NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2986 8.3049 118.1444 54.9352 32.5665 174.3682 2 F 4.7778 8.8395 118.7851 53.7894 42.1589 174.0536 3 D 4.9012 9.2711 126.5023 51.3840 43.8125 176.9609 4 A 3.8757 8.4742 121.3409 55.5669 18.0548 179.9941 5 F 4.3624 7.7092 115.4612 61.0787 39.2740 177.9974 6 T 4.1466 8.8008 109.1712 64.1179 68.1851 176.4766 7 K 3.4541 8.2183 123.3746 59.3969 32.2576 178.9237 8 V 3.8569 7.3936 118.4915 64.9950 31.3486 178.2437 9 V 3.6037 7.8229 118.5030 66.0424 31.4900 178.2003 10 S 4.1921 8.1027 113.9702 61.5921 62.3949 176.4791 11 Q 3.9201 7.7343 121.0637 58.6491 28.4363 178.5232 12 A 3.9870 8.1184 121.8957 54.9944 18.3374 179.1655 13 D 4.2905 8.5567 117.1642 57.8345 41.0620 178.6116 14 T 3.8672 7.6588 114.9006 65.9900 68.4976 175.7408 15 R 4.4284 7.3266 117.3577 54.9004 30.7123 176.4525 16 G 3.9710 8.1103 106.8997 46.6811 0.0000 173.4671 17 E 4.7777 8.0400 117.1249 54.0899 32.8445 176.1744 18 M 4.3645 8.3036 120.3717 54.3568 33.0312 176.4928 19 L 3.9359 8.4350 121.1424 55.6348 42.4187 178.3853 20 S 4.5325 8.3512 117.3852 57.8299 65.7705 175.5228 21 T 3.8529 8.2843 117.1882 66.7874 67.8307 176.8992 22 A 4.0199 7.9920 122.1214 54.9976 18.2146 179.6705 23 Q 3.9583 7.7967 116.6305 59.2559 28.9616 178.6888 24 I 3.7768 7.7228 120.8006 64.4777 37.0997 178.2702 25 D 4.3609 8.3825 119.6573 57.1799 40.7278 178.5916 26 A 4.6736 7.6489 122.2802 54.8151 18.3361 179.7520 27 L 3.9758 7.7629 117.5725 57.9756 41.5873 179.9261 28 S 4.1938 8.2785 115.3153 61.6343 62.7075 176.7320 29 Q 3.9855 8.2572 120.8707 59.0970 28.2145 178.4502 30 M 3.9980 7.6214 117.8589 58.4738 32.6762 178.1690 31 V 3.7659 8.0997 118.2894 66.1183 31.5786 177.8848 32 A 4.0878 8.1756 119.2876 54.3975 18.3689 178.3937 33 E 4.5150 7.8545 114.5596 56.1794 30.1097 177.8642 34 S 4.1696 7.8281 116.3605 61.5481 62.6860 176.3821 35 N 4.3398 8.1384 119.7384 56.3750 38.3502 177.2353 36 K 4.0524 7.9215 119.5229 59.2952 32.1786 179.4294 37 R 3.9305 7.8502 118.6902 59.4807 30.0085 178.4719 38 L 4.1772 8.1106 118.7802 57.7228 41.5739 179.1927 39 D 4.3619 8.2356 118.9375 57.2252 40.7390 178.5909 40 A 4.0833 8.2641 121.4421 54.9869 18.3014 179.8880 41 V 3.5830 7.8222 116.5031 66.2513 31.6331 177.7233 42 N 4.3048 8.4273 116.9448 56.7972 38.5467 177.0182 43 R 3.9331 8.2621 118.6898 59.3437 30.4909 178.8736 44 I 3.9223 7.9371 119.5591 64.7291 37.2419 178.6231 45 T 3.8770 8.1410 116.7210 66.7905 68.1066 176.6589 46 S 4.4237 8.3372 115.3802 60.1416 62.9389 174.6399 47 N 4.9763 7.8458 118.9281 52.5777 39.5371 176.2755 48 A 3.9882 8.0104 121.8294 55.6587 18.2954 180.4981 49 S 4.0699 8.0994 112.7323 62.2288 62.8932 177.1828 50 T 3.8547 7.8145 117.5226 66.6524 68.2954 176.6612 51 I 3.6671 8.0293 122.0418 64.3183 37.0561 178.6936 52 V 3.5337 7.9859 119.2788 66.0503 31.4700 178.1904 53 S 4.1178 8.2345 114.1464 61.6382 62.8062 176.1631 54 N 4.3055 8.6063 120.4282 55.8534 38.2820 177.3433 55 A 3.9032 8.0142 122.0480 54.9182 18.4776 179.5825 56 A 3.4193 8.1373 119.6236 54.9759 18.4488 179.7935 57 R 3.9067 7.9380 117.1733 59.7984 30.1977 178.9047 58 S 4.0957 7.9485 114.8888 61.4354 62.7812 176.4224 59 L 3.8434 7.7135 122.9465 58.2686 41.5567 179.1592 60 F 4.5920 7.5586 116.3039 60.4474 38.9198 177.3659 61 A 4.1957 8.0326 119.9116 54.8496 18.2535 178.8597 62 E 4.2228 8.1398 116.9823 57.7583 31.3385 176.9399 63 Q 4.5780 7.9556 117.7142 52.8528 29.7292 173.5963 64 P 4.4494 