NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -11 H 4.8770 8.4444 117.8325 55.4651 30.1886 172.7008 -10 H 4.1488 9.2731 124.1184 56.0351 30.2525 173.0131 -9 S 4.7389 8.8316 123.5418 56.5860 65.2135 173.9948 -8 S 4.2101 8.3657 120.9240 59.7907 63.5823 175.0142 -7 G 3.9668 8.2338 112.4789 46.2141 0.0000 175.1595 -6 L 4.3573 7.7116 117.8527 54.2046 42.3585 176.5769 -5 V 4.5612 7.2777 118.8720 59.4815 32.5283 174.5047 -4 P 4.1760 0.0000 0.0000 65.0940 31.8380 176.4805 -7 I 4.1768 7.9038 123.5789 62.2141 35.7324 176.6595 -6 R 4.3573 7.7816 116.5527 55.1046 30.8585 175.2769 -5 K 4.7612 7.5377 120.0720 53.4815 32.7283 174.8047 -4 K 4.0760 8.5951 127.2618 57.9940 32.8380 175.7805 8 L 5.0192 9.2234 129.8863 53.2874 44.7779 174.9261 9 V 5.0168 8.6429 125.4458 61.1121 33.9300 173.6828 10 I 4.9780 8.6402 127.7036 59.4877 40.2929 174.6378 11 V 4.4036 9.6576 121.5092 58.9777 36.3383 174.7922 12 G 3.5405 6.6680 109.5754 43.5736 0.0000 172.0024 13 D 4.8466 8.1276 119.9001 54.0354 41.4060 176.8663 14 G 3.8961 8.8034 110.1396 47.5137 0.0000 173.4680 15 A 3.7758 8.8646 124.1582 52.6329 16.1741 178.6058 16 C 3.8565 7.8735 110.6645 59.2767 30.3159 174.4424 17 G 4.1927 7.7466 110.1273 45.8968 0.0000 176.0800 18 K 3.8975 8.3818 120.6452 59.6418 31.9813 179.2252 19 T 3.9855 7.7883 115.3186 66.8990 68.3815 176.4557 20 C 3.9736 7.9874 118.1654 62.5306 28.1822 175.7666 21 L 4.0115 8.0287 121.9634 58.1904 41.6966 179.0604 22 L 4.0079 7.9246 118.9025 57.7664 41.5093 179.6583 23 I 2.6287 7.3314 121.0893 63.3857 36.9692 178.6210 24 V 3.5039 7.8692 119.4347 65.8531 31.1243 177.7283 25 F 4.1142 7.8270 119.3656 61.3873 38.9689 176.9718 26 S 3.6076 7.7602 113.7799 60.0284 62.5993 175.4031 27 K 4.3972 8.0150 119.3891 54.4760 32.7233 175.7670 28 D 4.5858 8.0035 117.4543 54.3133 40.2596 172.9844 29 Q 4.4168 7.3551 117.1060 54.0161 32.0882 173.6021 30 F 4.4397 8.8589 128.6633 57.2505 41.4818 171.8447 31 P 4.2902 0.0000 0.0000 63.0841 29.9646 177.3945 *35 V 4.0009 8.8206 113.8098 61.9886 33.1189 172.9557 36 P 4.5539 0.0000 0.0000 62.2297 32.1819 176.4754 37 T 3.9929 8.5062 109.5723 64.1716 68.8471 175.1861 38 V 4.6824 7.2627 113.2836 58.4325 35.0695 175.2147 39 F 4.5358 9.6293 126.9173 57.7317 39.8340 174.9078 40 E 3.8359 8.0003 124.4750 55.8637 29.7746 176.4953 41 N 4.0869 8.1680 117.4936 54.0032 39.0777 174.0581 42 Y 4.4924 8.1739 123.0724 56.1012 42.7384 173.1705 43 I 4.9373 7.7777 126.6093 59.5660 39.4427 174.9254 44 A 4.6782 9.3795 129.9610 51.2043 20.7483 175.3564 45 D 5.3926 8.5535 120.2328 52.7175 42.8638 175.9425 46 I 4.8356 8.8763 123.2942 59.3081 42.0598 173.1029 47 E 5.1896 8.9246 126.8863 54.6782 31.3732 175.4686 48 V 4.4057 8.3075 123.4192 62.2170 34.6418 174.6926 49 D 4.4872 9.9130 124.4644 55.4829 38.3262 174.6943 50 G 3.9548 8.5884 104.2258 45.4995 0.0000 173.9186 51 K 4.5876 8.2385 119.7105 54.3180 34.3791 174.9888 52 Q 4.7975 8.5760 122.3282 54.9155 29.9439 175.2753 53 V 5.2160 8.9440 124.0687 61.2025 35.0927 173.8247 54 E 5.0359 8.8609 126.4484 54.7837 31.2195 175.0388 55 L 5.3505 9.2035 127.8338 53.1615 44.3188 175.0730 56 A 4.7870 8.7458 129.3591 51.8458 19.9054 175.7015 57 L 5.0916 8.9851 123.5851 53.1875 43.4197 176.5106 58 W 4.6207 9.5235 126.3237 55.0678 30.4123 175.5174 59 D 5.1858 8.7478 125.2331 54.0092 41.7964 175.2753 60 T 4.8258 7.8281 109.5752 59.7565 72.3669 173.0567 61 A 4.2115 8.4403 125.5850 51.4390 19.4324 178.2414 62 G 4.0566 8.5308 111.0611 47.0676 