NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3168 8.1593 117.3856 64.0421 69.0801 173.6949 3 T 4.1281 7.5879 117.0053 59.5341 71.7296 173.1807 4 P 4.0032 0.0000 0.0000 65.6534 31.7227 180.1145 5 S 4.1226 7.9278 111.2959 61.7534 62.3623 175.7974 6 M 4.0342 7.9401 121.2810 58.5892 31.5896 178.6575 7 E 3.9601 8.3571 118.6001 59.5247 29.6528 179.1208 8 D 4.3906 8.3098 118.9237 57.5270 40.7601 178.5760 9 Y 3.8859 8.2426 117.1740 61.1561 37.9260 178.4781 10 I 3.7737 8.0481 120.8900 64.3069 37.1712 178.0905 11 E 3.9672 8.5133 120.4155 59.3971 29.4816 178.7345 12 Q 3.9957 8.1985 119.5579 59.2142 29.1241 178.1650 13 I 3.7707 8.2063 121.2677 64.4701 37.1665 177.7323 14 Y 3.9989 8.2975 120.3894 61.0825 38.5934 178.1450 15 M 4.1544 8.3041 119.5957 58.3699 31.9647 178.7780 16 L 3.9242 8.1203 119.1866 57.8091 41.7045 179.6148 17 I 3.6073 7.6952 119.7280 64.4882 36.8028 178.4313 18 E 3.8025 7.6803 118.2765 58.8973 29.2513 178.8685 19 E 3.9902 8.0063 118.8790 58.9555 30.0065 178.1884 20 K 4.0814 8.4097 116.6003 55.9987 32.9660 177.7664 21 G 3.9042 9.3932 107.3329 44.8207 0.0000 172.1376 22 Y 4.8758 6.2525 114.9942 56.1575 40.6803 173.7566 23 A 4.7712 8.5948 120.5094 50.5189 22.4103 175.2545 24 R 4.5708 8.6917 121.3570 54.6365 32.7550 177.8114 25 V 3.7015 8.6970 121.5120 66.3840 31.5925 178.6726 26 S 4.1873 8.0799 113.4691 61.6423 62.9265 176.1126 27 D 4.4485 8.0318 121.8838 56.8546 40.6380 178.6665 28 I 3.7514 7.8122 120.1796 64.1251 37.1538 178.1276 29 A 4.0116 8.1023 121.6897 55.1655 18.0857 179.3736 30 E 3.8567 8.1579 117.1967 59.3798 29.5395 178.8374 31 A 3.9930 7.9483 119.6733 54.5128 18.5494 178.6216 32 L 4.2740 7.8367 113.9524 53.2543 43.0206 176.1329 33 A 3.7284 7.5892 121.1348 53.5758 16.3151 176.6035 34 V 4.5963 7.7058 112.4167 59.6868 36.4123 175.7991 35 H 4.4556 8.5396 120.6631 55.1255 30.5057 174.3089 36 P 4.3452 0.0000 0.0000 66.1067 30.8219 178.9132 37 S 4.1698 8.1445 113.6384 61.5397 62.9513 176.5406 38 S 4.1922 8.1560 118.3145 61.0681 62.4354 176.9267 39 V 3.8015 7.6879 120.7523 66.3252 31.4998 177.9188 40 T 3.8494 8.2568 115.9392 66.5131 68.4038 176.4052 41 K 3.8691 8.0763 121.3468 59.7605 32.2555 178.5908 42 M 3.7952 7.5933 118.0993 58.3838 31.9181 178.2225 43 V 3.5986 8.0175 118.8598 66.2472 31.6407 178.0656 44 Q 3.9629 8.1395 117.6956 58.7959 28.4341 178.7260 45 K 3.9804 7.8715 120.4069 59.3813 32.1516 178.9977 46 L 4.2113 8.3789 119.8812 57.5861 41.5184 178.9663 47 D 4.8014 8.4272 119.8802 56.6756 41.0016 178.2090 48 K 4.0300 8.1237 119.2910 59.3083 32.2922 177.6158 49 D 4.6181 8.2171 116.3227 53.4643 41.1188 175.9110 50 E 3.8451 7.9379 117.9190 57.8327 27.5596 175.1610 51 Y 4.3826 8.8216 118.3037 59.4532 38.9018 175.2486 52 L 5.0217 7.4760 118.6415 54.9264 44.3969 173.5355 53 I 5.1818 9.1641 112.5716 59.4491 41.6987 173.4023 54 Y 4.8808 7.7791 121.8907 56.7314 41.0711 172.8118 *59 G 3.4731 9.1306 114.0220 45.1458 0.0000 173.3138 60 L 4.7401 5.6200 117.7378 54.4141 43.2885 177.7920 61 V 4.4637 8.5205 123.7689 60.8914 34.4871 174.7432 62 L 4.8391 8.7193 127.9760 54.8135 42.7677 177.0741 63 T 4.4188 8.5934 113.3921 60.3559 70.5780 175.8857 64 S 4.2021 8.5665 116.0225 61.3600 62.6807 176.3686 65 K 3.9919 8.0736 122.8126 59.4245 32.0143 178.9149 66 G 3.8972 8.2031 106.0004 47.8071 0.0000 175.8468 67 K 4.3186 8.7009 121.2714 59.1597 32.2134 179.5984 68 K 3.9604 8.3386 118.8951 59.6493 31.9506 179.5241 69 I 3.9153 7.9006 120.0907 64.2582 37.0414 178.6970 70 G 3.4723 8.4888 107.0441 47.6530 0.0000 175.5976 71 K 3.2484 7.7032 122.1349 59.0218 32.0923 179.1523 72 R 4.0371 7.8225 117.9789 59.2488 29.9603 179.0766 73 L 4.1006 8.3144 119.2404 57.6973 41.6060 179.7413 74 V 3.6057 7.8767 118.3290 65.9969 31.3966 177.4003 75 Y 4.0778 8.2153 