NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3462 8.1844 120.7687 54.2309 42.8891 175.4092 4 K 3.9831 8.6553 114.9180 61.0246 32.2744 178.0812 5 D 5.1278 8.1630 117.2873 55.2803 41.9259 178.5011 6 K 4.3422 8.1783 129.0672 59.5246 31.8775 181.9747 7 I 4.0088 7.5846 119.3014 65.6446 35.5712 182.3592 8 L 4.2801 8.2107 120.9050 57.7004 41.4230 179.9552 9 G 3.6216 8.0301 105.1183 47.6920 0.0000 175.9009 10 V 3.6198 7.6236 120.0737 65.3659 31.5475 177.8197 11 A 3.7447 8.6147 121.0359 55.0640 18.2293 179.1183 12 K 3.8963 8.0675 117.9628 60.1428 32.1275 178.4688 13 E 4.0065 8.0578 118.6631 59.0006 29.4966 178.8529 14 L 3.8777 8.1640 119.5270 57.8929 41.5326 179.3642 15 F 4.5924 8.1095 116.5559 60.4884 38.8122 177.7244 16 I 4.0530 7.8130 121.2655 64.7346 37.2162 178.5612 17 K 4.1007 8.0459 123.2515 60.1602 31.9207 177.8916 18 N 5.2880 8.4602 115.9614 50.9381 41.7361 174.3780 19 G 4.1209 8.1263 106.5010 43.9244 0.0000 173.3792 20 Y 4.2933 8.6416 119.8387 61.0296 38.9536 177.5959 21 N 4.5492 8.0226 114.3904 56.3346 38.7565 177.1073 22 A 4.1272 8.1012 120.8998 53.3319 18.7834 177.3944 23 T 4.5009 6.7979 105.9494 59.5831 70.6217 174.3600 24 T 4.5365 7.7998 118.3367 59.5652 71.8773 174.4462 25 T 4.0357 8.2807 112.6266 64.1323 68.6496 176.8636 26 G 3.5421 7.9249 108.8172 47.7294 0.0000 175.4155 27 E 3.9887 8.1470 123.3700 59.7296 29.3354 180.1079 28 I 3.6770 7.2216 118.1847 65.0513 35.8786 179.8466 29 V 4.0020 7.5942 122.9365 66.4131 31.1518 178.9454 30 K 4.1386 8.1193 124.7465 60.0069 31.5709 180.5456 31 L 4.7309 7.5647 119.9406 56.7057 40.9071 179.9228 32 S 4.8321 7.3350 112.0677 58.3588 64.5545 173.6836 33 E 3.8383 8.3572 117.6253 57.8788 26.9020 173.8309 34 S 4.9144 8.0441 117.1817 57.3997 66.5022 174.3149 35 S 4.8860 8.2866 120.9311 58.7574 67.6259 171.1253 36 K 4.3325 8.7221 124.4235 60.7838 31.0035 179.2677 37 G 3.9249 8.0879 104.0748 48.3396 0.0000 175.1184 38 N 4.5613 8.1392 119.8003 56.6822 38.8492 177.5168 39 L 4.4922 8.0756 123.0037 58.3642 41.4450 178.5594 40 Y 5.0335 7.7751 118.4905 55.2927 37.8732 174.3678 *43 F 4.4096 8.0613 127.3557 57.3220 40.0900 175.4747 44 K 3.7420 8.0104 123.9426 55.3485 31.7513 175.6890 45 T 4.8695 7.5689 111.3003 59.3772 71.7471 174.4659 46 K 3.9003 8.8159 121.7932 59.8650 31.9657 178.2401 47 E 4.1202 8.3756 118.1632 59.5633 29.3603 179.1500 48 N 4.2969 8.1207 115.8561 56.1879 38.9503 176.6563 49 L 3.2586 7.7128 121.7571 58.1701 41.9351 178.6642 50 F 3.6821 8.2216 120.1328 61.3393 39.4286 176.9131 51 L 3.6768 7.8230 119.5920 57.8468 41.7438 178.5835 52 E 3.9561 8.5171 120.0298 59.0097 29.5277 178.7606 53 I 3.6057 7.3467 119.7235 64.2897 37.1381 178.1242 54 L 3.7805 7.4779 119.8630 57.8038 41.4451 179.2636 55 N 4.2156 7.8042 116.1852 56.7377 38.9806 176.6512 56 I 3.6207 7.7388 121.1502 64.7339 37.1804 178.2244 57 E 3.9080 8.2888 118.9771 59.4967 29.0079 179.1548 58 E 3.8016 8.2654 119.2962 59.1228 29.4908 179.1777 59 S 4.1257 8.0488 115.1350 61.4708 62.9823 176.3129 60 K 3.6680 8.2538 121.5803 59.4006 31.6380 178.9562 61 W 4.6806 8.5249 128.3565 60.9875 30.8107 178.1664 62 Q 3.7042 7.9413 117.3481 58.4941 28.0139 178.6523 63 E 3.8335 8.4908 121.0052 59.3176 29.5703 178.2935 64 Q 4.0392 8.1538 118.4947 59.1522 29.2888 178.1378 65 W 4.3384 