0.0000 174.5258 63 Q 4.3604 8.1981 119.1430 55.5403 29.6146 176.8258 64 E 4.3568 8.8718 121.2847 58.7049 29.8496 178.7167 65 D 4.2780 8.1394 117.3047 56.6768 41.1073 176.4318 66 Y 4.6698 8.0026 115.6293 57.8115 38.4663 177.0418 67 D 4.5205 8.2523 122.8941 57.7125 40.5657 179.0600 68 R 3.9787 7.9416 117.1486 58.9607 30.5082 178.2490 69 L 4.3517 7.8611 117.3232 56.1514 42.1021 178.6784 70 R 3.8118 8.0302 119.3132 59.0216 29.9846 176.4922 71 P 3.6701 0.0000 0.0000 64.5662 30.9346 178.1479 72 L 4.0403 7.5333 117.2997 57.2734 41.5386 178.6867 73 S 4.4848 7.7393 113.8811 60.1422 63.1851 175.4038 74 Y 4.4937 7.2931 121.2313 58.0228 37.7350 173.9987 75 P 4.1531 0.0000 0.0000 64.4168 31.7365 175.3294 76 D 4.4233 8.7989 120.7660 55.4235 38.7312 173.9852 77 T 3.9235 7.4222 115.9207 63.9363 68.9287 175.0369 78 D 4.8601 8.5047 124.7594 55.6150 42.5960 177.0569 79 V 4.6153 7.4593 115.9829 60.4049 34.9527 173.1355 80 I 5.0058 8.5792 123.4749 59.6173 40.2578 174.4816 81 L 4.7858 8.8889 127.4823 53.7099 43.2029 175.1965 82 M 4.8282 9.0830 125.6128 54.1210 33.6714 174.3739 83 C 5.4338 8.9482 124.5677 57.9931 31.7833 172.9319 84 F 4.9970 8.4003 115.6678 55.3651 41.9701 172.9523 85 S 5.0221 8.9919 114.0651 56.5279 63.6847 175.2904 86 I 3.9524 8.8930 128.3809 64.1297 37.0459 177.1994 87 D 4.7501 7.8857 117.6121 53.8228 39.7666 176.9549 88 S 4.5648 8.2040 115.3375 54.9217 62.9828 171.9955 89 P 4.2154 0.0000 0.0000 65.1087 31.3372 177.5599 90 D 4.4879 8.1997 117.6893 57.2114 40.5173 178.6501 91 S 5.1079 8.0245 115.6276 60.8259 63.2638 176.0574 92 L 3.7893 7.7773 123.6816 57.9772 41.5143 178.6273 93 E 4.0146 8.0212 117.9725 59.1922 29.2977 178.5948 94 N 4.6244 8.2158 115.2949 54.9282 38.4767 177.2974 95 I 3.9907 7.8886 122.7102 64.0508 37.1236 176.4376 96 P 4.3289 0.0000 0.0000 65.3883 31.5086 177.8111 97 E 4.1194 7.6947 116.8214 58.0651 29.7610 176.4906 98 K 4.1779 7.9983 117.0703 57.5708 34.3063 178.1253 99 W 4.3956 7.8307 118.1248 59.9618 28.9729 178.7762 100 T 3.9776 8.4420 116.0807 66.2929 68.0969 175.0726 101 P 4.2421 0.0000 0.0000 65.4063 31.0067 178.3362 102 E 3.9862 8.2186 118.1158 59.4678 29.7024 179.0939 103 V 3.3061 8.2294 118.6371 65.8670 31.6073 178.0738 104 K 4.2309 8.5089 118.4585 59.0726 31.6151 178.9133 105 H 4.0152 7.7538 118.0293 58.9885 29.8389 176.6622 106 F 4.5438 7.5613 117.3374 58.4076 40.6835 176.0392 107 C 4.8814 8.3988 115.7022 57.3685 28.4846 173.1372 108 P 4.3929 0.0000 0.0000 64.5178 31.4409 177.6974 109 N 4.9345 7.9038 113.1637 52.5582 39.5038 173.9557 110 V 3.9963 7.4929 119.6015 61.6775 32.3069 174.3284 111 P 4.5272 0.0000 0.0000 63.0996 32.7634 174.8785 112 I 4.9486 8.4143 122.1988 59.7103 40.4324 174.1959 113 I 4.6748 8.7543 128.2252 59.7369 39.2303 174.4065 114 L 4.9783 8.8440 129.9285 54.1275 43.8019 175.2779 115 V 4.6422 8.9647 126.4735 60.9384 34.6041 174.4010 116 G 3.2068 8.5104 116.2817 45.1360 0.0000 173.0114 117 N 4.9341 8.6038 124.6925 51.6709 41.1360 175.1490 118 K 4.1721 8.3648 115.0381 56.4805 29.6621 178.1823 119 K 3.8799 8.1705 122.2303 59.3458 32.4990 178.1463 120 D 4.3928 8.0455 117.7824 55.6425 39.6039 177.3285 121 L 4.4969 8.0866 119.2809 54.7410 42.0514 178.3493 122 R 3.9426 7.9174 120.1552 58.7823 30.0464 177.1232 123 Q 4.6251 7.7997 113.6986 55.2088 29.7131 175.2457 124 D 4.4771 7.8098 118.6857 54.0520 42.7663 176.6309 125 E 3.9076 8.7104 127.0566 59.6591 29.8248 178.4088 126 H 4.1561 8.2203 117.8344 59.5031 29.8931 177.1448 