NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 R 4.2142 8.2501 117.2799 55.9412 30.8363 173.8876 43 A 4.1967 8.2678 120.9578 50.6485 19.5917 175.8059 44 Q 4.3763 9.0144 123.2587 54.1292 30.4336 173.6016 45 H 4.5160 8.0900 119.4096 55.2906 29.7147 176.2392 46 I 4.3502 7.9868 122.5867 60.4388 36.9211 174.8803 47 V 3.9928 8.5176 128.1464 61.2279 32.4010 173.4531 48 P 4.9040 0.0000 0.0000 62.9974 31.8020 175.3369 49 C 5.2193 9.1579 118.9246 58.3449 32.8505 173.5867 50 T 4.6854 8.4478 110.3286 60.2643 70.6339 175.9536 51 I 3.7450 9.0135 124.3989 64.4865 36.8989 179.0057 52 S 4.1109 8.6749 115.5265 61.4451 62.1391 176.7099 53 Q 4.0800 8.0033 121.9010 58.5523 28.2097 178.4772 54 L 3.9183 7.6091 118.7039 57.8820 41.9643 178.7154 55 L 4.0975 8.0301 117.1322 57.0429 41.7243 178.3328 56 S 4.4405 7.3343 111.9098 59.4012 63.6609 174.6649 57 A 4.3951 7.6624 122.0315 52.8877 18.6714 177.1685 58 T 4.8825 8.7355 117.2930 61.3433 73.0890 172.9515 59 L 4.2513 8.3914 125.6802 54.6233 43.1909 176.4435 60 V 4.0363 8.8037 125.9853 61.7465 33.8546 174.4472 61 D 4.3105 9.5823 129.2635 55.5537 39.0442 173.3806 62 E 3.8396 8.5779 113.2825 56.6062 27.6211 174.9899 63 V 4.5270 7.0221 116.7772 60.1253 35.2825 174.1355 64 F 4.9065 8.7495 120.9134 57.4722 40.7741 174.6391 65 R 5.0996 9.0596 122.3015 54.9569 33.7846 173.2893 66 I 4.6482 8.5072 126.2888 59.1659 40.6691 174.8563 67 G 3.6922 9.0723 117.5456 47.2609 0.0000 175.2643 68 N 5.0016 8.7198 114.5010 51.9526 37.3098 175.4067 69 V 4.2982 7.9540 118.2614 61.4076 33.6907 174.3173 70 E 4.6209 8.8132 127.8357 56.4057 29.9862 176.2931 71 I 4.6065 8.5591 116.5471 59.9654 40.7811 173.7165 72 S 4.8707 8.6822 116.4449 59.3615 69.3124 172.9643 73 Q 4.9495 8.0204 118.0395 55.2654 30.5903 174.7119 74 V 5.4354 9.0166 115.3985 59.9949 36.5341 173.5963 75 T 5.8087 8.8313 113.1503 59.3705 71.5986 173.0242 76 I 4.6315 8.1578 116.4559 59.1175 41.9297 174.1505 77 V 5.0577 7.5875 121.2513 60.5794 33.9137 174.1474 78 G 3.9638 8.2758 116.3265 45.3712 0.0000 169.7695 79 I 4.5003 7.9364 120.5499 58.6983 41.2816 176.0934 80 I 3.9885 8.4738 130.9966 61.9739 37.1435 176.8003 81 R 3.8802 8.8056 127.0889 57.7395 31.5056 176.7453 82 H 4.6937 7.9074 116.4575 55.2221 33.1342 173.0301 83 A 4.7202 8.5156 127.5391 51.3034 21.0464 176.6319 84 E 4.1867 7.8412 119.5829 55.2438 32.1532 174.0226 85 K 4.5982 8.4532 128.5954 55.8502 33.3767 175.5086 86 A 4.5828 7.7638 126.1753 50.6468 22.4614 174.9641 87 P 4.3937 0.0000 0.0000 66.0148 31.6286 178.4678 88 T 4.3213 7.8148 115.0649 65.5732 68.9710 173.9857 89 N 5.2298 7.9011 117.8461 50.8089 41.1379 172.1212 90 I 4.2098 8.6429 120.8618 59.1461 40.9979 174.1004 91 V 4.4810 8.0978 129.5940 61.5208 33.2053 174.0841 92 Y 5.1301 9.1013 125.8840 56.4136 41.0688 175.0953 93 K 4.9950 9.0313 121.9327 55.1617 34.2829 175.2150 94 I 4.7568 8.8072 127.1576 59.3282 40.0183 174.4370 95 D 5.0749 8.4655 126.3576 52.6493 43.4216 174.0309 96 D 5.1418 8.4976 130.3378 53.1156 40.8087 176.1824 97 M 4.3035 8.6950 114.3043 57.1744 31.9452 177.0141 98 T 4.1794 8.5194 108.9474 62.3104 69.8317 174.1812 99 A 4.2404 7.0235 121.6640 52.2703 22.6224 175.2603 100 A 4.2084 8.5901 118.4445 51.3517 19.1526 176.0239 101 P 4.4868 0.0000 0.0000 63.6626 32.1567 175.4037 102 M 4.6862 8.9272 122.3675 53.7404 35.5590 174.6194 103 D 5.0410 8.4765 122.6879 54.2808 42.7841 175.6287 104 V 4.6909 8.9973 122.5173 61.2804 34.8399 173.8909 105 R 4.6830 8.8449 129.2300 54.9876 31.9561 174.5939 106 Q 4.8784 9.0401 127.5473 53.9912 31.8538 174.1218 107 W 4.6263 8.9323 127.2263 56.2153 29.8279 176.8483 108 V 3.9731 8.9990 126.6880 63.3700 32.0621 173.3119 109 D 4.4492 8.4936 123.5517 54.9884 45.7848 