8.1989 129.5588 60.4068 30.4775 178.2491 66 K 3.6228 7.5802 117.6006 58.8412 31.4944 178.5380 67 S 4.4786 7.7509 111.8366 58.6173 63.6238 174.2971 68 E 4.5593 7.8306 120.7034 55.9825 31.6015 176.8823 69 Q 3.6671 7.1937 115.9565 56.4352 29.1411 177.7386 70 I 3.6972 7.2799 119.4063 64.1054 37.3030 177.3029 71 K 3.9602 7.5551 120.3470 58.7455 31.9559 177.1170 72 C 4.5550 7.6134 118.9279 56.5341 28.2641 180.0225 73 K 4.1570 8.7951 128.2998 56.6881 31.9542 175.1468 74 T 4.3705 7.7074 110.0664 60.8090 71.3084 175.2847 75 N 4.4630 8.7964 119.7647 56.3483 38.2460 177.5667 76 R 4.4146 8.4894 120.3863 59.9927 29.9924 178.4224 77 E 4.2456 8.2048 118.0221 59.3904 29.4589 179.1483 78 K 4.2879 8.1199 118.1476 59.6517 32.1318 179.0432 79 F 4.1663 8.8113 120.8148 61.5678 39.3366 176.4534 80 Y 3.9748 8.0850 114.9781 61.3222 37.8057 178.8021 81 L 4.1202 8.6555 121.2833 58.2449 42.2371 178.3420 82 Y 3.1523 8.2187 119.6098 60.6183 38.4165 177.8326 83 N 4.2242 7.7031 115.8584 56.0653 38.6997 176.8648 84 E 4.0157 8.3640 120.9016 59.3871 29.7803 178.9294 85 L 4.1077 8.3022 120.6602 57.3011 41.4125 179.5403 86 S 3.0393 7.4270 114.4308 61.1772 62.5658 176.5072 87 L 3.8684 7.1411 121.3018 57.5669 41.1411 178.9306 88 T 4.1354 7.4395 108.7686 62.9596 69.3149 175.0009 89 T 3.8122 7.2436 115.6786 62.3700 67.7266 173.2692 90 Q 4.3739 8.0839 120.9136 55.9173 29.4475 174.8626 91 Y 5.1464 7.2345 116.9094 57.8059 40.6031 173.9861 92 Y 3.9199 8.6092 129.3779 58.7557 39.0206 171.3336 93 Y 3.8142 7.5516 116.1324 60.2607 38.1385 176.3986 94 P 4.3066 0.0000 0.0000 64.1227 31.7852 176.6279 95 L 4.5173 7.5798 118.1133 54.6767 42.0954 178.3886 96 Q 3.7976 7.5980 120.6857 58.9880 28.3930 178.3516 97 N 4.3328 8.0401 116.9259 56.0770 38.6502 177.2076 98 A 4.0643 7.9765 121.9037 55.1601 18.5592 179.5750 99 I 3.8339 7.8973 118.4592 64.3914 36.6185 178.7251 100 I 3.7709 7.8704 120.7668 64.4890 36.5131 178.0131 101 E 3.9349 8.3831 120.2665 59.2630 29.3587 178.6098 102 F 3.4919 8.4308 121.0119 61.2432 39.0924 176.6295 103 Y 3.9871 7.4728 115.4824 61.2067 37.7015 178.4860 104 T 4.0454 7.4967 111.5168 64.4628 68.9897 176.6069 105 E 3.9747 8.0023 122.2957 59.1956 29.4091 180.2261 *106 Y 3.9463 5.3700 115.7670 57.4657 37.7193 179.1188 *108 K 4.3186 7.8276 126.5953 53.8493 34.8403 172.8162 109 T 4.0671 7.5786 111.2495 61.9450 67.7803 175.6516 110 N 4.5558 8.8578 128.7713 55.7963 39.2263 177.3683 111 S 4.3301 7.6558 114.7109 61.0517 62.6949 181.7471 112 I 4.2290 7.6991 121.5952 63.2639 37.0290 177.2697 113 N 4.6927 7.8767 117.0626 55.0873 38.1292 177.4642 114 E 4.2489 8.2394 123.7605 61.6150 29.4544 184.8312 115 K 4.3502 8.5608 124.6329 59.7936 31.8176 181.5057 116 M 4.4785 7.6289 117.9481 57.9351 31.3609 178.2525 117 N 4.4413 8.0845 120.2837 57.0431 39.1671 177.5150 118 K 3.9164 7.9695 124.4575 59.1447 31.7455 180.5657 119 L 4.3881 7.8936 122.0873 58.4621 41.7946 179.3168 120 E 4.2628 8.1532 117.4141 60.4171 29.5549 182.1566 121 N 4.9246 7.6948 114.1435 55.2884 38.9224 177.7381 122 K 3.8945 8.1257 120.4964 59.7108 31.9710 178.2709 123 Y 4.3761 7.8986 118.5990 59.4277 38.9535 177.8093 124 I 4.3170 7.4753 111.1286 61.5431 39.1143 177.2027 125 D 4.3911 8.0907 120.7676 57.2425 40.8655 177.4757 126 A 3.9378 8.1497 120.9009 55.8236 