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 1yni_1_B DATA FIRST_RESID 2 DATA SEQUENCE NAWEVNFDGL VGLTHHYAGL SFGNEASTRH RFQVSNPRLA AKQGLLKMKA DATA SEQUENCE LADAGFPQAV IPPHERPFIP VLRQLGFSGS DEQVLEKVAR QAPHWLSSVS DATA SEQUENCE SASPMWVANA ATIAPSADTL DGKVHLTVAN LNNKFHRSLE APVTESLLKA DATA SEQUENCE IFNDEEKFSV HSALPQVALL GDEGAANHNR LGGHYGEPGM QLFVYGREEG DATA SEQUENCE NDTRPSRYPA RQTREASEAV ARLNQVNPQQ VIFAQQNPDV IDQGVFHNDV DATA SEQUENCE IAVSNRQVLF CHQQAFARQS QLLANLRARV NGFMAIEVPA TQVSVSDTVS DATA SEQUENCE TYLFNSQLLS RDDGSMMLVL PQECREHAGV WGYLNELLAA DNPISELKVF DATA SEQUENCE DLRESMANGG GPASLRLRVV LTEEERRAVN PAVMMNDTLF NALNDWVDRY DATA SEQUENCE YRDRLTAADL ADPQLLREGR EALDVLSQLL NLGSVYPFQR 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.566 175.510 0.093 0.000 1.280 2 N CA 0.000 53.102 53.050 0.086 0.000 0.885 2 N CB 0.000 38.523 38.487 0.060 0.000 1.341 3 A N 0.580 123.509 122.820 0.182 0.000 2.288 3 A HA 0.992 5.313 4.320 0.002 0.000 0.328 3 A C -1.087 176.773 177.584 0.461 0.000 1.123 3 A CA -0.571 51.570 52.037 0.174 0.000 0.861 3 A CB 0.895 19.991 19.000 0.159 0.000 1.272 3 A HN 0.685 nan 8.150 nan 0.000 0.490 4 W N -0.163 121.222 121.300 0.142 0.000 2.706 4 W HA 0.534 5.192 4.660 -0.004 0.000 0.346 4 W C 0.094 176.581 176.519 -0.053 0.000 1.071 4 W CA -1.049 56.365 57.345 0.115 0.000 1.206 4 W CB 0.872 30.392 29.460 0.100 0.000 1.413 4 W HN 0.799 nan 8.180 nan 0.000 0.542 5 E N 1.310 121.453 120.200 -0.095 0.000 2.194 5 E HA 0.399 4.750 4.350 0.002 0.000 0.284 5 E C -1.147 175.477 176.600 0.040 0.000 1.035 5 E CA -0.176 56.062 56.400 -0.270 0.000 0.836 5 E CB 1.051 30.274 29.700 -0.796 0.000 1.070 5 E HN 0.169 nan 8.360 nan 0.000 0.401 6 V N 5.466 125.476 119.914 0.160 0.000 2.398 6 V HA 0.212 4.333 4.120 0.002 0.000 0.286 6 V C -0.062 176.177 176.094 0.241 0.000 1.026 6 V CA -1.030 61.394 62.300 0.206 0.000 0.868 6 V CB 1.449 33.451 31.823 0.299 0.000 0.982 6 V HN 0.656 nan 8.190 nan 0.000 0.443 7 N N 3.975 122.735 118.700 0.100 0.000 2.444 7 N HA 0.418 5.159 4.740 0.002 0.000 0.271 7 N C -1.075 174.463 175.510 0.047 0.000 1.069 7 N CA -0.065 53.059 53.050 0.122 0.000 0.965 7 N CB 1.226 39.737 38.487 0.040 0.000 1.092 7 N HN 0.439 nan 8.380 nan 0.000 0.476 8 F N 1.150 121.132 119.950 0.053 0.000 2.375 8 F HA 0.273 4.801 4.527 0.001 0.000 0.361 8 F C 0.435 176.259 175.800 0.040 0.000 1.117 8 F CA -0.864 57.167 58.000 0.052 0.000 1.037 8 F CB 1.002 40.058 39.000 0.094 0.000 1.192 8 F HN 0.236 nan 8.300 nan 0.000 0.452 9 D N 1.159 121.635 120.400 0.127 0.000 2.229 9 D HA 0.488 5.129 4.640 0.002 0.000 0.249 9 D C 0.251 176.602 176.300 0.084 0.000 1.027 9 D CA -0.238 53.815 54.000 0.088 0.000 0.923 9 D CB 1.433 42.247 40.800 0.024 0.000 1.174 9 D HN 0.620 nan 8.370 nan 0.000 0.443 10 G N 0.657 109.494 108.800 0.061 0.000 2.339 10 G HA2 0.399 4.360 3.960 0.002 0.000 0.287 10 G HA3 0.399 4.360 3.960 0.002 0.000 0.287 10 G C -0.694 174.212 174.900 0.009 0.000 1.163 10 G CA -0.441 44.679 45.100 0.034 0.000 0.872 10 G HN 0.366 nan 8.290 nan 0.000 0.464 11 L N 4.665 125.913 121.223 0.042 0.000 2.325 11 L HA 0.311 4.652 4.340 0.002 0.000 0.284 11 L C 0.457 177.379 176.870 0.086 0.000 1.089 11 L CA -0.309 54.572 54.840 0.067 0.000 0.836 11 L CB 0.828 42.944 42.059 0.095 0.000 1.184 11 L HN 0.283 nan 8.230 nan 0.000 0.444 12 V N 5.795 125.727 119.914 0.029 0.000 2.644 12 V HA 0.133 4.254 4.120 0.002 0.000 0.305 12 V C 1.413 177.635 176.094 0.214 0.000 1.053 12 V CA 0.550 62.850 62.300 0.000 0.000 1.186 12 V CB -0.181 31.582 31.823 -0.099 0.000 0.895 12 V HN 0.966 nan 8.190 nan 0.000 0.490 13 G N 3.659 112.523 108.800 0.108 0.000 2.572 13 G HA2 0.379 4.340 3.960 0.002 0.000 0.261 13 G HA3 0.379 4.340 3.960 0.002 0.000 0.261 