99 H 9.16 4.78 0.00 3.16 3.33 0.00 5.70 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 0.00 100 S 8.47 4.62 0.00 3.90 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 0.00 101 Q 8.74 4.29 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 102 R 7.58 4.75 0.00 1.71 1.86 0.00 3.25 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 103 D 8.98 4.70 0.00 2.60 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 0.00 104 F 9.11 5.01 0.00 3.00 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 0.00 105 A 8.30 4.55 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 0.00 106 I 8.73 4.23 1.85 0.00 0.00 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 0.80 -0.10 0.84 0.00 0.00 107 K 8.61 4.95 0.00 1.65 1.66 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.45 7.81 108 K 9.43 4.06 0.00 1.67 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 109 G 9.17 4.16 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 0.00 0.00 0.00 110 D 8.12 4.68 0.00 2.71 2.58 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 0.00 111 R 8.47 4.16 0.00 1.55 1.68 0.00 3.13 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.00 112 V 8.62 4.58 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 0.74 0.00 0.00 1.00 0.00 0.00 113 A 7.50 4.60 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 0.00 114 Q 8.88 5.05 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 115 L 9.00 4.77 0.00 1.65 1.67 0.67 -0.14 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 0.00 116 I 8.62 4.63 1.80 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 1.21 0.62 0.92 0.00 0.00 117 L 8.57 4.31 0.00 1.53 1.59 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.17 4.08 0.00 1.21 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 2.15 2.01 0.00 119 K 8.68 4.89 0.00 1.66 1.77 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 120 I 8.69 4.77 1.95 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 0.71 1.21 0.00 0.00 121 V 8.43 4.06 2.10 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 0.86 0.00 0.00 0.95 0.00 0.00 122 D 8.70 4.90 0.00 2.83 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 0.00 123 D 7.80 4.91 0.00 2.76 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 0.00 124 A 8.08 4.22 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 0.00 125 Q 8.48 4.19 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 126 I 8.12 4.20 1.87 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 0.57 0.91 0.00 0.00 127 V 8.07 4.31 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 0.78 0.00 0.00 0.93 0.00 0.00 128 V 8.42 4.27 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 0.88 0.00 0.00 0.93 0.00 0.00 129 V 7.95 4.59 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 0.81 0.00 0.00 0.93 0.00 0.00 130 D 8.79 4.54 0.00 2.66 2.73 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 0.00 0.00 0.00 0.00 131 S 7.48 4.66 0.00 3.92 3.77 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 0.00 132 L 8.37 4.22 0.00 1.65 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.