119.3838 60.7120 38.6799 178.0376 76 R 3.7501 8.5444 119.9228 59.6325 30.2098 177.8393 77 H 3.9677 8.2996 117.8811 59.4153 29.8627 177.0169 78 E 4.0102 8.2734 120.3064 59.2651 29.1817 179.1063 79 L 3.8067 7.8425 120.5750 58.2117 42.1378 179.1259 80 L 4.1069 7.9229 118.8265 57.7665 41.3982 179.4113 81 E 3.9717 8.2577 118.7511 59.3697 29.3264 179.0965 82 Q 3.9484 8.3204 119.7734 58.9327 29.1766 178.0307 83 F 4.3240 8.5004 122.0131 61.5765 39.5534 177.2293 84 L 3.3975 7.8422 118.4491 57.2972 41.2822 179.6324 85 R 3.7905 8.1304 119.0235 59.5153 29.8638 178.6305 86 I 3.6594 7.7687 118.9221 64.0082 37.1549 177.5666 87 I 3.8979 7.0931 110.7554 60.9762 37.6641 176.5849 88 G 3.8244 7.5438 108.8569 45.3408 0.0000 174.1180 89 V 3.5974 7.2740 119.3532 62.0905 32.1821 175.6816 90 D 4.3371 8.6941 126.0295 54.8781 41.5626 176.8473 91 E 3.8941 9.1812 124.8905 59.6794 29.2338 178.7740 92 E 4.0044 8.1860 115.6671 59.2131 29.4785 178.4596 93 K 4.2672 8.2482 117.9764 57.4003 32.3509 178.9935 94 I 3.6888 7.5738 120.7118 64.4533 36.9880 177.3098 95 Y 4.0527 8.0823 119.6815 61.0638 38.3554 177.9101 96 N 4.2781 8.2763 116.6553 56.3444 38.5901 177.0792 97 D 4.3070 7.8068 120.0628 57.3087 40.9132 178.9352 98 V 3.4410 7.8060 118.8237 66.0496 31.2705 177.7953 99 E 4.2696 7.3978 118.9499 58.3914 29.2258 179.2210 100 G 3.8022 7.4489 104.7569 47.2758 0.0000 175.8117 101 I 3.9731 7.9695 116.0689 63.0261 37.6393 177.7204 102 E 3.7210 8.1427 119.2409 59.6828 29.1543 178.6333 103 H 4.4550 7.7767 113.6544 57.2546 29.0789 175.3573 104 H 4.8153 8.1399 115.7760 55.1135 29.0247 173.5641 105 L 4.6113 7.4320 119.8921 52.5845 43.6530 177.2607 106 S 4.2347 8.2231 118.1474 57.8079 65.1287 175.4015 107 W 4.2394 8.4967 122.2746 59.7830 28.7547 178.3138 108 N 4.3749 8.2630 116.8372 56.8942 38.4097 176.9843 109 S 4.1355 7.9523 116.3029 61.5682 62.8767 176.7422 110 I 3.6960 7.8633 122.6147 64.3508 36.8207 178.1958 111 D 4.4805 8.5908 120.0876 57.6418 40.6993 179.1640 112 R 3.9869 8.0876 118.4880 59.2166 29.9274 179.2188 113 I 3.7003 8.1453 120.1616 63.9150 36.9982 178.6681 114 G 3.6844 8.1843 106.9081 47.9598 0.0000 175.5678 115 D 4.4476 8.1265 121.4507 56.9173 40.6886 178.6131 116 L 3.9482 8.0507 121.0095 58.1166 42.0204 179.2191 117 V 3.8479 8.2227 118.5009 66.1495 31.5072 177.7515 118 Q 4.0085 8.3254 119.3625 59.2079 28.6361 177.4183 119 Y 4.0085 7.9868 119.9201 61.0214 38.9262 178.0961 120 F 4.3291 8.1293 118.1626 60.3199 38.9119 177.8577 121 E 4.1870 8.5882 118.0674 58.9796 29.4142 177.9134 122 E 4.0962 8.0543 115.4294 57.7390 30.2721 176.4985 123 D 4.3496 7.7133 118.6676 51.8947 42.4060 174.4009 124 D 4.3559 8.8876 126.9855 57.4138 40.9828 177.7341 125 A 4.0182 8.1817 121.0034 55.2795 18.2874 179.8332 126 R 3.9664 8.2235 116.6532 59.3405 30.0341 179.4140 127 K 4.0633 8.0723 117.9029 59.3884 32.1300 179.3912 128 K 3.9835 8.2951 118.8455 59.6322 31.7457 179.1940 129 D 4.4266 8.1402 118.2402 57.1194 41.1003 178.2893 130 L 4.1601 8.1885 121.0309 57.9964 42.1295 178.8079 131 K 3.8795 8.2582 119.7481 59.7619 31.8595 178.7841 132 S 4.1765 7.9278 114.3701 61.5668 63.0863 176.5965 133 I 3.8565 7.6073 122.2605 64.4932 36.6924 178.1246 134 Q 3.9784 8.0352 118.4088 59.2342 28.9043 177.9226 135 K 4.0298 7.8845 118.5887 59.3641 32.1440 177.5665 136 K 4.2760 7.7690 121.7249 56.7063 32.1155 176.6302 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 2 T 8.16 4.32 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 1.29 0.00 0.00 3 T 7.59 4.13 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 4 P 0.00 4.00 0.00 2.03 1.80 0.00 3.55 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 2.03 2.02 0.00 5 S 7.93 4.12 0.00 3.91 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 6 M 7.94 4.03 