REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ge1_1_D DATA FIRST_RESID 2 DATA SEQUENCE EKYILSIDQG TTSSRAILFN QKGEIAGVAQ REFKQYFPQS GWVEHDANEI DATA SEQUENCE WTSVLAVXTE VINENDVRAD QIAGIGITNQ RETTVVWDKH TGRPIYHAIV DATA SEQUENCE WQSRQTQSIC SELKQQGYEQ TFRDKTGLLL DPYFAGTKVK WILDNVEGAR DATA SEQUENCE EKAENGDLLF GTIDTWLVWK LSGKAAHITD YSNASRTLXF NIHDLEWDDE DATA SEQUENCE LLELLTVPKN XLPEVKASSE VYGKTIDYHF YGQEVPIAGV AGDQQAALFG DATA SEQUENCE QACFERGDVK NTYGTGGFXL XNTGDKAVKS ESGLLTTIAY GIDGKVNYAL DATA SEQUENCE EGSIFVSGSA IQWLRDGLRX INSAPQSESY ATRVDSTEGV YVVPAFVGLG DATA SEQUENCE TPYWDSEARG AIFGLTRGTE KEHFIRATLE SLCYQTRDVX EAXSKDSGID DATA SEQUENCE VQSLRVDGGA VKNNFIXQFQ ADIVNTSVER PEIQETTALG AAFLAGLAVG DATA SEQUENCE FWESKDDIAK NWKLEEKFDP KXDEGEREKL YRGWKKAVEA TQVFKT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.516 176.600 -0.140 0.000 1.382 2 E CA 0.000 56.340 56.400 -0.100 0.000 0.976 2 E CB 0.000 29.627 29.700 -0.122 0.000 0.812 3 K N 1.829 122.136 120.400 -0.155 0.000 2.177 3 K HA 0.592 4.911 4.320 -0.002 0.000 0.238 3 K C -0.785 175.605 176.600 -0.350 0.000 1.015 3 K CA -0.384 55.856 56.287 -0.077 0.000 0.922 3 K CB 0.423 32.970 32.500 0.077 0.000 1.127 3 K HN 0.411 nan 8.250 nan 0.000 0.469 4 Y N -1.069 119.164 120.300 -0.112 0.000 2.655 4 Y HA 0.437 4.986 4.550 -0.001 0.000 0.336 4 Y C -0.457 175.120 175.900 -0.538 0.000 1.154 4 Y CA -1.111 56.855 58.100 -0.224 0.000 1.055 4 Y CB 1.512 39.945 38.460 -0.045 0.000 1.295 4 Y HN 0.146 nan 8.280 nan 0.000 0.465 5 I N 2.946 123.363 120.570 -0.254 0.000 2.410 5 I HA 0.232 4.401 4.170 -0.002 0.000 0.286 5 I C -1.088 175.092 176.117 0.105 0.000 1.009 5 I CA -0.623 60.541 61.300 -0.226 0.000 1.111 5 I CB 1.396 39.216 38.000 -0.299 0.000 1.262 5 I HN 0.391 nan 8.210 nan 0.000 0.443 6 L N 6.519 127.791 121.223 0.082 0.000 2.290 6 L HA 0.401 4.740 4.340 -0.002 0.000 0.284 6 L C 0.119 177.091 176.870 0.169 0.000 1.078 6 L CA 0.622 55.550 54.840 0.147 0.000 0.815 6 L CB 1.289 43.442 42.059 0.157 0.000 1.162 6 L HN 0.600 nan 8.230 nan 0.000 0.435 7 S N 5.342 121.184 115.700 0.237 0.000 2.482 7 S HA 0.722 5.191 4.470 -0.002 0.000 0.303 7 S C -0.597 174.113 174.600 0.184 0.000 1.091 7 S CA -0.633 57.709 58.200 0.237 0.000 1.057 7 S CB 0.654 64.081 63.200 0.378 0.000 1.031 7 S HN 0.548 nan 8.310 nan 0.000 0.485 8 I N 3.596 124.253 120.570 0.146 0.000 2.389 8 I HA 0.345 4.514 4.170 -0.002 0.000 0.288 8 I C -0.893 175.298 176.117 0.124 0.000 0.999 8 I CA -0.459 60.915 61.300 0.123 0.000 1.129 8 I CB 1.818 39.877 38.000 0.099 0.000 1.288 8 I HN 0.522 nan 8.210 nan 0.000 0.444 9 D N 6.489 126.968 120.400 0.132 0.000 2.458 9 D HA 0.055 4.694 4.640 -0.002 0.000 0.258 9 D C -0.389 175.997 176.300 0.142 0.000 1.134 9 D CA -0.390 53.691 54.000 0.136 0.000 0.915 9 D CB 0.831 41.722 40.800 0.152 0.000 1.028 9 D HN 0.258 nan 8.370 nan 0.000 0.508 10 Q N 2.613 122.493 119.800 0.134 0.000 2.381 10 Q HA 0.351 4.689 4.340 -0.002 0.000 0.243 10 Q C -0.006 176.117 176.000 0.205 0.000 1.154 10 Q CA -0.262 55.630 55.803 0.148 0.000 0.899 10 Q CB 0.542 29.346 28.738 0.110 0.000 1.396 10 Q HN 0.591 nan 8.270 nan 0.000 0.485 11 G N 2.019 110.974 108.800 0.259 0.000 2.535 11 G HA2 0.212 4.171 3.960 -0.002 0.000 0.303 11 G HA3 0.212 4.171 3.960 -0.002 0.000 0.303 11 G C 0.708 175.858 174.900 0.417 0.000 1.237 11 G CA -0.239 45.041 45.100 0.300 0.000 0.986 11 G HN 0.550 nan 8.290 nan 0.000 0.494 12 T N -0.468 114.356 114.554 0.449 0.000 2.867 12 T HA -0.104 4.245 4.350 -0.002 0.000 0.268 12 T C 2.369 177.180 174.700 0.186 0.000 1.057 12 T CA 2.064 64.479 62.100 0.525 0.000 1.136 12 T CB -0.184 69.098 68.868 0.690 0.000 0.874 12 T HN 0.718 nan 8.240 nan 0.000 0.466 13 T N -1.352 113.221 114.554 0.033 0.000 3.003 13 T HA 0.390 4.739 4.350 -0.002 0.000 0.261 13 T C 0.483 174.928 174.700 -0.425 0.000 1.003 13 T CA 0.113 62.031 62.100 -0.302 0.000 0.917 13 T CB 0.225 69.052 68.868 -0.068 0.000 1.084 13 T HN 0.376 nan 8.240 nan 0.000 0.522 14 S N -0.318 115.361 115.700 -0.036 0.000 2.587 14 S HA 0.675 5.144 4.470 -0.002 0.000 0.269 14 S C -1.281 173.546 174.600 0.379 0.000 1.154 14 S CA -0.772 57.536 58.200 0.180 0.000 0.824 14 S CB 1.610 64.865 63.200 0.091 0.000 1.118 14 S HN 0.121 nan 8.310 nan 0.000 0.462 15 S N 0.459 116.353 115.700 0.323 0.000 2.593 15 S HA 0.794 5.263 4.470 -0.002 0.000 0.297 15 S C -0.607 174.075 174.600 0.138 0.000 1.112 15 S CA -0.900 57.420 58.200 0.200 0.000 1.043 15 S CB 0.960 64.228 63.200 0.112 0.000 1.054 15 S HN 0.677 nan 8.310 nan 0.000 0.516 16 R N 0.602 121.173 120.500 0.119 0.000 2.604 16 R HA 0.691 5.030 4.340 -0.002 0.000 0.281 16 R C -1.453 174.904 176.300 0.095 0.000 1.020 16 R CA -0.670 55.491 56.100 0.101 0.000 0.899 16 R CB 1.988 32.357 30.300 0.115 0.000 1.205 16 R HN 0.638 nan 8.270 nan 0.000 0.450 17 A N 3.992 126.856 122.820 0.073 0.000 2.330 17 A HA 0.741 5.059 4.320 -0.002 0.000 0.313 17 A C -0.648 176.966 177.584 0.050 0.000 1.124 17 A CA -0.633 51.448 52.037 0.074 0.000 0.774 17 A CB 0.713 19.747 19.000 0.057 0.000 1.198 17 A HN 0.645 nan 8.150 nan 0.000 0.465 18 I N 2.870 123.484 120.570 0.073 0.000 2.533 18 I HA 0.315 4.484 4.170 -0.002 0.000 0.290 18 I C -0.875 175.220 176.117 -0.037 0.000 1.056 18 I CA -0.451 60.834 61.300 -0.026 0.000 1.057 18 I CB 2.043 40.022 38.000 -0.035 0.000 1.240 18 I HN 0.493 nan 8.210 nan 0.000 0.423 19 L N 5.608 126.731 121.223 -0.166 0.000 2.289 19 L HA 0.494 4.833 4.340 -0.002 0.000 0.285 19 L C -1.119 175.652 176.870 -0.165 0.000 1.049 19 L CA -0.335 54.458 54.840 -0.078 0.000 0.804 19 L CB 0.908 42.874 42.059 -0.155 0.000 1.195 19 L HN 0.385 nan 8.230 nan 0.000 0.428 20 F N 1.996 122.097 119.950 0.252 0.000 2.493 20 F HA 0.313 4.839 4.527 -0.001 0.000 0.329 20 F C 0.474 176.540 175.800 0.443 0.000 1.126 20 F CA -1.015 57.200 58.000 0.359 0.000 0.937 20 F CB 1.404 40.667 39.000 0.438 0.000 1.146 20 F HN 0.525 nan 8.300 nan 0.000 0.442 21 N N 1.304 120.362 118.700 0.598 0.000 2.364 21 N HA 0.074 4.813 4.740 -0.002 0.000 0.264 21 N C 0.966 176.793 175.510 0.529 0.000 1.263 21 N CA -0.426 52.876 53.050 0.420 0.000 0.959 21 N CB 0.326 38.973 38.487 0.266 0.000 1.204 21 N HN 0.598 nan 8.380 nan 0.000 0.550 22 Q N 0.077 120.029 119.800 0.253 0.000 2.112 22 Q HA -0.165 4.174 4.340 -0.002 0.000 0.206 22 Q C 0.962 177.151 176.000 0.315 0.000 0.987 22 Q CA 2.057 57.843 55.803 -0.029 0.000 0.858 22 Q CB -0.239 28.344 28.738 -0.259 0.000 0.905 22 Q HN 0.715 nan 8.270 nan 0.000 0.420 23 K N -0.983 119.581 120.400 0.274 0.000 2.504 23 K HA 0.094 4.412 4.320 -0.002 0.000 0.195 23 K C 0.688 177.503 176.600 0.359 0.000 1.036 23 K CA 0.532 56.982 56.287 0.271 0.000 0.984 23 K CB -0.133 32.476 32.500 0.182 0.000 0.788 23 K HN 0.456 nan 8.250 nan 0.000 0.488 24 G N 2.171 111.290 108.800 0.532 0.000 2.182 24 G HA2 -0.257 3.701 3.960 -0.002 0.000 0.248 24 G HA3 -0.257 3.701 3.960 -0.002 0.000 0.248 24 G C -0.586 174.634 174.900 0.532 0.000 1.042 24 G CA -0.041 45.398 45.100 0.566 0.000 0.775 24 G HN 0.383 nan 8.290 nan 0.000 0.501 25 E N -0.982 119.497 120.200 0.465 0.000 2.222 25 E HA 0.599 4.948 4.350 -0.002 0.000 0.267 25 E C 0.456 177.182 176.600 0.209 0.000 0.963 25 E CA -1.135 55.451 56.400 0.309 0.000 0.837 25 E CB 1.557 31.379 29.700 0.204 0.000 1.183 25 E HN 0.269 nan 8.360 nan 0.000 0.403 26 I N 2.257 122.833 120.570 0.011 0.000 2.421 26 I HA 0.021 4.190 4.170 -0.002 0.000 0.291 26 I C 0.918 176.977 176.117 -0.097 0.000 1.089 26 I CA 0.185 61.340 61.300 -0.243 0.000 1.354 26 I CB 0.863 38.733 38.000 -0.216 0.000 1.413 26 I HN 0.680 nan 8.210 nan 0.000 0.513 27 A N 5.344 128.109 122.820 -0.092 0.000 2.123 27 A HA 0.455 4.774 4.320 -0.002 0.000 0.214 27 A C 1.016 178.530 177.584 -0.117 0.000 1.152 27 A CA 0.799 52.815 52.037 -0.034 0.000 0.728 27 A CB -0.003 18.990 19.000 -0.011 0.000 0.814 27 A HN 0.831 nan 8.150 nan 0.000 0.464 28 G N -2.414 106.296 108.800 -0.151 0.000 2.411 28 G HA2 0.484 4.443 3.960 -0.002 0.000 0.295 28 G HA3 0.484 4.443 3.960 -0.002 0.000 0.295 28 G C -1.822 173.004 174.900 -0.123 0.000 1.542 28 G CA -0.121 44.902 45.100 -0.128 0.000 0.814 28 G HN 0.542 nan 8.290 nan 0.000 0.557 29 V N -0.265 119.601 119.914 -0.079 0.000 2.851 29 V HA 0.869 4.988 4.120 -0.002 0.000 0.307 29 V C -0.093 175.985 176.094 -0.026 0.000 1.129 29 V CA -0.193 62.078 62.300 -0.049 0.000 0.932 29 V CB 1.655 33.458 31.823 -0.034 0.000 1.024 29 V HN 1.899 nan 8.190 nan 0.000 0.426 30 A N 3.841 126.657 122.820 -0.006 0.000 2.398 30 A HA 0.897 5.215 4.320 -0.002 0.000 0.301 30 A C -1.043 176.556 177.584 0.026 0.000 1.041 30 A CA -0.552 51.486 52.037 0.002 0.000 0.711 30 A CB 2.042 21.038 19.000 -0.008 0.000 1.240 30 A HN 0.814 nan 8.150 nan 0.000 0.420 31 Q N 1.343 121.161 119.800 0.030 0.000 2.331 31 Q HA 0.683 5.022 4.340 -0.002 0.000 0.272 31 Q C -1.493 174.537 176.000 0.050 0.000 1.062 31 Q CA -0.820 55.013 55.803 0.050 0.000 0.806 31 Q CB 1.685 30.456 28.738 0.054 0.000 1.312 31 Q HN 0.628 nan 8.270 nan 0.000 0.431 32 R N 2.213 122.757 120.500 0.075 0.000 2.574 32 R HA 0.371 4.710 4.340 -0.002 0.000 0.288 32 R C -1.179 175.199 176.300 0.131 0.000 1.004 32 R CA -0.481 55.668 56.100 0.081 0.000 0.895 32 R CB 1.905 32.249 30.300 0.074 0.000 1.191 32 R HN 0.788 nan 8.270 nan 0.000 0.444 33 E N 2.906 123.155 120.200 0.081 0.000 2.318 33 E HA 0.420 4.769 4.350 -0.002 0.000 0.265 33 E C -0.348 176.319 176.600 0.111 0.000 1.069 33 E CA -0.406 56.011 56.400 0.027 0.000 0.893 33 E CB 1.029 30.691 29.700 -0.063 0.000 1.076 33 E HN 0.370 nan 8.360 nan 0.000 0.414 34 F N -1.509 118.409 119.950 -0.052 0.000 2.620 34 F HA 0.520 5.046 4.527 -0.002 0.000 0.320 34 F C -0.182 175.549 175.800 -0.115 0.000 1.069 34 F CA -1.572 56.384 58.000 -0.073 0.000 0.953 34 F CB 0.815 39.771 39.000 -0.075 0.000 1.322 34 F HN 0.124 nan 8.300 nan 0.000 0.479 35 K N 1.104 121.487 120.400 -0.029 0.000 2.414 35 K HA 0.165 4.483 4.320 -0.002 0.000 0.272 35 K C -0.811 175.577 176.600 -0.354 0.000 0.993 35 K CA -0.242 55.874 56.287 -0.285 0.000 0.964 35 K CB 0.525 32.768 32.500 -0.429 0.000 0.925 35 K HN 0.649 nan 8.250 nan 0.000 0.487 36 Q N 3.111 122.603 119.800 -0.513 0.000 2.333 36 Q HA 0.231 4.570 4.340 -0.002 0.000 0.267 36 Q C -1.330 174.072 176.000 -0.997 0.000 1.012 36 Q CA -0.515 54.974 55.803 -0.523 0.000 0.824 36 Q CB 1.452 29.941 28.738 -0.415 0.000 1.290 36 Q HN 0.495 nan 8.270 nan 0.000 0.449 37 Y N 1.103 121.001 120.300 -0.671 0.000 2.341 37 Y HA 0.410 4.959 4.550 -0.002 0.000 0.337 37 Y C -0.029 175.484 175.900 -0.646 0.000 1.014 37 Y CA -0.715 57.038 58.100 -0.578 0.000 1.111 37 Y CB 1.088 39.391 38.460 -0.262 0.000 1.194 37 Y HN 0.457 nan 8.280 nan 0.000 0.462 38 F N 3.754 123.792 119.950 0.147 0.000 2.542 38 F HA 0.306 4.832 4.527 -0.002 0.000 0.323 38 F C -1.582 174.266 175.800 0.079 0.000 1.411 38 F CA -1.714 56.346 58.000 0.100 0.000 1.124 38 F CB 0.519 39.539 39.000 0.034 0.000 1.331 38 F HN 0.439 nan 8.300 nan 0.000 0.560 39 P HA -0.182 nan 4.420 nan 0.000 0.216 39 P C -0.277 176.931 177.300 -0.154 0.000 1.154 39 P CA 1.641 64.762 63.100 0.035 0.000 0.865 39 P CB 0.349 32.075 31.700 0.043 0.000 0.789 40 Q N -1.871 117.763 119.800 -0.277 0.000 2.418 40 Q HA 0.383 4.722 4.340 -0.002 0.000 0.282 40 Q C -0.686 175.236 176.000 -0.130 0.000 1.044 40 Q CA -0.744 54.814 55.803 -0.409 0.000 0.813 40 Q CB 1.895 30.027 28.738 -1.010 0.000 1.428 40 Q HN -0.237 nan 8.270 nan 0.000 0.402 41 S N 0.581 116.256 115.700 -0.043 0.000 2.626 41 S HA 0.175 4.644 4.470 -0.002 0.000 0.303 41 S C 1.135 175.842 174.600 0.179 0.000 1.256 41 S CA 1.382 59.614 58.200 0.054 0.000 1.069 41 S CB -0.002 63.224 63.200 0.044 0.000 0.807 41 S HN 0.966 nan 8.310 nan 0.000 0.500 42 G N 2.793 111.683 108.800 0.150 0.000 2.336 42 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.233 42 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.233 42 G C -0.092 174.937 174.900 0.214 0.000 1.053 42 G CA -0.127 45.067 45.100 0.157 0.000 0.625 42 G HN 0.598 nan 8.290 nan 0.000 0.511 43 W N 0.661 121.957 121.300 -0.007 0.000 2.170 43 W HA 0.577 5.236 4.660 -0.002 0.000 0.336 43 W C 0.308 176.870 176.519 0.072 0.000 1.283 43 W CA -0.236 57.107 57.345 -0.004 0.000 1.224 43 W CB 0.924 30.400 29.460 0.027 0.000 1.132 43 W HN 0.296 nan 8.180 nan 0.000 0.571 44 V N 2.742 122.755 119.914 0.164 0.000 2.711 44 V HA 0.381 4.500 4.120 -0.002 0.000 0.304 44 V C -0.581 175.452 176.094 -0.103 0.000 1.097 44 V CA -1.307 61.052 62.300 0.099 0.000 0.906 44 V CB 1.747 33.563 31.823 -0.011 0.000 1.015 44 V HN 0.517 nan 8.190 nan 0.000 0.427 45 E N 2.186 122.303 120.200 -0.139 0.000 2.390 45 E HA 0.614 4.963 4.350 -0.002 0.000 0.277 45 E C -1.510 174.964 176.600 -0.211 0.000 0.939 45 E CA -0.930 55.348 56.400 -0.203 0.000 0.769 45 E CB 2.972 32.624 29.700 -0.079 0.000 1.251 45 E HN 0.822 nan 8.360 nan 0.000 0.450 46 H N -0.254 118.785 119.070 -0.052 0.000 2.754 46 H HA 0.330 4.885 4.556 -0.002 0.000 0.352 46 H C -1.058 174.144 175.328 -0.210 0.000 1.213 46 H CA -0.985 55.078 56.048 0.026 0.000 1.244 46 H CB 1.517 31.385 29.762 0.178 0.000 1.843 46 H HN 0.312 nan 8.280 nan 0.000 0.587 47 D N 0.267 120.736 120.400 0.115 0.000 2.472 47 D HA 0.244 4.883 4.640 -0.002 0.000 0.234 47 D C 0.799 177.152 176.300 0.088 0.000 1.088 47 D CA -0.289 53.755 54.000 0.073 0.000 0.882 47 D CB 0.889 41.799 40.800 0.183 0.000 1.037 47 D HN 0.657 nan 8.370 nan 0.000 0.520 48 A N 4.486 127.307 122.820 0.001 0.000 1.985 48 A HA -0.314 4.005 4.320 -0.002 0.000 0.223 48 A C 1.890 179.616 177.584 0.236 0.000 1.189 48 A CA 1.601 53.574 52.037 -0.106 0.000 0.658 48 A CB -0.385 18.265 19.000 -0.583 0.000 0.820 48 A HN 0.623 nan 8.150 nan 0.000 0.464 49 N N -0.811 118.031 118.700 0.236 0.000 2.270 49 N HA -0.108 4.631 4.740 -0.002 0.000 0.181 49 N C 1.700 177.374 175.510 0.273 0.000 1.016 49 N CA 1.347 54.609 53.050 0.353 0.000 0.870 49 N CB -0.353 38.294 38.487 0.266 0.000 0.979 49 N HN 0.803 nan 8.380 nan 0.000 0.431 50 E N 0.671 120.975 120.200 0.174 0.000 2.152 50 E HA -0.001 4.347 4.350 -0.002 0.000 0.192 50 E C 1.870 178.460 176.600 -0.016 0.000 0.983 50 E CA 0.325 56.787 56.400 0.103 0.000 0.818 50 E CB 0.116 29.899 29.700 0.139 0.000 0.758 50 E HN 0.267 nan 8.360 nan 0.000 0.467 51 I N 0.577 121.101 120.570 -0.077 0.000 2.202 51 I HA -0.251 3.918 4.170 -0.002 0.000 0.242 51 I C 2.416 178.549 176.117 0.026 0.000 1.091 51 I CA 1.061 62.203 61.300 -0.263 0.000 1.368 51 I CB -0.580 37.288 38.000 -0.220 0.000 1.058 51 I HN 0.451 nan 8.210 nan 0.000 0.410 52 W N 2.485 123.805 121.300 0.034 0.000 2.333 52 W HA -0.328 4.332 4.660 -0.001 0.000 0.316 52 W C 2.714 179.188 176.519 -0.075 0.000 1.215 52 W CA 2.229 59.539 57.345 -0.057 0.000 1.278 52 W CB -0.293 29.135 29.460 -0.053 0.000 1.154 52 W HN 0.272 nan 8.180 nan 0.000 0.486 53 T N -1.148 113.298 114.554 -0.179 0.000 2.849 53 T HA -0.240 4.108 4.350 -0.002 0.000 0.270 53 T C 2.004 176.561 174.700 -0.238 0.000 1.066 53 T CA 2.131 64.044 62.100 -0.312 0.000 1.130 53 T CB -0.905 67.902 68.868 -0.101 0.000 0.864 53 T HN 0.286 nan 8.240 nan 0.000 0.481 54 S N 1.090 116.701 115.700 -0.148 0.000 2.371 54 S HA -0.013 4.456 4.470 -0.002 0.000 0.224 54 S C 2.062 176.595 174.600 -0.111 0.000 1.029 54 S CA 0.857 59.003 58.200 -0.090 0.000 0.978 54 S CB -0.952 62.221 63.200 -0.046 0.000 0.833 54 S HN 0.369 nan 8.310 nan 0.000 0.466 55 V N 1.537 121.365 119.914 -0.142 0.000 2.490 55 V HA -0.040 4.079 4.120 -0.002 0.000 0.250 55 V C 2.442 178.408 176.094 -0.213 0.000 1.061 55 V CA 1.420 63.653 62.300 -0.112 0.000 1.064 55 V CB -0.810 30.991 31.823 -0.037 0.000 0.670 55 V HN 0.387 nan 8.190 nan 0.000 0.461 56 L N 0.035 120.995 121.223 -0.438 0.000 2.313 56 L HA 0.126 4.464 4.340 -0.002 0.000 0.214 56 L C 2.326 179.054 176.870 -0.237 0.000 1.119 56 L CA 1.785 56.322 54.840 -0.507 0.000 0.809 56 L CB -0.680 40.843 42.059 -0.893 0.000 0.933 56 L HN 0.234 nan 8.230 nan 0.000 0.449 57 A N -0.887 121.827 122.820 -0.177 0.000 1.874 57 A HA 0.080 4.399 4.320 -0.002 0.000 0.214 57 A C 1.272 178.832 177.584 -0.041 0.000 1.189 57 A CA 0.923 52.907 52.037 -0.088 0.000 0.615 57 A CB -1.016 17.944 19.000 -0.067 0.000 0.830 57 A HN 0.201 nan 8.150 nan 0.000 0.443 61 E N 1.025 121.198 120.200 -0.046 0.000 2.028 61 E HA -0.046 4.303 4.350 -0.002 0.000 0.191 61 E C 2.132 178.684 176.600 -0.080 0.000 0.988 61 E CA 1.358 57.723 56.400 -0.058 0.000 0.799 61 E CB -0.007 29.673 29.700 -0.034 0.000 0.755 61 E HN 0.190 nan 8.360 nan 0.000 0.447 62 V N 1.084 120.957 119.914 -0.068 0.000 2.469 62 V HA -0.233 3.886 4.120 -0.002 0.000 0.251 62 V C 1.964 177.975 