NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5409 8.3049 120.3388 55.8415 33.2228 175.0360 2 T 5.2472 8.4123 116.9278 61.0235 71.3524 170.6131 3 E 4.4361 8.9801 121.4841 55.0411 31.4655 174.6087 4 P 4.2869 0.0000 0.0000 63.1516 32.8223 175.0590 5 I 4.7156 8.3173 124.8827 59.8760 39.2328 174.5106 6 F 5.2552 9.5450 126.9623 56.3370 41.2361 174.7761 7 M 5.0820 9.5118 124.1041 54.2574 33.7371 175.7922 8 V 4.9100 10.1341 116.5064 59.3572 36.4419 175.5526 9 G 3.8424 8.4220 108.1471 43.4894 0.0000 172.3101 10 A 4.3599 7.5608 122.8138 50.5451 19.7092 176.9890 11 R 3.9537 8.4093 117.8415 58.4956 30.2160 177.5841 12 G 3.9983 9.0349 111.1922 45.4390 0.0000 174.4625 13 C 3.9042 7.8311 113.5984 59.3568 29.8633 174.7824 14 G 3.9346 7.9168 109.4361 45.6976 0.0000 175.7047 15 K 4.2302 8.0510 120.2274 59.8620 32.6353 178.7915 16 T 4.1680 8.2417 114.9902 67.0170 68.4448 176.7664 17 T 3.7154 7.7984 116.9975 66.7963 68.5409 176.8235 18 V 3.6834 8.0845 120.3692 65.6507 31.4778 178.2651 19 G 3.7619 8.2229 105.5495 47.9713 0.0000 175.7096 20 R 3.3786 7.5923 121.4345 58.7980 29.9398 179.0414 21 E 3.8883 7.9651 118.1586 59.2199 29.4094 179.2462 22 L 3.8807 8.1681 120.3370 57.8826 42.1887 178.7236 23 A 4.0477 8.1693 120.8568 55.2331 18.3879 179.3931 24 R 3.7607 8.2489 117.1612 59.7796 29.9524 178.5698 25 A 3.9719 8.0499 119.1643 54.7147 18.4182 178.7853 26 L 4.0359 7.6204 115.4567 54.3419 42.0111 177.4296 27 G 3.8227 7.5649 106.2691 46.4811 0.0000 172.9238 28 Y 5.1820 8.0194 116.7556 55.7171 40.4431 175.6411 29 E 4.3565 8.9249 119.3863 56.4538 31.2000 175.3493 30 F 5.5005 8.8067 123.5767 56.8228 41.7556 174.9816 31 V 4.2217 7.8931 117.4919 59.3726 36.2997 173.6997 32 D 5.1457 8.1016 122.7528 52.4959 43.4837 176.9713 33 T 3.9760 8.7091 117.2298 64.9642 68.8709 176.6001 34 D 4.5179 8.4825 121.7442 57.2972 41.0014 178.8930 35 I 3.7014 7.9808 119.7778 64.1791 37.2174 177.8488 36 F 4.0712 8.5595 121.9531 61.7603 39.0083 177.0406 37 M 4.0501 8.5294 118.3375 59.1324 31.7900 177.9687 38 Q 4.1761 8.2144 117.4498 59.8213 28.5768 178.7298 39 H 4.1657 8.0956 118.4116 59.4199 29.2489 177.6547 40 T 3.9807 7.4935 108.6946 62.9558 68.8505 175.6491 41 S 4.5405 7.8659 116.3829 58.0062 64.7975 175.2906 42 G 3.9460 8.8746 109.8120 44.9450 0.0000 172.8911 43 M 4.3678 7.5068 119.4927 54.0850 33.3670 176.2180 44 T 4.2905 8.3415 117.4556 61.1116 69.0093 175.4301 45 V 3.6408 8.6770 117.0337 64.8134 31.3667 178.4436 46 A 3.8798 8.0263 119.4141 55.5065 17.9420 179.2826 47 D 4.2456 7.9869 117.1200 57.3934 40.8911 179.2495 48 V 3.5373 7.5905 118.2661 65.8111 31.5928 177.9774 49 V 3.1428 7.9722 118.0536 65.7892 31.0385 177.4042 50 A 3.9895 7.4592 118.7817 55.5271 18.2267 179.2378 51 A 4.1837 7.4925 117.7040 54.3071 18.6093 178.1527 52 E 4.4166 8.0703 111.1978 54.9699 31.2701 177.1036 53 G 3.8297 8.8190 111.7612 44.9932 0.0000 174.5701 54 W 4.3322 8.4381 117.0112 59.3786 28.7792 176.7223 55 P 4.4504 0.0000 0.0000 65.4969 30.7050 178.9068 56 G 3.5925 8.0646 104.6562 47.6577 0.0000 175.6357 57 F 4.0720 8.2418 122.9260 61.0457 39.6226 177.1077 58 R 3.9214 8.5846 117.9016 59.4402 29.6822 179.2640 59 R 3.8952 7.6648 117.7689 59.4247 30.0957 179.4124 60 R 4.0630 7.9853 117.7350 58.8902 30.0313 178.7025 61 E 3.7701 8.0600 119.6010 59.2328 29.4271 179.0623 62 S 4.1580 7.9028 115.0827 61.3113 62.9492 176.5529 63 E 3.8154 7.8141 121.2192 59.3201 29.2215 179.2261 64 A 3.9946 7.9721 120.8209 54.7255 18.1754 179.4799 65 L 3.7996 7.6193 118.9861 58.5367 41.9840 179.3672 66 Q 3.3183 7.1088 116.2146 58.2482 28.5184 178.2690 67 A 4.0670 7.2603 121.0757 54.8043 18.6245 179.3073 68 V 3.8033 7.2934 107.4723 61.0780 33.0693 177.3846 69 A 4.3496 7.2314 123.2833 50.7795 