0.0000 0.0000 65.2358 31.4774 179.3725 65 Q 4.1512 8.0366 116.5263 58.2169 28.9830 178.2530 66 L 4.0551 8.0774 119.3955 57.2182 41.6955 177.8728 67 I 4.0703 7.4915 108.6133 60.6791 38.7402 175.7858 68 A 4.0709 7.6523 124.8668 51.0256 18.8290 175.0573 69 P 2.9700 0.0000 0.0000 63.9440 31.6657 176.5279 70 G 4.1357 8.4466 110.5734 45.5880 0.0000 175.6563 71 G 4.2858 8.0812 110.4023 44.5497 0.0000 175.3855 *75 A 4.1884 8.6160 128.3626 51.1766 19.9008 176.3334 76 Y 4.2207 7.6029 117.8452 58.4273 39.8143 175.5368 77 T 3.0354 7.1409 112.0540 62.0547 68.9413 172.9531 78 S 4.0122 8.3046 118.9269 61.7460 62.8571 177.0273 79 R 3.8361 7.7816 120.8485 59.5738 29.8512 178.7123 80 R 3.9587 7.6719 118.0193 59.2611 29.9429 178.7045 81 M 3.9666 7.9812 117.8850 58.6103 32.2401 178.1755 82 A 3.9759 8.2711 120.8603 55.0072 18.4804 179.5394 83 A 3.9625 8.0475 119.4486 55.3872 18.2526 179.4462 84 C 4.1384 8.2780 116.6020 62.6323 32.0006 175.4527 85 L 4.1932 8.2875 120.8594 57.7745 41.1798 179.4335 86 R 3.9274 8.0507 118.6539 59.5722 29.9592 178.2477 87 D 4.4405 8.3546 118.6746 57.6534 40.8472 178.6832 88 M 4.0804 7.9788 118.6224 58.4874 31.9689 178.3083 89 E 3.9528 8.3087 119.3368 59.1876 29.8188 178.8143 90 I 3.6609 8.4323 120.1952 64.5006 37.2276 178.4759 91 I 3.8060 8.0192 120.6625 64.4133 37.0774 178.3017 92 L 4.0041 8.0442 121.1529 57.9389 41.9424 179.0162 93 R 3.4729 8.0116 119.0320 59.5926 30.0415 178.2614 94 Y 3.8033 7.6775 116.1194 60.4465 37.6688 178.5985 95 V 3.4278 7.6713 120.0112 66.0186 31.5364 178.1833 96 T 3.8729 7.6459 109.3019 64.8003 68.3674 176.1396 97 Y 4.2983 7.6704 119.1674 61.0543 37.8716 178.1668 98 A 4.0515 7.9535 122.9242 54.5560 18.0847 179.8472 99 V 3.7364 7.7082 115.7338 66.2028 31.6959 177.7678 100 F 4.2835 8.3588 119.4342 61.0649 39.4982 176.5677 101 A 4.2404 8.7922 120.5212 52.2795 18.2050 178.3885 102 G 3.9844 9.1824 105.0330 45.5007 0.0000 172.9389 103 D 4.6140 7.5586 116.5591 51.7840 44.1596 175.4820 104 A 4.0761 8.7447 126.8604 52.6790 18.6857 179.3725 105 S 4.1318 8.1729 114.0814 61.5652 62.8909 176.9893 106 V 3.5727 7.8500 122.6663 64.2472 30.9399 177.8270 107 L 3.8472 7.8192 120.4596 57.7758 42.0096 178.3948 108 E 3.8850 8.4083 118.7454 59.5898 29.2397 179.0371 109 D 4.2880 8.6795 118.3750 57.3246 41.1156 178.5967 110 R 4.2261 7.7026 115.3615 56.2864 30.7538 176.1476 111 C 4.2967 7.2762 115.4790 60.7387 33.5594 174.8370 112 L 3.9732 7.7544 119.3698 57.0984 41.4758 176.0610 113 N 4.3008 7.9079 117.4566 56.3773 38.6420 174.7242 114 G 4.4330 8.8640 115.5450 45.0630 0.0000 174.0497 115 L 3.5891 7.9340 121.7812 58.1894 41.9582 178.6162 116 R 3.9509 7.9611 117.9644 59.8071 29.9208 178.1405 117 E 4.0314 8.0672 117.6327 59.4521 29.2100 179.2839 118 T 3.8133 7.6372 115.9116 66.9848 68.4539 176.3731 119 Y 4.4685 7.8971 118.5708 60.8127 37.5890 178.2363 120 L 3.9839 7.8850 120.6225 58.1995 42.3668 178.7310 121 A 4.1671 7.9731 118.8892 54.2809 18.3689 178.7566 122 L 4.3882 7.5092 116.5547 55.0359 42.2953 177.8717 123 G 4.0276 8.3401 106.0041 45.3746 0.0000 173.1878 124 T 3.9564 7.6445 116.7895 61.9647 68.9791 173.2859 125 P 4.4268 0.0000 0.0000 62.8781 31.2200 176.9964 126 G 3.8234 8.8261 113.9488 47.3236 0.0000 173.4185 127 S 4.2190 8.0227 115.9434 61.3692 63.0126 176.7445 128 S 4.0957 7.9698 118.9562 61.2824 62.5290 176.5080 129 V 3.5136 7.7232 120.2807 65.9589 31.2211 177.6568 130 A 4.0121 8.0125 120.3763 55.3500 18.3345 