176.094 -0.138 0.000 1.064 62 V CA 1.501 63.749 62.300 -0.085 0.000 1.066 62 V CB -0.265 31.525 31.823 -0.056 0.000 0.667 62 V HN 0.300 nan 8.190 nan 0.000 0.461 63 I N 0.154 120.618 120.570 -0.178 0.000 2.286 63 I HA -0.170 3.999 4.170 -0.002 0.000 0.245 63 I C 2.216 178.183 176.117 -0.250 0.000 1.104 63 I CA 1.899 63.038 61.300 -0.267 0.000 1.397 63 I CB -0.460 37.263 38.000 -0.462 0.000 1.072 63 I HN 0.380 nan 8.210 nan 0.000 0.417 64 N N 0.834 119.401 118.700 -0.221 0.000 2.092 64 N HA -0.150 4.589 4.740 -0.002 0.000 0.189 64 N C 1.688 177.122 175.510 -0.127 0.000 1.040 64 N CA 0.966 53.912 53.050 -0.173 0.000 0.845 64 N CB -0.177 38.222 38.487 -0.147 0.000 1.017 64 N HN 0.111 nan 8.380 nan 0.000 0.426 65 E N 0.252 120.388 120.200 -0.106 0.000 2.401 65 E HA -0.009 4.340 4.350 -0.002 0.000 0.199 65 E C 0.063 176.610 176.600 -0.088 0.000 1.023 65 E CA 0.702 57.052 56.400 -0.083 0.000 0.859 65 E CB -0.063 29.597 29.700 -0.067 0.000 0.780 65 E HN 0.329 nan 8.360 nan 0.000 0.523 66 N N 0.824 119.454 118.700 -0.116 0.000 2.275 66 N HA -0.019 4.720 4.740 -0.002 0.000 0.236 66 N C -0.807 174.622 175.510 -0.135 0.000 1.154 66 N CA 0.026 53.002 53.050 -0.124 0.000 0.866 66 N CB 0.574 38.968 38.487 -0.156 0.000 1.093 66 N HN -0.023 nan 8.380 nan 0.000 0.515 67 D N 1.128 121.456 120.400 -0.119 0.000 2.980 67 D HA -0.185 4.454 4.640 -0.002 0.000 0.218 67 D C -1.208 175.019 176.300 -0.121 0.000 1.225 67 D CA 0.678 54.617 54.000 -0.103 0.000 0.804 67 D CB -0.632 40.130 40.800 -0.063 0.000 0.906 67 D HN -0.044 nan 8.370 nan 0.000 0.396 68 V N 4.229 124.046 119.914 -0.162 0.000 2.752 68 V HA 0.337 4.456 4.120 -0.002 0.000 0.302 68 V C 0.719 176.721 176.094 -0.152 0.000 1.133 68 V CA -0.978 61.217 62.300 -0.175 0.000 0.919 68 V CB 1.962 33.562 31.823 -0.373 0.000 1.026 68 V HN 0.240 nan 8.190 nan 0.000 0.429 69 R N 1.958 122.412 120.500 -0.076 0.000 2.738 69 R HA 0.417 4.756 4.340 -0.002 0.000 0.268 69 R C 1.427 177.687 176.300 -0.067 0.000 1.062 69 R CA 0.403 56.455 56.100 -0.079 0.000 1.158 69 R CB 0.803 31.093 30.300 -0.016 0.000 1.046 69 R HN 0.914 nan 8.270 nan 0.000 0.493 70 A N 1.760 124.518 122.820 -0.105 0.000 2.015 70 A HA -0.153 4.166 4.320 -0.002 0.000 0.219 70 A C 1.118 178.828 177.584 0.210 0.000 1.163 70 A CA 1.622 53.655 52.037 -0.006 0.000 0.646 70 A CB -0.312 18.633 19.000 -0.091 0.000 0.806 70 A HN 0.843 nan 8.150 nan 0.000 0.448 71 D N -0.545 119.930 120.400 0.124 0.000 2.324 71 D HA -0.040 4.599 4.640 -0.002 0.000 0.235 71 D C 1.035 177.400 176.300 0.108 0.000 1.095 71 D CA 0.357 54.430 54.000 0.123 0.000 0.871 71 D CB -0.372 40.477 40.800 0.081 0.000 0.906 71 D HN 0.579 nan 8.370 nan 0.000 0.522 72 Q N -0.181 119.698 119.800 0.131 0.000 2.219 72 Q HA 0.193 4.532 4.340 -0.002 0.000 0.209 72 Q C -0.145 175.960 176.000 0.175 0.000 0.854 72 Q CA -0.309 55.590 55.803 0.161 0.000 0.960 72 Q CB 1.124 30.006 28.738 0.240 0.000 1.116 72 Q HN 0.279 nan 8.270 nan 0.000 0.500 73 I N 1.171 121.831 120.570 0.150 0.000 2.291 73 I HA 0.172 4.341 4.170 -0.002 0.000 0.290 73 I C 1.051 177.153 176.117 -0.025 0.000 1.050 73 I CA -0.216 61.137 61.300 0.089 0.000 1.245 73 I CB 0.612 38.725 38.000 0.188 0.000 1.405 73 I HN 0.042 nan 8.210 nan 0.000 0.478 74 A N 5.054 127.795 122.820 -0.132 0.000 2.066 74 A HA 0.396 4.715 4.320 -0.002 0.000 0.218 74 A C 1.105 178.587 177.584 -0.169 0.000 1.157 74 A CA 1.099 53.044 52.037 -0.153 0.000 0.670 74 A CB -0.086 18.786 19.000 -0.214 0.000 0.804 74 A HN 0.824 nan 8.150 nan 0.000 0.453 75 G N -1.899 106.779 108.800 -0.202 0.000 2.489 75 G HA2 0.490 4.449 3.960 -0.002 0.000 0.291 75 G HA3 0.490 4.449 3.960 -0.002 0.000 0.291 75 G C -1.398 173.421 174.900 -0.135 0.000 1.487 75 G CA -0.686 44.315 45.100 -0.165 0.000 0.795 75 G HN 0.153 nan 8.290 nan 0.000 0.513 76 I N 0.398 120.906 120.570 -0.104 0.000 2.509 76 I HA 0.649 4.818 4.170 -0.002 0.000 0.293 76 I C 0.506 176.630 176.117 0.011 0.000 1.020 76 I CA -0.906 60.362 61.300 -0.053 0.000 1.088 76 I CB 2.475 40.409 38.000 -0.110 0.000 1.267 76 I HN 0.686 nan 8.210 nan 0.000 0.430 77 G N 6.407 115.240 108.800 0.055 0.000 2.461 77 G HA2 0.779 4.738 3.960 -0.002 0.000 0.323 77 G HA3 0.779 4.738 3.960 -0.002 0.000 0.323 77 G C -0.991 173.957 174.900 0.079 0.000 1.229 77 G CA -0.419 44.728 45.100 0.079 0.000 0.941 77 G HN 0.467 nan 8.290 nan 0.000 0.477 78 I N 1.540 122.148 120.570 0.063 0.000 2.410 78 I HA 0.368 4.537 4.170 -0.002 0.000 0.286 78 I C -0.094 176.048 176.117 0.041 0.000 1.009 78 I CA -0.529 60.801 61.300 0.050 0.000 1.111 78 I CB 2.369 40.381 38.000 0.020 0.000 1.262 78 I HN 0.430 nan 8.210 nan 0.000 0.443 79 T N 5.840 120.431 114.554 0.062 0.000 2.887 79 T HA 0.623 4.972 4.350 -0.002 0.000 0.288 79 T C -1.002 173.740 174.700 0.069 0.000 1.021 79 T CA -0.572 61.561 62.100 0.054 0.000 1.000 79 T CB 1.239 70.146 68.868 0.065 0.000 1.034 79 T HN 0.819 nan 8.240 nan 0.000 0.467 80 N N 1.937 120.673 118.700 0.060 0.000 2.825 80 N HA 0.226 4.965 4.740 -0.002 0.000 0.253 80 N C -1.381 174.178 175.510 0.083 0.000 1.426 80 N CA -0.899 52.204 53.050 0.089 0.000 0.851 80 N CB 1.105 39.647 38.487 0.092 0.000 1.470 80 N HN 0.786 nan 8.380 nan 0.000 0.517 81 Q N 0.510 120.403 119.800 0.155 0.000 2.274 81 Q HA 0.259 4.598 4.340 -0.002 0.000 0.280 81 Q C -0.344 175.734 176.000 0.131 0.000 1.047 81 Q CA -0.005 55.906 55.803 0.180 0.000 0.907 81 Q CB 0.827 29.836 28.738 0.452 0.000 1.171 81 Q HN 0.354 nan 8.270 nan 0.000 0.381 82 R N 1.974 122.455 120.500 -0.032 0.000 2.649 82 R HA 0.064 4.403 4.340 -0.002 0.000 0.270 82 R C 0.136 176.510 176.300 0.123 0.000 1.105 82 R CA -0.194 55.906 56.100 0.000 0.000 1.193 82 R CB 0.344 30.580 30.300 -0.106 0.000 1.120 82 R HN 0.892 nan 8.270 nan 0.000 0.561 83 E N -1.527 118.754 120.200 0.136 0.000 5.235 83 E HA -0.256 4.093 4.350 -0.002 0.000 0.181 83 E C -0.351 176.407 176.600 0.265 0.000 1.139 83 E CA 2.254 58.773 56.400 0.197 0.000 1.955 83 E CB -1.512 28.255 29.700 0.112 0.000 1.828 83 E HN 0.669 nan 8.360 nan 0.000 0.385 84 T N 2.620 117.372 114.554 0.330 0.000 2.750 84 T HA 0.099 4.448 4.350 -0.002 0.000 0.277 84 T C 0.138 174.955 174.700 0.196 0.000 0.996 84 T CA 1.054 63.322 62.100 0.281 0.000 1.195 84 T CB 0.181 69.260 68.868 0.352 0.000 0.963 84 T HN 0.149 nan 8.240 nan 0.000 0.516 85 T N 3.717 118.378 114.554 0.178 0.000 2.909 85 T HA 0.561 4.910 4.350 -0.002 0.000 0.286 85 T C -0.012 174.749 174.700 0.102 0.000 1.002 85 T CA -0.624 61.589 62.100 0.188 0.000 1.074 85 T CB 1.146 70.194 68.868 0.300 0.000 0.984 85 T HN 0.352 nan 8.240 nan 0.000 0.495 86 V N 2.529 122.475 119.914 0.053 0.000 2.733 86 V HA 0.514 4.633 4.120 -0.002 0.000 0.306 86 V C -0.843 175.335 176.094 0.139 0.000 1.084 86 V CA -0.792 61.520 62.300 0.020 0.000 0.905 86 V CB 2.272 33.968 31.823 -0.211 0.000 1.010 86 V HN 0.684 nan 8.190 nan 0.000 0.424 87 V N 4.492 124.483 119.914 0.128 0.000 2.443 87 V HA 0.597 4.716 4.120 -0.002 0.000 0.293 87 V C -0.792 175.343 176.094 0.068 0.000 1.021 87 V CA -0.492 61.822 62.300 0.024 0.000 0.848 87 V CB 1.445 33.291 31.823 0.038 0.000 0.998 87 V HN 1.015 nan 8.190 nan 0.000 0.424 88 W N 2.583 123.771 121.300 -0.187 0.000 2.967 88 W HA 0.800 5.459 4.660 -0.001 0.000 0.342 88 W C -0.728 175.720 176.519 -0.119 0.000 1.162 88 W CA -1.148 56.101 57.345 -0.160 0.000 1.085 88 W CB 0.689 30.038 29.460 -0.186 0.000 1.460 88 W HN 0.459 nan 8.180 nan 0.000 0.584 89 D N 1.639 122.150 120.400 0.185 0.000 2.317 89 D HA 0.048 4.687 4.640 -0.002 0.000 0.252 89 D C 1.268 177.683 176.300 0.191 0.000 1.174 89 D CA 0.002 54.077 54.000 0.125 0.000 0.866 89 D CB 1.565 42.481 40.800 0.193 0.000 1.127 89 D HN 0.569 nan 8.370 nan 0.000 0.467 90 K N 3.026 123.432 120.400 0.009 0.000 2.034 90 K HA -0.290 4.029 4.320 -0.002 0.000 0.214 90 K C 0.996 177.734 176.600 0.229 0.000 1.051 90 K CA 1.673 57.971 56.287 0.019 0.000 0.931 90 K CB -0.039 32.346 32.500 -0.190 0.000 0.715 90 K HN 0.597 nan 8.250 nan 0.000 0.446 91 H N -0.753 118.456 119.070 0.231 0.000 2.268 91 H HA -0.053 4.502 4.556 -0.002 0.000 0.304 91 H C 2.273 177.745 175.328 0.239 0.000 1.064 91 H CA 2.141 58.316 56.048 0.212 0.000 1.316 91 H CB -0.656 29.181 29.762 0.126 0.000 1.386 91 H HN 0.439 nan 8.280 nan 0.000 0.496 92 T N -1.990 112.775 114.554 0.352 0.000 3.072 92 T HA 0.050 4.399 4.350 -0.002 0.000 0.266 92 T C 1.759 176.653 174.700 0.323 0.000 1.127 92 T CA 0.619 62.883 62.100 0.273 0.000 1.107 92 T CB -0.669 68.325 68.868 0.210 0.000 0.910 92 T HN 0.658 nan 8.240 nan 0.000 0.513 93 G N 1.824 110.905 108.800 0.470 0.000 2.273 93 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.280 93 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.280 93 G C -0.078 175.101 174.900 0.465 0.000 1.047 93 G CA -0.055 45.414 45.100 0.616 0.000 0.869 93 G HN 0.695 nan 8.290 nan 0.000 0.502 94 R N -0.065 120.673 120.500 0.396 0.000 2.686 94 R HA 0.433 4.772 4.340 -0.002 0.000 0.286 94 R C -2.703 173.750 176.300 0.255 0.000 0.969 94 R CA -2.033 54.249 56.100 0.304 0.000 0.898 94 R CB 2.469 32.901 30.300 0.220 0.000 1.183 94 R HN 0.074 nan 8.270 nan 0.000 0.456 95 P HA 0.067 nan 4.420 nan 0.000 0.271 95 P C 0.858 178.216 177.300 0.097 0.000 1.216 95 P CA 0.042 63.175 63.100 0.055 0.000 0.771 95 P CB 0.454 32.070 31.700 -0.140 0.000 0.864 96 I N 0.117 120.757 120.570 0.118 0.000 3.564 96 I HA 0.217 4.386 4.170 -0.002 0.000 0.294 96 I C -0.147 176.089 176.117 0.199 0.000 1.289 96 I CA 0.452 61.827 61.300 0.124 0.000 1.325 96 I CB -0.358 37.699 38.000 0.095 0.000 1.039 96 I HN 0.180 nan 8.210 nan 0.000 0.474 97 Y N -0.019 120.293 120.300 0.019 0.000 2.732 97 Y HA 0.348 4.897 4.550 -0.002 0.000 0.342 97 Y C -0.448 175.477 175.900 0.043 0.000 1.203 97 Y CA -1.228 56.882 58.100 0.017 0.000 1.092 97 Y CB 0.715 39.229 38.460 0.090 0.000 1.345 97 Y HN 0.033 nan 8.280 nan 0.000 0.458 98 H N 1.638 120.229 119.070 -0.798 0.000 2.983 98 H HA 0.422 4.976 4.556 -0.002 0.000 0.361 98 H C -0.186 175.070 175.328 -0.120 0.000 1.145 98 H CA 0.331 56.094 56.048 -0.476 0.000 1.404 98 H CB 0.762 30.145 29.762 -0.631 0.000 1.356 98 H HN 0.684 nan 8.280 nan 0.000 0.612 99 A N 3.808 126.654 122.820 0.044 0.000 2.404 99 A HA 0.209 4.528 4.320 -0.002 0.000 0.273 99 A C 0.160 177.756 177.584 0.019 0.000 1.144 99 A CA -0.427 51.634 52.037 0.039 0.000 0.806 99 A CB -0.326 18.689 19.000 0.025 0.000 1.080 99 A HN 0.574 nan 8.150 nan 0.000 0.509 100 I N 4.012 124.602 120.570 0.033 0.000 2.436 100 I HA 0.079 4.248 4.170 -0.002 0.000 0.289 100 I C 0.160 176.235 176.117 -0.070 0.000 1.083 100 I CA -0.235 61.018 61.300 -0.078 0.000 1.372 100 I CB 0.640 38.541 38.000 -0.164 0.000 1.408 100 I HN 0.320 nan 8.210 nan 0.000 0.516 101 V N 7.065 126.874 119.914 -0.175 0.000 3.051 101 V HA -0.056 4.063 4.120 -0.002 0.000 0.306 101 V C 1.324 177.368 176.094 -0.084 0.000 1.083 101 V CA -0.286 61.906 62.300 -0.180 0.000 1.104 101 V CB 0.884 32.414 31.823 -0.488 0.000 1.027 101 V HN 0.941 nan 8.190 nan 0.000 0.483 102 W N 1.400 122.767 121.300 0.112 0.000 2.331 102 W HA -0.203 4.456 4.660 -0.002 0.000 0.291 102 W C 1.350 177.980 176.519 0.186 0.000 1.214 102 W CA 1.191 58.658 57.345 0.203 0.000 1.228 102 W CB -0.668 28.998 29.460 0.344 0.000 1.135 102 W HN 0.650 nan 8.180 nan 0.000 0.537 103 Q N 1.118 120.593 119.800 -0.542 0.000 2.187 103 Q HA -0.061 4.278 4.340 -0.002 0.000 0.199 103 Q C 1.390 177.176 176.000 -0.357 0.000 0.957 103 Q CA 0.746 56.197 55.803 -0.588 0.000 0.857 103 Q CB -0.144 28.095 28.738 -0.832 0.000 0.929 103 Q HN 0.067 nan 8.270 nan 0.000 0.453 104 S N 0.531 116.062 115.700 -0.282 0.000 2.558 104 S HA -0.043 4.426 4.470 -0.002 0.000 0.293 104 S C 0.733 175.172 174.600 -0.269 0.000 1.292 104 S CA -0.039 58.007 58.200 -0.257 0.000 1.063 104 S CB 0.405 63.415 63.200 -0.318 0.000 0.831 104 S HN 0.189 nan 8.310 nan 0.000 0.499 105 R N 2.742 123.093 120.500 -0.248 0.000 2.466 105 R HA 0.068 4.407 4.340 -0.002 0.000 0.279 105 R C 1.500 177.621 176.300 -0.297 0.000 0.976 105 R CA 0.093 56.074 56.100 -0.199 0.000 1.081 105 R CB -0.285 29.965 30.300 -0.083 0.000 1.215 105 R HN 0.879 nan 8.270 nan 0.000 0.546 106 Q N 0.224 119.634 119.800 -0.651 0.000 2.466 106 Q HA -0.022 4.317 4.340 -0.002 0.000 0.210 106 Q C 0.084 175.722 176.000 -0.604 0.000 0.961 106 Q CA 1.150 56.334 55.803 -1.032 0.000 0.953 106 Q CB 0.096 27.457 28.738 -2.295 0.000 1.011 106 Q HN 0.031 nan 8.270 nan 0.000 0.516 107 T N -4.080 110.274 114.554 -0.333 0.000 3.228 107 T HA 0.149 4.498 4.350 -0.002 0.000 0.278 107 T C 1.073 175.773 174.700 -0.000 0.000 1.014 107 T CA -0.202 61.847 62.100 -0.086 0.000 0.904 107 T CB 0.804 69.621 68.868 -0.084 0.000 1.110 107 T HN 0.090 nan 8.240 nan 0.000 0.541 108 Q N 3.002 122.798 119.800 -0.006 0.000 2.061 108 Q HA -0.140 4.199 4.340 -0.002 0.000 0.204 108 Q C 2.430 178.465 176.000 0.058 0.000 0.984 108 Q CA 2.572 58.395 55.803 0.033 0.000 0.846 108 Q CB -0.651 28.113 28.738 0.043 0.000 0.902 108 Q HN 0.689 nan 8.270 nan 0.000 0.421 109 S N -0.368 115.379 115.700 0.078 0.000 2.370 109 S HA -0.185 4.284 4.470 -0.002 0.000 0.226 109 S C 2.027 176.665 174.600 0.064 0.000 1.033 109 S CA 1.418 59.663 58.200 0.076 0.000 1.011 109 S CB -0.794 62.459 63.200 0.088 0.000 0.852 109 S HN 0.470 nan 8.310 nan 0.000 0.457 110 I N 1.353 121.965 120.570 0.071 0.000 2.208 110 I HA -0.236 3.933 4.170 -0.002 0.000 0.245 110 I C 2.686 178.822 176.117 0.031 0.000 1.097 110 I CA 1.267 62.597 61.300 0.051 0.000 1.363 110 I CB -0.718 37.321 38.000 0.065 0.000 1.051 110 I HN 0.445 nan 8.210 nan 0.000 0.413 111 C N -0.009 119.308 119.300 0.028 0.000 2.436 111 C HA -0.143 4.316 4.460 -0.002 0.000 0.277 111 C C 3.170 178.183 174.990 0.039 0.000 1.241 111 C CA 1.232 60.258 59.018 0.013 0.000 1.721 111 C CB -0.989 26.770 27.740 0.031 0.000 2.043 111 C HN 0.488 nan 8.230 nan 0.000 0.472 112 S N 0.484 116.215 115.700 0.052 0.000 2.402 112 S HA -0.183 4.286 4.470 -0.002 0.000 0.233 112 S C 1.775 176.413 174.600 0.064 0.000 1.030 112 S CA 1.307 59.542 58.200 0.059 0.000 1.003 112 S CB -0.351 62.882 63.200 0.056 0.000 0.813 112 S HN 0.617 nan 8.310 nan 0.000 0.477 113 E N 1.287 121.524 120.200 0.063 0.000 2.007 113 E HA -0.089 4.260 4.350 -0.002 0.000 0.194 113 E C 2.215 178.881 176.600 0.111 0.000 0.999 113 E CA 0.949 57.393 56.400 0.073 0.000 0.811 113 E CB -0.558 29.177 29.700 0.058 0.000 0.762 113 E HN 0.454 nan 8.360 nan 0.000 0.450 114 L N 0.785 122.080 121.223 0.120 0.000 2.046 114 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 114 L C 2.739 179.754 176.870 0.241 0.000 1.077 114 L CA 1.243 56.215 54.840 0.219 0.000 0.747 114 L CB -0.437 41.720 42.059 0.164 0.000 0.896 114 L HN 0.111 nan 8.230 nan 0.000 0.432 115 K N 0.173 120.657 120.400 0.140 0.000 2.103 115 K HA -0.269 4.050 4.320 -0.002 0.000 0.207 115 K C 2.186 178.845 176.600 0.098 0.000 1.048 115 K CA 1.579 57.936 56.287 0.116 0.000 0.930 115 K CB -0.038 32.509 32.500 0.080 0.000 0.716 115 K HN 0.268 nan 8.250 nan 0.000 0.444 116 Q N 0.167 120.022 119.800 0.091 0.000 2.369 116 Q HA -0.125 4.214 4.340 -0.002 0.000 0.206 116 Q C 0.915 176.950 176.000 0.059 0.000 0.963 116 Q CA 1.006 56.848 55.803 0.066 0.000 0.894 116 Q CB 0.304 29.078 28.738 0.060 0.000 0.965 116 Q HN 0.431 nan 8.270 nan 0.000 0.475 117 Q N -1.337 118.526 119.800 0.104 0.000 2.280 117 Q HA 0.171 4.510 4.340 -0.002 0.000 0.201 117 Q C 0.665 176.559 176.000 -0.176 0.000 0.890 117 Q CA 0.349 56.188 55.803 0.059 0.000 0.947 117 Q CB 0.878 29.798 28.738 0.303 0.000 1.081 117 Q HN 0.542 nan 8.270 nan 0.000 0.502 118 G N 0.391 109.141 108.800 -0.083 0.000 2.184 118 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.264 118 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.264 118 G C 0.367 175.182 174.900 -0.141 0.000 0.975 118 G CA 0.280 45.297 45.100 -0.138 0.000 0.642 118 G HN 0.502 nan 8.290 nan 0.000 0.536 119 Y N 0.278 120.644 120.300 0.110 0.000 2.583 119 Y HA 0.177 4.726 4.550 -0.002 0.000 0.293 119 Y C 2.399 178.468 175.900 0.283 0.000 1.157 119 Y CA 1.282 59.479 58.100 0.162 0.000 1.315 119 Y CB 0.060 38.664 38.460 0.240 0.000 1.021 119 Y HN 0.557 nan 8.280 nan 0.000 0.536 120 E N 0.605 120.999 120.200 0.323 0.000 2.038 120 E HA -0.354 3.995 4.350 -0.002 0.000 0.195 120 E C 2.161 178.897 176.600 0.227 0.000 1.000 120 E CA 1.563 58.131 56.400 0.280 0.000 0.803 120 E CB -0.008 29.774 29.700 0.137 0.000 0.750 120 E HN 0.325 nan 8.360 nan 0.000 0.448 121 Q N 0.164 120.037 119.800 0.122 0.000 2.152 121 Q HA -0.176 4.163 4.340 -0.002 0.000 0.206 121 Q C 1.991 178.026 176.000 0.059 0.000 0.985 121 Q CA 2.533 58.374 55.803 