127 T 3.7929 8.2624 117.4451 66.6076 68.2666 176.4214 128 R 3.8628 8.1230 120.6653 59.5783 29.9601 178.5225 129 R 3.8489 8.3132 118.7638 59.3051 30.4131 178.0923 130 E 3.9026 8.3056 119.3249 59.3632 29.5876 178.8589 131 L 3.8611 8.1722 118.9047 57.6044 41.6555 179.3072 132 A 4.1179 8.3226 121.3751 54.7859 18.0926 179.3968 133 K 4.1587 7.7482 115.8880 59.0018 32.8103 178.1615 134 M 4.4276 6.9854 117.1081 53.9846 32.4646 175.5496 135 K 3.8623 7.9815 117.2229 57.7594 30.1960 175.0526 136 Q 4.7581 8.4351 116.0137 53.2451 31.8494 174.4373 137 E 4.7561 8.1881 115.3827 54.0052 32.5420 173.1129 138 P 4.5585 0.0000 0.0000 62.6512 32.2189 176.5583 139 V 3.8702 8.4123 122.8932 63.5566 32.0550 176.0320 140 R 4.3462 9.3236 127.1942 55.7203 31.2160 177.8185 141 S 4.7395 9.2777 120.0597 61.3420 62.7906 177.0784 142 E 4.0307 8.1770 119.6072 59.3201 29.3621 179.0044 143 E 3.9716 8.0592 119.4101 59.0179 29.5442 179.2283 144 G 3.3436 7.9250 107.1379 47.0506 0.0000 175.7267 145 R 3.4383 7.7443 121.7899 58.9021 30.0354 178.0075 146 D 4.2251 8.1065 118.0334 57.5663 41.1743 177.9907 147 M 3.9131 7.9460 118.4426 58.4242 32.1566 177.9325 148 A 4.0349 8.0180 121.1956 55.3441 18.5404 179.4211 149 N 4.2831 8.2923 114.9907 56.4376 38.3964 177.6289 150 R 3.9483 7.9661 119.4868 58.5960 30.2015 177.5596 151 I 4.2006 7.5872 109.9403 59.4571 38.8889 175.5278 152 S 3.6127 7.9625 115.5516 59.6401 60.8503 172.2893 153 A 4.2795 8.1470 121.7576 52.0161 19.1785 178.1463 154 F 4.2023 9.2410 123.5198 61.4333 40.2735 174.9350 155 G 4.1828 7.7227 103.6448 45.9306 0.0000 171.4541 156 Y 5.5760 8.2174 119.8463 55.8523 41.9870 174.0012 157 L 4.5537 8.3347 124.8467 53.0039 46.7337 174.9856 158 E 4.9893 8.2653 119.9099 54.9239 33.0267 174.6771 159 C 4.9068 8.8864 116.7136 57.2160 34.2231 172.7002 160 S 4.6296 9.1256 113.6907 56.3212 63.9936 174.3676 161 A 4.0309 8.8872 131.2675 55.1615 18.6256 178.3515 162 K 2.4800 7.7331 116.0355 58.8186 32.1317 177.6006 163 T 4.1443 7.4892 105.6844 60.9811 69.6510 175.7513 164 K 4.0402 8.2116 121.4386 56.1207 31.2505 175.6847 165 E 3.9945 7.7726 120.9622 57.5856 30.0377 177.6730 166 G 4.1514 8.9767 113.2023 45.3660 0.0000 175.3297 167 V 3.5909 7.8544 120.1743 66.0009 31.4944 177.7249 168 R 4.1214 8.1437 117.9758 59.8233 29.9601 178.0700 169 E 3.9533 8.1930 117.6890 59.2051 29.4057 179.2657 170 V 3.3723 7.5709 117.9049 66.1554 31.5789 178.2009 171 F 3.7284 7.7429 117.2600 59.9531 38.5107 177.7923 172 E 4.0197 8.4771 118.8565 59.5046 29.1846 178.9641 173 M 4.0310 8.2920 118.2267 58.5820 32.2772 177.9518 174 A 3.7690 7.9403 120.9687 55.4971 18.4810 179.7819 175 T 3.7911 7.9562 114.0023 66.8417 68.3291 177.0246 176 R 3.9277 7.9657 118.6665 59.2168 30.2361 178.7075 177 A 3.1069 7.7461 120.6424 54.7649 18.0311 180.0451 178 G 3.4796 7.9593 103.0543 47.5892 0.0000 175.5489 179 L 4.1992 7.6461 120.7445 56.9541 41.7405 176.9528 180 Q 4.1979 7.6068 121.0542 56.2582 28.8564 175.5042 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 -11 H 8.44 4.88 0.00 3.19 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -10 H 9.27 4.15 0.00 3.22 3.25 0.00 5.92 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 -9 S 8.83 4.74 0.00 3.79 3.70 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 -8 S 8.37 4.21 0.00 3.89 3.79 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 -7 G 8.23 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 -6 L 7.71 4.36 0.00 1.59 1.69 