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 7 E 8.36 3.96 0.00 2.26 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 0.00 2.34 2.69 0.00 8 D 8.31 4.39 0.00 2.94 2.66 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 0.00 0.00 0.00 0.00 9 Y 8.24 3.89 0.00 3.20 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 10 I 8.05 3.77 1.86 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.96 0.00 0.00 11 E 8.51 3.97 0.00 2.17 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 0.00 2.34 2.34 0.00 12 Q 8.20 4.00 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 13 I 8.21 3.77 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 1.01 0.00 0.00 14 Y 8.30 4.00 0.00 3.24 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 15 M 8.30 4.15 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.73 0.00 16 L 8.12 3.92 0.00 1.84 1.68 0.95 0.70 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 17 I 7.70 3.61 1.83 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 1.52 0.84 0.80 0.00 0.00 18 E 7.68 3.80 0.00 1.99 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 0.00 1.95 2.13 0.00 19 E 8.01 3.99 0.00 1.93 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 0.00 2.22 2.28 0.00 20 K 8.41 4.08 0.00 1.30 0.90 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.25 7.81 21 G 9.39 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 22 Y 6.25 4.88 0.00 2.90 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 23 A 8.59 4.77 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 24 R 8.69 4.57 0.00 1.86 1.90 0.00 3.14 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 25 V 8.70 3.70 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 1.14 0.00 0.00 1.02 0.00 0.00 26 S 8.08 4.19 0.00 4.11 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 27 D 8.03 4.45 0.00 2.96 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 28 I 7.81 3.75 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 0.92 0.00 0.00 29 A 8.10 4.01 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 E 8.16 3.86 0.00 2.09 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 2.30 2.32 0.00 31 A 7.95 3.99 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 32 L 7.84 4.27 0.00 1.45 1.54 0.03 0.52 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 33 A 7.59 3.73 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 34 V 7.71 4.60 2.17 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 0.76 0.00 0.00 0.99 0.00 0.00 35 H 8.54 4.46 0.00 3.24 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.35 0.00 2.27 2.28 0.00 3.26 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 37 S 8.14 4.17 0.00 4.11 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 0.00 38 S 8.16 4.19 0.00 4.19 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 39 V 7.69 3.80 2.36 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 1.30 0.00 0.00 1.17 0.00 0.00 40 T 8.26 3.85 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 1.17 0.00 0.00 41 K 8.08 3.87 0.00 1.80 1.91 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 42 M 7.59 3.80 0.00 1.16 1.19 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.01 0.00 43 V 8.02 3.60 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 1.11 0.00 0.00 1.04 0.00 0.00 44 Q 8.14 3.96 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.69 0.00 45 K 7.87 3.98 0.00 1.82 1.91 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 46 L 8.38 4.21 0.00 1.90 1.82 0.92 0.66 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 47 D 8.43 4.80 0.00 2.87 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 48 K 8.12 4.03 0.00 1.92 1.99 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 49 D 8.22 4.62 0.00 3.09 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 50 E 7.94 3.85 0.00 2.00 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 2.22 2.23 0.00 51 Y 8.82 4.38 0.00 3.21 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 52 L 7.48 5.02 0.00 1.99 1.87 1.