0.064 0.000 0.863 121 Q CB -0.673 28.075 28.738 0.017 0.000 0.904 121 Q HN 0.278 nan 8.270 nan 0.000 0.422 122 T N -0.175 114.420 114.554 0.067 0.000 2.684 122 T HA -0.137 4.212 4.350 -0.002 0.000 0.267 122 T C 1.290 175.942 174.700 -0.080 0.000 1.036 122 T CA 1.593 63.676 62.100 -0.029 0.000 1.148 122 T CB -0.446 68.392 68.868 -0.050 0.000 0.863 122 T HN 0.308 nan 8.240 nan 0.000 0.436 123 F N 1.357 121.330 119.950 0.038 0.000 2.234 123 F HA 0.026 4.552 4.527 -0.002 0.000 0.299 123 F C 2.547 178.328 175.800 -0.033 0.000 1.087 123 F CA 0.816 58.816 58.000 -0.001 0.000 1.340 123 F CB -0.261 38.733 39.000 -0.010 0.000 1.031 123 F HN 0.005 nan 8.300 nan 0.000 0.500 124 R N 0.146 120.731 120.500 0.141 0.000 2.066 124 R HA -0.125 4.214 4.340 -0.002 0.000 0.232 124 R C 1.541 177.872 176.300 0.051 0.000 1.131 124 R CA 1.618 57.751 56.100 0.055 0.000 0.955 124 R CB -0.596 29.722 30.300 0.031 0.000 0.851 124 R HN 0.173 nan 8.270 nan 0.000 0.432 125 D N 0.326 120.743 120.400 0.028 0.000 2.264 125 D HA -0.083 4.555 4.640 -0.002 0.000 0.208 125 D C 1.455 177.776 176.300 0.034 0.000 0.966 125 D CA 1.238 55.233 54.000 -0.007 0.000 0.864 125 D CB 0.139 40.903 40.800 -0.060 0.000 0.933 125 D HN 0.235 nan 8.370 nan 0.000 0.499 126 K N -0.819 119.616 120.400 0.057 0.000 2.262 126 K HA 0.059 4.378 4.320 -0.002 0.000 0.200 126 K C 1.928 178.600 176.600 0.120 0.000 1.058 126 K CA 1.021 57.367 56.287 0.098 0.000 0.974 126 K CB 0.326 32.810 32.500 -0.026 0.000 0.910 126 K HN 0.132 nan 8.250 nan 0.000 0.484 127 T N -2.535 112.065 114.554 0.076 0.000 3.037 127 T HA 0.151 4.500 4.350 -0.002 0.000 0.251 127 T C 1.453 176.143 174.700 -0.015 0.000 1.079 127 T CA 0.584 62.708 62.100 0.040 0.000 1.067 127 T CB 0.443 69.337 68.868 0.043 0.000 0.948 127 T HN 0.324 nan 8.240 nan 0.000 0.496 128 G N 1.162 109.968 108.800 0.010 0.000 2.155 128 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.257 128 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.257 128 G C 0.122 174.978 174.900 -0.074 0.000 0.983 128 G CA 0.851 45.946 45.100 -0.008 0.000 0.676 128 G HN 0.604 nan 8.290 nan 0.000 0.528 129 L N -1.677 119.443 121.223 -0.171 0.000 2.760 129 L HA 0.938 5.277 4.340 -0.002 0.000 0.213 129 L C 0.670 177.374 176.870 -0.277 0.000 2.003 129 L CA -0.614 54.001 54.840 -0.374 0.000 2.737 129 L CB 0.236 41.715 42.059 -0.967 0.000 2.794 129 L HN 0.500 nan 8.230 nan 0.000 0.633 130 L N -2.383 118.644 121.223 -0.326 0.000 3.064 130 L HA 0.396 4.735 4.340 -0.002 0.000 0.282 130 L C -1.324 175.515 176.870 -0.052 0.000 1.045 130 L CA -0.565 54.194 54.840 -0.136 0.000 0.986 130 L CB 1.100 43.030 42.059 -0.215 0.000 1.571 130 L HN 0.181 nan 8.230 nan 0.000 0.377 131 L N 2.017 123.225 121.223 -0.025 0.000 2.466 131 L HA 0.439 4.778 4.340 -0.002 0.000 0.248 131 L C -0.726 176.204 176.870 0.100 0.000 1.240 131 L CA 0.243 55.058 54.840 -0.042 0.000 1.180 131 L CB -0.496 41.514 42.059 -0.082 0.000 1.413 131 L HN 0.581 nan 8.230 nan 0.000 0.406 132 D N 2.865 123.417 120.400 0.252 0.000 2.481 132 D HA 0.284 4.922 4.640 -0.002 0.000 0.244 132 D C -1.969 174.459 176.300 0.213 0.000 1.057 132 D CA -1.909 52.256 54.000 0.276 0.000 0.848 132 D CB 2.996 44.056 40.800 0.435 0.000 1.388 132 D HN -0.017 nan 8.370 nan 0.000 0.475 133 P HA -0.156 nan 4.420 nan 0.000 0.234 133 P C 1.108 178.437 177.300 0.049 0.000 1.162 133 P CA 0.491 63.616 63.100 0.043 0.000 0.759 133 P CB -0.093 31.588 31.700 -0.032 0.000 0.813 134 Y N 0.915 121.131 120.300 -0.141 0.000 2.352 134 Y HA -0.016 4.532 4.550 -0.002 0.000 0.292 134 Y C 0.543 176.268 175.900 -0.293 0.000 1.136 134 Y CA -0.109 57.839 58.100 -0.254 0.000 1.227 134 Y CB -0.837 37.442 38.460 -0.302 0.000 0.991 134 Y HN -0.258 nan 8.280 nan 0.000 0.545 135 F N -1.053 118.952 119.950 0.092 0.000 2.399 135 F HA 0.532 5.058 4.527 -0.002 0.000 0.328 135 F C 1.503 177.328 175.800 0.042 0.000 1.084 135 F CA -0.473 57.510 58.000 -0.029 0.000 1.053 135 F CB 0.515 39.489 39.000 -0.042 0.000 1.209 135 F HN -0.101 nan 8.300 nan 0.000 0.502 136 A N 2.291 125.275 122.820 0.274 0.000 1.903 136 A HA -0.154 4.165 4.320 -0.002 0.000 0.219 136 A C 2.423 180.092 177.584 0.142 0.000 1.191 136 A CA 2.357 54.546 52.037 0.253 0.000 0.638 136 A CB -1.629 17.602 19.000 0.386 0.000 0.823 136 A HN 1.012 nan 8.150 nan 0.000 0.451 137 G N -0.424 108.435 108.800 0.099 0.000 2.681 137 G HA2 -0.422 3.537 3.960 -0.002 0.000 0.220 137 G HA3 -0.422 3.537 3.960 -0.002 0.000 0.220 137 G C 1.800 176.699 174.900 -0.003 0.000 1.210 137 G CA 2.983 48.085 45.100 0.004 0.000 0.783 137 G HN 1.001 nan 8.290 nan 0.000 0.609 138 T N -1.040 113.529 114.554 0.025 0.000 2.962 138 T HA 0.033 4.382 4.350 -0.002 0.000 0.270 138 T C 2.113 176.853 174.700 0.068 0.000 1.088 138 T CA 1.665 63.782 62.100 0.029 0.000 1.127 138 T CB -0.181 68.698 68.868 0.020 0.000 0.883 138 T HN 0.449 nan 8.240 nan 0.000 0.493 139 K N 0.653 121.091 120.400 0.063 0.000 2.103 139 K HA 0.089 4.408 4.320 -0.002 0.000 0.204 139 K C 2.322 179.001 176.600 0.131 0.000 1.052 139 K CA 0.904 57.234 56.287 0.071 0.000 0.945 139 K CB -0.289 32.249 32.500 0.063 0.000 0.722 139 K HN 0.221 nan 8.250 nan 0.000 0.443 140 V N 2.086 122.044 119.914 0.074 0.000 2.270 140 V HA -0.251 3.867 4.120 -0.002 0.000 0.245 140 V C 2.379 178.487 176.094 0.024 0.000 1.043 140 V CA 1.716 64.035 62.300 0.032 0.000 1.014 140 V CB -0.418 31.311 31.823 -0.158 0.000 0.645 140 V HN 0.310 nan 8.190 nan 0.000 0.447 141 K N -1.135 119.266 120.400 0.002 0.000 2.113 141 K HA -0.291 4.028 4.320 -0.002 0.000 0.208 141 K C 2.005 178.617 176.600 0.019 0.000 1.047 141 K CA 2.208 58.489 56.287 -0.010 0.000 0.928 141 K CB -0.333 32.160 32.500 -0.012 0.000 0.716 141 K HN 0.578 nan 8.250 nan 0.000 0.446 142 W N 1.332 122.569 121.300 -0.106 0.000 2.354 142 W HA -0.167 4.492 4.660 -0.002 0.000 0.315 142 W C 1.596 178.014 176.519 -0.168 0.000 1.206 142 W CA 1.754 59.019 57.345 -0.134 0.000 1.290 142 W CB -0.164 29.201 29.460 -0.158 0.000 1.152 142 W HN -0.008 nan 8.180 nan 0.000 0.489 143 I N 0.404 121.124 120.570 0.250 0.000 2.163 143 I HA -0.363 3.805 4.170 -0.002 0.000 0.243 143 I C 2.319 178.356 176.117 -0.133 0.000 1.085 143 I CA 1.453 62.787 61.300 0.057 0.000 1.347 143 I CB -0.863 37.211 38.000 0.122 0.000 1.044 143 I HN 0.025 nan 8.210 nan 0.000 0.408 144 L N 0.068 121.234 121.223 -0.096 0.000 2.201 144 L HA -0.189 4.149 4.340 -0.002 0.000 0.212 144 L C 1.691 178.460 176.870 -0.168 0.000 1.105 144 L CA 1.022 55.792 54.840 -0.117 0.000 0.775 144 L CB -0.559 41.443 42.059 -0.094 0.000 0.913 144 L HN 0.285 nan 8.230 nan 0.000 0.440 145 D N -0.814 119.447 120.400 -0.232 0.000 2.327 145 D HA -0.040 4.599 4.640 -0.002 0.000 0.205 145 D C 1.558 177.636 176.300 -0.371 0.000 0.989 145 D CA 0.572 54.414 54.000 -0.264 0.000 0.873 145 D CB 0.165 40.814 40.800 -0.252 0.000 0.955 145 D HN 0.279 nan 8.370 nan 0.000 0.515 146 N N -0.469 117.891 118.700 -0.566 0.000 2.463 146 N HA 0.032 4.771 4.740 -0.002 0.000 0.183 146 N C 0.178 175.416 175.510 -0.454 0.000 1.064 146 N CA 0.119 52.767 53.050 -0.670 0.000 0.879 146 N CB 0.938 38.590 38.487 -1.392 0.000 1.148 146 N HN -0.091 nan 8.380 nan 0.000 0.451 147 V N 2.741 122.419 119.914 -0.394 0.000 2.427 147 V HA 0.057 4.175 4.120 -0.002 0.000 0.268 147 V C 0.690 176.706 176.094 -0.130 0.000 1.046 147 V CA -0.729 61.442 62.300 -0.215 0.000 0.970 147 V CB 0.644 32.372 31.823 -0.158 0.000 1.001 147 V HN 0.214 nan 8.190 nan 0.000 0.476 148 E N 3.933 124.082 120.200 -0.085 0.000 2.502 148 E HA 0.210 4.559 4.350 -0.002 0.000 0.261 148 E C 1.377 177.952 176.600 -0.042 0.000 0.974 148 E CA 0.942 57.306 56.400 -0.061 0.000 0.936 148 E CB 0.291 29.969 29.700 -0.036 0.000 0.926 148 E HN 0.981 nan 8.360 nan 0.000 0.459 149 G N 3.176 111.949 108.800 -0.045 0.000 2.347 149 G HA2 -0.447 3.512 3.960 -0.002 0.000 0.247 149 G HA3 -0.447 3.512 3.960 -0.002 0.000 0.247 149 G C 1.093 175.970 174.900 -0.039 0.000 1.037 149 G CA 0.616 45.695 45.100 -0.034 0.000 0.622 149 G HN 0.873 nan 8.290 nan 0.000 0.521 150 A N 0.574 123.365 122.820 -0.049 0.000 1.892 150 A HA -0.025 4.294 4.320 -0.002 0.000 0.218 150 A C 2.189 179.736 177.584 -0.063 0.000 1.188 150 A CA 2.870 54.876 52.037 -0.053 0.000 0.631 150 A CB -0.588 18.373 19.000 -0.065 0.000 0.822 150 A HN 0.797 nan 8.150 nan 0.000 0.447 151 R N 0.685 121.141 120.500 -0.073 0.000 2.136 151 R HA -0.211 4.127 4.340 -0.002 0.000 0.242 151 R C 2.158 178.422 176.300 -0.059 0.000 1.131 151 R CA 2.442 58.499 56.100 -0.072 0.000 0.937 151 R CB -0.521 29.734 30.300 -0.075 0.000 0.863 151 R HN 0.736 nan 8.270 nan 0.000 0.435 152 E N 0.436 120.606 120.200 -0.050 0.000 2.208 152 E HA -0.157 4.192 4.350 -0.002 0.000 0.193 152 E C 1.560 178.138 176.600 -0.037 0.000 0.988 152 E CA 1.135 57.511 56.400 -0.040 0.000 0.828 152 E CB -0.234 29.445 29.700 -0.034 0.000 0.763 152 E HN 0.446 nan 8.360 nan 0.000 0.478 153 K N 0.990 121.368 120.400 -0.037 0.000 2.155 153 K HA 0.088 4.407 4.320 -0.002 0.000 0.203 153 K C 2.254 178.828 176.600 -0.044 0.000 1.052 153 K CA 1.035 57.303 56.287 -0.031 0.000 0.948 153 K CB -0.112 32.373 32.500 -0.024 0.000 0.728 153 K HN 0.149 nan 8.250 nan 0.000 0.448 154 A N 1.761 124.545 122.820 -0.059 0.000 1.969 154 A HA -0.167 4.152 4.320 -0.002 0.000 0.218 154 A C 1.795 179.340 177.584 -0.066 0.000 1.169 154 A CA 1.277 53.268 52.037 -0.077 0.000 0.635 154 A CB -0.242 18.706 19.000 -0.086 0.000 0.810 154 A HN 0.269 nan 8.150 nan 0.000 0.445 155 E N -0.065 120.104 120.200 -0.053 0.000 2.208 155 E HA -0.086 4.263 4.350 -0.002 0.000 0.193 155 E C 1.011 177.591 176.600 -0.033 0.000 0.988 155 E CA 0.879 57.252 56.400 -0.044 0.000 0.828 155 E CB -0.188 29.488 29.700 -0.040 0.000 0.763 155 E HN 0.719 nan 8.360 nan 0.000 0.478 156 N N 0.042 118.725 118.700 -0.028 0.000 2.336 156 N HA 0.032 4.771 4.740 -0.002 0.000 0.189 156 N C 0.469 175.977 175.510 -0.004 0.000 1.113 156 N CA 0.206 53.248 53.050 -0.014 0.000 0.858 156 N CB 0.829 39.309 38.487 -0.011 0.000 0.970 156 N HN 0.101 nan 8.380 nan 0.000 0.471 157 G N 1.945 110.731 108.800 -0.022 0.000 2.272 157 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.280 157 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.280 157 G C 0.006 174.903 174.900 -0.004 0.000 1.067 157 G CA 0.169 45.252 45.100 -0.028 0.000 0.902 157 G HN 0.317 nan 8.290 nan 0.000 0.500 158 D N -0.704 119.692 120.400 -0.006 0.000 2.389 158 D HA 0.208 4.847 4.640 -0.002 0.000 0.206 158 D C 1.561 177.833 176.300 -0.048 0.000 1.055 158 D CA 0.387 54.415 54.000 0.047 0.000 0.856 158 D CB 0.404 41.235 40.800 0.052 0.000 0.957 158 D HN 0.549 nan 8.370 nan 0.000 0.509 159 L N 0.483 121.620 121.223 -0.142 0.000 2.322 159 L HA 0.545 4.884 4.340 -0.002 0.000 0.269 159 L C -0.396 176.198 176.870 -0.459 0.000 1.012 159 L CA -0.814 53.864 54.840 -0.271 0.000 0.815 159 L CB 2.083 44.023 42.059 -0.197 0.000 1.295 159 L HN -0.294 nan 8.230 nan 0.000 0.438 160 L N 1.367 122.104 121.223 -0.809 0.000 2.408 160 L HA 0.492 4.831 4.340 -0.002 0.000 0.268 160 L C -0.999 175.234 176.870 -1.062 0.000 0.986 160 L CA -0.451 53.731 54.840 -1.098 0.000 0.820 160 L CB 2.615 43.579 42.059 -1.825 0.000 1.303 160 L HN 0.386 nan 8.230 nan 0.000 0.411 161 F N 1.616 121.179 119.950 -0.645 0.000 2.440 161 F HA 0.893 5.419 4.527 -0.002 0.000 0.328 161 F C 0.156 175.897 175.800 -0.098 0.000 1.070 161 F CA -0.363 57.422 58.000 -0.358 0.000 1.011 161 F CB 2.040 40.913 39.000 -0.213 0.000 1.226 161 F HN 0.375 nan 8.300 nan 0.000 0.491 162 G N 1.710 109.689 108.800 -1.369 0.000 2.498 162 G HA2 0.422 4.381 3.960 -0.002 0.000 0.301 162 G HA3 0.422 4.381 3.960 -0.002 0.000 0.301 162 G C -1.229 173.270 174.900 -0.669 0.000 1.577 162 G CA -0.392 44.187 45.100 -0.868 0.000 0.868 162 G HN 0.882 nan 8.290 nan 0.000 0.599 163 T N 0.280 114.581 114.554 -0.422 0.000 2.754 163 T HA 0.395 4.744 4.350 -0.002 0.000 0.286 163 T C 1.847 176.564 174.700 0.028 0.000 0.997 163 T CA -0.672 61.371 62.100 -0.096 0.000 0.982 163 T CB 0.765 69.651 68.868 0.030 0.000 1.027 163 T HN 0.276 nan 8.240 nan 0.000 0.529 164 I N 2.144 122.774 120.570 0.100 0.000 2.185 164 I HA -0.231 3.938 4.170 -0.002 0.000 0.246 164 I C 2.535 178.728 176.117 0.127 0.000 1.088 164 I CA 1.910 63.307 61.300 0.163 0.000 1.347 164 I CB -1.507 36.598 38.000 0.175 0.000 1.041 164 I HN 0.856 nan 8.210 nan 0.000 0.415 165 D N 0.235 120.669 120.400 0.057 0.000 2.116 165 D HA -0.222 4.417 4.640 -0.002 0.000 0.193 165 D C 1.809 178.096 176.300 -0.021 0.000 0.998 165 D CA 2.269 56.267 54.000 -0.003 0.000 0.836 165 D CB -0.901 39.867 40.800 -0.054 0.000 0.951 165 D HN 0.275 nan 8.370 nan 0.000 0.449 166 T N 0.245 114.800 114.554 0.002 0.000 2.674 166 T HA -0.183 4.166 4.350 -0.002 0.000 0.265 166 T C 1.519 176.295 174.700 0.127 0.000 1.039 166 T CA 1.275 63.404 62.100 0.047 0.000 1.150 166 T CB -0.826 68.070 68.868 0.045 0.000 0.864 166 T HN 0.416 nan 8.240 nan 0.000 0.427 167 W N 1.852 123.070 121.300 -0.136 0.000 2.321 167 W HA -0.178 4.480 4.660 -0.002 0.000 0.306 167 W C 1.646 177.962 176.519 -0.340 0.000 1.217 167 W CA 1.042 58.128 57.345 -0.431 0.000 1.257 167 W CB -0.403 28.824 29.460 -0.388 0.000 1.145 167 W HN 0.250 nan 8.180 nan 0.000 0.509 168 L N 0.128 121.173 121.223 -0.296 0.000 2.023 168 L HA -0.237 4.102 4.340 -0.002 0.000 0.205 168 L C 2.490 179.153 176.870 -0.345 0.000 1.073 168 L CA 1.208 55.819 54.840 -0.382 0.000 0.745 168 L CB -1.456 40.555 42.059 -0.081 0.000 0.900 168 L HN -0.209 nan 8.230 nan 0.000 0.435 169 V N -1.046 118.765 119.914 -0.172 0.000 2.392 169 V HA -0.308 3.811 4.120 -0.002 0.000 0.249 169 V C 2.089 178.109 176.094 -0.124 0.000 1.059 169 V CA 1.990 64.215 62.300 -0.125 0.000 1.051 169 V CB -0.669 31.097 31.823 -0.094 0.000 0.658 169 V HN 0.598 nan 8.190 nan 0.000 0.455 170 W N 1.074 122.203 121.300 -0.285 0.000 2.358 170 W HA -0.136 4.523 4.660 -0.002 0.000 0.303 170 W C 2.491 178.735 176.519 -0.458 0.000 1.208 170 W CA 1.627 58.831 57.345 -0.236 0.000 1.274 170 W CB -0.012 29.405 29.460 -0.071 0.000 1.138 170 W HN -0.002 nan 8.180 nan 0.000 0.515 171 K N -0.180 119.803 120.400 -0.695 0.000 2.062 171 K HA -0.129 4.189 4.320 -0.002 0.000 0.205 171 K C 1.911 177.974 176.600 -0.895 0.000 1.051 171 K CA 1.173 56.757 56.287 -1.172 0.000 0.941 171 K CB -1.343 29.765 32.500 -2.319 0.000 0.719 171 K HN 0.234 nan 8.250 nan 0.000 0.440 172 L N 1.858 122.684 121.223 -0.661 0.000 2.093 172 L HA -0.103 4.236 4.340 -0.002 0.000 0.208 172 L C 2.000 178.763 176.870 -0.177 0.000 1.085 172 L CA 1.905 56.609 54.840 -0.225 0.000 0.755 172 L CB -0.666 41.349 42.059 -0.073 0.000 0.904 172 L HN 0.188 nan 8.230 nan 0.000 0.435 173 S N -1.176 114.381 115.700 -0.238 0.000 2.593 173 S HA 0.276 4.745 4.470 -0.002 0.000 0.217 173 S C 1.376 175.821 174.600 -0.259 0.000 0.966 173 S CA 0.154 58.233 58.200 -0.202 0.000 0.914 173 S CB -0.518 62.590 63.200 -0.154 0.000 0.776 173 S HN 0.791 nan 8.310 nan 0.000 0.523 174 G N 2.207 110.805 108.800 -0.337 0.000 2.225 174 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.264 174 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.264 174 G C 0.350 174.944 174.900 -0.508 0.000 1.060 174 G CA 0.053 44.942 45.100 -0.352 0.000 0.833 174 G HN 0.607 nan 8.290 nan 0.000 0.498 175 K N -3.184 116.697 120.400 -0.866 0.000 3.512 175 K HA -0.301 4.018 4.320 -0.002 0.000 0.309 175 K C 2.057 178.391 176.600 -0.442 0.000 1.350 175 K CA 1.488 57.082 56.287 -1.156 0.000 0.960 175 K CB -1.944 29.997 32.500 -0.932 0.000 1.290 175 K HN 1.449 nan 8.250 nan 0.000 0.454 176 A N 0.998 123.646 122.820 -0.286 0.000 1.877 176 A HA 0.217 4.536 4.320 -0.002 0.000 0.216 176 A C 1.077 178.658 177.584 -0.005 0.000 1.186 176 A CA 1.598 53.569 52.037 -0.110 0.000 0.620 176 A CB -0.010 18.932 19.000 -0.097 0.000 0.822 176 A HN 0.548 nan 8.150 nan 0.000 0.443 177 A N -1.097 121.735 122.820 0.020 0.000 2.330 177 A HA 0.568 4.887 4.320 -0.002 0.000 0.313 177 A C -0.550 177.234 177.584 0.334 0.000 1.124 177 A CA -0.373 51.751 52.037 0.145 0.000 0.774 177 A CB 0.415 19.475 19.000 0.101 0.000 1.198 177 A HN 0.468 nan 8.150 nan 0.000 0.465 178 H N 3.886 123.125 119.070 0.282 0.000 2.439 178 H HA 0.492 5.047 4.556 -0.002 0.000 0.239 178 H C -1.168 174.268 175.328 0.180 0.000 1.432 178 H CA -0.365 55.886 56.048 0.337 0.000 1.373 178 H CB 0.029 29.996 29.762 0.340 0.000 1.463 178 H HN 0.683 nan 8.280 nan 0.000 0.530 179 I N 0.020 120.553 120.570 -0.060 0.000 3.206 179 I HA 0.695 4.864 4.170 -0.002 0.000 0.313 179 I C -0.540 175.451 176.117 -0.210 0.000 1.103 179 I CA -1.063 60.155 61.300 -0.136 0.000 