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 -5 V 7.28 4.56 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 1.41 0.00 0.00 0.94 0.00 0.00 -4 P 0.00 4.18 0.00 2.07 2.09 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 -7 I 7.90 4.18 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.60 0.91 0.00 0.00 -6 R 7.78 4.36 0.00 1.83 1.83 0.00 3.24 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 -5 K 7.54 4.76 0.00 1.70 1.47 0.00 1.09 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 0.95 7.81 -4 K 8.60 4.08 0.00 1.62 1.90 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 8 L 9.22 5.02 0.00 1.80 1.82 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.64 5.02 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 1.10 0.00 0.00 0.87 0.00 0.00 10 I 8.64 4.98 1.91 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 1.15 1.39 1.04 0.00 0.00 11 V 9.66 4.40 1.65 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 0.86 0.00 0.00 0.86 0.00 0.00 12 G 6.67 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 13 D 8.13 4.85 0.00 2.97 2.80 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 14 G 8.80 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 0.00 0.00 0.00 15 A 8.86 3.78 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 16 C 7.87 3.86 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.75 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 0.00 0.00 0.00 18 K 8.38 3.90 0.00 1.77 1.84 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 19 T 7.79 3.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 20 C 7.99 3.97 0.00 3.03 3.14 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 21 L 8.03 4.01 0.00 1.87 1.91 1.04 0.38 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 22 L 7.92 4.01 0.00 1.68 1.61 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.33 2.63 1.63 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.23 0.63 0.00 0.00 24 V 7.87 3.50 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 1.08 0.00 0.00 1.18 0.00 0.00 25 F 7.83 4.11 0.00 2.46 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 26 S 7.76 3.61 0.00 2.72 3.39 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 27 K 8.02 4.40 0.00 1.66 1.74 0.00 1.84 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.14 1.47 7.81 28 D 8.00 4.59 0.00 2.67 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 29 Q 7.36 4.42 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 30 F 8.86 4.44 0.00 3.07 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 31 P 0.00 4.29 0.00 1.91 1.18 0.00 3.04 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.59 0.00 *35 V 8.82 4.00 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 0.80 0.00 0.00 0.79 0.00 0.00 36 P 0.00 4.55 0.00 2.43 2.05 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 37 T 8.51 3.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 38 V 7.26 4.68 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 0.64 0.00 0.00 0.86 0.00 0.00 39 F 9.63 4.54 0.00 2.76 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.00 3.84 0.00 1.85 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 41 N 8.17 4.09 0.00 2.54 2.61 0.00 0.00 6.65 7.46 0.00 0.00 0.00 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0.00 0.00 0.00 100 T 8.44 3.98 4.32 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 1.25 0.00 0.00 101 P 0.00 4.24 0.00 2.12 2.08 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 102 E 8.22 