176.2065 *117 N 4.7658 7.9372 115.7698 52.6341 39.0232 174.5813 118 T 4.0394 8.4756 116.9914 62.1622 69.3244 174.4204 119 V 3.7384 8.1298 122.2778 61.4525 31.6005 176.1897 120 V 3.6814 8.4878 126.1158 61.7280 32.0487 173.9063 121 P 4.3310 0.0000 0.0000 61.9516 31.6836 173.7739 122 P 4.3624 0.0000 0.0000 64.2386 31.6952 175.2894 123 E 4.3458 9.4306 122.5342 56.4062 28.6536 176.1189 124 T 4.3458 7.6231 108.2682 61.3853 70.7581 173.7719 125 Y 4.6329 8.4471 120.1875 57.6875 40.0623 174.9625 126 V 4.8631 8.6017 115.0704 59.7967 36.7278 174.0291 127 K 4.7432 8.5484 125.2163 55.5753 34.1048 175.5298 128 V 4.7821 8.9531 125.6224 61.0761 35.1197 173.6642 129 A 4.8258 8.3782 129.8702 50.3473 21.7719 175.8980 130 G 4.2481 7.9534 107.1319 46.4494 0.0000 171.1818 131 H 5.6273 8.7208 116.6957 53.8037 31.6869 173.6239 132 L 4.5220 8.3687 125.3779 54.6877 42.5515 176.1339 133 R 4.8070 8.8146 124.2596 54.4108 34.8710 173.9540 134 S 4.7179 8.4043 115.4277 58.1123 64.9139 170.9474 135 F 4.4997 9.0396 124.4327 58.2250 38.9003 178.2152 136 Q 4.3203 9.4288 125.7608 56.3484 27.8901 175.1366 137 N 4.2364 8.1045 108.8267 54.2474 38.1812 173.0202 138 K 4.5338 7.7891 116.3752 53.7264 34.6978 174.8882 139 K 4.7952 8.6658 126.4428 56.3553 33.0118 176.3243 140 S 4.8112 9.1697 118.4876 56.6888 67.5916 172.0188 141 L 5.1202 8.4642 121.0571 53.2954 44.7040 175.2956 142 V 4.6694 8.9472 126.6133 61.4378 32.5982 174.1131 143 A 4.6890 8.6574 131.3057 51.3635 18.6756 176.9617 144 F 4.6282 8.6001 118.6026 58.6520 39.4753 176.1497 145 K 4.6220 7.3743 120.7604 54.1332 34.9699 175.0544 146 I 4.8716 8.4387 127.1079 59.7708 40.3565 174.5791 147 M 4.6206 8.8171 127.6284 52.7511 34.8858 172.7876 148 P 4.5490 0.0000 0.0000 63.1413 32.1350 175.9626 149 L 4.0716 8.7866 127.2860 55.5073 42.1018 176.5600 150 E 4.0744 9.1512 126.2550 58.4206 30.1732 176.2367 151 D 4.7216 8.0877 121.2913 52.3175 41.9462 176.0253 152 M 4.0505 8.6504 127.1291 57.4391 32.5255 178.5901 153 N 4.4740 8.2155 117.0804 56.1315 38.6861 176.7232 154 E 3.9943 8.6194 120.5704 59.5697 29.6163 179.4646 155 F 4.2180 7.8667 119.3910 61.5252 39.5505 177.0128 156 T 3.2407 7.6936 112.1154 65.3579 67.1741 175.5163 157 T 3.8264 8.1117 118.0384 67.1111 68.5104 175.6869 158 H 4.0008 8.1547 119.5414 59.4428 29.8320 177.0397 159 I 3.6201 7.3597 121.1604 64.7110 36.8028 178.4154 160 L 3.9678 7.8089 119.4215 57.7385 41.4269 179.4303 161 E 3.9502 8.5654 119.0706 59.3756 29.3067 179.0349 162 V 3.5283 8.2436 118.7196 66.0701 31.4513 177.8428 163 I 3.6297 7.6681 119.5537 64.4680 37.0321 178.0312 164 N 4.2973 7.8299 117.4895 56.4102 38.8906 176.9603 165 A 3.9560 8.3343 122.5368 55.6080 18.3768 179.3462 166 H 4.0429 8.4234 114.8744 59.1565 28.3186 177.7930 167 M 4.0633 7.8153 120.2965 58.3169 31.9631 178.5877 168 V 3.6093 7.7971 118.4221 66.0492 31.8638 178.0661 169 L 4.0003 8.2015 119.3812 57.8307 41.2258 179.7655 170 S 4.2028 7.7272 113.1515 61.1198 63.2763 176.6120 171 K 4.0850 7.7887 120.7426 59.4091 31.6863 179.0994 172 A 4.1104 8.0979 119.8421 54.9218 18.2301 177.9118 173 N 4.7751 7.8824 113.9364 52.2664 39.9832 175.0710 174 S 4.4485 7.1085 112.6993 56.9066 66.0571 174.0424 175 Q 4.3578 9.0032 127.3839 55.7339 29.3475 172.5695 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 42 R 8.25 4.21 0.00 1.93 2.04 0.00 2.99 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 43 A 8.27 4.20 1.23 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 0.00 0.00 44 Q 9.01 4.38 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 45 H 8.09 4.52 0.00 3.16 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.99 4.35 1.94 0.00 0.00 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 1.32 