13 G C 0.541 175.413 174.900 -0.046 0.000 1.197 13 G CA -0.801 44.362 45.100 0.105 0.000 0.870 13 G HN 0.656 nan 8.290 nan 0.000 0.548 14 L N 0.472 121.442 121.223 -0.422 0.000 2.456 14 L HA 0.064 4.405 4.340 0.002 0.000 0.224 14 L C 2.726 179.420 176.870 -0.293 0.000 1.148 14 L CA 1.814 56.212 54.840 -0.738 0.000 0.825 14 L CB -0.741 40.795 42.059 -0.871 0.000 0.937 14 L HN 0.682 nan 8.230 nan 0.000 0.450 15 T N -5.072 109.401 114.554 -0.135 0.000 3.145 15 T HA 0.079 4.430 4.350 0.002 0.000 0.255 15 T C 0.661 175.411 174.700 0.083 0.000 1.039 15 T CA -0.493 61.586 62.100 -0.036 0.000 0.928 15 T CB -0.913 67.945 68.868 -0.016 0.000 1.029 15 T HN 0.288 nan 8.240 nan 0.000 0.554 16 H N 3.703 122.731 119.070 -0.070 0.000 3.192 16 H HA 0.181 4.738 4.556 0.002 0.000 0.295 16 H C 0.363 175.600 175.328 -0.152 0.000 0.943 16 H CA 0.696 56.654 56.048 -0.150 0.000 1.416 16 H CB -0.152 29.520 29.762 -0.150 0.000 1.434 16 H HN 0.666 nan 8.280 nan 0.000 0.565 17 H N 2.993 121.574 119.070 -0.815 0.000 2.948 17 H HA 0.189 4.746 4.556 0.002 0.000 0.315 17 H C -1.623 173.202 175.328 -0.839 0.000 1.360 17 H CA -1.027 54.534 56.048 -0.811 0.000 1.125 17 H CB 0.301 29.848 29.762 -0.359 0.000 1.844 17 H HN 0.593 nan 8.280 nan 0.000 0.529 18 Y N 0.262 120.429 120.300 -0.223 0.000 2.369 18 Y HA 0.567 5.118 4.550 0.002 0.000 0.337 18 Y C 0.562 176.261 175.900 -0.335 0.000 0.961 18 Y CA -0.269 57.681 58.100 -0.251 0.000 1.186 18 Y CB 1.873 40.246 38.460 -0.144 0.000 1.139 18 Y HN 0.828 nan 8.280 nan 0.000 0.494 19 A N 2.269 124.917 122.820 -0.286 0.000 2.551 19 A HA 0.448 4.769 4.320 0.002 0.000 0.252 19 A C 1.415 178.749 177.584 -0.417 0.000 1.199 19 A CA 0.125 51.879 52.037 -0.472 0.000 0.972 19 A CB -0.358 18.554 19.000 -0.145 0.000 1.153 19 A HN 1.161 nan 8.150 nan 0.000 0.559 20 G N 0.373 109.017 108.800 -0.260 0.000 2.366 20 G HA2 -0.257 3.704 3.960 0.002 0.000 0.299 20 G HA3 -0.257 3.704 3.960 0.002 0.000 0.299 20 G C 0.588 175.449 174.900 -0.066 0.000 1.020 20 G CA 0.693 45.716 45.100 -0.128 0.000 1.026 20 G HN 0.570 nan 8.290 nan 0.000 0.512 21 L N -0.568 120.571 121.223 -0.140 0.000 2.509 21 L HA 0.166 4.507 4.340 0.002 0.000 0.222 21 L C 1.256 178.117 176.870 -0.016 0.000 1.123 21 L CA 0.742 55.497 54.840 -0.141 0.000 0.856 21 L CB 0.230 41.937 42.059 -0.586 0.000 0.985 21 L HN 0.264 nan 8.230 nan 0.000 0.456 22 S N 0.704 116.379 115.700 -0.042 0.000 2.475 22 S HA 0.260 4.731 4.470 0.002 0.000 0.249 22 S C -0.359 174.167 174.600 -0.123 0.000 1.298 22 S CA -0.552 57.611 58.200 -0.061 0.000 1.125 22 S CB 0.002 63.075 63.200 -0.212 0.000 1.054 22 S HN 0.090 nan 8.310 nan 0.000 0.484 23 F N 2.884 122.746 119.950 -0.146 0.000 2.578 23 F HA 0.460 4.988 4.527 0.002 0.000 0.376 23 F C 1.301 176.896 175.800 -0.342 0.000 1.085 23 F CA 1.203 59.097 58.000 -0.176 0.000 1.260 23 F CB 0.077 39.053 39.000 -0.040 0.000 1.095 23 F HN 0.697 nan 8.300 nan 0.000 0.573 24 G N 3.870 111.856 108.800 -1.357 0.000 2.238 24 G HA2 -0.273 3.688 3.960 0.002 0.000 0.217 24 G HA3 -0.273 3.688 3.960 0.002 0.000 0.217 24 G C -0.100 174.227 174.900 -0.955 0.000 0.996 24 G CA 0.016 44.178 45.100 -1.562 0.000 0.632 24 G HN 0.865 nan 8.290 nan 0.000 0.503 25 N N 1.484 119.714 118.700 -0.783 0.000 2.699 25 N HA 0.356 5.097 4.740 0.002 0.000 0.232 25 N C 1.192 176.498 175.510 -0.340 0.000 1.027 25 N CA 0.002 52.658 53.050 -0.657 0.000 0.920 25 N CB 0.652 38.506 38.487 -1.055 0.000 1.148 25 N HN 0.507 nan 8.380 nan 0.000 0.509 26 E N 1.759 121.845 120.200 -0.190 0.000 2.153 26 E HA -0.177 4.174 4.350 0.002 0.000 0.194 26 E C 1.331 177.904 176.600 -0.044 0.000 0.988 26 E CA 1.278 57.617 56.400 -0.101 0.000 0.811 26 E CB 0.099 29.793 29.700 -0.010 0.000 0.746 26 E HN 0.710 