3.99 0.00 2.10 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 0.00 2.72 2.73 0.00 103 V 8.23 3.31 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 0.89 0.00 0.00 1.08 0.00 0.00 104 K 8.51 4.23 0.00 1.80 1.81 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.59 7.81 105 H 7.75 4.02 0.00 3.12 3.13 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 7.56 4.54 0.00 2.82 3.12 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 0.00 107 C 8.40 4.88 0.00 2.91 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 0.00 108 P 0.00 4.39 0.00 2.14 2.22 0.00 3.28 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 109 N 7.90 4.93 0.00 2.68 2.82 0.00 0.00 6.87 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 0.00 110 V 7.49 4.00 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 0.76 0.00 0.00 0.96 0.00 0.00 111 P 0.00 4.53 0.00 1.95 2.15 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 112 I 8.41 4.95 1.93 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 1.37 0.92 0.97 0.00 0.00 113 I 8.75 4.67 1.77 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 0.99 0.86 0.86 0.00 0.00 114 L 8.84 4.98 0.00 1.95 1.85 1.23 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.96 4.64 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 0.70 0.00 0.00 0.75 0.00 0.00 116 G 8.51 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 0.00 0.00 0.00 117 N 8.60 4.93 0.00 2.66 2.66 0.00 0.00 6.62 7.44 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 0.00 118 K 8.36 4.17 0.00 1.95 1.86 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.33 7.81 119 K 8.17 3.88 0.00 1.83 1.75 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.37 7.81 120 D 8.05 4.39 0.00 2.79 2.83 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 0.00 121 L 8.09 4.50 0.00 1.81 1.73 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.92 3.94 0.00 1.84 2.04 0.00 3.22 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 123 Q 7.80 4.63 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 124 D 7.81 4.48 0.00 2.74 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 0.00 125 E 8.71 3.91 0.00 2.13 1.94 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 2.39 2.44 0.00 126 H 8.22 4.16 0.00 3.29 3.46 0.00 5.93 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.26 3.79 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 128 R 8.12 3.86 0.00 1.96 2.07 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 129 R 8.31 3.85 0.00 1.99 1.88 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 130 E 8.31 3.90 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 131 L 8.17 3.86 0.00 1.73 1.73 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.32 4.12 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 0.00 133 K 7.75 4.16 0.00 1.89 1.95 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.47 7.81 134 M 6.99 4.43 0.00 2.02 2.20 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 2.54 2.85 0.00 135 K 7.98 3.86 0.00 1.92 1.90 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.39 7.81 136 Q 8.44 4.76 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 137 E 8.19 4.76 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 138 P 0.00 4.56 0.00 1.99 2.15 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 139 V 8.41 3.87 2.32 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 0.77 0.00 0.00 0.96 0.00 0.00 140 R 9.32 4.35 0.00 1.82 2.12 0.00 3.49 