0.985 179 I CB 1.991 39.945 38.000 -0.078 0.000 1.240 179 I HN 0.194 nan 8.210 nan 0.000 0.464 180 T N 0.362 114.788 114.554 -0.212 0.000 2.802 180 T HA 0.470 4.818 4.350 -0.002 0.000 0.311 180 T C -1.959 172.563 174.700 -0.295 0.000 1.405 180 T CA -0.480 61.481 62.100 -0.232 0.000 1.016 180 T CB 1.164 69.967 68.868 -0.109 0.000 1.352 180 T HN 1.084 nan 8.240 nan 0.000 0.498 181 D N 0.933 121.156 120.400 -0.295 0.000 2.487 181 D HA 0.251 4.890 4.640 -0.002 0.000 0.262 181 D C 0.806 176.866 176.300 -0.400 0.000 1.130 181 D CA -0.470 53.324 54.000 -0.343 0.000 1.038 181 D CB 0.442 41.136 40.800 -0.175 0.000 1.142 181 D HN 0.532 nan 8.370 nan 0.000 0.575 182 Y N 0.312 120.462 120.300 -0.251 0.000 2.128 182 Y HA -0.250 4.298 4.550 -0.002 0.000 0.284 182 Y C 3.008 178.716 175.900 -0.321 0.000 1.154 182 Y CA 1.999 59.871 58.100 -0.381 0.000 1.149 182 Y CB -1.030 37.295 38.460 -0.226 0.000 0.976 182 Y HN 0.515 nan 8.280 nan 0.000 0.505 183 S N 0.220 115.917 115.700 -0.005 0.000 2.359 183 S HA -0.255 4.213 4.470 -0.002 0.000 0.223 183 S C 1.916 176.489 174.600 -0.045 0.000 1.039 183 S CA 1.628 59.822 58.200 -0.009 0.000 1.042 183 S CB -0.806 62.415 63.200 0.035 0.000 0.915 183 S HN 0.462 nan 8.310 nan 0.000 0.439 184 N N 2.580 121.239 118.700 -0.068 0.000 2.120 184 N HA 0.022 4.760 4.740 -0.002 0.000 0.188 184 N C 2.069 177.557 175.510 -0.036 0.000 1.024 184 N CA 1.532 54.558 53.050 -0.039 0.000 0.852 184 N CB -0.941 37.520 38.487 -0.043 0.000 1.003 184 N HN 0.641 nan 8.380 nan 0.000 0.424 185 A N 0.935 123.643 122.820 -0.186 0.000 1.972 185 A HA -0.126 4.193 4.320 -0.002 0.000 0.219 185 A C 2.247 179.725 177.584 -0.176 0.000 1.169 185 A CA 1.897 53.762 52.037 -0.286 0.000 0.635 185 A CB -0.670 17.733 19.000 -0.995 0.000 0.810 185 A HN 0.460 nan 8.150 nan 0.000 0.446 186 S N -0.995 114.608 115.700 -0.162 0.000 2.603 186 S HA 0.006 4.475 4.470 -0.002 0.000 0.229 186 S C 1.199 175.846 174.600 0.078 0.000 0.972 186 S CA 0.371 58.606 58.200 0.059 0.000 0.935 186 S CB -0.119 63.119 63.200 0.063 0.000 0.769 186 S HN 0.479 nan 8.310 nan 0.000 0.536 187 R N 1.454 122.009 120.500 0.091 0.000 2.552 187 R HA 0.207 4.545 4.340 -0.002 0.000 0.314 187 R C 0.984 177.413 176.300 0.215 0.000 1.041 187 R CA 0.739 56.921 56.100 0.137 0.000 1.076 187 R CB -0.429 29.945 30.300 0.123 0.000 1.290 187 R HN 0.706 nan 8.270 nan 0.000 0.563 188 T N -2.844 111.843 114.554 0.221 0.000 3.054 188 T HA 0.298 4.647 4.350 -0.002 0.000 0.255 188 T C 0.888 175.720 174.700 0.220 0.000 1.035 188 T CA -0.309 61.962 62.100 0.285 0.000 0.941 188 T CB 0.431 69.554 68.868 0.424 0.000 1.026 188 T HN 0.096 nan 8.240 nan 0.000 0.533 192 N N 6.930 125.331 118.700 -0.498 0.000 2.402 192 N HA 0.130 4.869 4.740 -0.002 0.000 0.259 192 N C 1.268 176.531 175.510 -0.412 0.000 1.167 192 N CA -0.001 52.856 53.050 -0.323 0.000 0.949 192 N CB 0.536 38.873 38.487 -0.249 0.000 1.212 192 N HN 0.813 nan 8.380 nan 0.000 0.493 193 I N 0.796 121.290 120.570 -0.126 0.000 3.083 193 I HA -0.100 4.069 4.170 -0.002 0.000 0.273 193 I C 0.734 176.794 176.117 -0.094 0.000 1.297 193 I CA 0.790 62.081 61.300 -0.014 0.000 1.452 193 I CB -0.217 37.806 38.000 0.037 0.000 1.078 193 I HN 0.397 nan 8.210 nan 0.000 0.484 194 H N 1.906 120.968 119.070 -0.013 0.000 2.486 194 H HA 0.031 4.585 4.556 -0.002 0.000 0.287 194 H C 1.085 176.392 175.328 -0.035 0.000 1.010 194 H CA 1.471 57.507 56.048 -0.019 0.000 1.324 194 H CB 0.265 29.983 29.762 -0.074 0.000 1.446 194 H HN 0.619 nan 8.280 nan 0.000 0.537 195 D N -0.080 120.321 120.400 0.001 0.000 2.433 195 D HA 0.043 4.682 4.640 -0.002 0.000 0.211 195 D C 0.423 176.647 176.300 -0.128 0.000 1.114 195 D CA -0.186 53.783 54.000 -0.051 0.000 0.837 195 D CB 0.000 40.764 40.800 -0.061 0.000 0.984 195 D HN 0.121 nan 8.370 nan 0.000 0.505 196 L N 0.741 121.814 121.223 -0.249 0.000 3.571 196 L HA -0.232 4.107 4.340 -0.002 0.000 0.630 196 L C -0.843 175.751 176.870 -0.460 0.000 1.265 196 L CA 0.727 55.385 54.840 -0.303 0.000 0.998 196 L CB -2.053 40.020 42.059 0.023 0.000 1.574 196 L HN 0.516 nan 8.230 nan 0.000 0.867 197 E N -1.026 118.516 120.200 -1.098 0.000 2.392 197 E HA 0.299 4.648 4.350 -0.002 0.000 0.281 197 E C -1.073 175.152 176.600 -0.625 0.000 1.088 197 E CA -1.169 54.843 56.400 -0.647 0.000 0.850 197 E CB 0.437 30.009 29.700 -0.213 0.000 1.267 197 E HN 0.166 nan 8.360 nan 0.000 0.438 198 W N 1.626 122.899 121.300 -0.046 0.000 2.347 198 W HA 0.147 4.806 4.660 -0.002 0.000 0.333 198 W C 0.241 176.720 176.519 -0.066 0.000 1.383 198 W CA 0.290 57.645 57.345 0.017 0.000 1.283 198 W CB 0.329 29.840 29.460 0.085 0.000 1.253 198 W HN 0.520 nan 8.180 nan 0.000 0.563 199 D N 3.267 123.761 120.400 0.157 0.000 2.339 199 D HA -0.003 4.636 4.640 -0.002 0.000 0.241 199 D C 0.928 177.255 176.300 0.045 0.000 1.183 199 D CA -0.045 53.978 54.000 0.037 0.000 0.859 199 D CB 0.726 41.512 40.800 -0.023 0.000 1.067 199 D HN 0.268 nan 8.370 nan 0.000 0.484 200 D N 2.786 123.201 120.400 0.025 0.000 2.116 200 D HA -0.241 4.398 4.640 -0.002 0.000 0.193 200 D C 1.528 177.809 176.300 -0.031 0.000 0.998 200 D CA 1.029 55.032 54.000 0.006 0.000 0.836 200 D CB 0.017 40.817 40.800 -0.000 0.000 0.951 200 D HN 0.695 nan 8.370 nan 0.000 0.449 201 E N 0.458 120.624 120.200 -0.056 0.000 2.038 201 E HA -0.169 4.180 4.350 -0.002 0.000 0.195 201 E C 2.347 178.865 176.600 -0.136 0.000 1.000 201 E CA 0.736 57.078 56.400 -0.097 0.000 0.803 201 E CB -0.185 29.447 29.700 -0.113 0.000 0.750 201 E HN 0.223 nan 8.360 nan 0.000 0.448 202 L N 0.626 121.762 121.223 -0.145 0.000 2.127 202 L HA -0.215 4.124 4.340 -0.002 0.000 0.211 202 L C 2.579 179.443 176.870 -0.010 0.000 1.089 202 L CA 0.744 55.506 54.840 -0.130 0.000 0.757 202 L CB -0.410 41.611 42.059 -0.063 0.000 0.899 202 L HN 0.286 nan 8.230 nan 0.000 0.434 203 L N -0.625 120.584 121.223 -0.022 0.000 2.044 203 L HA -0.162 4.177 4.340 -0.002 0.000 0.205 203 L C 2.551 179.385 176.870 -0.060 0.000 1.075 203 L CA 1.227 56.042 54.840 -0.042 0.000 0.747 203 L CB -0.453 41.575 42.059 -0.052 0.000 0.903 203 L HN 0.225 nan 8.230 nan 0.000 0.435 204 E N -0.033 120.128 120.200 -0.066 0.000 2.077 204 E HA -0.255 4.094 4.350 -0.002 0.000 0.193 204 E C 2.098 178.646 176.600 -0.086 0.000 0.989 204 E CA 0.986 57.342 56.400 -0.072 0.000 0.800 204 E CB -0.134 29.523 29.700 -0.071 0.000 0.746 204 E HN 0.206 nan 8.360 nan 0.000 0.452 205 L N 0.368 121.526 121.223 -0.109 0.000 2.275 205 L HA -0.090 4.249 4.340 -0.002 0.000 0.215 205 L C 1.698 178.542 176.870 -0.044 0.000 1.119 205 L CA 1.389 56.142 54.840 -0.145 0.000 0.790 205 L CB 0.064 41.976 42.059 -0.246 0.000 0.919 205 L HN 0.095 nan 8.230 nan 0.000 0.443 206 L N -0.719 120.499 121.223 -0.008 0.000 2.700 206 L HA 0.107 4.446 4.340 -0.002 0.000 0.234 206 L C 0.828 177.669 176.870 -0.049 0.000 1.156 206 L CA 0.568 55.405 54.840 -0.004 0.000 0.946 206 L CB -0.467 41.602 42.059 0.016 0.000 1.216 206 L HN 0.417 nan 8.230 nan 0.000 0.493 207 T N -2.701 111.817 114.554 -0.060 0.000 3.799 207 T HA -0.194 4.155 4.350 -0.002 0.000 0.358 207 T C -0.020 174.628 174.700 -0.087 0.000 0.759 207 T CA 0.275 62.333 62.100 -0.070 0.000 1.869 207 T CB -2.760 66.069 68.868 -0.065 0.000 1.837 207 T HN 0.023 nan 8.240 nan 0.000 0.762 208 V N 1.921 121.773 119.914 -0.104 0.000 2.347 208 V HA 0.495 4.614 4.120 -0.002 0.000 0.280 208 V C -1.747 174.257 176.094 -0.151 0.000 1.021 208 V CA -1.994 60.218 62.300 -0.147 0.000 0.847 208 V CB 1.347 33.045 31.823 -0.207 0.000 0.990 208 V HN 0.305 nan 8.190 nan 0.000 0.444 209 P HA 0.145 nan 4.420 nan 0.000 0.268 209 P C 0.487 177.691 177.300 -0.161 0.000 1.205 209 P CA -0.179 62.845 63.100 -0.127 0.000 0.771 209 P CB 0.824 32.458 31.700 -0.111 0.000 0.858 210 K N 1.660 121.981 120.400 -0.132 0.000 2.418 210 K HA -0.042 4.277 4.320 -0.002 0.000 0.195 210 K C 0.853 177.375 176.600 -0.130 0.000 1.035 210 K CA 0.192 56.388 56.287 -0.151 0.000 1.003 210 K CB -0.058 32.394 32.500 -0.079 0.000 0.793 210 K HN 0.554 nan 8.250 nan 0.000 0.494 214 P HA 0.261 nan 4.420 nan 0.000 0.280 214 P C -1.210 176.234 177.300 0.240 0.000 1.272 214 P CA -0.470 62.559 63.100 -0.117 0.000 0.819 214 P CB 1.204 32.513 31.700 -0.653 0.000 1.122 215 E N 0.232 120.525 120.200 0.155 0.000 2.316 215 E HA 0.205 4.554 4.350 -0.002 0.000 0.275 215 E C -0.899 175.750 176.600 0.080 0.000 1.029 215 E CA -0.255 56.252 56.400 0.180 0.000 0.871 215 E CB 0.119 29.895 29.700 0.126 0.000 1.022 215 E HN 0.056 nan 8.360 nan 0.000 0.418 216 V N 6.784 126.715 119.914 0.029 0.000 2.389 216 V HA 0.235 4.354 4.120 -0.002 0.000 0.264 216 V C 0.312 176.220 176.094 -0.311 0.000 1.049 216 V CA -0.195 61.971 62.300 -0.224 0.000 0.932 216 V CB 0.421 32.033 31.823 -0.353 0.000 1.011 216 V HN 0.623 nan 8.190 nan 0.000 0.475 217 K N 3.197 123.377 120.400 -0.368 0.000 2.316 217 K HA 0.848 5.167 4.320 -0.002 0.000 0.234 217 K C -0.046 176.250 176.600 -0.506 0.000 1.054 217 K CA -0.824 55.290 56.287 -0.290 0.000 0.879 217 K CB 1.839 34.373 32.500 0.057 0.000 1.252 217 K HN 0.574 nan 8.250 nan 0.000 0.471 218 A N 0.478 123.193 122.820 -0.175 0.000 2.346 218 A HA 0.129 4.447 4.320 -0.002 0.000 0.252 218 A C 0.781 178.425 177.584 0.100 0.000 1.089 218 A CA -0.132 51.914 52.037 0.016 0.000 0.797 218 A CB 0.122 19.205 19.000 0.139 0.000 1.047 218 A HN 0.663 nan 8.150 nan 0.000 0.494 219 S N -0.217 115.566 115.700 0.137 0.000 2.561 219 S HA 0.066 4.535 4.470 -0.002 0.000 0.225 219 S C 0.841 175.495 174.600 0.089 0.000 0.977 219 S CA 1.098 59.369 58.200 0.118 0.000 0.926 219 S CB -0.062 63.185 63.200 0.078 0.000 0.769 219 S HN 0.781 nan 8.310 nan 0.000 0.533 220 S N 1.323 117.045 115.700 0.037 0.000 2.279 220 S HA 0.429 4.898 4.470 -0.002 0.000 0.176 220 S C -0.955 173.567 174.600 -0.129 0.000 1.554 220 S CA -0.631 57.545 58.200 -0.039 0.000 1.242 220 S CB 0.287 63.469 63.200 -0.030 0.000 1.163 220 S HN 0.431 nan 8.310 nan 0.000 0.449 221 E N 2.448 122.430 120.200 -0.363 0.000 2.372 221 E HA 0.397 4.746 4.350 -0.002 0.000 0.279 221 E C -1.444 174.658 176.600 -0.831 0.000 0.946 221 E CA -0.821 55.272 56.400 -0.511 0.000 0.769 221 E CB 1.751 31.170 29.700 -0.469 0.000 1.230 221 E HN 0.296 nan 8.360 nan 0.000 0.442 222 V N 5.280 124.909 119.914 -0.474 0.000 2.381 222 V HA 0.025 4.144 4.120 -0.002 0.000 0.257 222 V C 0.159 176.047 176.094 -0.343 0.000 1.057 222 V CA 0.361 62.447 62.300 -0.357 0.000 1.013 222 V CB -0.644 31.075 31.823 -0.173 0.000 1.069 222 V HN 0.671 nan 8.190 nan 0.000 0.484 223 Y N 3.484 123.761 120.300 -0.038 0.000 2.516 223 Y HA 0.361 4.910 4.550 -0.002 0.000 0.291 223 Y C 1.617 177.497 175.900 -0.033 0.000 1.131 223 Y CA 0.743 58.824 58.100 -0.033 0.000 1.281 223 Y CB 0.200 38.639 38.460 -0.035 0.000 1.013 223 Y HN 0.755 nan 8.280 nan 0.000 0.554 224 G N -0.823 108.013 108.800 0.061 0.000 2.398 224 G HA2 0.299 4.257 3.960 -0.002 0.000 0.251 224 G HA3 0.299 4.257 3.960 -0.002 0.000 0.251 224 G C -1.589 173.295 174.900 -0.027 0.000 1.277 224 G CA -1.097 44.010 45.100 0.011 0.000 0.927 224 G HN -0.066 nan 8.290 nan 0.000 0.477 225 K N -0.228 120.141 120.400 -0.052 0.000 2.480 225 K HA 0.651 4.970 4.320 -0.002 0.000 0.258 225 K C -0.301 176.233 176.600 -0.109 0.000 0.990 225 K CA -0.477 55.759 56.287 -0.085 0.000 0.857 225 K CB 2.159 34.612 32.500 -0.078 0.000 1.384 225 K HN 0.859 nan 8.250 nan 0.000 0.446 226 T N -0.962 113.505 114.554 -0.145 0.000 2.913 226 T HA 0.355 4.704 4.350 -0.002 0.000 0.297 226 T C 0.735 175.359 174.700 -0.126 0.000 1.029 226 T CA -0.822 61.193 62.100 -0.142 0.000 1.104 226 T CB -0.037 68.712 68.868 -0.199 0.000 0.964 226 T HN 0.511 nan 8.240 nan 0.000 0.532 227 I N 0.841 121.312 120.570 -0.166 0.000 2.575 227 I HA 0.277 4.446 4.170 -0.002 0.000 0.285 227 I C 1.344 177.301 176.117 -0.265 0.000 1.085 227 I CA -0.875 60.265 61.300 -0.267 0.000 1.403 227 I CB 0.659 38.379 38.000 -0.466 0.000 1.409 227 I HN 0.730 nan 8.210 nan 0.000 0.557 228 D N 5.861 126.146 120.400 -0.191 0.000 2.133 228 D HA -0.354 4.284 4.640 -0.002 0.000 0.192 228 D C 1.724 177.967 176.300 -0.095 0.000 1.001 228 D CA 2.502 56.455 54.000 -0.080 0.000 0.844 228 D CB -0.963 39.827 40.800 -0.016 0.000 0.944 228 D HN 0.878 nan 8.370 nan 0.000 0.447 229 Y N -1.171 119.065 120.300 -0.107 0.000 2.421 229 Y HA 0.042 4.591 4.550 -0.002 0.000 0.292 229 Y C 1.877 177.641 175.900 -0.226 0.000 1.136 229 Y CA 0.989 58.979 58.100 -0.182 0.000 1.255 229 Y CB -0.739 37.584 38.460 -0.230 0.000 0.991 229 Y HN 0.029 nan 8.280 nan 0.000 0.552 230 H N -1.018 117.902 119.070 -0.249 0.000 2.539 230 H HA 0.147 4.702 4.556 -0.002 0.000 0.267 230 H C -0.512 174.699 175.328 -0.195 0.000 0.982 230 H CA -0.055 55.908 56.048 -0.141 0.000 1.146 230 H CB 0.143 29.863 29.762 -0.070 0.000 1.382 230 H HN 0.492 nan 8.280 nan 0.000 0.577 231 F N 0.241 119.975 119.950 -0.361 0.000 2.505 231 F HA 0.128 4.654 4.527 -0.001 0.000 0.383 231 F C -0.739 174.849 175.800 -0.354 0.000 1.509 231 F CA -0.700 56.992 58.000 -0.513 0.000 1.101 231 F CB -0.338 38.580 39.000 -0.137 0.000 1.367 231 F HN -0.112 nan 8.300 nan 0.000 0.523 232 Y N -0.611 119.636 120.300 -0.089 0.000 3.589 232 Y HA -0.166 4.383 4.550 -0.002 0.000 0.218 232 Y C 1.419 177.311 175.900 -0.014 0.000 1.234 232 Y CA 0.472 58.511 58.100 -0.102 0.000 1.576 232 Y CB -1.831 36.484 38.460 -0.242 0.000 1.487 232 Y HN 0.660 nan 8.280 nan 0.000 0.616 233 G N -1.517 107.330 108.800 0.079 0.000 2.143 233 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.249 233 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.249 233 G C -0.046 174.916 174.900 0.103 0.000 0.981 233 G CA 0.250 45.398 45.100 0.080 0.000 0.665 233 G HN 0.443 nan 8.290 nan 0.000 0.528 234 Q N -0.071 119.835 119.800 0.177 0.000 2.306 234 Q HA 0.514 4.852 4.340 -0.002 0.000 0.265 234 Q C -0.235 175.848 176.000 0.137 0.000 1.022 234 Q CA -0.484 55.439 55.803 0.201 0.000 0.853 234 Q CB 1.480 30.433 28.738 0.359 0.000 1.327 234 Q HN 0.568 nan 8.270 nan 0.000 0.449 235 E N 1.231 121.460 120.200 0.048 0.000 2.561 235 E HA 0.282 4.631 4.350 -0.002 0.000 0.225 235 E C -0.671 175.888 176.600 -0.069 0.000 1.035 235 E CA -0.229 56.154 56.400 -0.028 0.000 0.904 235 E CB 1.016 30.697 29.700 -0.031 0.000 1.291 235 E HN 0.170 nan 8.360 nan 0.000 0.444 236 V N 3.934 123.754 119.914 -0.156 0.000 2.583 236 V HA 0.172 4.291 4.120 -0.002 0.000 0.287 236 V C -1.767 174.204 176.094 -0.206 0.000 1.051 236 V CA -1.822 60.347 62.300 -0.219 0.000 1.010 236 V CB 0.653 32.208 31.823 -0.447 0.000 0.988 236 V HN 0.430 nan 8.190 nan 0.000 0.478 237 P HA 0.198 nan 4.420 nan 0.000 0.268 237 P C -0.677 176.555 177.300 -0.113 0.000 1.205 237 P CA 0.111 63.144 63.100 -0.112 0.000 0.771 237 P CB 0.698 32.342 31.700 -0.093 0.000 0.858 238 I N 2.066 122.600 120.570 -0.060 0.000 2.330 238 I HA 0.351 4.519 4.170 -0.002 0.000 0.286 238 I C 0.828 176.987 176.117 0.069 0.000 1.025 238 I CA -0.441 60.863 61.300 0.007 0.000 1.197 238 I CB 1.170 39.197 38.000 0.043 0.000 1.358 238 I HN 0.327 nan 8.210 nan 0.000 0.467 239 A N 5.045 127.879 122.820 0.024 0.000 2.616 239 A HA 0.714 5.032 4.320 -0.002 0.000 0.294 239 A C 0.467 178.061 177.584 0.016 0.000 1.091 239 A CA -0.306 51.684 52.037 -0.078 0.000 0.971 239 A CB 0.279 19.214 19.000 -0.109 0.000 1.222 239 A HN 0.739 nan 8.150 nan 0.000 0.521 240 G N -0.470 108.467 108.800 0.229 0.000 2.728 240 G HA2 0.536 4.495 3.960 -0.002 0.000 0.294 240 G HA3 0.536 4.495 3.960 -0.002 0.000 0.294 240 G C -1.677 173.346 174.900 0.206 0.000 1.398 240 G CA -0.305 44.918 45.100 0.205 0.000 1.183 240 G HN 0.504 nan 8.290 nan 0.000 0.578 241 V N 0.396 120.403 119.914 0.155 0.000 2.851 241 V HA 0.953 5.072 4.120 -0.002 0.000 0.307 241 V C -0.092 175.989 176.094 -0.021 0.000 1.129 241 V CA 0.024 62.319 62.300 -0.007 0.000 0.932 241 V CB 1.543 33.231 31.823 -0.224 0.000 1.024 241 V HN 1.999 nan 8.190 nan 0.000 0.426 242 A N 2.525 125.329 122.820 -0.028 0.000 2.581 242 A HA 0.759 5.078 4.320 -0.002 0.000 0.294 242 A C -0.201 177.379 177.584 -0.006 0.000 1.035 242 A CA -0.042 51.985 52.037 -0.017 0.000 0.684 242 A CB 0.889 19.878 19.000 -0.019 0.000 1.282 242 A HN 1.691 nan 8.150 nan 0.000 0.417 243 G N 0.781 109.578 108.800 -0.005 0.000 2.414 243 G HA2 0.353 4.312 3.960 -0.002 0.000 0.236 243 G HA3 0.353 4.312 3.960 -0.002 0.000 0.236 243 G C 0.617 175.508 174.900 -0.015 0.000 1.293 243 G CA 0.654 45.744 45.100 -0.017 0.000 0.869 243 G HN 1.086 nan 8.290 nan 0.000 0.556 244 D N 1.584 121.969 120.400 -0.025 0.000 2.157 244 D HA -0.255 4.384 4.640 -0.002 0.000 0.191 244 D C 1.856 178.146 176.300 -0.017 0.000 1.004 244 D CA 1.740 