16.8779 176.3316 70 T 4.7182 7.3698 110.4616 58.0595 72.4669 173.1168 71 P 4.7756 0.0000 0.0000 63.5886 32.4793 176.2160 72 N 3.1400 8.1554 116.5186 53.5525 35.9668 173.7780 73 R 5.0789 6.8367 116.7722 54.7716 34.7847 174.3188 74 V 4.6900 9.0479 126.2578 61.3418 33.7924 174.3670 75 V 4.4719 8.6520 129.1629 61.2844 33.2289 174.2601 76 A 4.9942 8.9953 131.4035 51.2856 20.1635 176.0774 77 T 5.2420 7.8054 112.1330 58.6444 71.8466 174.8309 78 G 3.8836 8.7288 111.4466 45.2564 0.0000 174.4707 79 G 3.9284 8.9830 110.0697 48.6880 0.0000 175.5565 80 G 3.7168 8.1875 109.0853 47.0296 0.0000 174.8766 81 M 3.7529 7.8825 119.6234 59.0768 32.0908 177.5814 82 V 3.8918 7.6288 107.7884 61.9842 31.8960 176.9994 83 L 4.0052 8.4474 122.0274 56.9925 42.0342 177.9643 84 L 4.2922 7.6271 120.2046 54.0967 43.8555 176.9206 85 E 3.8978 8.6652 126.3417 59.2882 29.6517 178.6354 86 Q 3.9379 8.0312 119.1815 59.4353 29.2229 178.0977 87 N 4.3156 8.0484 116.8426 56.2427 38.7359 177.5661 88 R 3.8148 7.7818 119.1990 59.2053 30.2055 178.7296 89 Q 3.9072 8.7019 119.8261 59.1352 28.6220 177.9921 90 F 3.9327 8.3537 121.6895 61.6399 39.3934 177.0351 91 M 3.0745 7.6929 117.6001 58.3645 31.5345 179.1696 92 R 4.0738 7.6255 115.8312 58.3136 30.2397 177.8886 93 A 4.4533 7.3751 118.5723 52.3094 19.0613 177.1238 94 H 4.6027 7.6748 113.5470 55.8047 31.5898 173.2295 95 G 4.2681 8.1312 104.2912 45.9383 0.0000 171.9398 96 T 4.9977 8.8989 116.7708 61.7847 71.7792 173.5930 97 V 5.0381 8.8601 125.0752 61.2161 34.3538 174.0726 98 V 5.0312 9.4062 127.8767 61.3598 34.3661 173.3145 99 Y 5.2428 9.2441 129.7188 56.3135 40.4747 174.5937 100 L 4.5766 8.7640 128.4434 53.6699 41.2868 176.0784 101 F 3.8588 8.4868 126.4041 57.5143 40.8974 173.9145 102 A 4.2918 6.2943 122.3583 50.2515 21.7123 174.6910 103 P 4.0906 0.0000 0.0000 61.9888 32.5901 177.3828 104 A 3.9009 8.7296 123.3631 55.4544 18.1682 179.4738 105 E 3.7898 8.2594 117.1816 59.8630 29.6070 178.7723 106 E 3.9569 8.0555 118.3252 59.2337 29.5396 178.5706 107 L 3.9600 7.9489 118.4392 57.5870 41.6987 179.0195 108 A 4.1919 8.5129 122.8794 55.5186 18.4586 179.7214 109 L 4.3194 8.0993 120.4393 58.7986 41.1188 179.7929 110 R 4.3978 7.5797 118.9859 55.8727 29.0119 175.6639 111 L 4.6748 8.2108 122.8998 56.9305 44.1757 178.6605 112 Q 4.1451 8.0869 119.2810 55.7353 27.6883 181.3254 *123 L 3.9413 7.8366 119.7694 55.9305 41.7026 179.6784 124 T 4.8192 7.0010 114.6121 59.2446 69.9847 175.8223 125 G 4.1508 8.8587 109.0966 47.3317 0.0000 175.0244 126 R 3.4356 8.7505 119.8462 55.8977 29.8992 173.1443 127 P 4.1628 0.0000 0.0000 64.1283 31.8252 176.6726 128 I 3.5482 8.5448 123.7099 64.1376 38.1335 177.0052 129 A 4.0515 8.1428 123.5077 55.9486 18.1595 179.9599 130 E 4.0167 8.4870 117.1319 60.7980 29.6240 180.9331 131 E 4.1149 8.0179 118.8050 59.8756 29.9328 178.7110 132 M 4.0787 8.1266 118.6801 58.1952 31.9323 178.4484 133 E 3.9192 8.2256 119.4997 59.1425 29.8321 178.8122 134 A 3.9844 7.8011 120.9935 55.0288 18.4073 179.3362 135 V 3.5061 8.1704 117.2044 66.5862 31.6243 178.1523 136 L 4.0957 8.1368 118.2661 57.9097 41.2583 179.6386 137 R 3.9525 7.8845 117.6897 59.4520 30.1129 177.9792 138 E 4.2134 8.1128 117.0352 58.5185 30.0856 178.3703 139 R 4.1144 8.2975 117.0816 56.9605 30.4466 177.9438 140 E 4.1634 8.1327 119.4352 59.6917 29.4484 178.7657 141 A 3.9962 7.9486 119.9021 54.9350 18.5735 179.5151 142 L 3.7657 7.5283 117.2247 58.0474 41.7653 179.0207 143 Y 3.9554 7.4526 116.5956 61.1490 37.4060 178.8216 144 Q 4.0918 7.9805 117.9309 58.9935 28.8662 178.1898 145 D 4.4655 8.1141 119.6401 57.2440 40.9407 178.7892 146 V 3.7331 7.4905 117.9463 63.0470 32.1328 176.8479 147 A 4.3635 7.4490 122.3071 52.4536 18.9249 176.7968 148 H 4.4751 9.0778 