18.1633 179.1536 127 Y 3.7978 7.8808 114.2893 61.0072 38.0274 177.5923 128 H 4.4091 8.4456 120.6648 58.7807 29.9470 177.2324 129 V 3.6214 8.4096 120.2540 66.2182 31.3249 177.9465 130 I 3.7487 7.5164 118.8705 64.6815 37.0432 178.5823 131 F 4.8468 8.8567 121.3230 60.9741 38.6172 178.7051 132 K 4.1482 8.8622 126.4266 60.6521 31.5833 182.3471 133 E 4.2953 8.7203 120.1941 60.8305 29.5178 181.6327 134 G 3.4918 8.3655 104.9759 47.9898 0.0000 175.7000 135 N 4.5560 8.5269 121.1527 56.3417 38.3547 178.2136 136 L 4.0883 7.9588 123.4412 59.5982 41.1969 181.6083 137 N 4.6297 8.2273 116.4902 53.7562 39.0357 174.7777 138 G 3.7546 7.2663 106.4686 47.0621 0.0000 174.5978 139 E 3.9604 7.5965 120.3494 57.0729 29.8592 176.4937 140 W 4.6322 6.9687 115.7930 56.8394 30.1707 175.1818 141 S 4.7668 8.6596 115.2979 56.1116 62.3803 170.7527 142 I 4.2909 8.8938 126.3485 59.4122 37.6898 176.1916 143 N 4.6134 8.6895 123.4349 54.4762 39.6538 174.9857 144 D 4.9592 7.4745 117.3795 51.7877 39.6948 177.2119 145 V 3.4122 7.8676 121.5910 67.3139 32.1494 176.0535 146 N 4.1494 8.3718 115.2921 56.4375 38.3010 176.8940 147 A 3.9411 7.9023 121.3766 55.3311 18.5319 179.6635 148 V 3.4900 7.7338 116.3098 66.1879 31.6509 178.4590 149 S 4.2903 9.0513 116.0430 61.5849 62.6813 176.8840 150 K 4.1413 8.0041 120.8245 59.3441 31.7312 179.4247 151 I 3.6768 7.8042 119.9523 64.2618 37.1339 178.0549 152 A 3.5599 8.1572 121.3397 55.0892 18.2139 179.3475 153 A 3.2117 6.9583 118.6148 55.3731 18.3712 179.7393 154 N 4.5566 8.3856 115.9138 55.5520 38.6191 177.3172 155 A 3.8592 8.5230 122.6888 55.3363 18.3616 179.8078 156 V 3.1790 7.5976 116.0889 66.1380 31.5737 177.6790 157 N 4.5611 8.4222 116.8523 56.5702 38.6604 176.9325 158 G 3.5990 7.9732 107.1557 47.9393 0.0000 175.7721 159 I 3.6910 7.6306 122.8994 63.6790 36.8584 178.6152 160 V 3.4493 7.6426 118.2339 66.2877 31.6364 177.5006 161 T 3.8319 7.8885 115.3178 66.8161 68.2951 176.5453 162 F 4.8107 7.7945 116.8218 58.7674 38.7711 176.1981 163 T 4.7842 7.5421 109.6065 60.8169 69.0112 174.4937 164 H 4.6147 8.0139 125.6115 55.3683 27.6246 173.6025 165 E 4.8550 7.7496 126.4796 56.0660 33.8027 177.6100 166 Q 4.2531 7.0581 116.8526 54.9261 29.5888 174.9597 167 N 4.2116 8.6279 115.8708 54.4849 40.3218 175.3849 168 I 3.7388 8.3239 126.0670 63.9582 38.1060 177.9117 169 N 4.4379 8.9884 120.5788 56.5161 38.3651 177.5010 170 E 3.9773 8.1934 119.2856 61.3596 29.6754 181.1540 171 R 4.1051 7.9933 118.8465 59.5496 30.4021 179.2742 172 I 3.7433 8.0730 121.5669 64.7401 36.9685 179.4440 173 K 4.0266 8.3047 124.9172 59.7588 31.6331 181.7144 174 L 4.2052 8.2065 121.0775 58.0595 41.6502 179.2828 175 M 4.0471 8.2649 117.9285 59.0161 32.1014 178.0941 176 N 4.4821 8.2059 116.1091 56.2119 38.7864 177.3089 177 K 4.0519 8.3986 121.1922 59.6325 32.2288 178.1876 178 F 4.1672 8.8519 121.4639 61.3377 39.3212 176.8993 179 S 4.1313 8.4862 114.4841 61.8251 62.6572 176.8965 180 Q 4.3424 7.8987 123.0712 58.9572 28.6783 178.5758 181 I 3.7445 7.4907 119.3231 64.1006 37.3566 178.0404 182 F 3.9910 8.4088 121.8547 61.2906 39.2189 177.1462 183 L 3.7549 8.1193 118.5698 57.8556 40.9658 179.2123 184 N 4.4890 8.2945 117.0047 56.4368 38.6127 177.2010 185 G 3.2156 7.6104 106.6485 47.3560 0.0000 175.4971 186 L 3.9006 7.0292 120.2378 57.6591 