55.736 54.000 -0.007 0.000 0.854 244 D CB -0.171 40.625 40.800 -0.006 0.000 0.936 244 D HN 0.398 nan 8.370 nan 0.000 0.446 245 Q N -0.083 119.664 119.800 -0.089 0.000 2.123 245 Q HA -0.078 4.260 4.340 -0.002 0.000 0.199 245 Q C 2.356 178.372 176.000 0.027 0.000 0.966 245 Q CA 1.227 56.998 55.803 -0.055 0.000 0.845 245 Q CB -0.480 28.165 28.738 -0.155 0.000 0.907 245 Q HN 0.458 nan 8.270 nan 0.000 0.439 246 Q N 0.750 120.574 119.800 0.039 0.000 2.084 246 Q HA -0.034 4.305 4.340 -0.002 0.000 0.202 246 Q C 2.046 178.122 176.000 0.126 0.000 0.978 246 Q CA 1.791 57.663 55.803 0.115 0.000 0.844 246 Q CB -0.519 28.294 28.738 0.125 0.000 0.898 246 Q HN 0.443 nan 8.270 nan 0.000 0.426 247 A N 0.392 123.256 122.820 0.074 0.000 1.972 247 A HA -0.106 4.213 4.320 -0.002 0.000 0.219 247 A C 2.201 179.854 177.584 0.115 0.000 1.169 247 A CA 1.656 53.737 52.037 0.073 0.000 0.635 247 A CB -0.843 18.186 19.000 0.048 0.000 0.810 247 A HN 0.383 nan 8.150 nan 0.000 0.446 248 A N -0.641 122.233 122.820 0.091 0.000 1.929 248 A HA 0.059 4.378 4.320 -0.002 0.000 0.216 248 A C 2.080 179.700 177.584 0.061 0.000 1.176 248 A CA 1.511 53.599 52.037 0.084 0.000 0.628 248 A CB -0.538 18.510 19.000 0.080 0.000 0.816 248 A HN 0.585 nan 8.150 nan 0.000 0.444 249 L N -1.546 119.721 121.223 0.074 0.000 2.012 249 L HA -0.113 4.226 4.340 -0.002 0.000 0.210 249 L C 2.198 179.047 176.870 -0.035 0.000 1.073 249 L CA 2.179 57.044 54.840 0.040 0.000 0.748 249 L CB -0.744 41.390 42.059 0.125 0.000 0.891 249 L HN 0.419 nan 8.230 nan 0.000 0.431 250 F N 0.240 120.110 119.950 -0.132 0.000 2.102 250 F HA -0.099 4.427 4.527 -0.002 0.000 0.298 250 F C 2.274 177.932 175.800 -0.236 0.000 1.105 250 F CA 1.835 59.707 58.000 -0.213 0.000 1.239 250 F CB -0.910 37.970 39.000 -0.199 0.000 0.991 250 F HN 0.159 nan 8.300 nan 0.000 0.474 251 G N -0.901 107.925 108.800 0.043 0.000 2.462 251 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.220 251 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.220 251 G C 1.408 176.231 174.900 -0.127 0.000 1.121 251 G CA 0.549 45.620 45.100 -0.048 0.000 0.758 251 G HN 0.345 nan 8.290 nan 0.000 0.559 252 Q N -0.609 119.091 119.800 -0.167 0.000 2.403 252 Q HA 0.347 4.686 4.340 -0.002 0.000 0.203 252 Q C 1.546 177.268 176.000 -0.464 0.000 0.932 252 Q CA 0.570 56.255 55.803 -0.198 0.000 0.945 252 Q CB 0.296 28.946 28.738 -0.146 0.000 1.045 252 Q HN 0.608 nan 8.270 nan 0.000 0.511 253 A N -0.336 122.046 122.820 -0.730 0.000 3.061 253 A HA -0.170 4.149 4.320 -0.002 0.000 0.244 253 A C 0.304 177.044 177.584 -1.407 0.000 1.357 253 A CA 0.449 51.733 52.037 -1.254 0.000 0.889 253 A CB -2.421 16.210 19.000 -0.615 0.000 1.092 253 A HN 0.387 nan 8.150 nan 0.000 0.694 254 C N 0.622 119.283 119.300 -1.065 0.000 2.183 254 C HA 0.508 4.967 4.460 -0.002 0.000 0.409 254 C C 1.369 176.090 174.990 -0.449 0.000 1.022 254 C CA 0.290 58.957 59.018 -0.585 0.000 1.367 254 C CB -2.272 25.302 27.740 -0.277 0.000 1.650 254 C HN 0.529 nan 8.230 nan 0.000 0.499 255 F N 1.024 120.937 119.950 -0.062 0.000 2.746 255 F HA 0.126 4.652 4.527 -0.002 0.000 0.297 255 F C 1.492 177.342 175.800 0.083 0.000 1.113 255 F CA 0.032 58.055 58.000 0.038 0.000 1.367 255 F CB 0.298 39.256 39.000 -0.070 0.000 1.111 255 F HN 0.484 nan 8.300 nan 0.000 0.590 256 E N 0.224 120.512 120.200 0.147 0.000 2.459 256 E HA 0.333 4.682 4.350 -0.002 0.000 0.275 256 E C -0.728 175.897 176.600 0.042 0.000 0.987 256 E CA -1.119 55.339 56.400 0.097 0.000 0.828 256 E CB 0.697 30.446 29.700 0.082 0.000 1.428 256 E HN 0.015 nan 8.360 nan 0.000 0.457 257 R N -0.337 120.183 120.500 0.033 0.000 2.538 257 R HA 0.231 4.570 4.340 -0.002 0.000 0.273 257 R C 1.096 177.396 176.300 0.000 0.000 0.967 257 R CA 1.932 58.042 56.100 0.017 0.000 1.101 257 R CB -0.337 29.972 30.300 0.015 0.000 0.908 257 R HN 0.953 nan 8.270 nan 0.000 0.411 258 G N 1.875 110.672 108.800 -0.006 0.000 2.358 258 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.224 258 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.224 258 G C -0.389 174.489 174.900 -0.037 0.000 1.073 258 G CA 0.035 45.123 45.100 -0.020 0.000 0.635 258 G HN 0.647 nan 8.290 nan 0.000 0.509 259 D N 1.487 121.858 120.400 -0.048 0.000 2.451 259 D HA 0.429 5.068 4.640 -0.002 0.000 0.254 259 D C 0.280 176.540 176.300 -0.066 0.000 1.204 259 D CA 0.599 54.547 54.000 -0.087 0.000 0.896 259 D CB 1.473 42.197 40.800 -0.126 0.000 1.136 259 D HN 0.360 nan 8.370 nan 0.000 0.499 260 V N 2.961 122.831 119.914 -0.073 0.000 2.656 260 V HA 0.532 4.650 4.120 -0.002 0.000 0.307 260 V C -0.044 176.017 176.094 -0.055 0.000 1.051 260 V CA -0.852 61.420 62.300 -0.046 0.000 0.893 260 V CB 2.181 33.984 31.823 -0.032 0.000 0.999 260 V HN 0.547 nan 8.190 nan 0.000 0.426 261 K N 2.366 122.747 120.400 -0.031 0.000 2.482 261 K HA 0.740 5.058 4.320 -0.002 0.000 0.257 261 K C -1.168 175.428 176.600 -0.006 0.000 0.969 261 K CA -0.771 55.506 56.287 -0.017 0.000 0.842 261 K CB 1.714 34.203 32.500 -0.018 0.000 1.359 261 K HN 0.431 nan 8.250 nan 0.000 0.441 262 N N -0.258 118.440 118.700 -0.003 0.000 2.295 262 N HA 0.498 5.237 4.740 -0.002 0.000 0.293 262 N C -1.673 173.786 175.510 -0.085 0.000 1.040 262 N CA -0.365 52.635 53.050 -0.083 0.000 0.840 262 N CB 2.266 40.657 38.487 -0.161 0.000 1.468 262 N HN 0.696 nan 8.380 nan 0.000 0.478 263 T N 2.901 117.385 114.554 -0.117 0.000 2.823 263 T HA 0.375 4.724 4.350 -0.002 0.000 0.279 263 T C -1.006 173.615 174.700 -0.131 0.000 0.998 263 T CA -0.152 61.946 62.100 -0.003 0.000 0.994 263 T CB 0.416 69.355 68.868 0.119 0.000 0.960 263 T HN 0.292 nan 8.240 nan 0.000 0.448 264 Y N 1.794 122.163 120.300 0.114 0.000 2.587 264 Y HA 0.586 5.135 4.550 -0.002 0.000 0.328 264 Y C 0.849 176.833 175.900 0.141 0.000 0.980 264 Y CA -0.628 57.533 58.100 0.101 0.000 1.272 264 Y CB 1.007 39.502 38.460 0.057 0.000 1.094 264 Y HN 0.889 nan 8.280 nan 0.000 0.503 265 G N 0.301 109.277 108.800 0.293 0.000 3.286 265 G HA2 0.121 4.079 3.960 -0.002 0.000 0.166 265 G HA3 0.121 4.079 3.960 -0.002 0.000 0.166 265 G C 0.847 175.934 174.900 0.312 0.000 1.155 265 G CA -0.230 45.045 45.100 0.290 0.000 0.871 265 G HN 0.302 nan 8.290 nan 0.000 0.637 266 T N 0.349 115.125 114.554 0.371 0.000 2.684 266 T HA 0.086 4.435 4.350 -0.002 0.000 0.267 266 T C 1.237 176.208 174.700 0.451 0.000 1.036 266 T CA 1.703 64.052 62.100 0.414 0.000 1.148 266 T CB -0.512 68.677 68.868 0.535 0.000 0.863 266 T HN 0.653 nan 8.240 nan 0.000 0.436 267 G N -0.825 108.304 108.800 0.548 0.000 2.597 267 G HA2 0.588 4.547 3.960 -0.002 0.000 0.317 267 G HA3 0.588 4.547 3.960 -0.002 0.000 0.317 267 G C -0.523 174.354 174.900 -0.039 0.000 1.230 267 G CA -0.405 44.873 45.100 0.297 0.000 0.996 267 G HN 0.410 nan 8.290 nan 0.000 0.490 268 G N -1.074 107.412 108.800 -0.523 0.000 2.368 268 G HA2 0.642 4.601 3.960 -0.002 0.000 0.320 268 G HA3 0.642 4.601 3.960 -0.002 0.000 0.320 268 G C -1.260 173.094 174.900 -0.911 0.000 1.158 268 G CA -0.363 44.429 45.100 -0.514 0.000 0.912 268 G HN 0.323 nan 8.290 nan 0.000 0.456 274 T N 0.284 114.866 114.554 0.047 0.000 3.215 274 T HA 0.511 4.860 4.350 -0.002 0.000 0.271 274 T C 0.993 175.724 174.700 0.051 0.000 1.012 274 T CA 0.677 62.804 62.100 0.045 0.000 0.899 274 T CB -0.290 68.606 68.868 0.047 0.000 1.089 274 T HN 1.002 nan 8.240 nan 0.000 0.552 275 G N 3.005 111.830 108.800 0.041 0.000 2.547 275 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.271 275 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.271 275 G C 0.226 175.163 174.900 0.062 0.000 1.209 275 G CA 0.328 45.450 45.100 0.036 0.000 0.959 275 G HN 0.670 nan 8.290 nan 0.000 0.563 276 D N 0.330 120.778 120.400 0.079 0.000 2.340 276 D HA 0.159 4.798 4.640 -0.002 0.000 0.217 276 D C 0.585 177.022 176.300 0.228 0.000 1.081 276 D CA 0.358 54.450 54.000 0.153 0.000 0.842 276 D CB 0.222 41.062 40.800 0.066 0.000 0.934 276 D HN 0.393 nan 8.370 nan 0.000 0.511 277 K N 1.316 121.786 120.400 0.117 0.000 2.300 277 K HA 0.507 4.826 4.320 -0.002 0.000 0.264 277 K C -0.387 176.134 176.600 -0.131 0.000 1.083 277 K CA -0.593 55.687 56.287 -0.012 0.000 0.958 277 K CB 1.605 34.099 32.500 -0.010 0.000 1.318 277 K HN 0.117 nan 8.250 nan 0.000 0.448 278 A N 3.010 125.520 122.820 -0.517 0.000 2.522 278 A HA 0.161 4.480 4.320 -0.002 0.000 0.256 278 A C 0.232 177.664 177.584 -0.253 0.000 1.086 278 A CA -0.148 51.480 52.037 -0.682 0.000 0.763 278 A CB 0.100 18.326 19.000 -1.290 0.000 1.024 278 A HN 0.410 nan 8.150 nan 0.000 0.502 279 V N 4.337 124.175 119.914 -0.127 0.000 2.435 279 V HA 0.270 4.389 4.120 -0.002 0.000 0.290 279 V C 0.529 176.607 176.094 -0.026 0.000 1.030 279 V CA -0.720 61.547 62.300 -0.055 0.000 0.881 279 V CB 1.516 33.327 31.823 -0.021 0.000 0.983 279 V HN 0.946 nan 8.190 nan 0.000 0.445 280 K N 2.966 123.357 120.400 -0.015 0.000 2.276 280 K HA 0.367 4.686 4.320 -0.002 0.000 0.283 280 K C 0.075 176.682 176.600 0.012 0.000 1.044 280 K CA -0.019 56.270 56.287 0.003 0.000 0.944 280 K CB 0.944 33.443 32.500 -0.003 0.000 1.012 280 K HN 0.720 nan 8.250 nan 0.000 0.472 281 S N 2.885 118.601 115.700 0.026 0.000 2.541 281 S HA 0.190 4.659 4.470 -0.002 0.000 0.283 281 S C -0.014 174.608 174.600 0.035 0.000 1.196 281 S CA -0.571 57.652 58.200 0.038 0.000 1.062 281 S CB 0.960 64.199 63.200 0.066 0.000 1.009 281 S HN 0.712 nan 8.310 nan 0.000 0.502 282 E N 2.396 122.617 120.200 0.035 0.000 2.630 282 E HA 0.228 4.577 4.350 -0.002 0.000 0.218 282 E C -0.188 176.437 176.600 0.042 0.000 0.977 282 E CA 0.050 56.469 56.400 0.032 0.000 1.038 282 E CB 0.845 30.557 29.700 0.020 0.000 1.051 282 E HN 0.465 nan 8.360 nan 0.000 0.487 283 S N -0.235 115.497 115.700 0.054 0.000 2.843 283 S HA 0.346 4.815 4.470 -0.002 0.000 0.249 283 S C 0.936 175.589 174.600 0.089 0.000 1.047 283 S CA 0.121 58.352 58.200 0.052 0.000 1.042 283 S CB 1.143 64.362 63.200 0.031 0.000 0.936 283 S HN 0.357 nan 8.310 nan 0.000 0.531 284 G N 1.779 110.672 108.800 0.155 0.000 2.149 284 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.235 284 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.235 284 G C -0.126 175.035 174.900 0.436 0.000 1.018 284 G CA -0.126 45.175 45.100 0.335 0.000 0.728 284 G HN 0.467 nan 8.290 nan 0.000 0.508 285 L N -0.577 120.800 121.223 0.257 0.000 2.358 285 L HA 0.727 5.065 4.340 -0.002 0.000 0.268 285 L C 0.909 177.923 176.870 0.239 0.000 1.032 285 L CA -1.184 53.808 54.840 0.253 0.000 0.805 285 L CB 1.293 43.440 42.059 0.147 0.000 1.253 285 L HN 0.009 nan 8.230 nan 0.000 0.452 286 L N 0.474 121.854 121.223 0.262 0.000 2.322 286 L HA 0.430 4.769 4.340 -0.002 0.000 0.279 286 L C -0.341 176.612 176.870 0.139 0.000 1.036 286 L CA -0.444 54.520 54.840 0.206 0.000 0.807 286 L CB 1.819 44.074 42.059 0.326 0.000 1.226 286 L HN 0.555 nan 8.230 nan 0.000 0.433 287 T N 1.040 115.642 114.554 0.081 0.000 2.749 287 T HA 0.456 4.805 4.350 -0.002 0.000 0.287 287 T C -0.072 174.667 174.700 0.066 0.000 0.970 287 T CA -0.248 61.886 62.100 0.057 0.000 0.980 287 T CB 1.412 70.284 68.868 0.007 0.000 0.924 287 T HN 0.632 nan 8.240 nan 0.000 0.456 288 T N 2.269 116.890 114.554 0.113 0.000 2.816 288 T HA 0.587 4.936 4.350 -0.002 0.000 0.299 288 T C -0.938 173.853 174.700 0.152 0.000 1.230 288 T CA -0.721 61.452 62.100 0.122 0.000 1.007 288 T CB 0.874 69.808 68.868 0.111 0.000 1.289 288 T HN 0.466 nan 8.240 nan 0.000 0.508 289 I N 2.860 123.474 120.570 0.074 0.000 2.416 289 I HA 0.336 4.505 4.170 -0.002 0.000 0.288 289 I C 1.462 177.550 176.117 -0.048 0.000 1.051 289 I CA -0.375 60.876 61.300 -0.081 0.000 1.375 289 I CB 1.453 39.373 38.000 -0.134 0.000 1.407 289 I HN 0.854 nan 8.210 nan 0.000 0.516 290 A N 7.315 130.060 122.820 -0.125 0.000 1.855 290 A HA 0.066 4.385 4.320 -0.002 0.000 0.213 290 A C 0.260 177.925 177.584 0.136 0.000 1.195 290 A CA 1.292 53.318 52.037 -0.018 0.000 0.610 290 A CB 0.034 18.942 19.000 -0.153 0.000 0.837 290 A HN 0.796 nan 8.150 nan 0.000 0.444 291 Y N -5.138 115.161 120.300 -0.000 0.000 2.786 291 Y HA 0.519 5.068 4.550 -0.002 0.000 0.365 291 Y C -0.422 175.493 175.900 0.025 0.000 1.171 291 Y CA -1.186 56.930 58.100 0.026 0.000 1.214 291 Y CB 0.176 38.663 38.460 0.045 0.000 1.411 291 Y HN 0.295 nan 8.280 nan 0.000 0.485 292 G N 1.755 110.740 108.800 0.310 0.000 2.487 292 G HA2 0.683 4.642 3.960 -0.002 0.000 0.314 292 G HA3 0.683 4.642 3.960 -0.002 0.000 0.314 292 G C -1.745 173.315 174.900 0.267 0.000 1.267 292 G CA -0.953 44.313 45.100 0.277 0.000 0.937 292 G HN 1.055 nan 8.290 nan 0.000 0.481 293 I N 1.551 122.259 120.570 0.229 0.000 2.753 293 I HA 0.262 4.431 4.170 -0.002 0.000 0.291 293 I C -1.113 175.087 176.117 0.138 0.000 1.425 293 I CA -0.604 60.806 61.300 0.185 0.000 1.039 293 I CB 2.097 40.235 38.000 0.229 0.000 1.349 293 I HN 0.575 nan 8.210 nan 0.000 0.430 294 D N 5.441 125.899 120.400 0.096 0.000 2.772 294 D HA -0.177 4.462 4.640 -0.002 0.000 0.233 294 D C 0.943 177.277 176.300 0.057 0.000 1.143 294 D CA 1.725 55.766 54.000 0.068 0.000 0.700 294 D CB -1.247 39.593 40.800 0.066 0.000 1.076 294 D HN 1.310 nan 8.370 nan 0.000 0.430 295 G N -1.381 107.456 108.800 0.061 0.000 2.212 295 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.266 295 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.266 295 G C 0.488 175.403 174.900 0.024 0.000 0.978 295 G CA 0.905 46.033 45.100 0.046 0.000 0.632 295 G HN 0.389 nan 8.290 nan 0.000 0.537 296 K N -0.139 120.277 120.400 0.026 0.000 2.095 296 K HA 0.720 5.039 4.320 -0.002 0.000 0.252 296 K C -0.248 176.305 176.600 -0.078 0.000 0.977 296 K CA -0.587 55.691 56.287 -0.016 0.000 0.900 296 K CB 2.143 34.652 32.500 0.014 0.000 1.060 296 K HN 0.209 nan 8.250 nan 0.000 0.449 297 V N 2.728 122.528 119.914 -0.190 0.000 2.445 297 V HA 0.195 4.314 4.120 -0.002 0.000 0.283 297 V C -0.362 175.449 176.094 -0.472 0.000 1.014 297 V CA -0.882 61.191 62.300 -0.379 0.000 0.852 297 V CB 1.092 32.566 31.823 -0.581 0.000 1.021 297 V HN 0.677 nan 8.190 nan 0.000 0.435 298 N N 3.351 121.734 118.700 -0.529 0.000 2.529 298 N HA 0.520 5.259 4.740 -0.002 0.000 0.278 298 N C -1.166 174.022 175.510 -0.537 0.000 1.146 298 N CA -0.370 52.374 53.050 -0.511 0.000 0.980 298 N CB 1.432 39.485 38.487 -0.724 0.000 1.124 298 N HN 0.476 nan 8.380 nan 0.000 0.458 299 Y N 0.463 120.647 120.300 -0.194 0.000 2.654 299 Y HA 0.699 5.248 4.550 -0.002 0.000 0.328 299 Y C 0.330 176.179 175.900 -0.086 0.000 1.174 299 Y CA -0.579 57.444 58.100 -0.128 0.000 1.293 299 Y CB 1.325 39.726 38.460 -0.098 0.000 1.464 299 Y HN 0.511 nan 8.280 nan 0.000 0.559 300 A N 0.196 123.113 122.820 0.162 0.000 2.597 300 A HA 0.596 4.915 4.320 -0.002 0.000 0.292 300 A C -2.192 175.453 177.584 0.102 0.000 1.057 300 A CA -0.769 51.329 52.037 0.101 0.000 0.674 300 A CB 0.742 19.793 19.000 0.086 0.000 1.278 300 A HN 0.614 nan 8.150 nan 0.000 0.416 301 L N 1.250 122.524 121.223 0.085 0.000 2.307 301 L HA 0.640 4.978 4.340 -0.002 0.000 0.282 301 L C 0.277 177.213 176.870 0.109 0.000 1.051 301 L CA -0.246 54.648 54.840 0.089 0.000 0.804 301 L CB 1.640 43.739 42.059 0.067 0.000 1.197 301 L HN 0.894 nan 8.230 nan 0.000 0.431 302 E N 1.669 121.957 120.200 0.146 0.000 2.266 302 E HA 0.606 4.955 4.350 -0.002 0.000 0.268 302 E C -0.910 175.808 176.600 0.197 0.000 0.879 302 E CA -0.770 55.737 56.400 0.179 0.000 0.762 302 E CB 2.224 32.063 29.700 0.232 0.000 1.199 302 E HN 0.658 nan 8.360 nan 0.000 0.422 303 G N 1.651 110.540 108.800 0.148 0.000 2.487 303 G HA2 0.447 4.405 3.960 -0.002 0.000 0.314 303 G HA3 0.447 4.405 3.960 -0.002 0.000 0.314 303 G C -1.027 173.883 174.900 0.016 0.000 1.267 303 G CA -0.458 44.687 45.100 0.075 0.000 0.937 303 G HN 0.335 nan 8.290 nan 0.000 0.481 304 S N 1.388 117.042 115.700 -0.076 0.000 2.449 304 S HA 0.545 5.014 4.470 -0.002 0.000 0.310 304 S C -0.273 173.886 174.600 -0.735 0.000 1.096 304 S CA -0.385 57.625 58.200 -0.317 0.000 1.095 304 S CB 1.181 64.377 63.200 -0.007 0.000 1.007 304 S HN 0.492 nan 8.310 nan 0.000 0.474 305 I N 3.789 123.834 120.570 -0.874 0.000 2.382 305 I HA 0.284 4.452 4.170 -0.002 0.000 0.286 305 I C 0.060 175.827 176.117 -0.583 0.000 1.002 305 I CA -0.544 60.345 61.300 -0.685 0.000 1.135 305 I CB 1.128 38.865 38.000 -0.438 0.000 1.288 305 I HN 0.558 nan 8.210 nan 0.000 0.448 306 F N 5.139 124.970 119.950 -0.199 0.000 2.075 306 F HA -0.062 4.464 4.527 -0.002 0.000 0.297 306 F C 1.159 177.068 175.800 0.182 0.000 1.113 306 F CA 0.868 58.922 58.000 0.089 0.000 1.218 306 F CB -0.337 38.682 39.000 0.032 0.000 0.984 306 F HN 0.093 nan 8.300 nan 0.000 0.472 307 V N -0.251 119.812 119.914 0.249 0.000 2.357 307 V HA 0.393 4.512 4.120 -0.002 0.000 0.284 