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 141 S 9.28 4.74 0.00 3.94 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 0.00 142 E 8.18 4.03 0.00 2.14 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 0.00 2.35 2.48 0.00 143 E 8.06 3.97 0.00 2.17 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 2.40 2.37 0.00 144 G 7.93 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 0.00 0.00 0.00 145 R 7.74 3.44 0.00 1.84 1.97 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 146 D 8.11 4.23 0.00 2.79 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 0.00 147 M 7.95 3.91 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 148 A 8.02 4.03 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 0.00 149 N 8.29 4.28 0.00 2.88 2.85 0.00 0.00 6.66 7.17 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 0.00 150 R 7.97 3.95 0.00 1.90 2.06 0.00 3.22 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 151 I 7.59 4.20 1.91 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 1.76 0.90 0.93 0.00 0.00 152 S 7.96 3.61 0.00 4.00 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 0.00 153 A 8.15 4.28 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 0.00 154 F 9.24 4.20 0.00 3.04 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 0.00 155 G 7.72 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 8.22 5.58 0.00 3.06 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 0.00 157 L 8.33 4.55 0.00 1.36 1.25 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.27 4.99 0.00 1.75 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 0.00 2.09 1.86 0.00 159 C 8.89 4.91 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 0.00 160 S 9.13 4.63 0.00 3.82 3.63 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 0.00 161 A 8.89 4.03 1.46 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 0.00 0.00 0.00 162 K 7.73 2.48 0.00 0.90 1.43 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.03 0.57 7.81 163 T 7.49 4.14 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 1.10 0.00 0.00 164 K 8.21 4.04 0.00 2.03 2.07 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.35 7.81 165 E 7.77 3.99 0.00 2.00 1.79 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 2.27 2.25 0.00 166 G 8.98 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.85 3.59 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 1.20 0.00 0.00 0.99 0.00 0.00 168 R 8.14 4.12 0.00 2.03 1.99 0.00 3.44 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 169 E 8.19 3.95 0.00 2.22 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 2.39 2.44 0.00 170 V 7.57 3.37 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 0.34 0.00 0.00 0.79 0.00 0.00 171 F 7.74 3.73 0.00 2.46 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 4.02 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 173 M 8.29 4.03 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.70 0.00 174 A 7.94 3.77 1.17 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 0.00 0.00 175 T 7.96 3.79 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 1.25 0.00 0.00 176 R 7.97 3.93 0.00 2.01 2.16 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 177 A 7.75 3.11 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 7.96 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 4.20 0.00 1.87 1.75 0.97 0.80 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 0.00 180 Q 7.61 4.20 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.