41.7222 177.3372 187 S 4.3441 7.3762 117.8164 58.7810 62.8293 173.9520 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 3 L 8.18 4.35 0.00 1.68 1.58 0.92 0.44 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 4 K 8.66 3.98 0.00 1.80 1.78 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.37 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.35 7.81 5 D 8.16 5.13 0.00 2.70 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 K 8.18 4.34 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.06 7.81 7 I 7.58 4.01 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 1.52 0.54 0.91 0.00 0.00 8 L 8.21 4.28 0.00 1.76 1.82 1.16 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.03 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.62 3.62 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 1.05 0.00 0.00 1.02 0.00 0.00 11 A 8.61 3.74 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 12 K 8.07 3.90 0.00 1.99 2.10 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.52 7.81 13 E 8.06 4.01 0.00 2.14 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 2.31 2.50 0.00 14 L 8.16 3.88 0.00 1.67 1.39 0.75 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.11 4.59 0.00 3.21 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 16 I 7.81 4.05 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 1.57 0.70 0.92 0.00 0.00 17 K 8.05 4.10 0.00 1.84 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.37 7.81 18 N 8.46 5.29 0.00 2.59 2.77 0.00 0.00 7.13 7.55 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 19 G 8.13 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.64 4.29 0.00 2.70 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 21 N 8.02 4.55 0.00 2.94 2.93 0.00 0.00 7.10 7.23 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 22 A 8.10 4.13 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 23 T 6.80 4.50 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 1.18 0.00 0.00 24 T 7.80 4.54 4.17 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 1.17 0.00 0.00 25 T 8.28 4.04 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 1.20 0.00 0.00 26 G 7.92 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.15 3.99 0.00 2.05 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 2.34 2.31 0.00 28 I 7.22 3.68 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 1.41 0.62 0.91 0.00 0.00 29 V 7.59 4.00 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 0.90 0.00 0.00 0.97 0.00 0.00 30 K 8.12 4.14 0.00 1.90 1.72 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.33 7.81 31 L 7.56 4.73 0.00 1.75 1.58 0.92 0.62 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 32 S 7.34 4.83 0.00 3.81 3.84 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 33 E 8.36 3.84 0.00 2.07 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 2.22 2.37 0.00 34 S 8.04 4.91 0.00 3.83 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 35 S 8.29 4.89 0.00 3.66 3.66 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 36 K 8.72 4.33 0.00 1.75 1.86 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.08 7.81 37 G 8.09 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 0.00 0.00 0.00 38 N 8.14 4.56 0.00 2.89 2.92 0.00 0.00 6.74 7.85 