307 V C 0.242 176.422 176.094 0.143 0.000 1.018 307 V CA -0.147 62.288 62.300 0.226 0.000 0.841 307 V CB 1.193 33.148 31.823 0.220 0.000 0.991 307 V HN 0.217 nan 8.190 nan 0.000 0.437 308 S N 4.058 119.863 115.700 0.176 0.000 3.420 308 S HA 0.276 4.745 4.470 -0.002 0.000 0.173 308 S C 1.846 176.568 174.600 0.204 0.000 0.800 308 S CA 0.837 59.132 58.200 0.159 0.000 0.963 308 S CB 0.111 63.391 63.200 0.133 0.000 1.236 308 S HN 0.812 nan 8.310 nan 0.000 0.827 309 G N 0.944 109.880 108.800 0.227 0.000 2.443 309 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.219 309 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.219 309 G C 1.579 176.611 174.900 0.219 0.000 1.131 309 G CA 1.272 46.498 45.100 0.211 0.000 0.775 309 G HN 0.590 nan 8.290 nan 0.000 0.547 310 S N 0.676 116.523 115.700 0.245 0.000 2.440 310 S HA 0.015 4.484 4.470 -0.002 0.000 0.238 310 S C 2.537 177.306 174.600 0.282 0.000 1.010 310 S CA 1.562 59.908 58.200 0.244 0.000 0.972 310 S CB -0.294 63.058 63.200 0.254 0.000 0.774 310 S HN 0.529 nan 8.310 nan 0.000 0.501 311 A N 0.696 123.713 122.820 0.329 0.000 2.016 311 A HA 0.211 4.530 4.320 -0.002 0.000 0.217 311 A C 1.996 179.833 177.584 0.421 0.000 1.162 311 A CA 0.827 53.137 52.037 0.454 0.000 0.662 311 A CB -0.414 18.804 19.000 0.362 0.000 0.812 311 A HN 0.640 nan 8.150 nan 0.000 0.450 312 I N -1.032 119.706 120.570 0.280 0.000 2.333 312 I HA -0.207 3.962 4.170 -0.002 0.000 0.246 312 I C 2.668 178.891 176.117 0.176 0.000 1.106 312 I CA 1.311 62.736 61.300 0.208 0.000 1.411 312 I CB -0.361 37.729 38.000 0.150 0.000 1.082 312 I HN 0.457 nan 8.210 nan 0.000 0.420 313 Q N 0.539 120.446 119.800 0.179 0.000 2.152 313 Q HA -0.289 4.049 4.340 -0.002 0.000 0.206 313 Q C 2.156 178.242 176.000 0.144 0.000 0.985 313 Q CA 2.201 58.086 55.803 0.136 0.000 0.863 313 Q CB -0.239 28.582 28.738 0.139 0.000 0.904 313 Q HN 0.571 nan 8.270 nan 0.000 0.422 314 W N 0.864 122.157 121.300 -0.011 0.000 2.355 314 W HA -0.165 4.494 4.660 -0.002 0.000 0.309 314 W C 1.562 178.063 176.519 -0.031 0.000 1.206 314 W CA 1.399 58.693 57.345 -0.086 0.000 1.284 314 W CB -0.441 28.904 29.460 -0.191 0.000 1.145 314 W HN 0.134 nan 8.180 nan 0.000 0.502 315 L N 0.368 121.572 121.223 -0.032 0.000 2.129 315 L HA -0.246 4.093 4.340 -0.002 0.000 0.212 315 L C 2.781 179.500 176.870 -0.252 0.000 1.087 315 L CA 1.852 56.550 54.840 -0.237 0.000 0.757 315 L CB -0.889 41.162 42.059 -0.014 0.000 0.896 315 L HN 0.073 nan 8.230 nan 0.000 0.434 316 R N -0.002 120.421 120.500 -0.128 0.000 2.052 316 R HA -0.108 4.231 4.340 -0.002 0.000 0.224 316 R C 1.767 177.990 176.300 -0.128 0.000 1.149 316 R CA 1.610 57.648 56.100 -0.102 0.000 0.962 316 R CB 0.048 30.330 30.300 -0.029 0.000 0.856 316 R HN 0.235 nan 8.270 nan 0.000 0.433 317 D N -0.868 119.473 120.400 -0.099 0.000 2.213 317 D HA 0.013 4.652 4.640 -0.002 0.000 0.205 317 D C 1.557 177.778 176.300 -0.133 0.000 0.961 317 D CA 1.189 55.143 54.000 -0.077 0.000 0.853 317 D CB -0.164 40.637 40.800 0.001 0.000 0.967 317 D HN 0.459 nan 8.370 nan 0.000 0.496 318 G N 0.515 109.149 108.800 -0.277 0.000 2.439 318 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.212 318 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.212 318 G C 1.484 176.105 174.900 -0.465 0.000 1.199 318 G CA 0.021 44.889 45.100 -0.386 0.000 0.807 318 G HN 0.212 nan 8.290 nan 0.000 0.537 319 L N -0.058 120.734 121.223 -0.717 0.000 2.567 319 L HA 0.297 4.636 4.340 -0.002 0.000 0.225 319 L C 0.934 177.590 176.870 -0.357 0.000 1.119 319 L CA -0.260 54.252 54.840 -0.547 0.000 0.871 319 L CB -0.179 41.445 42.059 -0.724 0.000 1.036 319 L HN 0.186 nan 8.230 nan 0.000 0.459 323 N N 1.654 120.360 118.700 0.010 0.000 2.368 323 N HA 0.088 4.826 4.740 -0.002 0.000 0.176 323 N C 0.220 175.734 175.510 0.006 0.000 1.021 323 N CA 0.961 54.012 53.050 0.000 0.000 0.888 323 N CB 0.108 38.600 38.487 0.007 0.000 0.995 323 N HN 0.873 nan 8.380 nan 0.000 0.437 324 S N -2.703 113.010 115.700 0.023 0.000 2.556 324 S HA 0.767 5.236 4.470 -0.002 0.000 0.271 324 S C 0.651 175.276 174.600 0.042 0.000 1.135 324 S CA -0.475 57.741 58.200 0.028 0.000 0.858 324 S CB 1.556 64.771 63.200 0.026 0.000 1.114 324 S HN 0.236 nan 8.310 nan 0.000 0.468 325 A N 1.421 124.269 122.820 0.047 0.000 1.917 325 A HA 0.068 4.386 4.320 -0.002 0.000 0.219 325 A C -0.607 177.014 177.584 0.062 0.000 1.182 325 A CA 2.042 54.116 52.037 0.060 0.000 0.633 325 A CB -2.210 16.831 19.000 0.068 0.000 0.819 325 A HN 0.711 nan 8.150 nan 0.000 0.448 326 P HA -0.163 nan 4.420 nan 0.000 0.220 326 P C 1.566 178.896 177.300 0.050 0.000 1.148 326 P CA 1.417 64.545 63.100 0.047 0.000 0.803 326 P CB -0.105 31.616 31.700 0.036 0.000 0.782 327 Q N 0.330 120.168 119.800 0.063 0.000 2.170 327 Q HA -0.168 4.170 4.340 -0.002 0.000 0.203 327 Q C 2.095 178.193 176.000 0.163 0.000 0.976 327 Q CA 2.039 57.894 55.803 0.088 0.000 0.858 327 Q CB -0.391 28.419 28.738 0.120 0.000 0.907 327 Q HN 0.288 nan 8.270 nan 0.000 0.433 328 S N 0.268 116.057 115.700 0.149 0.000 2.372 328 S HA -0.311 4.157 4.470 -0.002 0.000 0.227 328 S C 1.762 176.429 174.600 0.111 0.000 1.044 328 S CA 1.615 59.908 58.200 0.156 0.000 1.050 328 S CB -0.600 62.650 63.200 0.083 0.000 0.901 328 S HN 0.572 nan 8.310 nan 0.000 0.447 329 E N 1.070 121.297 120.200 0.045 0.000 2.097 329 E HA -0.199 4.150 4.350 -0.002 0.000 0.196 329 E C 2.141 178.695 176.600 -0.078 0.000 1.000 329 E CA 1.295 57.681 56.400 -0.024 0.000 0.804 329 E CB -0.457 29.256 29.700 0.022 0.000 0.740 329 E HN 0.614 nan 8.360 nan 0.000 0.454 330 S N -0.913 114.749 115.700 -0.063 0.000 2.359 330 S HA -0.225 4.243 4.470 -0.002 0.000 0.223 330 S C 1.790 176.262 174.600 -0.214 0.000 1.039 330 S CA 1.670 59.770 58.200 -0.166 0.000 1.042 330 S CB -0.475 62.569 63.200 -0.261 0.000 0.915 330 S HN 0.457 nan 8.310 nan 0.000 0.439 331 Y N 1.614 121.837 120.300 -0.127 0.000 2.114 331 Y HA -0.024 4.525 4.550 -0.002 0.000 0.284 331 Y C 2.907 178.669 175.900 -0.229 0.000 1.143 331 Y CA 1.046 59.059 58.100 -0.146 0.000 1.135 331 Y CB -1.069 37.325 38.460 -0.110 0.000 0.980 331 Y HN 0.366 nan 8.280 nan 0.000 0.499 332 A N -0.049 122.689 122.820 -0.136 0.000 1.948 332 A HA -0.264 4.055 4.320 -0.002 0.000 0.220 332 A C 2.155 179.415 177.584 -0.541 0.000 1.177 332 A CA 2.485 54.242 52.037 -0.467 0.000 0.636 332 A CB -1.466 17.041 19.000 -0.821 0.000 0.815 332 A HN 0.541 nan 8.150 nan 0.000 0.449 333 T N -3.594 110.731 114.554 -0.382 0.000 3.194 333 T HA 0.138 4.487 4.350 -0.002 0.000 0.251 333 T C 1.351 175.969 174.700 -0.138 0.000 1.132 333 T CA 0.727 62.691 62.100 -0.226 0.000 1.028 333 T CB -0.128 68.669 68.868 -0.119 0.000 0.976 333 T HN 0.495 nan 8.240 nan 0.000 0.535 334 R N 1.165 121.572 120.500 -0.154 0.000 2.334 334 R HA 0.317 4.656 4.340 -0.002 0.000 0.216 334 R C -0.129 176.104 176.300 -0.112 0.000 0.905 334 R CA 0.033 56.062 56.100 -0.118 0.000 1.064 334 R CB 0.289 30.514 30.300 -0.124 0.000 1.046 334 R HN 0.480 nan 8.270 nan 0.000 0.508 335 V N -2.741 117.094 119.914 -0.132 0.000 2.888 335 V HA 0.350 4.469 4.120 -0.002 0.000 0.309 335 V C -0.173 175.896 176.094 -0.041 0.000 1.114 335 V CA -1.022 61.207 62.300 -0.118 0.000 0.940 335 V CB 2.176 33.831 31.823 -0.280 0.000 1.021 335 V HN -0.147 nan 8.190 nan 0.000 0.426 336 D N 2.086 122.496 120.400 0.017 0.000 2.178 336 D HA 0.030 4.668 4.640 -0.002 0.000 0.201 336 D C 1.097 177.459 176.300 0.103 0.000 0.980 336 D CA 2.153 56.193 54.000 0.067 0.000 0.842 336 D CB 0.183 41.026 40.800 0.072 0.000 0.948 336 D HN 1.053 nan 8.370 nan 0.000 0.472 337 S N -2.730 113.030 115.700 0.100 0.000 0.000 337 S HA 0.284 4.752 4.470 -0.002 0.000 0.000 337 S C 0.525 175.220 174.600 0.159 0.000 0.000 337 S CA -0.158 58.123 58.200 0.135 0.000 0.000 337 S CB 1.212 64.498 63.200 0.144 0.000 0.000 337 S HN -0.003 nan 8.310 nan 0.000 0.000 338 T N -2.086 112.552 114.554 0.140 0.000 3.107 338 T HA 0.304 4.653 4.350 -0.002 0.000 0.249 338 T C 0.110 174.891 174.700 0.135 0.000 1.096 338 T CA 0.471 62.667 62.100 0.159 0.000 1.012 338 T CB -1.004 67.865 68.868 0.003 0.000 0.977 338 T HN 0.802 nan 8.240 nan 0.000 0.527 339 E N 0.898 121.166 120.200 0.113 0.000 2.197 339 E HA -0.220 4.129 4.350 -0.002 0.000 0.184 339 E C 1.095 177.677 176.600 -0.031 0.000 1.439 339 E CA 0.314 56.730 56.400 0.027 0.000 0.688 339 E CB -1.771 27.911 29.700 -0.030 0.000 1.090 339 E HN 0.895 nan 8.360 nan 0.000 0.341 340 G N -1.060 107.710 108.800 -0.050 0.000 2.205 340 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.261 340 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.261 340 G C 0.433 175.261 174.900 -0.120 0.000 0.980 340 G CA 0.112 45.180 45.100 -0.053 0.000 0.632 340 G HN 0.420 nan 8.290 nan 0.000 0.533 341 V N 1.153 120.974 119.914 -0.155 0.000 2.488 341 V HA 0.607 4.726 4.120 -0.002 0.000 0.277 341 V C 0.051 176.005 176.094 -0.233 0.000 1.046 341 V CA -0.288 61.953 62.300 -0.098 0.000 0.986 341 V CB 0.741 32.545 31.823 -0.030 0.000 0.989 341 V HN 0.252 nan 8.190 nan 0.000 0.475 342 Y N 2.674 123.041 120.300 0.111 0.000 2.524 342 Y HA 0.686 5.235 4.550 -0.002 0.000 0.344 342 Y C -0.092 175.874 175.900 0.110 0.000 1.012 342 Y CA -0.944 57.249 58.100 0.155 0.000 1.068 342 Y CB 2.322 40.874 38.460 0.152 0.000 1.249 342 Y HN 0.291 nan 8.280 nan 0.000 0.468 343 V N 3.433 123.535 119.914 0.313 0.000 2.419 343 V HA 0.317 4.436 4.120 -0.002 0.000 0.287 343 V C -1.040 175.185 176.094 0.219 0.000 1.017 343 V CA -0.870 61.502 62.300 0.120 0.000 0.844 343 V CB 1.465 33.269 31.823 -0.031 0.000 1.011 343 V HN 0.533 nan 8.190 nan 0.000 0.429 344 V N 7.903 127.852 119.914 0.057 0.000 2.304 344 V HA 0.306 4.425 4.120 -0.002 0.000 0.269 344 V C -1.772 174.170 176.094 -0.253 0.000 1.036 344 V CA -1.494 60.787 62.300 -0.031 0.000 0.840 344 V CB 1.493 33.183 31.823 -0.222 0.000 1.036 344 V HN 0.722 nan 8.190 nan 0.000 0.466 345 P HA 0.199 nan 4.420 nan 0.000 0.218 345 P C 0.361 177.246 177.300 -0.693 0.000 1.793 345 P CA -0.068 62.539 63.100 -0.822 0.000 0.941 345 P CB 0.402 31.821 31.700 -0.467 0.000 1.919 346 A N 0.258 122.768 122.820 -0.517 0.000 2.916 346 A HA 0.202 4.521 4.320 -0.002 0.000 0.254 346 A C 1.126 178.571 177.584 -0.233 0.000 1.544 346 A CA -0.545 51.339 52.037 -0.256 0.000 1.224 346 A CB -1.658 17.244 19.000 -0.164 0.000 1.012 346 A HN 0.207 nan 8.150 nan 0.000 0.636 347 F N -0.162 119.702 119.950 -0.145 0.000 2.202 347 F HA -0.155 4.371 4.527 -0.002 0.000 0.301 347 F C 1.545 177.239 175.800 -0.176 0.000 1.082 347 F CA 1.430 59.296 58.000 -0.223 0.000 1.313 347 F CB 0.203 39.007 39.000 -0.327 0.000 1.024 347 F HN 0.331 nan 8.300 nan 0.000 0.495 348 V N -2.274 117.642 119.914 0.003 0.000 2.727 348 V HA 0.784 4.903 4.120 -0.002 0.000 0.336 348 V C 0.246 176.234 176.094 -0.176 0.000 1.228 348 V CA -0.341 61.877 62.300 -0.136 0.000 1.270 348 V CB -0.265 31.387 31.823 -0.286 0.000 1.486 348 V HN 0.420 nan 8.190 nan 0.000 0.638 349 G N 1.083 109.872 108.800 -0.019 0.000 2.760 349 G HA2 -0.124 3.835 3.960 -0.002 0.000 0.246 349 G HA3 -0.124 3.835 3.960 -0.002 0.000 0.246 349 G C -0.935 174.100 174.900 0.226 0.000 1.359 349 G CA -0.268 44.878 45.100 0.078 0.000 0.861 349 G HN 0.748 nan 8.290 nan 0.000 0.541 350 L N 1.170 122.524 121.223 0.218 0.000 2.322 350 L HA 0.680 5.019 4.340 -0.002 0.000 0.281 350 L C 1.388 178.199 176.870 -0.098 0.000 1.014 350 L CA -0.217 54.674 54.840 0.085 0.000 0.815 350 L CB 1.533 43.586 42.059 -0.010 0.000 1.247 350 L HN 1.058 nan 8.230 nan 0.000 0.421 351 G N 1.255 109.611 108.800 -0.740 0.000 2.829 351 G HA2 0.179 4.138 3.960 -0.002 0.000 0.173 351 G HA3 0.179 4.138 3.960 -0.002 0.000 0.173 351 G C -0.210 173.781 174.900 -1.514 0.000 1.476 351 G CA -0.310 43.778 45.100 -1.686 0.000 1.072 351 G HN 0.443 nan 8.290 nan 0.000 0.577 352 T N 2.521 116.222 114.554 -1.422 0.000 2.866 352 T HA 0.252 4.601 4.350 -0.002 0.000 0.293 352 T C -1.510 172.895 174.700 -0.490 0.000 1.005 352 T CA 0.125 61.803 62.100 -0.704 0.000 1.162 352 T CB 1.357 70.077 68.868 -0.246 0.000 0.968 352 T HN 0.316 nan 8.240 nan 0.000 0.530 353 P HA 0.193 nan 4.420 nan 0.000 0.282 353 P C 0.294 177.423 177.300 -0.286 0.000 1.373 353 P CA 0.015 62.906 63.100 -0.348 0.000 1.001 353 P CB 0.223 31.745 31.700 -0.296 0.000 1.489 354 Y N -1.409 118.808 120.300 -0.137 0.000 2.243 354 Y HA 0.064 4.613 4.550 -0.002 0.000 0.293 354 Y C 0.574 176.548 175.900 0.123 0.000 1.124 354 Y CA 0.319 58.406 58.100 -0.023 0.000 1.159 354 Y CB -1.158 37.254 38.460 -0.079 0.000 1.008 354 Y HN -0.169 nan 8.280 nan 0.000 0.527 355 W N 1.747 123.168 121.300 0.201 0.000 5.566 355 W HA -0.204 4.455 4.660 -0.002 0.000 0.432 355 W C -0.618 176.014 176.519 0.189 0.000 1.749 355 W CA 0.407 57.867 57.345 0.192 0.000 0.922 355 W CB -0.884 28.677 29.460 0.169 0.000 2.934 355 W HN 0.081 nan 8.180 nan 0.000 1.206 356 D N 0.395 120.988 120.400 0.322 0.000 2.389 356 D HA 0.340 4.979 4.640 -0.002 0.000 0.256 356 D C 0.800 177.220 176.300 0.199 0.000 1.239 356 D CA -0.208 53.925 54.000 0.222 0.000 0.925 356 D CB 1.180 42.055 40.800 0.125 0.000 1.145 356 D HN -0.047 nan 8.370 nan 0.000 0.542 357 S N 2.034 117.856 115.700 0.204 0.000 2.423 357 S HA -0.104 4.364 4.470 -0.002 0.000 0.231 357 S C 1.432 176.078 174.600 0.078 0.000 1.014 357 S CA 0.698 58.981 58.200 0.138 0.000 0.965 357 S CB 0.234 63.511 63.200 0.128 0.000 0.785 357 S HN 0.506 nan 8.310 nan 0.000 0.495 358 E N 1.358 121.604 120.200 0.076 0.000 2.371 358 E HA 0.240 4.588 4.350 -0.002 0.000 0.194 358 E C 0.802 177.429 176.600 0.045 0.000 1.012 358 E CA 0.065 56.495 56.400 0.050 0.000 0.860 358 E CB -0.310 29.413 29.700 0.037 0.000 0.811 358 E HN 0.450 nan 8.360 nan 0.000 0.502 359 A N 2.152 124.999 122.820 0.044 0.000 2.445 359 A HA 0.297 4.616 4.320 -0.002 0.000 0.242 359 A C 0.385 177.983 177.584 0.024 0.000 1.075 359 A CA 0.022 52.076 52.037 0.028 0.000 0.777 359 A CB 0.446 19.437 19.000 -0.016 0.000 1.013 359 A HN -0.095 nan 8.150 nan 0.000 0.493 360 R N 0.567 121.086 120.500 0.032 0.000 2.867 360 R HA 0.496 4.835 4.340 -0.002 0.000 0.268 360 R C 0.340 176.581 176.300 -0.099 0.000 1.014 360 R CA -0.229 55.872 56.100 0.001 0.000 0.946 360 R CB 1.288 31.638 30.300 0.083 0.000 1.208 360 R HN 0.961 nan 8.270 nan 0.000 0.477 361 G N 0.228 108.909 108.800 -0.199 0.000 2.321 361 G HA2 0.361 4.320 3.960 -0.002 0.000 0.237 361 G HA3 0.361 4.320 3.960 -0.002 0.000 0.237 361 G C -0.536 174.200 174.900 -0.273 0.000 1.282 361 G CA 0.364 45.229 45.100 -0.391 0.000 0.886 361 G HN 0.601 nan 8.290 nan 0.000 0.528 362 A N 1.804 124.445 122.820 -0.298 0.000 2.566 362 A HA 0.850 5.169 4.320 -0.002 0.000 0.292 362 A C -0.741 176.582 177.584 -0.434 0.000 1.112 362 A CA -0.735 51.065 52.037 -0.395 0.000 0.707 362 A CB 1.457 20.226 19.000 -0.385 0.000 1.302 362 A HN 0.730 nan 8.150 nan 0.000 0.409 363 I N 0.046 120.199 120.570 -0.694 0.000 2.686 363 I HA 0.609 4.778 4.170 -0.002 0.000 0.295 363 I C -1.464 174.204 176.117 -0.750 0.000 1.114 363 I CA -0.211 60.807 61.300 -0.469 0.000 1.038 363 I CB 2.120 39.984 38.000 -0.227 0.000 1.238 363 I HN 0.615 nan 8.210 nan 0.000 0.420 364 F N 1.080 121.021 119.950 -0.015 0.000 2.650 364 F HA 0.640 5.166 4.527 -0.002 0.000 0.320 364 F C 1.045 176.872 175.800 0.044 0.000 1.091 364 F CA -0.502 57.502 58.000 0.007 0.000 0.962 364 F CB 1.756 40.754 39.000 -0.003 0.000 1.363 364 F HN 0.619 nan 8.300 nan 0.000 0.482 365 G N 0.902 109.856 108.800 0.257 0.000 2.153 365 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.252 365 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.252 365 G C -0.222 174.721 174.900 0.071 0.000 0.994 365 G CA -0.146 45.044 45.100 0.149 0.000 0.698 365 G HN 0.496 nan 8.290 nan 0.000 0.521 366 L N 0.976 122.236 121.223 0.061 0.000 2.439 366 L HA 0.590 4.929 4.340 -0.002 0.000 0.269 366 L C 1.136 178.016 176.870 0.017 0.000 1.179 366 L CA 0.733 55.594 54.840 0.035 0.000 0.828 366 L CB 0.939 43.022 42.059 0.041 0.000 1.106 366 L HN 0.497 nan 8.230 nan 0.000 0.467 367 T N -1.758 112.794 114.554 -0.003 0.000 2.821 367 T HA 0.346 4.695 4.350 -0.002 0.000 0.306 367 T C 0.704 175.394 174.700 -0.018 0.000 1.313 367 T CA -1.025 61.068 62.100 -0.011 0.000 1.012 367 T CB 1.496 70.349 68.868 -0.024 0.000 1.298 367 T HN 0.507 nan 8.240 nan 0.000 0.502 368 R N 0.404 120.896 120.500 -0.013 0.000 2.133 368 R HA -0.074 4.265 4.340 -0.002 0.000 0.247 368 R C 2.405 178.694 176.300 -0.019 0.000 1.151 368 R CA 1.846 57.940 56.100 -0.011 0.000 0.971 368 R CB -0.898 29.397 30.300 -0.007 0.000 0.866 368 R HN 0.853 nan 8.270 nan 0.000 0.447 369 G N 0.354 109.131 108.800 -0.038 0.000 