nan 8.360 nan 0.000 0.466 27 A N 1.366 124.188 122.820 0.003 0.000 1.873 27 A HA -0.198 4.123 4.320 0.002 0.000 0.215 27 A C 2.321 179.952 177.584 0.079 0.000 1.186 27 A CA 1.757 53.829 52.037 0.059 0.000 0.616 27 A CB -0.634 18.390 19.000 0.039 0.000 0.823 27 A HN 0.252 nan 8.150 nan 0.000 0.442 28 S N -0.873 114.818 115.700 -0.016 0.000 2.359 28 S HA -0.182 4.289 4.470 0.002 0.000 0.224 28 S C 2.057 176.644 174.600 -0.022 0.000 1.035 28 S CA 2.456 60.645 58.200 -0.019 0.000 1.018 28 S CB -0.725 62.399 63.200 -0.127 0.000 0.876 28 S HN 0.576 nan 8.310 nan 0.000 0.448 29 T N 1.320 115.842 114.554 -0.053 0.000 2.777 29 T HA -0.034 4.317 4.350 0.002 0.000 0.266 29 T C 1.936 176.619 174.700 -0.029 0.000 1.040 29 T CA 1.465 63.553 62.100 -0.021 0.000 1.141 29 T CB -0.290 68.575 68.868 -0.005 0.000 0.868 29 T HN 0.487 nan 8.240 nan 0.000 0.444 30 R N 0.065 120.516 120.500 -0.082 0.000 2.189 30 R HA -0.027 4.314 4.340 0.002 0.000 0.218 30 R C 1.551 177.666 176.300 -0.308 0.000 1.074 30 R CA 1.025 57.015 56.100 -0.183 0.000 0.991 30 R CB -0.015 30.136 30.300 -0.249 0.000 0.883 30 R HN 0.437 nan 8.270 nan 0.000 0.457 31 H N -0.249 118.754 119.070 -0.112 0.000 2.517 31 H HA 0.151 4.708 4.556 0.002 0.000 0.282 31 H C 1.020 176.265 175.328 -0.137 0.000 1.023 31 H CA -0.112 55.817 56.048 -0.199 0.000 1.169 31 H CB 0.279 29.786 29.762 -0.424 0.000 1.454 31 H HN 0.186 nan 8.280 nan 0.000 0.556 32 R N 0.205 120.697 120.500 -0.013 0.000 2.335 32 R HA -0.264 4.077 4.340 0.002 0.000 0.202 32 R C 0.294 176.412 176.300 -0.304 0.000 1.086 32 R CA 2.512 58.550 56.100 -0.102 0.000 0.622 32 R CB -0.335 30.059 30.300 0.158 0.000 0.875 32 R HN 0.144 nan 8.270 nan 0.000 0.316 33 F N 0.753 120.766 119.950 0.104 0.000 2.772 33 F HA 0.241 4.769 4.527 0.002 0.000 0.302 33 F C 0.214 176.094 175.800 0.134 0.000 1.136 33 F CA -0.406 57.670 58.000 0.128 0.000 1.322 33 F CB 0.331 39.382 39.000 0.085 0.000 0.967 33 F HN 0.107 nan 8.300 nan 0.000 0.513 34 Q N 0.408 120.335 119.800 0.213 0.000 2.474 34 Q HA 0.217 4.558 4.340 0.002 0.000 0.256 34 Q C 0.207 176.368 176.000 0.268 0.000 1.048 34 Q CA -0.282 55.628 55.803 0.179 0.000 0.922 34 Q CB 1.213 29.988 28.738 0.061 0.000 1.288 34 Q HN -0.009 nan 8.270 nan 0.000 0.484 35 V N 1.722 121.759 119.914 0.204 0.000 2.715 35 V HA 0.096 4.217 4.120 0.002 0.000 0.299 35 V C 0.436 176.686 176.094 0.259 0.000 1.054 35 V CA 0.030 62.443 62.300 0.188 0.000 1.077 35 V CB 1.076 32.973 31.823 0.123 0.000 0.972 35 V HN 0.919 nan 8.190 nan 0.000 0.484 36 S N 3.009 118.812 115.700 0.172 0.000 2.664 36 S HA 0.497 4.968 4.470 0.002 0.000 0.304 36 S C -0.492 174.188 174.600 0.133 0.000 1.099 36 S CA -0.868 57.413 58.200 0.135 0.000 1.003 36 S CB 1.417 64.394 63.200 -0.372 0.000 1.092 36 S HN 0.768 nan 8.310 nan 0.000 0.525 37 N N 1.220 120.048 118.700 0.214 0.000 2.746 37 N HA 0.367 5.108 4.740 0.002 0.000 0.250 37 N C -2.319 173.331 175.510 0.234 0.000 1.146 37 N CA -2.204 50.954 53.050 0.179 0.000 0.828 37 N CB 1.247 39.821 38.487 0.145 0.000 1.158 37 N HN 0.296 nan 8.380 nan 0.000 0.519 38 P HA -0.213 nan 4.420 nan 0.000 0.214 38 P C 1.264 178.748 177.300 0.306 0.000 1.163 38 P CA 1.098 64.366 63.100 0.280 0.000 0.889 38 P CB 0.228 32.033 31.700 0.174 0.000 0.790 39 R N -0.526 120.133 120.500 0.265 0.000 2.094 39 R HA -0.192 4.149 4.340 0.002 0.000 0.239 39 R C 2.194 178.504 176.300 0.016 0.000 1.137 39 R CA 1.651 57.824 56.100 0.122 0.000 0.943 39 R CB -1.212 29.141 30.300 0.088 0.000 0.850 39 R HN 0.063 nan 8.270 nan 0.000 0.433 40 L N 0.609 121.863 121.223 0.051 0.000 2.046 40 L HA -0.099 4.242 4.340 0.002 0.000 0.208 40 L C 2.307 179.184 176.870 0.011 0.000 1.077 40 L CA 2.165 57.025 54.840 0.034 0.000 0.747 40 L CB -0.702 41.394 42.059 0.062 0.000 0.896 40 L HN 0.306 nan 8.230 nan 0.000 0.432 41 A N -0.320 122.499 122.820 -0.001 0.000 1.873 41 A HA -0.236 4.085 4.320 0.002 0.000 0.218 41 A C 2.476 180.006 177.584 -0.089 0.000 1.193 41 A CA 2.426 54.397 52.037 -0.110 0.000 0.629 41 A CB -1.418 17.357 19.000 -0.374 0.000 0.826 41 A HN 0.594 nan 8.150 nan 0.000 0.447 42 A N -0.652 122.124 122.820 -0.073 0.000 1.908 42 A HA -0.175 4.146 4.320 0.002 0.000 0.218 42 A C 2.117 179.660 177.584 -0.069 0.000 1.181 42 A CA 1.912 53.892 52.037 -0.096 0.000 0.627 42 A CB -0.410 18.421 19.000 -0.283 0.000 0.818 42 A HN 0.418 nan 8.150 nan 0.000 0.445 43 K N -0.196 120.163 120.400 -0.068 0.000 2.032 43 K HA -0.197 4.124 4.320 0.002 0.000 0.209 43 K C 2.184 178.812 176.600 0.047 0.000 1.048 43 K CA 1.842 58.120 56.287 -0.014 0.000 0.927 43 K CB -0.578 31.914 32.500 -0.013 0.000 0.712 43 K HN 0.708 nan 8.250 nan 0.000 0.441 44 Q N -0.386 119.436 119.800 0.036 0.000 2.061 44 Q HA -0.132 4.209 4.340 0.002 0.000 0.204 44 Q C 2.252 178.279 176.000 0.045 0.000 0.984 44 Q CA 1.706 57.546 55.803 0.061 0.000 0.846 44 Q CB -0.440 28.330 28.738 0.053 0.000 0.902 44 Q HN 0.500 nan 8.270 nan 0.000 0.421 45 G N 0.673 109.481 108.800 0.013 0.000 2.418 45 G HA2 -0.231 3.730 3.960 0.002 0.000 0.217 45 G HA3 -0.231 3.730 3.960 0.002 0.000 0.217 45 G C 1.366 176.269 174.900 0.005 0.000 1.158 45 G CA 0.599 45.694 45.100 -0.008 0.000 0.771 45 G HN 0.187 nan 8.290 nan 0.000 0.545 46 L N -0.117 121.149 121.223 0.072 0.000 2.141 46 L HA 0.039 4.380 4.340 0.002 0.000 0.209 46 L C 2.864 179.853 176.870 0.199 0.000 1.094 46 L CA 0.347 55.297 54.840 0.183 0.000 0.763 46 L CB -0.276 41.953 42.059 0.284 0.000 0.908 46 L HN 0.189 nan 8.230 nan 0.000 0.437 47 L N -0.331 120.996 121.223 0.174 0.000 2.056 47 L HA -0.230 4.111 4.340 0.002 0.000 0.207 47 L C 2.730 179.573 176.870 -0.045 0.000 1.078 47 L CA 1.324 56.236 54.840 0.119 0.000 0.749 47 L CB -0.478 41.698 42.059 0.195 0.000 0.901 47 L HN 0.263 nan 8.230 nan 0.000 0.433 48 K N 0.149 120.426 120.400 -0.205 0.000 2.097 48 K HA -0.170 4.151 4.320 0.002 0.000 0.205 48 K C 2.168 178.500 176.600 -0.448 0.000 1.050 48 K CA 1.327 57.180 56.287 -0.724 0.000 0.938 48 K CB 0.010 32.034 32.500 -0.792 0.000 0.718 48 K HN 0.223 nan 8.250 nan 0.000 0.442 49 M N 0.448 119.906 119.600 -0.236 0.000 2.067 49 M HA -0.197 4.284 4.480 0.002 0.000 0.260 49 M C 2.261 178.456 176.300 -0.176 0.000 1.069 49 M CA 1.614 56.817 55.300 -0.162 0.000 1.117 49 M CB -0.283 32.269 32.600 -0.080 0.000 1.334 49 M HN -0.064 nan 8.290 nan 0.000 0.407 50 K N 0.783 121.024 120.400 -0.266 0.000 2.063 50 K HA -0.091 4.230 4.320 0.002 0.000 0.208 50 K C 1.819 178.282 176.600 -0.228 0.000 1.048 50 K CA 1.889 57.921 56.287 -0.426 0.000 0.928 50 K CB -0.613 31.237 32.500 -1.083 0.000 0.713 50 K HN 0.297 nan 8.250 nan 0.000 0.442 51 A N 0.693 123.444 122.820 -0.115 0.000 1.865 51 A HA -0.151 4.170 4.320 0.002 0.000 0.217 51 A C 2.260 179.911 177.584 0.112 0.000 1.191 51 A CA 1.872 53.956 52.037 0.077 0.000 0.623 51 A CB -0.852 18.380 19.000 0.387 0.000 0.826 51 A HN 0.321 nan 8.150 nan 0.000 0.444 52 L N -0.953 120.309 121.223 0.066 0.000 2.083 52 L HA -0.193 4.148 4.340 0.002 0.000 0.209 52 L C 3.108 180.105 176.870 0.210 0.000 1.083 52 L CA 0.991 55.933 54.840 0.171 0.000 0.752 52 L CB -0.717 41.346 42.059 0.006 0.000 0.899 52 L HN 0.480 nan 8.230 nan 0.000 0.433 53 A N 0.227 123.077 122.820 0.049 0.000 1.858 53 A HA -0.237 4.084 4.320 0.002 0.000 0.216 53 A C 1.948 179.529 177.584 -0.004 0.000 1.190 53 A CA 1.971 54.014 52.037 0.011 0.000 0.617 53 A CB -0.609 18.356 19.000 -0.058 0.000 0.827 53 A HN 0.360 nan 8.150 nan 0.000 0.443 54 D N 0.172 120.558 120.400 -0.022 