179.7845 131 V 3.7504 7.6957 116.6823 65.9210 31.5023 178.5773 132 G 3.4695 7.9861 105.6426 47.6910 0.0000 175.8940 133 V 3.7612 8.2238 121.6317 65.6628 31.6873 178.2236 134 G 3.6158 8.6248 105.7826 47.8007 0.0000 175.8036 135 K 3.9356 7.9202 120.4780 59.5419 32.0860 179.4169 136 M 3.9821 7.9096 118.9665 57.8857 31.7072 178.6244 137 K 2.4800 7.7018 120.4367 58.9758 32.2593 178.7163 138 E 3.8213 7.8126 117.2766 59.2128 29.6309 178.8430 139 A 3.8845 7.8902 121.5622 54.6854 18.4644 179.4015 140 A 3.9354 8.2619 119.6203 55.2970 18.4230 179.7317 141 L 3.9306 8.0071 117.3515 58.1088 41.3834 179.6920 142 A 3.9733 8.1309 120.5499 55.2897 18.0027 179.7974 143 I 3.7096 7.4969 117.4644 64.4672 37.2311 178.5157 144 V 3.7884 7.6792 118.3742 65.7138 31.5080 177.1204 145 N 4.7665 8.2353 113.8285 52.7040 38.7256 174.6273 146 D 4.3420 7.3093 121.0532 53.8783 41.2349 174.2801 147 P 4.4172 0.0000 0.0000 63.7407 31.9534 176.3598 148 A 4.1027 8.1053 123.5326 53.1000 18.8279 177.4026 149 G 3.9412 9.4325 109.5461 45.9258 0.0000 173.1525 150 I 4.4679 7.4724 116.6808 59.0617 40.8631 174.2719 151 T 3.8830 8.5681 123.3338 63.0989 68.5895 172.4832 152 P 4.3129 0.0000 0.0000 62.5910 31.8103 176.1540 153 G 3.8081 7.6481 106.7550 46.2213 0.0000 170.6370 154 D 4.7887 8.6031 119.0303 53.0387 42.1298 175.9616 155 C 4.8707 8.4612 123.2059 59.4067 29.5315 175.8630 156 S 4.0857 8.6538 118.5109 61.6083 62.2873 176.2803 157 A 3.9294 7.9102 123.8710 54.7980 18.1811 179.0957 158 L 3.8982 7.9783 118.1212 58.2931 42.0916 178.7921 159 A 4.0237 8.2271 120.9314 55.3338 18.2379 179.8761 160 S 4.0444 7.9156 113.3648 61.4455 62.6525 176.4338 161 E 3.6154 8.1275 121.9722 59.2251 29.2941 178.7433 162 I 3.8436 7.9862 119.8527 64.5544 37.2249 178.0633 163 A 4.2153 8.1915 121.6684 55.4679 18.1652 179.8434 164 S 4.0618 8.0756 112.6240 61.7991 62.9344 176.4221 165 Y 4.3742 7.5110 119.9754 60.7885 37.5107 178.2221 166 F 4.1807 8.1260 118.6853 60.7497 39.0702 177.3731 167 D 4.4534 8.5041 118.5813 57.4282 40.5286 179.0584 168 R 3.9601 8.1778 118.3693 59.2681 29.8865 178.9108 169 A 4.0292 7.6171 118.7164 55.3139 18.7113 179.1451 170 C 4.2511 8.4033 115.0359 63.1520 28.4692 176.1749 171 A 4.0327 8.5518 122.3584 55.2768 17.7073 179.4391 172 A 4.2021 8.1890 118.0626 54.3247 18.5991 178.4101 173 V 4.4638 7.8091 108.0344 60.8327 33.7553 176.1251 174 S 4.3453 7.7732 120.4077 58.8025 62.6133 173.9136 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 1 M 8.30 4.30 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 2 F 8.84 4.78 0.00 3.18 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 3 D 9.27 4.90 0.00 3.06 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 4 A 8.47 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.71 4.36 0.00 3.26 3.04 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 0.00 0.00 0.00 6 T 8.80 4.15 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 1.39 0.00 0.00 7 K 8.22 3.45 0.00 1.95 1.94 0.00 0.89 0.00 0.00 1.12 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.33 7.81 8 V 7.39 3.86 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 1.18 0.00 0.00 0.98 0.00 0.00 9 V 7.82 3.60 2.28 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 1.10 0.00 0.00 1.03 0.00 0.00 10 S 8.10 4.19 0.00 4.12 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 0.00 11 Q 7.73 3.92 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 12 A 8.12 3.99 