2.679 369 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.212 369 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.212 369 G C 0.280 175.111 174.900 -0.116 0.000 1.137 369 G CA 0.139 45.203 45.100 -0.059 0.000 0.787 369 G HN 0.181 nan 8.290 nan 0.000 0.534 370 T N 1.604 116.092 114.554 -0.110 0.000 2.870 370 T HA 0.397 4.746 4.350 -0.002 0.000 0.300 370 T C 0.079 174.818 174.700 0.065 0.000 0.989 370 T CA 0.159 62.196 62.100 -0.105 0.000 1.139 370 T CB 0.871 69.732 68.868 -0.013 0.000 0.920 370 T HN 0.622 nan 8.240 nan 0.000 0.537 371 E N 1.827 122.180 120.200 0.256 0.000 2.445 371 E HA 0.448 4.797 4.350 -0.002 0.000 0.273 371 E C 0.421 177.142 176.600 0.202 0.000 0.961 371 E CA -1.169 55.355 56.400 0.206 0.000 0.807 371 E CB 1.388 31.201 29.700 0.187 0.000 1.362 371 E HN 0.227 nan 8.360 nan 0.000 0.453 372 K N 0.523 120.959 120.400 0.059 0.000 2.044 372 K HA -0.315 4.004 4.320 -0.002 0.000 0.224 372 K C 1.625 178.247 176.600 0.037 0.000 1.056 372 K CA 2.580 58.852 56.287 -0.026 0.000 0.962 372 K CB -0.339 32.077 32.500 -0.140 0.000 0.730 372 K HN 0.424 nan 8.250 nan 0.000 0.453 373 E N 0.024 120.248 120.200 0.041 0.000 2.113 373 E HA -0.234 4.114 4.350 -0.002 0.000 0.210 373 E C 1.909 178.449 176.600 -0.099 0.000 1.040 373 E CA 2.130 58.508 56.400 -0.037 0.000 0.847 373 E CB -0.469 29.125 29.700 -0.176 0.000 0.755 373 E HN 0.479 nan 8.360 nan 0.000 0.459 374 H N -1.520 117.585 119.070 0.058 0.000 2.321 374 H HA -0.054 4.501 4.556 -0.002 0.000 0.300 374 H C 1.825 177.192 175.328 0.066 0.000 1.087 374 H CA 1.441 57.516 56.048 0.044 0.000 1.319 374 H CB -0.377 29.414 29.762 0.049 0.000 1.379 374 H HN 0.167 nan 8.280 nan 0.000 0.501 375 F N 0.904 120.909 119.950 0.093 0.000 2.102 375 F HA -0.184 4.342 4.527 -0.002 0.000 0.298 375 F C 2.100 177.908 175.800 0.014 0.000 1.105 375 F CA 1.404 59.431 58.000 0.045 0.000 1.239 375 F CB -0.202 38.805 39.000 0.012 0.000 0.991 375 F HN 0.032 nan 8.300 nan 0.000 0.474 376 I N -0.029 120.700 120.570 0.265 0.000 2.202 376 I HA -0.286 3.883 4.170 -0.002 0.000 0.242 376 I C 2.636 178.762 176.117 0.014 0.000 1.091 376 I CA 1.439 62.810 61.300 0.119 0.000 1.368 376 I CB -0.661 37.316 38.000 -0.037 0.000 1.058 376 I HN 0.109 nan 8.210 nan 0.000 0.410 377 R N 1.469 121.942 120.500 -0.045 0.000 2.096 377 R HA -0.236 4.102 4.340 -0.002 0.000 0.240 377 R C 2.400 178.665 176.300 -0.057 0.000 1.139 377 R CA 1.935 57.957 56.100 -0.130 0.000 0.952 377 R CB -0.342 29.852 30.300 -0.175 0.000 0.854 377 R HN 0.366 nan 8.270 nan 0.000 0.436 378 A N 0.065 122.861 122.820 -0.040 0.000 1.917 378 A HA -0.190 4.129 4.320 -0.002 0.000 0.219 378 A C 2.209 179.794 177.584 0.002 0.000 1.182 378 A CA 2.255 54.273 52.037 -0.030 0.000 0.633 378 A CB -1.033 17.917 19.000 -0.083 0.000 0.819 378 A HN 0.533 nan 8.150 nan 0.000 0.448 379 T N 0.492 115.034 114.554 -0.020 0.000 2.708 379 T HA -0.099 4.250 4.350 -0.002 0.000 0.266 379 T C 1.829 176.568 174.700 0.064 0.000 1.037 379 T CA 1.463 63.592 62.100 0.048 0.000 1.146 379 T CB -0.424 68.513 68.868 0.115 0.000 0.865 379 T HN 0.372 nan 8.240 nan 0.000 0.435 380 L N 0.734 121.987 121.223 0.050 0.000 2.042 380 L HA -0.131 4.208 4.340 -0.002 0.000 0.210 380 L C 2.723 179.570 176.870 -0.038 0.000 1.076 380 L CA 1.495 56.371 54.840 0.061 0.000 0.749 380 L CB -0.610 41.536 42.059 0.146 0.000 0.893 380 L HN 0.354 nan 8.230 nan 0.000 0.432 381 E N -0.230 119.881 120.200 -0.147 0.000 2.265 381 E HA -0.182 4.166 4.350 -0.002 0.000 0.196 381 E C 2.255 178.705 176.600 -0.251 0.000 0.996 381 E CA 1.273 57.380 56.400 -0.488 0.000 0.832 381 E CB -0.029 29.252 29.700 -0.699 0.000 0.756 381 E HN 0.567 nan 8.360 nan 0.000 0.491 382 S N 0.866 116.554 115.700 -0.020 0.000 2.382 382 S HA -0.161 4.308 4.470 -0.002 0.000 0.228 382 S C 1.921 176.470 174.600 -0.085 0.000 1.027 382 S CA 0.737 58.927 58.200 -0.016 0.000 0.991 382 S CB -0.282 62.999 63.200 0.134 0.000 0.823 382 S HN 0.082 nan 8.310 nan 0.000 0.469 383 L N 1.202 122.413 121.223 -0.019 0.000 2.191 383 L HA -0.014 4.325 4.340 -0.002 0.000 0.212 383 L C 2.634 179.537 176.870 0.054 0.000 1.103 383 L CA 0.926 55.801 54.840 0.058 0.000 0.769 383 L CB -1.072 41.053 42.059 0.109 0.000 0.908 383 L HN 0.497 nan 8.230 nan 0.000 0.438 384 C N -2.797 116.459 119.300 -0.073 0.000 2.538 384 C HA -0.023 4.436 4.460 -0.002 0.000 0.281 384 C C 2.550 177.452 174.990 -0.147 0.000 1.320 384 C CA -0.428 58.543 59.018 -0.078 0.000 1.714 384 C CB -0.792 26.932 27.740 -0.027 0.000 2.095 384 C HN 0.404 nan 8.230 nan 0.000 0.497 385 Y N 2.071 122.214 120.300 -0.260 0.000 2.207 385 Y HA -0.220 4.329 4.550 -0.002 0.000 0.287 385 Y C 2.678 178.309 175.900 -0.447 0.000 1.156 385 Y CA 1.555 59.308 58.100 -0.578 0.000 1.182 385 Y CB -0.935 36.517 38.460 -1.679 0.000 0.979 385 Y HN 0.485 nan 8.280 nan 0.000 0.521 386 Q N -1.047 118.638 119.800 -0.191 0.000 2.079 386 Q HA -0.139 4.200 4.340 -0.002 0.000 0.200 386 Q C 2.166 178.176 176.000 0.016 0.000 0.974 386 Q CA 1.872 57.693 55.803 0.030 0.000 0.840 386 Q CB -0.479 28.281 28.738 0.038 0.000 0.898 386 Q HN 0.397 nan 8.270 nan 0.000 0.430 387 T N 1.100 115.644 114.554 -0.017 0.000 2.720 387 T HA -0.215 4.134 4.350 -0.002 0.000 0.268 387 T C 1.730 176.422 174.700 -0.012 0.000 1.037 387 T CA 1.586 63.666 62.100 -0.032 0.000 1.144 387 T CB -0.201 68.675 68.868 0.015 0.000 0.864 387 T HN 0.279 nan 8.240 nan 0.000 0.444 388 R N 0.913 121.419 120.500 0.011 0.000 2.073 388 R HA -0.130 4.209 4.340 -0.002 0.000 0.234 388 R C 1.961 178.317 176.300 0.093 0.000 1.134 388 R CA 1.770 57.870 56.100 -0.001 0.000 0.952 388 R CB -0.291 29.962 30.300 -0.079 0.000 0.850 388 R HN 0.242 nan 8.270 nan 0.000 0.433 389 D N 0.716 121.249 120.400 0.221 0.000 2.126 389 D HA -0.156 4.483 4.640 -0.002 0.000 0.190 389 D C 1.234 177.562 176.300 0.048 0.000 1.001 389 D CA 1.601 55.731 54.000 0.217 0.000 0.841 389 D CB -0.660 40.288 40.800 0.247 0.000 0.949 389 D HN 0.247 nan 8.370 nan 0.000 0.446 396 K N 0.894 121.296 120.400 0.003 0.000 2.242 396 K HA 0.215 4.534 4.320 -0.002 0.000 0.200 396 K C 0.603 177.208 176.600 0.008 0.000 1.050 396 K CA 1.025 57.316 56.287 0.005 0.000 0.981 396 K CB 0.004 32.509 32.500 0.008 0.000 0.795 396 K HN 0.187 nan 8.250 nan 0.000 0.477 397 D N 0.282 120.689 120.400 0.013 0.000 2.317 397 D HA -0.062 4.577 4.640 -0.002 0.000 0.211 397 D C 1.783 178.090 176.300 0.011 0.000 0.966 397 D CA 0.966 54.975 54.000 0.015 0.000 0.876 397 D CB 0.330 41.146 40.800 0.026 0.000 0.927 397 D HN 0.163 nan 8.370 nan 0.000 0.519 398 S N -1.667 114.038 115.700 0.008 0.000 2.506 398 S HA 0.308 4.776 4.470 -0.002 0.000 0.230 398 S C 1.905 176.505 174.600 -0.000 0.000 1.066 398 S CA 0.860 59.063 58.200 0.004 0.000 0.940 398 S CB 0.837 64.040 63.200 0.004 0.000 0.818 398 S HN 0.223 nan 8.310 nan 0.000 0.518 399 G N 1.529 110.328 108.800 -0.001 0.000 2.268 399 G HA2 -0.217 3.741 3.960 -0.002 0.000 0.240 399 G HA3 -0.217 3.741 3.960 -0.002 0.000 0.240 399 G C 0.131 175.027 174.900 -0.007 0.000 1.010 399 G CA 0.127 45.224 45.100 -0.004 0.000 0.618 399 G HN 0.581 nan 8.290 nan 0.000 0.516 400 I N 1.472 122.038 120.570 -0.008 0.000 2.696 400 I HA 0.342 4.510 4.170 -0.002 0.000 0.284 400 I C -0.116 175.993 176.117 -0.014 0.000 1.129 400 I CA 0.015 61.308 61.300 -0.012 0.000 1.410 400 I CB 0.933 38.925 38.000 -0.012 0.000 1.399 400 I HN 0.075 nan 8.210 nan 0.000 0.579 401 D N 5.329 125.718 120.400 -0.018 0.000 2.446 401 D HA 0.264 4.903 4.640 -0.002 0.000 0.251 401 D C -0.630 175.655 176.300 -0.025 0.000 1.137 401 D CA -0.377 53.610 54.000 -0.021 0.000 0.890 401 D CB 1.093 41.880 40.800 -0.021 0.000 1.071 401 D HN 0.054 nan 8.370 nan 0.000 0.528 402 V N 4.423 124.321 119.914 -0.027 0.000 2.673 402 V HA 0.041 4.160 4.120 -0.002 0.000 0.303 402 V C 1.407 177.483 176.094 -0.031 0.000 1.046 402 V CA 0.656 62.938 62.300 -0.030 0.000 1.126 402 V CB 1.190 32.995 31.823 -0.030 0.000 0.934 402 V HN 0.634 nan 8.190 nan 0.000 0.487 403 Q N 2.482 122.264 119.800 -0.029 0.000 2.185 403 Q HA 0.232 4.571 4.340 -0.002 0.000 0.234 403 Q C 0.216 176.205 176.000 -0.018 0.000 0.819 403 Q CA 0.255 56.042 55.803 -0.026 0.000 0.961 403 Q CB 0.993 29.716 28.738 -0.025 0.000 1.140 403 Q HN 0.703 nan 8.270 nan 0.000 0.492 404 S N 0.545 116.235 115.700 -0.018 0.000 2.397 404 S HA 0.376 4.845 4.470 -0.002 0.000 0.190 404 S C -1.059 173.538 174.600 -0.005 0.000 1.100 404 S CA -0.857 57.342 58.200 -0.002 0.000 1.150 404 S CB 0.879 64.075 63.200 -0.006 0.000 1.302 404 S HN 0.259 nan 8.310 nan 0.000 0.417 405 L N 3.153 124.383 121.223 0.011 0.000 2.367 405 L HA 0.506 4.845 4.340 -0.002 0.000 0.275 405 L C 0.311 177.212 176.870 0.052 0.000 1.129 405 L CA 0.149 54.998 54.840 0.015 0.000 0.839 405 L CB 0.412 42.485 42.059 0.023 0.000 1.133 405 L HN 0.662 nan 8.230 nan 0.000 0.453 406 R N 4.397 124.914 120.500 0.030 0.000 2.265 406 R HA 0.536 4.875 4.340 -0.002 0.000 0.314 406 R C -0.665 175.713 176.300 0.130 0.000 1.053 406 R CA -0.464 55.689 56.100 0.089 0.000 0.931 406 R CB 1.086 31.381 30.300 -0.008 0.000 1.024 406 R HN 0.663 nan 8.270 nan 0.000 0.457 407 V N -0.815 119.218 119.914 0.199 0.000 3.103 407 V HA 0.748 4.867 4.120 -0.002 0.000 0.318 407 V C -0.720 175.512 176.094 0.230 0.000 1.114 407 V CA -0.873 61.565 62.300 0.230 0.000 1.020 407 V CB 2.158 34.154 31.823 0.289 0.000 1.085 407 V HN 0.937 nan 8.190 nan 0.000 0.446 408 D N -1.373 119.178 120.400 0.251 0.000 2.755 408 D HA 0.721 5.360 4.640 -0.002 0.000 0.277 408 D C -0.200 176.244 176.300 0.240 0.000 1.261 408 D CA 0.316 54.444 54.000 0.213 0.000 0.759 408 D CB 0.875 41.783 40.800 0.181 0.000 1.279 408 D HN 2.014 nan 8.370 nan 0.000 0.420 409 G N -1.804 107.115 108.800 0.198 0.000 2.371 409 G HA2 0.452 4.411 3.960 -0.002 0.000 0.663 409 G HA3 0.452 4.411 3.960 -0.002 0.000 0.663 409 G C 0.637 175.641 174.900 0.173 0.000 1.311 409 G CA 0.159 45.382 45.100 0.205 0.000 0.985 409 G HN 1.246 nan 8.290 nan 0.000 0.566 410 G N -0.261 108.642 108.800 0.170 0.000 2.404 410 G HA2 0.299 4.258 3.960 -0.002 0.000 0.215 410 G HA3 0.299 4.258 3.960 -0.002 0.000 0.215 410 G C 2.027 176.992 174.900 0.109 0.000 1.174 410 G CA 2.561 47.742 45.100 0.134 0.000 0.780 410 G HN 1.955 nan 8.290 nan 0.000 0.537 411 A N 0.553 123.446 122.820 0.122 0.000 2.168 411 A HA 0.203 4.522 4.320 -0.002 0.000 0.215 411 A C 2.455 180.013 177.584 -0.043 0.000 1.152 411 A CA 1.487 53.556 52.037 0.053 0.000 0.716 411 A CB -0.464 18.577 19.000 0.069 0.000 0.794 411 A HN 0.868 nan 8.150 nan 0.000 0.465 412 V N -1.174 118.731 119.914 -0.015 0.000 3.241 412 V HA -0.163 3.955 4.120 -0.002 0.000 0.269 412 V C 1.701 177.761 176.094 -0.056 0.000 1.151 412 V CA 1.890 64.138 62.300 -0.087 0.000 1.158 412 V CB -1.099 30.742 31.823 0.030 0.000 0.764 412 V HN 0.733 nan 8.190 nan 0.000 0.508 413 K N 0.780 121.177 120.400 -0.005 0.000 2.426 413 K HA 0.059 4.378 4.320 -0.002 0.000 0.193 413 K C 0.815 177.425 176.600 0.015 0.000 1.028 413 K CA 0.262 56.562 56.287 0.022 0.000 1.047 413 K CB -0.254 32.271 32.500 0.041 0.000 0.821 413 K HN 0.450 nan 8.250 nan 0.000 0.513 414 N N 2.214 120.901 118.700 -0.021 0.000 2.439 414 N HA 0.041 4.780 4.740 -0.002 0.000 0.243 414 N C -0.205 175.282 175.510 -0.038 0.000 1.088 414 N CA -0.086 52.964 53.050 -0.001 0.000 0.940 414 N CB 0.744 39.235 38.487 0.006 0.000 1.180 414 N HN 0.069 nan 8.380 nan 0.000 0.505 415 N N 2.539 121.260 118.700 0.036 0.000 2.149 415 N HA -0.179 4.559 4.740 -0.002 0.000 0.188 415 N C 1.243 176.759 175.510 0.010 0.000 1.019 415 N CA 0.889 53.971 53.050 0.053 0.000 0.857 415 N CB -0.446 38.170 38.487 0.215 0.000 0.997 415 N HN 0.618 nan 8.380 nan 0.000 0.426 416 F N 1.587 121.512 119.950 -0.042 0.000 2.126 416 F HA 0.005 4.531 4.527 -0.002 0.000 0.299 416 F C 1.069 176.820 175.800 -0.081 0.000 1.096 416 F CA 0.652 58.633 58.000 -0.033 0.000 1.255 416 F CB -0.221 38.761 39.000 -0.031 0.000 0.997 416 F HN -0.132 nan 8.300 nan 0.000 0.479 420 F N 1.816 121.457 119.950 -0.514 0.000 2.234 420 F HA -0.033 4.493 4.527 -0.002 0.000 0.299 420 F C 2.027 177.587 175.800 -0.399 0.000 1.087 420 F CA 2.105 59.785 58.000 -0.532 0.000 1.340 420 F CB 0.303 38.769 39.000 -0.890 0.000 1.031 420 F HN 0.279 nan 8.300 nan 0.000 0.500 421 Q N 0.792 120.448 119.800 -0.240 0.000 2.079 421 Q HA -0.064 4.275 4.340 -0.002 0.000 0.200 421 Q C 2.224 178.087 176.000 -0.229 0.000 0.974 421 Q CA 1.912 57.585 55.803 -0.217 0.000 0.840 421 Q CB -0.649 27.982 28.738 -0.178 0.000 0.898 421 Q HN 0.403 nan 8.270 nan 0.000 0.430 422 A N 0.598 123.301 122.820 -0.194 0.000 1.877 422 A HA -0.210 4.109 4.320 -0.002 0.000 0.216 422 A C 1.782 179.262 177.584 -0.173 0.000 1.186 422 A CA 1.850 53.815 52.037 -0.120 0.000 0.620 422 A CB -0.826 18.163 19.000 -0.017 0.000 0.822 422 A HN 0.478 nan 8.150 nan 0.000 0.443 423 D N -0.292 119.957 120.400 -0.252 0.000 2.077 423 D HA -0.141 4.498 4.640 -0.002 0.000 0.193 423 D C 1.739 177.823 176.300 -0.361 0.000 0.989 423 D CA 1.398 55.221 54.000 -0.294 0.000 0.831 423 D CB -0.656 39.927 40.800 -0.363 0.000 0.979 423 D HN 0.341 nan 8.370 nan 0.000 0.449 424 I N 0.421 120.646 120.570 -0.576 0.000 2.530 424 I HA -0.196 3.973 4.170 -0.002 0.000 0.257 424 I C 1.808 177.733 176.117 -0.320 0.000 1.179 424 I CA 1.030 62.027 61.300 -0.505 0.000 1.440 424 I CB 0.209 37.798 38.000 -0.685 0.000 1.087 424 I HN -0.159 nan 8.210 nan 0.000 0.440 425 V N 0.157 119.911 119.914 -0.266 0.000 3.621 425 V HA 0.159 4.278 4.120 -0.002 0.000 0.263 425 V C 0.903 176.904 176.094 -0.155 0.000 1.272 425 V CA 0.676 62.852 62.300 -0.206 0.000 1.080 425 V CB -0.618 31.111 31.823 -0.157 0.000 0.816 425 V HN 0.653 nan 8.190 nan 0.000 0.451 426 N N 1.140 119.753 118.700 -0.145 0.000 2.758 426 N HA -0.159 4.579 4.740 -0.002 0.000 0.248 426 N C -0.335 175.131 175.510 -0.074 0.000 1.076 426 N CA 1.146 54.135 53.050 -0.102 0.000 0.696 426 N CB -1.154 37.278 38.487 -0.091 0.000 0.979 426 N HN 0.511 nan 8.380 nan 0.000 0.550 427 T N -0.140 114.373 114.554 -0.068 0.000 2.900 427 T HA 0.489 4.838 4.350 -0.002 0.000 0.303 427 T C -0.428 174.263 174.700 -0.016 0.000 1.142 427 T CA -0.370 61.706 62.100 -0.041 0.000 1.007 427 T CB 1.497 70.339 68.868 -0.043 0.000 1.156 427 T HN 0.082 nan 8.240 nan 0.000 0.490 428 S N 1.232 116.937 115.700 0.007 0.000 2.565 428 S HA 0.503 4.972 4.470 -0.002 0.000 0.276 428 S C -0.182 174.459 174.600 0.070 0.000 1.326 428 S CA -0.666 57.561 58.200 0.045 0.000 1.045 428 S CB 0.669 63.895 63.200 0.042 0.000 0.918 428 S HN 0.472 nan 8.310 nan 0.000 0.505 429 V N 3.357 123.351 119.914 0.134 0.000 2.409 429 V HA 0.333 4.452 4.120 -0.002 0.000 0.291 429 V C -0.173 176.074 176.094 0.255 0.000 1.020 429 V CA -0.644 61.745 62.300 0.149 0.000 0.848 429 V CB 1.525 33.388 31.823 0.066 0.000 0.990 429 V HN 0.835 nan 8.190 nan 0.000 0.430 430 E N 4.266 124.601 120.200 0.224 0.000 2.113 430 E HA 0.462 4.811 4.350 -0.002 0.000 0.273 430 E C -0.459 176.337 176.600 0.327 0.000 0.924 430 E CA -0.640 55.937 56.400 0.294 0.000 0.764 430 E CB 2.209 32.097 29.700 0.315 0.000 1.104 430 E HN 0.486 nan 8.360 nan 0.000 0.406 431 R N 4.377 125.056 120.500 0.298 0.000 2.294 431 R HA 0.339 4.678 4.340 -0.002 0.000 0.319 431 R C -2.548 173.799 176.300 0.079 0.000 0.984 431 R CA -1.902 54.329 56.100 0.219 0.000 0.861 431 R CB 0.856 31.297 30.300 0.235 0.000 1.104 431 R HN 0.236 nan 8.270 nan 0.000 0.451 432 P HA 0.087 nan 4.420 nan 0.000 0.274 432 P C -0.340 176.806 177.300 -0.258 0.000 1.256 432 P CA -0.288 62.602 63.100 -0.350 0.000 0.795 432 P CB 0.920 32.495 31.700 -0.208 0.000 1.038 433 E N 0.655 120.635 120.200 -0.366 0.000 2.046 433 E HA 0.004 4.353 4.350 -0.002 0.000 0.190 433 E C 0.272 176.815 176.600 -0.095 0.000 0.982 433 E CA 1.044 57.327 56.400 -0.195 0.000 0.800 433 E CB -0.289 29.289 29.700 -0.204 0.000 0.756 433 E HN 0.340 nan 8.360 nan 0.000 0.449 434 I N 1.941 122.456 120.570 -0.092 0.000 2.291 434 I HA 0.106 4.275 4.170 -0.002 0.000 0.290 434 I C 0.601 176.744 176.117 0.044 0.000 1.050 434 I CA -0.015 61.297 61.300 0.020 0.000 1.245 434 I CB 1.309 39.365 38.000 0.094 0.000 1.405 434 I HN 0.127 nan 8.210 nan 0.000 0.478 435 Q N 3.056 122.898 119.800 0.070 0.000 2.424 435 Q HA 0.034 4.373 4.340 -0.002 0.000 0.204 435 Q C 0.432 176.513 176.000 0.135 0.000 0.933 435 Q CA 0.398 56.260 55.803 0.099 0.000 0.929 435 Q CB 0.430 29.222 28.738 0.089 0.000 1.037 435 Q HN 0.457 nan 8.270 nan 0.000 0.511 436 E N 1.491 121.782 120.200 0.152 0.000 2.346 436 E HA -0.020 4.329 4.350 -0.002 0.000 0.317 436 E C 0.810 177.539 176.600 0.216 0.000 1.404 436 E CA 0.158 56.670 