0.56 0.99 0.00 0.00 47 V 8.52 3.99 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 0.83 0.00 0.00 0.94 0.00 0.00 48 P 0.00 4.90 0.00 1.97 2.00 0.00 3.38 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.80 0.00 49 C 9.16 5.22 0.00 2.86 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 50 T 8.45 4.69 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 1.22 0.00 0.00 51 I 9.01 3.75 1.99 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 1.56 0.77 0.90 0.00 0.00 52 S 8.67 4.11 0.00 3.98 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 53 Q 8.00 4.08 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 54 L 7.61 3.92 0.00 1.69 1.63 0.88 0.91 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 55 L 8.03 4.10 0.00 1.60 1.72 0.91 1.01 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 56 S 7.33 4.44 0.00 3.95 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 57 A 7.66 4.40 1.34 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 0.00 0.00 0.00 58 T 8.74 4.88 4.29 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 1.24 0.00 0.00 59 L 8.39 4.25 0.00 1.36 1.38 0.46 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.80 4.04 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 0.90 0.00 0.00 0.98 0.00 0.00 61 D 9.58 4.31 0.00 2.77 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 62 E 8.58 3.84 0.00 2.12 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 2.16 2.29 0.00 63 V 7.02 4.53 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 0.88 0.00 0.00 0.96 0.00 0.00 64 F 8.75 4.91 0.00 3.32 2.96 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 65 R 9.06 5.10 0.00 1.90 1.76 0.00 3.05 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 66 I 8.51 4.65 1.90 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 1.15 1.22 0.99 0.00 0.00 67 G 9.07 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 0.00 0.00 0.00 68 N 8.72 5.00 0.00 2.81 2.84 0.00 0.00 5.58 7.68 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 69 V 7.95 4.30 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 0.95 0.00 0.00 1.01 0.00 0.00 70 E 8.81 4.62 0.00 2.03 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 2.34 2.32 0.00 71 I 8.56 4.61 1.91 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 0.73 0.95 0.00 0.00 72 S 8.68 4.87 0.00 3.97 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 73 Q 8.02 4.95 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 74 V 9.02 5.44 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 1.03 0.00 0.00 0.99 0.00 0.00 75 T 8.83 5.81 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 1.22 0.00 0.00 76 I 8.16 4.63 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.07 0.98 0.00 0.00 77 V 7.59 5.06 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 1.38 0.00 0.00 0.81 0.00 0.00 78 G 8.28 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 I 7.94 4.50 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.33 0.64 0.00 0.00 80 I 8.47 3.99 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.47 0.96 0.00 0.00 81 R 8.81 3.88 0.00 1.66 1.96 0.00 3.47 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 82 H 7.91 4.69 0.00 3.16 3.10 0.00 5.67 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 83 A 8.52 4.72 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 84 E 7.84 4.19 0.00 2.03 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 0.00 2.11 2.17 0.00 85 K 8.45 4.60 0.00 1.71 1.60 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.36 7.81 86 A 7.76 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 87 P 0.00 4.39 0.00 2.07 2.12 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 88 T 7.81 4.32 4.70 