0.000 2.182 54 D HA -0.101 4.540 4.640 0.002 0.000 0.201 54 D C 1.936 178.227 176.300 -0.015 0.000 0.986 54 D CA 1.478 55.462 54.000 -0.027 0.000 0.847 54 D CB -0.342 40.440 40.800 -0.031 0.000 0.942 54 D HN 0.460 nan 8.370 nan 0.000 0.467 55 A N -0.211 122.636 122.820 0.045 0.000 2.239 55 A HA 0.314 4.635 4.320 0.002 0.000 0.209 55 A C 1.780 179.214 177.584 -0.251 0.000 1.171 55 A CA 1.277 53.330 52.037 0.026 0.000 0.768 55 A CB -0.185 18.996 19.000 0.301 0.000 0.790 55 A HN 0.293 nan 8.150 nan 0.000 0.478 56 G N -2.315 106.344 108.800 -0.235 0.000 2.144 56 G HA2 -0.211 3.750 3.960 0.002 0.000 0.218 56 G HA3 -0.211 3.750 3.960 0.002 0.000 0.218 56 G C -0.120 174.465 174.900 -0.525 0.000 0.988 56 G CA -0.059 44.802 45.100 -0.397 0.000 0.659 56 G HN 0.379 nan 8.290 nan 0.000 0.522 57 F N 1.460 121.362 119.950 -0.079 0.000 2.334 57 F HA 0.479 5.008 4.527 0.003 0.000 0.367 57 F C -1.725 174.041 175.800 -0.056 0.000 1.115 57 F CA -2.458 55.498 58.000 -0.073 0.000 1.116 57 F CB 1.385 40.361 39.000 -0.040 0.000 1.230 57 F HN -0.180 nan 8.300 nan 0.000 0.484 58 P HA -0.123 nan 4.420 nan 0.000 0.257 58 P C -0.781 176.533 177.300 0.023 0.000 1.153 58 P CA 0.524 63.684 63.100 0.101 0.000 0.762 58 P CB 0.382 32.217 31.700 0.226 0.000 0.743 59 Q N 2.796 122.560 119.800 -0.060 0.000 2.372 59 Q HA 0.773 5.114 4.340 0.002 0.000 0.273 59 Q C -1.553 174.281 176.000 -0.277 0.000 1.078 59 Q CA -0.796 54.921 55.803 -0.144 0.000 0.806 59 Q CB 2.031 30.720 28.738 -0.081 0.000 1.332 59 Q HN 0.451 nan 8.270 nan 0.000 0.435 60 A N 1.983 124.547 122.820 -0.428 0.000 2.564 60 A HA 0.902 5.223 4.320 0.002 0.000 0.288 60 A C -1.460 175.973 177.584 -0.251 0.000 1.164 60 A CA -0.521 51.216 52.037 -0.500 0.000 0.712 60 A CB 1.434 19.726 19.000 -1.180 0.000 1.303 60 A HN 0.530 nan 8.150 nan 0.000 0.418 61 V N 0.278 120.115 119.914 -0.128 0.000 2.823 61 V HA 0.587 4.708 4.120 0.002 0.000 0.312 61 V C -0.760 175.377 176.094 0.071 0.000 1.072 61 V CA -0.313 61.982 62.300 -0.009 0.000 0.937 61 V CB 1.752 33.557 31.823 -0.030 0.000 1.013 61 V HN 0.681 nan 8.190 nan 0.000 0.430 62 I N 5.186 125.815 120.570 0.099 0.000 2.447 62 I HA 0.402 4.573 4.170 0.002 0.000 0.287 62 I C -2.424 173.749 176.117 0.093 0.000 1.023 62 I CA -1.903 59.464 61.300 0.111 0.000 1.083 62 I CB 2.856 40.949 38.000 0.154 0.000 1.245 62 I HN 0.457 nan 8.210 nan 0.000 0.434 63 P HA 0.232 nan 4.420 nan 0.000 0.272 63 P C -2.657 174.799 177.300 0.259 0.000 1.230 63 P CA -1.227 61.953 63.100 0.133 0.000 0.788 63 P CB 0.060 31.833 31.700 0.120 0.000 0.949 64 P HA 0.156 nan 4.420 nan 0.000 0.275 64 P C -0.320 177.269 177.300 0.482 0.000 1.266 64 P CA 0.200 63.482 63.100 0.303 0.000 0.793 64 P CB 0.386 32.230 31.700 0.241 0.000 1.074 65 H N -1.635 117.501 119.070 0.110 0.000 2.570 65 H HA 0.276 4.833 4.556 0.001 0.000 0.342 65 H C -0.004 175.320 175.328 -0.006 0.000 1.245 65 H CA -0.856 55.274 56.048 0.138 0.000 1.318 65 H CB 0.203 29.999 29.762 0.056 0.000 1.694 65 H HN 0.418 nan 8.280 nan 0.000 0.592 66 E N 1.932 122.245 120.200 0.188 0.000 2.159 66 E HA 0.091 4.442 4.350 0.002 0.000 0.272 66 E C -0.606 176.123 176.600 0.216 0.000 1.138 66 E CA -0.275 56.227 56.400 0.169 0.000 0.915 66 E CB 0.051 30.039 29.700 0.481 0.000 1.028 66 E HN 0.267 nan 8.360 nan 0.000 0.423 67 R N 4.727 125.264 120.500 0.062 0.000 2.564 67 R HA 0.348 4.689 4.340 0.002 0.000 0.284 67 R C -2.682 173.599 176.300 -0.030 0.000 1.031 67 R CA -2.216 53.919 56.100 0.059 0.000 0.904 67 R CB 1.429 31.750 30.300 0.036 0.000 1.199 67 R HN 0.464 nan 8.270 nan 0.000 0.443 68 P HA 0.073 nan 4.420 nan 0.000 0.269 68 P C -0.589 176.785 177.300 0.123 0.000 1.209 68 P CA -0.146 62.981 63.100 0.044 0.000 0.776 68 P CB 0.323 32.018 