120.0868 57.7178 29.8663 175.7475 149 Y 4.9726 7.8926 114.1936 56.0399 42.0145 174.8302 150 V 5.1853 8.6513 122.1761 61.2282 34.6259 174.8636 151 V 4.5467 8.4723 125.5649 59.9216 35.8031 173.9669 152 D 4.9009 8.7376 121.9069 54.2210 41.5131 175.7802 153 A 4.5567 9.0254 128.4427 52.4261 18.6516 178.0297 154 T 4.0358 8.7910 107.4096 63.7111 69.4760 175.7041 155 Q 4.1775 7.2733 119.7230 54.8853 29.4757 174.9236 156 P 4.4575 0.0000 0.0000 61.8361 33.3148 176.0552 157 P 4.1963 0.0000 0.0000 65.8983 31.4737 179.0665 158 A 4.0127 7.9720 118.6149 54.7391 18.2084 179.3739 159 A 3.9859 7.8955 119.2842 55.0487 18.5956 179.6233 160 I 3.5897 7.7010 118.4093 64.5053 37.1743 178.5083 161 V 3.5343 8.0156 119.3197 66.4413 31.2907 177.6538 162 C 4.0310 7.8414 115.6713 62.8879 27.9641 175.8855 163 E 3.8944 8.3813 120.8430 59.3371 29.2772 178.9085 164 L 3.9752 8.3145 119.4641 57.9301 41.5469 179.3989 165 M 4.0045 8.3754 119.1720 58.2174 31.7230 178.5888 166 Q 3.8914 8.0330 119.8843 59.4940 29.1183 178.4506 167 T 3.8569 7.9942 109.1958 64.8555 68.9077 175.3151 168 M 3.6482 8.1553 119.7883 55.1035 32.6644 175.9953 169 R 3.7756 7.3583 117.2477 57.6176 28.0845 175.8000 170 L 4.8729 7.9378 116.0085 52.3297 44.9828 175.9454 171 P 4.3467 0.0000 0.0000 64.4894 32.0921 176.0946 172 A 4.1535 7.1160 126.9461 51.5524 18.3286 176.8895 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 4.54 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 2 T 8.41 5.25 4.20 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 1.17 0.00 0.00 3 E 8.98 4.44 0.00 1.96 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 2.27 2.31 0.00 4 P 0.00 4.29 0.00 1.42 1.80 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 5 I 8.32 4.72 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 1.00 0.00 0.00 6 F 9.54 5.26 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 M 9.51 5.08 0.00 2.01 2.14 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 2.71 2.79 0.00 8 V 10.13 4.91 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 0.88 0.00 0.00 1.22 0.00 0.00 9 G 8.42 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 0.00 0.00 0.00 10 A 7.56 4.36 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.41 3.95 0.00 1.81 1.93 0.00 3.18 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 12 G 9.03 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 0.00 0.00 0.00 13 C 7.83 3.90 0.00 3.15 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 14 G 7.92 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 0.00 0.00 0.00 15 K 8.05 4.23 0.00 1.93 2.00 0.00 2.04 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.59 7.81 16 T 8.24 4.17 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 1.34 0.00 0.00 17 T 7.80 3.72 4.34 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 1.18 0.00 0.00 18 V 8.08 3.68 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 1.09 0.00 0.00 0.92 0.00 0.00 19 G 8.22 3.76 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 0.00 0.00 0.00 20 R 7.59 3.38 0.00 1.48 1.70 0.00 2.90 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 21 E 7.97 3.89 0.00 1.94 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 2.42 2.41 0.00 22 L 8.17 3.88 0.00 1.74 1.81 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.17 4.05 1.58 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 0.00 0.00 24 R 8.25 3.76 0.00 1.83 2.11 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 25 A 8.05 3.97 1.26 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 0.00 0.00 26 L 7.62 4.04 0.00 1.11 0.29 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.56 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.02 5.18 0.00 2.77 