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 1.26 0.00 0.00 89 N 7.90 5.23 0.00 1.56 1.42 0.00 0.00 5.47 7.68 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 90 I 8.64 4.21 1.65 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.45 0.86 0.00 0.00 91 V 8.10 4.48 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 0.83 0.00 0.00 0.71 0.00 0.00 92 Y 9.10 5.13 0.00 2.90 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 93 K 9.03 4.99 0.00 1.71 1.74 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 94 I 8.81 4.76 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.74 0.81 0.00 0.00 95 D 8.47 5.07 0.00 2.65 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 5.14 0.00 2.89 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 97 M 8.69 4.30 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 98 T 8.52 4.18 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 99 A 7.02 4.24 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 0.00 100 A 8.59 4.21 1.24 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 0.00 101 P 0.00 4.49 0.00 1.93 2.01 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 2.09 0.00 102 M 8.93 4.69 0.00 2.03 1.87 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 2.48 2.48 0.00 103 D 8.48 5.04 0.00 2.67 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 0.00 104 V 9.00 4.69 2.18 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 0.79 0.00 0.00 0.93 0.00 0.00 105 R 8.84 4.68 0.00 1.82 1.74 0.00 2.95 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.89 0.00 106 Q 9.04 4.88 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 107 W 8.93 4.63 0.00 3.28 3.21 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 0.00 108 V 9.00 3.97 2.44 0.00 0.00 0.00 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 0.93 0.00 0.00 109 D 8.49 4.45 0.00 2.66 2.64 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 0.00 0.00 0.00 0.00 *117 N 7.94 4.77 0.00 2.80 2.63 0.00 0.00 6.91 7.54 0.00 0.00 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 T 8.48 4.04 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 1.22 0.00 0.00 119 V 8.13 3.74 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 0.70 0.00 0.00 0.96 0.00 0.00 120 V 8.49 3.68 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 0.69 0.00 0.00 0.91 0.00 0.00 121 P 0.00 4.33 0.00 2.21 1.97 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 122 P 0.00 4.36 0.00 2.04 2.04 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 123 E 9.43 4.35 0.00 1.95 2.41 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 2.16 2.27 0.00 124 T 7.62 4.35 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 1.26 0.00 0.00 125 Y 8.45 4.63 0.00 2.88 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 0.00 126 V 8.60 4.86 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 0.70 0.00 0.00 0.74 0.00 0.00 127 K 8.55 4.74 0.00 1.84 1.64 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.33 7.81 128 V 8.95 4.78 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 0.87 0.00 0.00 0.81 0.00 0.00 129 A 8.38 4.83 0.63 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 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.95 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 0.00 0.00 0.00 0.00 131 H 8.72 5.63 0.00 3.21 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.78 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 4.52 0.00 1.55 1.44 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.81 4.81 0.00 1.59 1.32 0.00 3.37 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 134 S 8.40 4.72 0.00 3.88 3.85 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 0.00 135 F 9.04 4.50 0.00 