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 39 L 8.08 4.49 0.00 1.72 1.62 0.92 0.86 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 40 Y 7.78 5.03 0.00 3.05 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 *43 F 8.06 4.41 0.00 3.27 2.94 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 44 K 8.01 3.74 0.00 1.77 1.52 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 0.99 7.81 45 T 7.57 4.87 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 1.33 0.00 0.00 46 K 8.82 3.90 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.35 1.47 7.81 47 E 8.38 4.12 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 I 7.48 4.32 1.94 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 1.28 0.87 1.14 0.00 0.00 125 D 8.09 4.39 0.00 3.09 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.88 3.80 0.00 3.21 3.31 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 0.00 128 H 8.45 4.41 0.00 3.49 3.54 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.41 3.62 2.26 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 1.10 0.00 0.00 1.07 0.00 0.00 130 I 7.52 3.75 1.74 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 1.62 0.83 0.80 0.00 0.00 131 F 8.86 4.85 0.00 3.10 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 0.00 132 K 8.86 4.15 0.00 1.73 1.81 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 133 E 8.72 4.30 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 134 G 8.37 3.49 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 0.00 135 N 8.53 4.56 0.00 3.05 2.96 0.00 0.00 7.08 6.70 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 0.00 136 L 7.96 4.09 0.00 1.73 1.59 0.92 1.29 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 0.00 137 N 8.23 4.63 0.00 2.65 2.65 0.00 0.00 7.33 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.27 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 0.00 139 E 7.60 3.96 0.00 1.16 1.44 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 0.00 2.02 1.79 0.00 140 W 6.97 4.63 0.00 3.25 3.20 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 0.00 141 S 8.66 4.77 0.00 3.60 3.67 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 0.00 142 I 8.89 4.29 1.86 0.00 0.00 0.50 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 0.77 0.75 0.00 0.00 143 N 8.69 4.61 0.00 2.68 2.86 0.00 0.00 6.94 8.06 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 0.00 144 D 7.47 4.96 0.00 2.74 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 0.00 145 V 7.87 3.41 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 1.23 0.00 0.00 0.98 0.00 0.00 146 N 8.37 4.15 0.00 2.78 2.87 0.00 0.00 6.89 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 0.00 147 A 7.90 3.94 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 0.00 148 V 7.73 3.49 1.69 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 0.45 0.00 0.00 0.73 0.00 0.00 149 S 9.05 4.29 0.00 3.85 4.08 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 0.00 0.00 0.00 150 K 8.00 4.14 0.00 2.03 1.88 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.61 7.81 151 I 7.80 3.68 2.13 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 1.50 0.91 1.08 0.00 0.00 152 A 8.16 3.56 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 0.00 153 A 6.96 3.