56.400 0.187 0.000 1.534 436 E CB 0.122 29.945 29.700 0.205 0.000 1.309 436 E HN 0.367 nan 8.360 nan 0.000 0.499 437 T N -3.113 111.545 114.554 0.173 0.000 2.904 437 T HA -0.116 4.233 4.350 -0.002 0.000 0.267 437 T C 1.839 176.620 174.700 0.136 0.000 1.059 437 T CA 1.267 63.455 62.100 0.147 0.000 1.137 437 T CB -0.030 68.917 68.868 0.131 0.000 0.879 437 T HN 0.071 nan 8.240 nan 0.000 0.467 438 T N 2.262 116.901 114.554 0.143 0.000 2.652 438 T HA -0.025 4.324 4.350 -0.002 0.000 0.267 438 T C 2.445 177.235 174.700 0.151 0.000 1.039 438 T CA 1.646 63.824 62.100 0.131 0.000 1.153 438 T CB -0.949 67.994 68.868 0.126 0.000 0.863 438 T HN 0.624 nan 8.240 nan 0.000 0.428 439 A N 1.205 124.148 122.820 0.205 0.000 1.865 439 A HA -0.045 4.273 4.320 -0.002 0.000 0.217 439 A C 2.327 180.043 177.584 0.221 0.000 1.191 439 A CA 1.691 53.896 52.037 0.279 0.000 0.623 439 A CB -1.051 18.188 19.000 0.397 0.000 0.826 439 A HN 0.520 nan 8.150 nan 0.000 0.444 440 L N -0.504 120.810 121.223 0.151 0.000 2.013 440 L HA -0.148 4.191 4.340 -0.002 0.000 0.212 440 L C 2.489 179.338 176.870 -0.035 0.000 1.073 440 L CA 1.973 56.676 54.840 -0.229 0.000 0.753 440 L CB -0.786 41.239 42.059 -0.057 0.000 0.890 440 L HN 0.419 nan 8.230 nan 0.000 0.432 441 G N -0.780 108.068 108.800 0.079 0.000 2.514 441 G HA2 -0.364 3.595 3.960 -0.002 0.000 0.217 441 G HA3 -0.364 3.595 3.960 -0.002 0.000 0.217 441 G C 1.622 176.607 174.900 0.143 0.000 1.198 441 G CA 0.978 46.190 45.100 0.187 0.000 0.780 441 G HN 0.617 nan 8.290 nan 0.000 0.565 442 A N 1.109 123.983 122.820 0.090 0.000 1.940 442 A HA 0.193 4.512 4.320 -0.002 0.000 0.219 442 A C 2.840 180.490 177.584 0.109 0.000 1.176 442 A CA 2.471 54.549 52.037 0.067 0.000 0.631 442 A CB -0.862 18.190 19.000 0.086 0.000 0.814 442 A HN 0.961 nan 8.150 nan 0.000 0.446 443 A N -1.339 121.555 122.820 0.123 0.000 1.908 443 A HA -0.085 4.233 4.320 -0.002 0.000 0.218 443 A C 2.013 179.762 177.584 0.274 0.000 1.181 443 A CA 1.601 53.729 52.037 0.151 0.000 0.627 443 A CB -0.730 18.237 19.000 -0.055 0.000 0.818 443 A HN 0.513 nan 8.150 nan 0.000 0.445 444 F N -0.256 119.744 119.950 0.084 0.000 2.163 444 F HA -0.039 4.486 4.527 -0.002 0.000 0.297 444 F C 2.122 178.031 175.800 0.183 0.000 1.094 444 F CA 1.082 59.185 58.000 0.173 0.000 1.290 444 F CB -0.196 38.854 39.000 0.083 0.000 1.017 444 F HN 0.092 nan 8.300 nan 0.000 0.483 445 L N -0.609 120.703 121.223 0.147 0.000 2.081 445 L HA -0.284 4.055 4.340 -0.002 0.000 0.212 445 L C 2.611 179.514 176.870 0.056 0.000 1.080 445 L CA 1.247 56.062 54.840 -0.041 0.000 0.754 445 L CB -0.932 41.015 42.059 -0.186 0.000 0.893 445 L HN 0.176 nan 8.230 nan 0.000 0.433 446 A N 0.003 122.881 122.820 0.096 0.000 1.855 446 A HA -0.003 4.316 4.320 -0.002 0.000 0.213 446 A C 2.418 180.046 177.584 0.074 0.000 1.195 446 A CA 1.211 53.285 52.037 0.061 0.000 0.610 446 A CB -1.260 17.768 19.000 0.046 0.000 0.837 446 A HN 0.386 nan 8.150 nan 0.000 0.444 447 G N 0.145 109.045 108.800 0.167 0.000 2.469 447 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.219 447 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.219 447 G C 1.557 176.586 174.900 0.216 0.000 1.150 447 G CA 1.254 46.442 45.100 0.146 0.000 0.763 447 G HN 0.416 nan 8.290 nan 0.000 0.561 448 L N 0.495 121.896 121.223 0.297 0.000 2.056 448 L HA -0.013 4.326 4.340 -0.002 0.000 0.207 448 L C 3.393 180.327 176.870 0.107 0.000 1.078 448 L CA 0.933 55.909 54.840 0.228 0.000 0.749 448 L CB -0.405 41.809 42.059 0.258 0.000 0.901 448 L HN 0.310 nan 8.230 nan 0.000 0.433 449 A N -0.071 122.786 122.820 0.060 0.000 2.019 449 A HA -0.114 4.205 4.320 -0.002 0.000 0.219 449 A C 1.958 179.529 177.584 -0.022 0.000 1.164 449 A CA 1.756 53.788 52.037 -0.009 0.000 0.644 449 A CB -0.557 18.403 19.000 -0.066 0.000 0.805 449 A HN 0.362 nan 8.150 nan 0.000 0.449 450 V N -4.576 115.332 119.914 -0.010 0.000 3.483 450 V HA 0.570 4.689 4.120 -0.002 0.000 0.301 450 V C 1.142 177.233 176.094 -0.004 0.000 1.389 450 V CA 0.476 62.762 62.300 -0.024 0.000 1.101 450 V CB -0.756 31.037 31.823 -0.050 0.000 0.971 450 V HN 1.420 nan 8.190 nan 0.000 0.434 451 G N 0.414 109.225 108.800 0.018 0.000 2.176 451 G HA2 -0.367 3.591 3.960 -0.002 0.000 0.252 451 G HA3 -0.367 3.591 3.960 -0.002 0.000 0.252 451 G C 0.280 175.162 174.900 -0.030 0.000 1.024 451 G CA 0.617 45.722 45.100 0.009 0.000 0.755 451 G HN 0.667 nan 8.290 nan 0.000 0.507 452 F N -0.052 119.744 119.950 -0.257 0.000 2.259 452 F HA 0.346 4.872 4.527 -0.002 0.000 0.298 452 F C 1.056 176.457 175.800 -0.665 0.000 1.088 452 F CA 0.765 58.434 58.000 -0.550 0.000 1.358 452 F CB 0.162 38.653 39.000 -0.849 0.000 1.040 452 F HN 0.270 nan 8.300 nan 0.000 0.505 453 W N 0.751 122.004 121.300 -0.078 0.000 2.915 453 W HA 0.267 4.925 4.660 -0.002 0.000 0.337 453 W C 0.852 177.349 176.519 -0.037 0.000 1.102 453 W CA -0.712 56.558 57.345 -0.125 0.000 1.224 453 W CB 1.082 30.452 29.460 -0.150 0.000 1.416 453 W HN -0.135 nan 8.180 nan 0.000 0.503 454 E N 1.034 121.349 120.200 0.192 0.000 2.112 454 E HA -0.059 4.290 4.350 -0.002 0.000 0.190 454 E C 0.697 177.372 176.600 0.124 0.000 0.979 454 E CA 0.852 57.320 56.400 0.114 0.000 0.814 454 E CB 0.660 30.399 29.700 0.066 0.000 0.762 454 E HN 0.142 nan 8.360 nan 0.000 0.460 455 S N -0.445 115.347 115.700 0.154 0.000 2.546 455 S HA 0.159 4.627 4.470 -0.002 0.000 0.274 455 S C 0.396 175.062 174.600 0.109 0.000 1.121 455 S CA -0.891 57.365 58.200 0.093 0.000 0.887 455 S CB 1.571 64.791 63.200 0.033 0.000 1.094 455 S HN 0.143 nan 8.310 nan 0.000 0.474 456 K N 1.729 122.122 120.400 -0.013 0.000 2.280 456 K HA -0.075 4.244 4.320 -0.002 0.000 0.202 456 K C 0.313 176.757 176.600 -0.260 0.000 1.047 456 K CA 1.548 57.740 56.287 -0.158 0.000 0.942 456 K CB -0.439 31.723 32.500 -0.563 0.000 0.739 456 K HN 0.498 nan 8.250 nan 0.000 0.457 457 D N 2.149 122.441 120.400 -0.180 0.000 2.265 457 D HA -0.153 4.486 4.640 -0.002 0.000 0.208 457 D C 1.143 177.414 176.300 -0.047 0.000 0.977 457 D CA 1.025 54.971 54.000 -0.092 0.000 0.871 457 D CB -0.270 40.499 40.800 -0.052 0.000 0.925 457 D HN 0.291 nan 8.370 nan 0.000 0.485 458 D N 0.222 120.613 120.400 -0.014 0.000 2.228 458 D HA -0.141 4.497 4.640 -0.002 0.000 0.203 458 D C 2.082 178.330 176.300 -0.087 0.000 0.988 458 D CA 0.249 54.261 54.000 0.019 0.000 0.864 458 D CB -0.145 40.723 40.800 0.114 0.000 0.928 458 D HN 0.322 nan 8.370 nan 0.000 0.469 459 I N 0.361 120.738 120.570 -0.322 0.000 2.233 459 I HA -0.236 3.932 4.170 -0.002 0.000 0.243 459 I C 2.094 178.119 176.117 -0.154 0.000 1.093 459 I CA 1.040 62.059 61.300 -0.469 0.000 1.380 459 I CB 0.052 37.584 38.000 -0.779 0.000 1.067 459 I HN -0.073 nan 8.210 nan 0.000 0.413 460 A N 0.717 123.491 122.820 -0.077 0.000 1.933 460 A HA -0.224 4.095 4.320 -0.002 0.000 0.218 460 A C 2.272 179.878 177.584 0.037 0.000 1.175 460 A CA 1.653 53.671 52.037 -0.031 0.000 0.628 460 A CB -0.458 18.541 19.000 -0.001 0.000 0.814 460 A HN 0.422 nan 8.150 nan 0.000 0.444 461 K N -0.484 119.936 120.400 0.032 0.000 2.103 461 K HA -0.063 4.256 4.320 -0.002 0.000 0.204 461 K C 1.371 178.025 176.600 0.089 0.000 1.052 461 K CA 1.267 57.590 56.287 0.059 0.000 0.945 461 K CB -0.167 32.359 32.500 0.044 0.000 0.722 461 K HN 0.344 nan 8.250 nan 0.000 0.443 462 N N 0.099 118.846 118.700 0.079 0.000 2.409 462 N HA -0.095 4.644 4.740 -0.002 0.000 0.179 462 N C -0.048 175.528 175.510 0.111 0.000 1.032 462 N CA 0.268 53.370 53.050 0.087 0.000 0.898 462 N CB -0.155 38.380 38.487 0.080 0.000 0.971 462 N HN 0.204 nan 8.380 nan 0.000 0.441 463 W N 3.015 124.290 121.300 -0.042 0.000 2.443 463 W HA -0.030 4.629 4.660 -0.002 0.000 0.335 463 W C 0.486 176.999 176.519 -0.011 0.000 1.382 463 W CA 0.305 57.628 57.345 -0.037 0.000 1.305 463 W CB 0.257 29.675 29.460 -0.069 0.000 1.283 463 W HN -0.217 nan 8.180 nan 0.000 0.567 464 K N 7.514 127.556 120.400 -0.596 0.000 2.376 464 K HA 0.339 4.658 4.320 -0.002 0.000 0.257 464 K C -1.080 174.917 176.600 -1.005 0.000 0.939 464 K CA -0.940 55.030 56.287 -0.528 0.000 0.809 464 K CB 0.994 33.338 32.500 -0.259 0.000 1.121 464 K HN 0.642 nan 8.250 nan 0.000 0.425 465 L N 4.780 125.544 121.223 -0.765 0.000 2.433 465 L HA 0.103 4.442 4.340 -0.002 0.000 0.275 465 L C 1.161 177.867 176.870 -0.274 0.000 1.128 465 L CA 0.085 54.590 54.840 -0.559 0.000 0.875 465 L CB 0.789 42.829 42.059 -0.032 0.000 1.171 465 L HN 0.867 nan 8.230 nan 0.000 0.463 466 E N 4.260 124.323 120.200 -0.230 0.000 2.086 466 E HA -0.036 4.313 4.350 -0.002 0.000 0.190 466 E C -0.210 176.350 176.600 -0.065 0.000 0.975 466 E CA 0.741 57.071 56.400 -0.117 0.000 0.813 466 E CB 0.474 30.126 29.700 -0.081 0.000 0.768 466 E HN 0.804 nan 8.360 nan 0.000 0.457 467 E N -0.269 119.915 120.200 -0.027 0.000 2.478 467 E HA 0.157 4.506 4.350 -0.002 0.000 0.293 467 E C -1.498 175.074 176.600 -0.046 0.000 1.011 467 E CA -0.480 55.865 56.400 -0.092 0.000 0.834 467 E CB 1.203 30.798 29.700 -0.174 0.000 1.226 467 E HN -0.080 nan 8.360 nan 0.000 0.419 468 K N 3.510 123.824 120.400 -0.143 0.000 2.098 468 K HA 0.508 4.827 4.320 -0.002 0.000 0.258 468 K C -1.397 175.042 176.600 -0.268 0.000 0.973 468 K CA -0.510 55.761 56.287 -0.026 0.000 0.898 468 K CB 0.669 33.175 32.500 0.010 0.000 1.057 468 K HN 0.314 nan 8.250 nan 0.000 0.447 469 F N 1.856 121.809 119.950 0.004 0.000 2.507 469 F HA 0.284 4.810 4.527 -0.002 0.000 0.328 469 F C -0.291 175.494 175.800 -0.026 0.000 1.136 469 F CA -0.858 57.133 58.000 -0.016 0.000 0.930 469 F CB 1.724 40.706 39.000 -0.031 0.000 1.166 469 F HN 0.386 nan 8.300 nan 0.000 0.436 470 D N 4.300 124.752 120.400 0.086 0.000 2.163 470 D HA 0.327 4.966 4.640 -0.002 0.000 0.248 470 D C -2.567 173.747 176.300 0.023 0.000 1.035 470 D CA -1.611 52.411 54.000 0.037 0.000 0.872 470 D CB 1.742 42.543 40.800 0.003 0.000 1.183 470 D HN 0.100 nan 8.370 nan 0.000 0.445 471 P HA 0.106 nan 4.420 nan 0.000 0.265 471 P C -0.445 176.835 177.300 -0.032 0.000 1.193 471 P CA 0.248 63.325 63.100 -0.040 0.000 0.765 471 P CB 0.795 32.463 31.700 -0.055 0.000 0.823 475 E N 0.979 121.175 120.200 -0.007 0.000 2.049 475 E HA -0.152 4.197 4.350 -0.002 0.000 0.198 475 E C 1.984 178.596 176.600 0.020 0.000 1.007 475 E CA 1.983 58.383 56.400 -0.000 0.000 0.809 475 E CB -0.787 28.914 29.700 0.001 0.000 0.749 475 E HN 0.713 nan 8.360 nan 0.000 0.450 476 G N 1.469 110.283 108.800 0.023 0.000 2.808 476 G HA2 -0.412 3.547 3.960 -0.002 0.000 0.225 476 G HA3 -0.412 3.547 3.960 -0.002 0.000 0.225 476 G C 1.522 176.454 174.900 0.053 0.000 1.210 476 G CA 1.494 46.615 45.100 0.036 0.000 0.777 476 G HN 0.416 nan 8.290 nan 0.000 0.640 477 E N -0.240 119.991 120.200 0.051 0.000 2.107 477 E HA -0.071 4.277 4.350 -0.002 0.000 0.191 477 E C 2.545 179.199 176.600 0.090 0.000 0.982 477 E CA 0.468 56.913 56.400 0.075 0.000 0.809 477 E CB -0.129 29.611 29.700 0.066 0.000 0.756 477 E HN 0.422 nan 8.360 nan 0.000 0.459 478 R N 0.519 121.048 120.500 0.047 0.000 2.097 478 R HA -0.184 4.155 4.340 -0.002 0.000 0.236 478 R C 1.949 178.320 176.300 0.118 0.000 1.135 478 R CA 1.941 58.062 56.100 0.035 0.000 0.934 478 R CB -0.115 30.167 30.300 -0.030 0.000 0.846 478 R HN 0.153 nan 8.270 nan 0.000 0.431 479 E N 0.456 120.718 120.200 0.105 0.000 2.274 479 E HA -0.167 4.182 4.350 -0.002 0.000 0.194 479 E C 1.764 178.475 176.600 0.186 0.000 0.996 479 E CA 0.718 57.212 56.400 0.156 0.000 0.840 479 E CB -0.112 29.650 29.700 0.104 0.000 0.772 479 E HN 0.392 nan 8.360 nan 0.000 0.491 480 K N 1.143 121.637 120.400 0.158 0.000 2.002 480 K HA -0.100 4.218 4.320 -0.002 0.000 0.209 480 K C 2.288 179.028 176.600 0.233 0.000 1.048 480 K CA 0.890 57.273 56.287 0.161 0.000 0.930 480 K CB -0.128 32.455 32.500 0.138 0.000 0.714 480 K HN 0.033 nan 8.250 nan 0.000 0.438 481 L N -0.090 121.318 121.223 0.307 0.000 2.012 481 L HA -0.232 4.106 4.340 -0.002 0.000 0.210 481 L C 2.600 179.751 176.870 0.468 0.000 1.073 481 L CA 1.527 56.653 54.840 0.478 0.000 0.748 481 L CB -0.659 41.737 42.059 0.562 0.000 0.891 481 L HN 0.289 nan 8.230 nan 0.000 0.431 482 Y N 0.651 121.124 120.300 0.287 0.000 2.200 482 Y HA -0.232 4.317 4.550 -0.002 0.000 0.290 482 Y C 2.894 178.853 175.900 0.099 0.000 1.137 482 Y CA 1.461 59.694 58.100 0.222 0.000 1.163 482 Y CB -0.287 38.294 38.460 0.200 0.000 0.988 482 Y HN 0.003 nan 8.280 nan 0.000 0.518 483 R N -0.281 120.303 120.500 0.139 0.000 2.103 483 R HA -0.180 4.158 4.340 -0.002 0.000 0.242 483 R C 2.341 178.548 176.300 -0.155 0.000 1.142 483 R CA 1.682 57.779 56.100 -0.005 0.000 0.960 483 R CB -0.873 29.456 30.300 0.049 0.000 0.858 483 R HN 0.513 nan 8.270 nan 0.000 0.439 484 G N 0.353 109.069 108.800 -0.141 0.000 2.394 484 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.215 484 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.215 484 G C 1.308 175.624 174.900 -0.974 0.000 1.165 484 G CA 0.426 45.301 45.100 -0.376 0.000 0.784 484 G HN 0.583 nan 8.290 nan 0.000 0.535 485 W N 1.772 122.319 121.300 -1.256 0.000 2.318 485 W HA -0.133 4.525 4.660 -0.002 0.000 0.313 485 W C 2.010 178.037 176.519 -0.821 0.000 1.221 485 W CA 1.621 58.202 57.345 -1.274 0.000 1.266 485 W CB -0.032 28.732 29.460 -1.160 0.000 1.150 485 W HN 0.068 nan 8.180 nan 0.000 0.496 486 K N 0.916 120.873 120.400 -0.738 0.000 2.032 486 K HA -0.195 4.123 4.320 -0.002 0.000 0.209 486 K C 1.832 178.052 176.600 -0.632 0.000 1.048 486 K CA 1.897 57.794 56.287 -0.650 0.000 0.927 486 K CB -0.669 31.596 32.500 -0.392 0.000 0.712 486 K HN 0.161 nan 8.250 nan 0.000 0.441 487 K N 0.706 120.771 120.400 -0.559 0.000 2.063 487 K HA -0.095 4.224 4.320 -0.002 0.000 0.208 487 K C 2.129 178.298 176.600 -0.717 0.000 1.048 487 K CA 1.403 57.383 56.287 -0.512 0.000 0.928 487 K CB -0.354 31.910 32.500 -0.393 0.000 0.713 487 K HN 0.183 nan 8.250 nan 0.000 0.442 488 A N 0.568 122.842 122.820 -0.909 0.000 1.940 488 A HA -0.157 4.162 4.320 -0.002 0.000 0.219 488 A C 2.315 179.296 177.584 -1.006 0.000 1.176 488 A CA 1.784 53.151 52.037 -1.116 0.000 0.631 488 A CB -0.734 17.736 19.000 -0.884 0.000 0.814 488 A HN 0.093 nan 8.150 nan 0.000 0.446 489 V N -0.129 119.164 119.914 -1.036 0.000 2.548 489 V HA -0.218 3.901 4.120 -0.002 0.000 0.249 489 V C 2.318 178.021 176.094 -0.652 0.000 1.055 489 V CA 2.009 63.749 62.300 -0.934 0.000 1.065 489 V CB -0.816 30.299 31.823 -1.180 0.000 0.681 489 V HN 0.616 nan 8.190 nan 0.000 0.462 490 E N 0.776 120.644 120.200 -0.552 0.000 2.017 490 E HA -0.197 4.152 4.350 -0.002 0.000 0.193 490 E C 2.419 178.835 176.600 -0.308 0.000 0.997 490 E CA 1.338 57.521 56.400 -0.362 0.000 0.804 490 E CB -0.413 29.111 29.700 -0.294 0.000 0.757 490 E HN 0.550 nan 8.360 nan 0.000 0.448 491 A N 1.029 123.607 122.820 -0.403 0.000 1.927 491 A HA -0.265 4.054 4.320 -0.002 0.000 0.220 491 A C 2.392 179.941 177.584 -0.058 0.000 1.185 491 A CA 2.268 54.133 52.037 -0.287 0.000 0.639 491 A CB -1.153 17.478 19.000 -0.614 0.000 0.820 491 A HN 0.225 nan 8.150 nan 0.000 0.451 492 T N 0.056 114.550 114.554 -0.100 0.000 2.652 492 T HA -0.220 4.128 4.350 -0.002 0.000 0.267 492 T C 1.995 176.701 174.700 0.011 0.000 1.039 492 T CA 1.859 63.983 62.100 0.039 0.000 1.153 492 T CB -0.343 68.460 68.868 -0.108 0.000 0.863 492 T HN 0.676 nan 8.240 nan 0.000 0.428 493 Q N 0.210 119.953 119.800 -0.095 0.000 2.291 493 Q HA -0.049 4.290 4.340 -0.002 0.000 0.206 493 Q C 2.398 178.393 176.000 -0.008 0.000 0.976 493 Q CA 0.793 56.560 55.803 -0.060 0.000 0.875 493 Q CB -0.266 28.408 28.738 -0.107 0.000 0.927 493 Q HN 0.361 nan 8.270 nan 0.000 0.450 494 V N 0.156 120.075 119.914 0.008 0.000 2.548 494 V HA -0.144 3.975 4.120 -0.002 0.000 0.249 494 V C 0.822 176.962 176.094 0.075 0.000 1.055 494 V CA 0.780 63.097 62.300 0.028 0.000 1.065 494 V CB -0.310 31.529 31.823 0.025 0.000 0.681 494 V HN 0.259 nan 8.190 nan 0.000 0.462 495 F N 2.895 122.840 119.950 -0.008 0.000 2.439 495 F HA 0.433 4.959 4.527 -0.002 0.000 0.356 495 F C 0.277 176.074 175.800 -0.006 0.000 1.161 495 F CA -0.133 57.866 58.000 -0.001 0.000 1.151 495 F CB -0.446 38.556 39.000 0.004 0.000 1.222 495 F HN -0.025 nan 8.300 nan 0.000 0.558 496 K N 3.464 123.575 120.400 -0.482 0.000 2.523 496 K HA 0.427 4.746 4.320 -0.002 0.000 0.257 496 K C -0.584 175.771 176.600 -0.409 0.000 0.932 496 K CA -0.928 55.132 56.287 -0.380 0.000 0.812 496 K CB 2.229 34.642 32.500 -0.146 0.000 1.326 496 K HN 0.533 nan 8.250 nan 0.000 0.433 497 T N 0.000 114.362 114.554 -0.320 0.000 3.816 497 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 497 T CA 0.000 61.968 62.100 -0.221 0.000 1.349 497 T CB 0.000 68.743 68.868 -0.209 0.000 0.612 497 T HN 0.000 nan 8.240 nan 0.000 0.658