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.56 4.29 0.00 2.87 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 14 T 7.66 3.87 4.41 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 1.21 0.00 0.00 15 R 7.33 4.43 0.00 1.77 1.96 0.00 3.45 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 16 G 8.11 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 17 E 8.04 4.78 0.00 1.93 1.82 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 2.22 2.29 0.00 18 M 8.30 4.36 0.00 2.01 1.99 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 2.60 2.56 0.00 19 L 8.44 3.94 0.00 1.64 1.65 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.35 4.53 0.00 4.05 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 21 T 8.28 3.85 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 1.25 0.00 0.00 22 A 7.99 4.02 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 Q 7.80 3.96 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 24 I 7.72 3.78 1.89 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 1.55 0.77 0.93 0.00 0.00 25 D 8.38 4.36 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.67 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 27 L 7.76 3.98 0.00 1.96 2.01 1.13 0.73 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 28 S 8.28 4.19 0.00 4.05 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 29 Q 8.26 3.99 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 30 M 7.62 4.00 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 31 V 8.10 3.77 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 1.00 0.00 0.00 1.23 0.00 0.00 32 A 8.18 4.09 1.35 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 0.00 0.00 0.00 33 E 7.85 4.51 0.00 2.00 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 2.24 2.46 0.00 34 S 7.83 4.17 0.00 4.06 4.33 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 35 N 8.14 4.34 0.00 2.80 2.92 0.00 0.00 7.18 7.25 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 36 K 7.92 4.05 0.00 1.78 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 37 R 7.85 3.93 0.00 1.87 2.10 0.00 3.08 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 38 L 8.11 4.18 0.00 1.94 1.77 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.24 4.36 0.00 2.90 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 40 A 8.26 4.08 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 0.00 0.00 0.00 0.00 0.00 41 V 7.82 3.58 2.38 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 1.16 0.00 0.00 1.23 0.00 0.00 42 N 8.43 4.30 0.00 2.87 2.98 0.00 0.00 7.31 8.15 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 43 R 8.26 3.93 0.00 1.88 2.01 0.00 3.25 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 44 I 7.94 3.92 1.93 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 1.62 0.86 1.00 0.00 0.00 45 T 8.14 3.88 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 1.19 0.00 0.00 46 S 8.34 4.42 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 47 N 7.85 4.98 0.00 2.82 2.76 0.00 0.00 6.70 7.92 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 48 A 8.01 3.99 1.39 0.00 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 57 R 7.94 3.91 0.00 2.03 2.07 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 58 S 7.95 4.10 0.00 3.93 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 59 L 7.71 3.84 0.00 1.59 1.35 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.56 4.59 0.00 3.11 