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 29 E 8.92 4.36 0.00 2.09 2.13 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 2.32 2.35 0.00 30 F 8.81 5.50 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.89 4.22 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 0.57 0.00 0.00 0.71 0.00 0.00 32 D 8.10 5.15 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.71 3.98 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 1.20 0.00 0.00 34 D 8.48 4.52 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.98 3.70 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 0.84 0.00 0.00 36 F 8.56 4.07 0.00 3.15 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 37 M 8.53 4.05 0.00 2.13 2.45 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 38 Q 8.21 4.18 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 39 H 8.10 4.17 0.00 2.99 3.26 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.49 3.98 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 0.48 0.00 0.00 41 S 7.87 4.54 0.00 3.95 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 42 G 8.87 3.95 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 0.00 0.00 0.00 43 M 7.51 4.37 0.00 2.02 2.00 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 2.56 2.45 0.00 44 T 8.34 4.29 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 1.28 0.00 0.00 45 V 8.68 3.64 1.68 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 0.77 0.00 0.00 0.91 0.00 0.00 46 A 8.03 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.99 4.25 0.00 2.97 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 48 V 7.59 3.54 2.29 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 1.02 0.00 0.00 1.01 0.00 0.00 49 V 7.97 3.14 1.64 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 0.38 0.00 0.00 -0.63 0.00 0.00 50 A 7.46 3.99 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 51 A 7.49 4.18 1.25 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 52 E 8.07 4.42 0.00 1.96 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 2.16 2.34 0.00 53 G 8.82 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 0.00 0.00 0.00 54 W 8.44 4.33 0.00 3.48 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 55 P 0.00 4.45 0.00 2.20 2.17 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 56 G 8.06 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.24 4.07 0.00 3.11 3.55 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 0.00 0.00 0.00 0.00 58 R 8.58 3.92 0.00 2.10 2.02 0.00 3.46 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 2.07 1.94 0.00 59 R 7.66 3.90 0.00 1.97 1.95 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 60 R 7.99 4.06 0.00 1.81 1.88 0.00 3.25 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 61 E 8.06 3.77 0.00 1.64 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 0.00 2.22 2.21 0.00 62 S 7.90 4.16 0.00 4.02 3.91 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 63 E 7.81 3.82 0.00 2.18 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 2.28 2.25 0.00 64 A 7.97 3.99 1.47 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 65 L 7.62 3.80 0.00 1.77 1.60 0.96 0.68 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 66 Q 7.11 3.32 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.67 0.00 67 A 7.26 4.07 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 68 V 7.29 3.80 1.81 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 -0.21 0.00 0.00 0.87 0.00 0.00 69 A 7.23 4.35 1.72 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 0.00 0.00 70 T 7.37 4.72 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 1.19 0.00 0.00 71 P 0.00 4.78 0.00 1.96 2.04 0.00 3.83 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 72 