31.700 -0.009 0.000 0.876 69 F N 4.050 124.005 119.950 0.008 0.000 2.384 69 F HA 0.176 4.704 4.527 0.002 0.000 0.359 69 F C 1.118 176.940 175.800 0.036 0.000 1.143 69 F CA -0.324 57.696 58.000 0.033 0.000 1.216 69 F CB -0.250 38.782 39.000 0.054 0.000 1.512 69 F HN 0.170 nan 8.300 nan 0.000 0.573 70 I N 5.937 126.380 120.570 -0.213 0.000 2.286 70 I HA -0.161 4.010 4.170 0.002 0.000 0.248 70 I C -0.489 175.488 176.117 -0.233 0.000 1.115 70 I CA 0.904 62.100 61.300 -0.174 0.000 1.392 70 I CB -2.049 35.867 38.000 -0.140 0.000 1.065 70 I HN 0.353 nan 8.210 nan 0.000 0.418 71 P HA -0.128 nan 4.420 nan 0.000 0.216 71 P C 2.221 179.450 177.300 -0.118 0.000 1.153 71 P CA 1.201 64.094 63.100 -0.346 0.000 0.858 71 P CB 0.021 31.376 31.700 -0.576 0.000 0.789 72 V N -0.857 119.046 119.914 -0.018 0.000 2.515 72 V HA -0.194 3.927 4.120 0.002 0.000 0.250 72 V C 2.366 178.520 176.094 0.100 0.000 1.058 72 V CA 1.452 63.850 62.300 0.163 0.000 1.064 72 V CB -1.144 30.886 31.823 0.345 0.000 0.675 72 V HN 0.098 nan 8.190 nan 0.000 0.461 73 L N -0.514 120.759 121.223 0.083 0.000 2.093 73 L HA -0.151 4.190 4.340 0.002 0.000 0.208 73 L C 2.773 179.751 176.870 0.179 0.000 1.085 73 L CA 1.579 56.500 54.840 0.134 0.000 0.755 73 L CB -0.599 41.506 42.059 0.077 0.000 0.904 73 L HN 0.261 nan 8.230 nan 0.000 0.435 74 R N -0.293 120.255 120.500 0.079 0.000 2.075 74 R HA -0.186 4.155 4.340 0.002 0.000 0.232 74 R C 2.239 178.546 176.300 0.011 0.000 1.126 74 R CA 1.088 57.220 56.100 0.052 0.000 0.963 74 R CB -0.327 29.977 30.300 0.007 0.000 0.858 74 R HN 0.395 nan 8.270 nan 0.000 0.435 75 Q N 0.783 120.588 119.800 0.008 0.000 2.291 75 Q HA -0.083 4.258 4.340 0.002 0.000 0.206 75 Q C 1.407 177.369 176.000 -0.065 0.000 0.976 75 Q CA 0.939 56.736 55.803 -0.010 0.000 0.875 75 Q CB 0.157 28.913 28.738 0.031 0.000 0.927 75 Q HN 0.376 nan 8.270 nan 0.000 0.450 76 L N -1.220 119.951 121.223 -0.086 0.000 2.611 76 L HA 0.198 4.539 4.340 0.002 0.000 0.229 76 L C 1.045 177.709 176.870 -0.343 0.000 1.137 76 L CA 0.480 55.191 54.840 -0.215 0.000 0.901 76 L CB 0.316 42.200 42.059 -0.292 0.000 1.098 76 L HN 0.434 nan 8.230 nan 0.000 0.456 77 G N -0.330 108.316 108.800 -0.256 0.000 2.176 77 G HA2 -0.276 3.685 3.960 0.002 0.000 0.232 77 G HA3 -0.276 3.685 3.960 0.002 0.000 0.232 77 G C 0.054 174.726 174.900 -0.380 0.000 0.986 77 G CA -0.564 44.332 45.100 -0.341 0.000 0.643 77 G HN 0.196 nan 8.290 nan 0.000 0.522 78 F N 2.710 122.640 119.950 -0.033 0.000 2.411 78 F HA 0.603 5.131 4.527 0.002 0.000 0.355 78 F C 1.056 176.845 175.800 -0.018 0.000 1.117 78 F CA 0.022 58.013 58.000 -0.014 0.000 1.139 78 F CB 1.607 40.604 39.000 -0.005 0.000 1.120 78 F HN 0.255 nan 8.300 nan 0.000 0.493 79 S N 1.956 117.740 115.700 0.140 0.000 2.766 79 S HA 1.002 5.473 4.470 0.002 0.000 0.307 79 S C -0.000 174.639 174.600 0.066 0.000 1.121 79 S CA -0.257 57.988 58.200 0.074 0.000 0.980 79 S CB 1.786 65.005 63.200 0.033 0.000 1.159 79 S HN 1.388 nan 8.310 nan 0.000 0.546 80 G N 0.575 109.397 108.800 0.037 0.000 2.422 80 G HA2 0.187 4.148 3.960 0.002 0.000 0.607 80 G HA3 0.187 4.148 3.960 0.002 0.000 0.607 80 G C -0.245 174.663 174.900 0.014 0.000 1.270 80 G CA -0.401 44.714 45.100 0.025 0.000 0.992 80 G HN 1.907 nan 8.290 nan 0.000 0.499 81 S N -0.201 115.503 115.700 0.007 0.000 2.596 81 S HA 0.409 4.880 4.470 0.002 0.000 0.260 81 S C 1.040 175.634 174.600 -0.010 0.000 1.336 81 S CA 0.804 59.003 58.200 -0.002 0.000 0.993 81 S CB 1.062 64.260 63.200 -0.004 0.000 0.923 81 S HN 0.628 nan 8.310 nan 0.000 0.567 82 D N 1.205 121.592 120.400 -0.021 0.000 2.126 82 D HA -0.156 4.485 4.640 0.002 0.000 0.190 82 D C 1.905 178.182 176.300 -0.037 0.000 1.001 82 D CA 2.124 56.102 54.000 -0.037 0.000 0.841 