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 61 A 8.03 4.20 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 62 E 8.14 4.22 0.00 2.16 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 0.00 2.31 2.34 0.00 63 Q 7.96 4.58 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 64 P 0.00 4.45 0.00 2.22 2.35 0.00 3.72 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 65 Q 8.04 4.15 0.00 2.22 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 66 L 8.08 4.06 0.00 1.88 1.86 1.11 0.64 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 67 I 7.49 4.07 1.74 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 1.37 0.55 0.24 0.00 0.00 68 A 7.65 4.07 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 69 P 0.00 2.97 0.00 1.69 1.38 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 70 G 8.45 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 0.00 0.00 0.00 71 G 8.08 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 0.00 0.00 0.00 0.00 *75 A 8.62 4.19 1.19 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 0.00 0.00 76 Y 7.60 4.22 0.00 3.05 3.08 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 77 T 7.14 3.04 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 0.70 0.00 0.00 78 S 8.30 4.01 0.00 3.80 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 79 R 7.78 3.84 0.00 1.79 1.87 0.00 3.34 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 80 R 7.67 3.96 0.00 1.99 1.95 0.00 3.20 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 81 M 7.98 3.97 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 82 A 8.27 3.98 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 83 A 8.05 3.96 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.28 4.14 0.00 3.11 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 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0.00 1.67 1.63 0.00 2.89 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.74 0.00 94 Y 7.68 3.80 0.00 2.99 2.92 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 95 V 7.67 3.43 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 0.47 0.00 0.00 0.57 0.00 0.00 96 T 7.65 3.87 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 1.21 0.00 0.00 97 Y 7.67 4.30 0.00 3.23 2.92 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 98 A 7.95 4.05 0.61 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 0.00 0.00 99 V 7.71 3.74 2.35 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 0.96 0.00 0.00 1.19 0.00 0.00 100 F 8.36 4.28 0.00 3.16 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 0.00 101 A 8.79 4.24 1.40 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 0.00 0.00 0.00 127 S 8.02 4.22 0.00 4.06 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 0.00 128 S 7.97 4.10 0.00 4.05 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 0.00 129 V 7.72 3.51 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 1.23 0.00 0.00 0.54 0.00 0.00 130 A 8.01 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.75 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 1.00 0.00 0.00 0.94 0.00 0.00 132 G 7.99 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 0.00 133 V 8.22 3.76 2.30 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 1.36 0.00 0.00 1.07 0.00 0.00 134 G 8.62 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 0.00 135 K 7.92 3.94 0.00 1.94 1.79 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.62 7.81 136 M 7.91 3.98 