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 I 9.16 5.18 1.93 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 0.75 0.95 0.00 0.00 54 Y 7.78 4.88 0.00 3.00 2.82 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 0.00 0.00 0.00 0.00 *59 G 9.13 3.47 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 0.00 0.00 0.00 60 L 5.62 4.74 0.00 1.93 1.72 1.17 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.52 4.46 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 0.96 0.00 0.00 62 L 8.72 4.84 0.00 1.66 1.71 1.14 1.07 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 63 T 8.59 4.42 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 1.24 0.00 0.00 64 S 8.57 4.20 0.00 4.08 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 0.00 65 K 8.07 3.99 0.00 1.78 1.90 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.40 7.81 66 G 8.20 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 67 K 8.70 4.32 0.00 2.02 2.05 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.60 1.83 7.81 68 K 8.34 3.96 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.75 7.81 69 I 7.90 3.92 2.04 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 1.85 1.32 1.03 0.00 0.00 70 G 8.49 3.47 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 0.00 0.00 0.00 71 K 7.70 3.25 0.00 1.80 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.50 7.81 72 R 7.82 4.04 0.00 2.18 2.23 0.00 3.01 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 73 L 8.31 4.10 0.00 1.81 1.74 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.88 3.61 2.14 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 1.09 0.00 0.00 1.03 0.00 0.00 75 Y 8.22 4.08 0.00 3.16 3.26 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 76 R 8.54 3.75 0.00 2.21 2.11 0.00 2.77 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 77 H 8.30 3.97 0.00 3.59 3.42 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 78 E 8.27 4.01 0.00 2.18 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 2.51 2.51 0.00 79 L 7.84 3.81 0.00 1.11 1.51 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.92 4.11 0.00 1.79 1.70 0.83 0.71 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 81 E 8.26 3.97 0.00 2.21 2.02 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 2.32 2.49 0.00 82 Q 8.32 3.95 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 83 F 8.50 4.32 0.00 3.08 3.29 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 84 L 7.84 3.40 0.00 1.61 1.50 0.85 0.16 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 85 R 8.13 3.79 0.00 1.94 2.04 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 86 I 7.77 3.66 2.02 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 1.58 0.76 0.63 0.00 0.00 87 I 7.09 3.90 1.68 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.28 0.79 0.00 0.00 88 G 7.54 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.27 3.60 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 0.72 0.00 0.00 0.79 0.00 0.00 90 D 8.69 4.34 0.00 2.72 2.59 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 91 E 9.18 3.89 0.00 2.05 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 2.38 2.46 0.00 92 E 8.19 4.00 0.00 2.16 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 0.00 2.27 2.41 0.00 93 K 8.25 4.27 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.46 7.81 94 I 7.57 3.69 2.01 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 0.74 0.91 0.00 0.00 95 Y 8.08 4.05 0.00 3.08 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 96 N 