82 D CB -0.514 40.256 40.800 -0.051 0.000 0.949 82 D HN 0.828 nan 8.370 nan 0.000 0.446 83 E N 0.425 120.605 120.200 -0.033 0.000 2.118 83 E HA -0.203 4.148 4.350 0.002 0.000 0.195 83 E C 2.195 178.779 176.600 -0.027 0.000 0.992 83 E CA 0.815 57.195 56.400 -0.034 0.000 0.804 83 E CB -0.194 29.490 29.700 -0.028 0.000 0.741 83 E HN 0.439 nan 8.360 nan 0.000 0.458 84 Q N 0.452 120.244 119.800 -0.014 0.000 2.079 84 Q HA -0.115 4.226 4.340 0.002 0.000 0.200 84 Q C 2.438 178.437 176.000 -0.001 0.000 0.974 84 Q CA 1.179 56.981 55.803 -0.002 0.000 0.840 84 Q CB 0.017 28.761 28.738 0.011 0.000 0.898 84 Q HN 0.155 nan 8.270 nan 0.000 0.430 85 V N 0.875 120.787 119.914 -0.003 0.000 2.307 85 V HA -0.244 3.877 4.120 0.002 0.000 0.245 85 V C 2.164 178.211 176.094 -0.079 0.000 1.045 85 V CA 1.272 63.568 62.300 -0.006 0.000 1.024 85 V CB -0.444 31.383 31.823 0.005 0.000 0.651 85 V HN 0.278 nan 8.190 nan 0.000 0.449 86 L N 0.242 121.424 121.223 -0.068 0.000 2.012 86 L HA -0.185 4.156 4.340 0.002 0.000 0.210 86 L C 2.590 179.407 176.870 -0.087 0.000 1.073 86 L CA 2.185 56.975 54.840 -0.083 0.000 0.748 86 L CB -0.806 41.213 42.059 -0.066 0.000 0.891 86 L HN 0.436 nan 8.230 nan 0.000 0.431 87 E N -0.079 120.084 120.200 -0.061 0.000 2.017 87 E HA -0.253 4.098 4.350 0.002 0.000 0.193 87 E C 2.168 178.735 176.600 -0.056 0.000 0.997 87 E CA 1.535 57.906 56.400 -0.048 0.000 0.804 87 E CB -0.090 29.595 29.700 -0.025 0.000 0.757 87 E HN 0.482 nan 8.360 nan 0.000 0.448 88 K N 0.164 120.536 120.400 -0.048 0.000 2.020 88 K HA -0.150 4.171 4.320 0.002 0.000 0.212 88 K C 2.340 178.845 176.600 -0.159 0.000 1.050 88 K CA 1.823 58.092 56.287 -0.029 0.000 0.929 88 K CB -0.262 32.284 32.500 0.076 0.000 0.714 88 K HN 0.063 nan 8.250 nan 0.000 0.443 89 V N 1.248 120.926 119.914 -0.394 0.000 2.343 89 V HA -0.262 3.859 4.120 0.002 0.000 0.247 89 V C 2.393 178.358 176.094 -0.216 0.000 1.051 89 V CA 1.982 63.934 62.300 -0.580 0.000 1.036 89 V CB -0.805 30.650 31.823 -0.614 0.000 0.654 89 V HN 0.377 nan 8.190 nan 0.000 0.451 90 A N 0.332 123.070 122.820 -0.136 0.000 1.908 90 A HA -0.249 4.072 4.320 0.002 0.000 0.218 90 A C 2.345 179.906 177.584 -0.038 0.000 1.181 90 A CA 2.201 54.197 52.037 -0.069 0.000 0.627 90 A CB -0.413 18.551 19.000 -0.059 0.000 0.818 90 A HN 0.528 nan 8.150 nan 0.000 0.445 91 R N -0.918 119.563 120.500 -0.032 0.000 2.210 91 R HA 0.111 4.452 4.340 0.002 0.000 0.203 91 R C 2.200 178.516 176.300 0.026 0.000 1.010 91 R CA 1.095 57.194 56.100 -0.002 0.000 1.008 91 R CB -0.047 30.256 30.300 0.004 0.000 0.923 91 R HN 0.675 nan 8.270 nan 0.000 0.469 92 Q N -0.997 118.827 119.800 0.040 0.000 2.324 92 Q HA 0.301 4.642 4.340 0.002 0.000 0.207 92 Q C 0.043 176.134 176.000 0.152 0.000 0.928 92 Q CA 0.806 56.682 55.803 0.121 0.000 0.890 92 Q CB 0.939 29.823 28.738 0.243 0.000 1.001 92 Q HN 0.192 nan 8.270 nan 0.000 0.517 93 A N 1.386 124.276 122.820 0.117 0.000 3.474 93 A HA 0.241 4.562 4.320 0.002 0.000 0.251 93 A C -2.190 175.461 177.584 0.112 0.000 1.062 93 A CA -0.834 51.311 52.037 0.179 0.000 0.945 93 A CB 0.400 19.693 19.000 0.488 0.000 1.296 93 A HN -0.048 nan 8.150 nan 0.000 0.592 94 P HA -0.250 nan 4.420 nan 0.000 0.220 94 P C 1.041 178.387 177.300 0.076 0.000 1.144 94 P CA 1.551 64.677 63.100 0.042 0.000 0.800 94 P CB 0.074 31.789 31.700 0.026 0.000 0.772 95 H N -1.588 117.471 119.070 -0.019 0.000 2.462 95 H HA -0.039 4.518 4.556 0.002 0.000 0.292 95 H C 1.901 177.242 175.328 0.022 0.000 1.049 95 H CA 1.458 57.477 56.048 -0.048 0.000 1.334 95 H CB -0.788 28.856 29.762 -0.197 0.000 1.404 95 H HN 0.143 nan 8.280 nan 0.000 0.544 96 W N -0.576 120.769 121.300 0.074 0.000 2.436 96 W HA -0.087 4.574 4.660 0.001 0.000 0.284 96 W C 1.981 178.512 