N 8.16 3.14 0.00 2.54 2.07 0.00 0.00 6.40 7.66 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 73 R 6.84 5.08 0.00 1.84 1.72 0.00 3.07 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 74 V 9.05 4.69 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 1.17 0.00 0.00 1.10 0.00 0.00 75 V 8.65 4.47 1.90 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 1.00 0.00 0.00 0.64 0.00 0.00 76 A 9.00 4.99 1.49 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 77 T 7.81 5.24 4.34 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 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 138 E 8.11 4.21 0.00 1.98 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 2.51 2.48 0.00 139 R 8.30 4.11 0.00 2.00 1.56 0.00 3.19 0.00 0.00 3.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 140 E 8.13 4.16 0.00 2.51 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 141 A 7.95 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.53 3.77 0.00 1.40 1.41 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.45 3.96 0.00 2.49 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 0.00 144 Q 7.98 4.09 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 145 D 8.11 4.47 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.49 3.73 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 0.80 0.00 0.00 0.87 0.00 0.00 147 A 7.45 4.36 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 9.08 4.48 0.00 3.01 2.68 0.00 5.80 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 0.00 149 Y 7.89 4.97 0.00 2.95 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 0.00 150 V 8.65 5.19 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 0.78 0.00 0.00 1.20 0.00 0.00 151 V 8.47 4.55 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.97 0.00 0.00 152 D 8.74 4.90 0.00 2.85 2.63 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 0.00 153 A 9.03 4.56 1.16 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 0.00 0.00 154 T 8.79 4.04 4.23 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 1.18 0.00 0.00 155 Q 7.27 4.18 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 156 P 0.00 4.46 0.00 2.14 1.95 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 157 P 0.00 4.20 0.00 2.12 2.06 0.00 3.57 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 2.08 2.13 0.00 158 A 7.97 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.90 3.99 1.40 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 0.00 0.00 160 I 7.70 3.59 2.02 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 1.52 0.77 0.91 0.00 0.00 161 V 8.02 3.53 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 1.05 0.00 0.00 0.99 0.00 0.00 162 C 7.84 4.03 0.00 3.15 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 0.00 163 E 8.38 3.89 0.00 2.00 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 2.29 2.33 0.00 164 L 8.31 3.98 0.00 1.77 1.62 0.93 0.83 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 0.00 165 M 8.38 4.00 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.46 0.00 166 Q 8.03 3.89 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 167 T 7.99 3.86 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 1.21 0.00 0.00 168 M 8.16 3.65 0.00 1.74 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.09 0.00 169 R 7.36 3.78 0.00 1.88 1.95 0.00 3.11 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 170 L 7.94 4.87 0.00 1.50 1.46 0.89 1.32 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 0.00 171 P 0.00 4.35 0.00 2.11 2.04 0.00 3.48 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 172 A 7.12 4.15 1.25 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 * Residues marked with a * may have inaccurate shift predictions.