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.39 4.56 0.00 3.00 2.93 0.00 0.00 6.42 6.80 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 0.00 155 A 8.52 3.86 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 0.00 156 V 7.60 3.18 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 1.01 0.00 0.00 1.01 0.00 0.00 157 N 8.42 4.56 0.00 3.28 2.96 0.00 0.00 7.15 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 0.00 158 G 7.97 3.60 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 0.00 0.00 0.00 159 I 7.63 3.69 1.76 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.82 0.00 0.00 160 V 7.64 3.45 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 0.60 0.00 0.00 0.53 0.00 0.00 161 T 7.89 3.83 3.46 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 0.00 0.00 0.00 0.88 0.00 0.00 162 F 7.79 4.81 0.00 3.18 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 0.00 163 T 7.54 4.78 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 1.28 0.00 0.00 164 H 8.01 4.61 0.00 3.13 3.27 0.00 6.01 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 7.75 4.85 0.00 1.98 1.77 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 1.97 1.68 0.00 166 Q 7.06 4.25 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 167 N 8.63 4.21 0.00 2.84 2.75 0.00 0.00 6.51 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 0.00 168 I 8.32 3.74 1.84 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 1.60 1.02 0.89 0.00 0.00 169 N 8.99 4.44 0.00 2.76 2.84 0.00 0.00 6.96 7.84 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 0.00 170 E 8.19 3.98 0.00 1.97 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 2.32 1.99 0.00 171 R 7.99 4.11 0.00 2.01 1.98 0.00 3.29 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 172 I 8.07 3.74 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 1.36 1.26 0.93 0.00 0.00 173 K 8.30 4.03 0.00 1.74 1.81 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 174 L 8.21 4.21 0.00 1.83 1.79 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 175 M 8.26 4.05 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 176 N 8.21 4.48 0.00 3.15 3.07 0.00 0.00 6.67 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 0.00 177 K 8.40 4.05 0.00 1.95 2.08 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.58 7.81 178 F 8.85 4.17 0.00 3.16 3.24 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 0.00 179 S 8.49 4.13 0.00 3.15 3.34 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 0.00 180 Q 7.90 4.34 0.00 2.47 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 181 I 7.49 3.74 1.92 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 1.43 0.80 0.91 0.00 0.00 182 F 8.41 3.99 0.00 2.17 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 0.00 183 L 8.12 3.75 0.00 1.88 1.82 1.33 -0.05 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 0.00 184 N 8.29 4.49 0.00 2.96 2.81 0.00 0.00 7.08 8.65 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 0.00 185 G 7.61 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 0.00 0.00 0.00 186 L 7.03 3.90 0.00 1.54 1.49 0.20 0.67 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 0.00 187 S 7.38 4.34 0.00 3.74 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 * Residues marked with a * may have inaccurate shift predictions.