8.28 4.28 0.00 2.83 2.86 0.00 0.00 7.06 8.08 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 97 D 7.81 4.31 0.00 2.80 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 98 V 7.81 3.44 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 0.63 0.00 0.00 0.92 0.00 0.00 99 E 7.40 4.27 0.00 1.89 1.86 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 1.47 1.87 0.00 100 G 7.45 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 0.00 0.00 0.00 101 I 7.97 3.97 1.85 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 1.76 0.83 0.96 0.00 0.00 102 E 8.14 3.72 0.00 1.95 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 2.15 1.68 0.00 103 H 7.78 4.46 0.00 2.93 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.14 4.82 0.00 3.07 3.23 0.00 5.62 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.43 4.61 0.00 1.42 1.42 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.22 4.23 0.00 4.05 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 0.00 107 W 8.50 4.24 0.00 3.46 3.27 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 0.00 108 N 8.26 4.37 0.00 2.89 2.84 0.00 0.00 7.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.95 4.14 0.00 4.02 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 0.00 110 I 7.86 3.70 2.27 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 1.22 0.00 0.00 111 D 8.59 4.48 0.00 2.92 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 0.00 112 R 8.09 3.99 0.00 1.92 1.93 0.00 3.28 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 113 I 8.15 3.70 1.84 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.55 0.54 0.00 0.00 114 G 8.18 3.68 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 0.00 0.00 0.00 115 D 8.13 4.45 0.00 2.89 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 0.00 116 L 8.05 3.95 0.00 1.75 1.86 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.22 3.85 2.33 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 1.14 0.00 0.00 1.15 0.00 0.00 118 Q 8.33 4.01 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 119 Y 7.99 4.01 0.00 2.91 2.97 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 0.00 120 F 8.13 4.33 0.00 3.29 3.07 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 0.00 121 E 8.59 4.19 0.00 2.05 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 2.66 2.47 0.00 122 E 8.05 4.10 0.00 2.07 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 2.60 2.12 0.00 123 D 7.71 4.35 0.00 2.67 2.36 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 0.00 124 D 8.89 4.36 0.00 2.75 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 0.00 125 A 8.18 4.02 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 0.00 126 R 8.22 3.97 0.00 1.93 1.91 0.00 2.61 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 127 K 8.07 4.06 0.00 2.00 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.58 1.79 7.81 128 K 8.30 3.98 0.00 1.98 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.64 7.81 129 D 8.14 4.43 0.00 2.91 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 0.00 130 L 8.19 4.16 0.00 1.91 1.80 0.97 -0.38 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 0.00 131 K 8.26 3.88 0.00 2.00 1.96 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.52 7.81 132 S 7.93 4.18 0.00 4.11 3.94 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 0.00 0.00 0.00 133 I 7.61 3.86 2.08 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 1.63 1.31 0.93 0.00 0.00 134 Q 8.04 3.98 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 135 K 7.88 4.03 0.00 1.98 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.71 7.81 136 K 7.77 4.28 0.00 1.93 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.62 7.81 * Residues marked with a * may have inaccurate shift predictions.