3.20 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 0.00 136 Q 9.43 4.32 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 137 N 8.10 4.24 0.00 2.86 2.91 0.00 0.00 6.98 6.68 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 0.00 138 K 7.79 4.53 0.00 1.81 1.67 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 139 K 8.67 4.80 0.00 1.62 1.59 0.00 1.41 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.31 7.81 140 S 9.17 4.81 0.00 3.88 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 0.00 141 L 8.46 5.12 0.00 1.79 1.53 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.95 4.67 2.31 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 1.25 0.00 0.00 1.19 0.00 0.00 143 A 8.66 4.69 1.23 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 0.00 0.00 144 F 8.60 4.63 0.00 3.12 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 0.00 145 K 7.37 4.62 0.00 1.95 1.45 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.42 7.81 146 I 8.44 4.87 1.85 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.67 0.00 0.00 147 M 8.82 4.62 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 148 P 0.00 4.55 0.00 1.96 1.99 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 149 L 8.79 4.07 0.00 1.69 1.59 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 150 E 9.15 4.07 0.00 2.13 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 2.29 2.23 0.00 151 D 8.09 4.72 0.00 2.74 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 0.00 152 M 8.65 4.05 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 153 N 8.22 4.47 0.00 3.16 2.86 0.00 0.00 6.88 7.33 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 0.00 154 E 8.62 3.99 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 2.36 2.47 0.00 155 F 7.87 4.22 0.00 3.04 3.17 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 0.00 0.00 0.00 0.00 156 T 7.69 3.24 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 1.11 0.00 0.00 157 T 8.11 3.83 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 158 H 8.15 4.00 0.00 3.39 3.45 0.00 5.80 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 0.00 159 I 7.36 3.62 1.78 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 1.41 0.31 0.81 0.00 0.00 160 L 7.81 3.97 0.00 1.83 1.66 0.87 0.66 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 0.00 161 E 8.57 3.95 0.00 2.07 1.93 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 2.30 2.34 0.00 162 V 8.24 3.53 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 0.73 0.00 0.00 163 I 7.67 3.63 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.89 0.00 0.00 164 N 7.83 4.30 0.00 2.91 2.86 0.00 0.00 7.00 7.70 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 0.00 165 A 8.33 3.96 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 0.00 166 H 8.42 4.04 0.00 3.31 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 M 7.82 4.06 0.00 2.12 2.25 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 2.59 2.54 0.00 168 V 7.80 3.61 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 1.03 0.00 0.00 0.93 0.00 0.00 169 L 8.20 4.00 0.00 1.68 1.70 0.90 0.67 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 0.00 170 S 7.73 4.20 0.00 4.10 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 0.00 171 K 7.79 4.09 0.00 2.08 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.58 7.81 172 A 8.10 4.11 1.34 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 0.00 0.00 0.00 173 N 7.88 4.78 0.00 2.74 2.85 0.00 0.00 6.74 7.60 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 0.00 174 S 7.11 4.45 0.00 3.82 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 0.00 175 Q 9.00 4.36 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.