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.67 0.00 137 K 7.70 2.48 0.00 1.14 1.63 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.11 7.81 138 E 7.81 3.82 0.00 2.20 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 2.45 2.27 0.00 139 A 7.89 3.88 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 0.00 140 A 8.26 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.93 0.00 1.80 1.72 0.91 1.05 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 0.00 142 A 8.13 3.97 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 0.00 143 I 7.50 3.71 2.14 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 1.41 0.68 0.93 0.00 0.00 144 V 7.68 3.79 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 0.87 0.00 0.00 1.02 0.00 0.00 145 N 8.24 4.77 0.00 2.73 2.85 0.00 0.00 6.98 8.86 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 0.00 146 D 7.31 4.34 0.00 2.64 2.71 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 0.00 147 P 0.00 4.42 0.00 2.22 2.15 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 148 A 8.11 4.10 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 0.00 149 G 9.43 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 0.00 0.00 0.00 150 I 7.47 4.47 1.88 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 1.43 0.71 1.02 0.00 0.00 151 T 8.57 3.88 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 0.00 152 P 0.00 4.31 0.00 2.18 2.07 0.00 3.87 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 1.99 1.98 0.00 153 G 7.65 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 0.00 0.00 0.00 154 D 8.60 4.79 0.00 2.61 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 0.00 155 C 8.46 4.87 0.00 2.99 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 0.00 156 S 8.65 4.09 0.00 4.05 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 0.00 157 A 7.91 3.93 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 0.00 158 L 7.98 3.90 0.00 1.78 1.88 0.95 1.25 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 0.00 159 A 8.23 4.02 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 0.00 160 S 7.92 4.04 0.00 4.05 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 0.00 161 E 8.13 3.62 0.00 1.96 2.01 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 1.86 2.11 0.00 162 I 7.99 3.84 2.12 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 1.59 1.55 1.21 0.00 0.00 163 A 8.19 4.22 1.42 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 0.00 164 S 8.08 4.06 0.00 3.95 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 0.00 165 Y 7.51 4.37 0.00 2.99 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 0.00 166 F 8.13 4.18 0.00 3.28 3.09 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 0.00 167 D 8.50 4.45 0.00 2.88 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 0.00 168 R 8.18 3.96 0.00 2.21 2.04 0.00 3.37 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 169 A 7.62 4.03 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 0.00 0.00 0.00 0.00 0.00 170 C 8.40 4.25 0.00 3.21 3.04 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 0.00 0.00 0.00 171 A 8.55 4.03 1.39 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 0.00 0.00 172 A 8.19 4.20 1.42 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 0.00 173 V 7.81 4.46 2.34 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 0.96 0.00 0.00 1.16 0.00 0.00 174 S 7.77 4.35 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.