176.519 0.020 0.000 1.225 96 W CA -0.044 57.355 57.345 0.090 0.000 1.271 96 W CB -0.086 29.472 29.460 0.163 0.000 1.114 96 W HN 0.211 nan 8.180 nan 0.000 0.559 97 L N 0.247 121.580 121.223 0.183 0.000 2.013 97 L HA -0.274 4.067 4.340 0.002 0.000 0.212 97 L C 2.413 179.304 176.870 0.035 0.000 1.073 97 L CA 1.992 56.871 54.840 0.065 0.000 0.753 97 L CB -1.244 40.809 42.059 -0.008 0.000 0.890 97 L HN -0.204 nan 8.230 nan 0.000 0.432 98 S N -1.406 114.286 115.700 -0.014 0.000 2.368 98 S HA -0.155 4.316 4.470 0.002 0.000 0.225 98 S C 2.003 176.651 174.600 0.079 0.000 1.030 98 S CA 1.370 59.572 58.200 0.003 0.000 0.999 98 S CB -0.230 62.953 63.200 -0.028 0.000 0.844 98 S HN 0.490 nan 8.310 nan 0.000 0.459 99 S N 0.933 116.672 115.700 0.065 0.000 2.442 99 S HA -0.058 4.413 4.470 0.002 0.000 0.236 99 S C 1.649 176.351 174.600 0.169 0.000 1.007 99 S CA 1.194 59.505 58.200 0.186 0.000 0.965 99 S CB -0.105 63.401 63.200 0.510 0.000 0.773 99 S HN 0.579 nan 8.310 nan 0.000 0.504 100 V N -2.258 117.766 119.914 0.184 0.000 3.427 100 V HA 0.436 4.557 4.120 0.002 0.000 0.305 100 V C 0.529 176.710 176.094 0.146 0.000 1.412 100 V CA -0.047 62.352 62.300 0.166 0.000 1.086 100 V CB 0.474 32.429 31.823 0.220 0.000 0.964 100 V HN 0.199 nan 8.190 nan 0.000 0.439 101 S N 0.060 115.840 115.700 0.134 0.000 2.846 101 S HA 0.305 4.776 4.470 0.002 0.000 0.249 101 S C 0.606 175.344 174.600 0.230 0.000 1.028 101 S CA 0.180 58.453 58.200 0.122 0.000 1.043 101 S CB 0.463 63.673 63.200 0.017 0.000 0.990 101 S HN 0.569 nan 8.310 nan 0.000 0.564 102 S N 1.693 117.505 115.700 0.187 0.000 2.565 102 S HA 0.563 5.034 4.470 0.002 0.000 0.274 102 S C 0.888 175.483 174.600 -0.009 0.000 1.309 102 S CA -0.355 57.889 58.200 0.072 0.000 1.043 102 S CB 0.988 64.253 63.200 0.109 0.000 0.939 102 S HN 0.432 nan 8.310 nan 0.000 0.504 103 A N 3.545 126.310 122.820 -0.091 0.000 2.370 103 A HA 0.208 4.529 4.320 0.002 0.000 0.238 103 A C 1.910 179.299 177.584 -0.325 0.000 1.289 103 A CA 0.503 52.448 52.037 -0.153 0.000 0.885 103 A CB -0.927 18.010 19.000 -0.105 0.000 0.961 103 A HN 1.109 nan 8.150 nan 0.000 0.499 104 S N 1.510 117.088 115.700 -0.204 0.000 2.402 104 S HA -0.123 4.348 4.470 0.002 0.000 0.233 104 S C -0.181 174.291 174.600 -0.213 0.000 1.030 104 S CA 1.461 59.577 58.200 -0.141 0.000 1.003 104 S CB -1.472 61.870 63.200 0.238 0.000 0.813 104 S HN 0.532 nan 8.310 nan 0.000 0.477 105 P HA -0.121 nan 4.420 nan 0.000 0.229 105 P C 1.760 178.908 177.300 -0.255 0.000 1.150 105 P CA 1.094 63.989 63.100 -0.342 0.000 0.765 105 P CB -0.526 30.638 31.700 -0.893 0.000 0.783 106 M N -3.761 115.595 119.600 -0.405 0.000 2.267 106 M HA -0.069 4.412 4.480 0.002 0.000 0.263 106 M C 0.481 176.587 176.300 -0.324 0.000 1.063 106 M CA 1.449 56.500 55.300 -0.415 0.000 1.090 106 M CB -0.846 31.363 32.600 -0.653 0.000 1.392 106 M HN -0.168 nan 8.290 nan 0.000 0.422 107 W N 3.676 125.000 121.300 0.040 0.000 1.664 107 W HA 0.336 4.996 4.660 0.001 0.000 0.428 107 W C 1.270 177.821 176.519 0.053 0.000 0.726 107 W CA -0.746 56.642 57.345 0.072 0.000 1.774 107 W CB -0.641 28.890 29.460 0.119 0.000 1.801 107 W HN 0.167 nan 8.180 nan 0.000 0.243 108 V N 0.336 120.357 119.914 0.178 0.000 3.186 108 V HA -0.151 3.970 4.120 0.002 0.000 0.270 108 V C 1.908 178.073 176.094 0.118 0.000 1.149 108 V CA 1.743 64.120 62.300 0.128 0.000 1.160 108 V CB -1.002 30.891 31.823 0.117 0.000 0.758 108 V HN 0.278 nan 8.190 nan 0.000 0.516 109 A N 1.250 124.159 122.820 0.149 0.000 2.067 109 A HA -0.107 4.214 4.320 0.002 0.000 0.219 109 A C 1.807 179.407 177.584 0.027 0.000 1.158 109 A CA 1.913 54.002 52.037 0.088 0.000 0.661 109 A CB -0.805 18.255 19.000 0.099 0.000 0.801 109 A HN 0.708 nan 8.150 nan 0.000 0.452 110 N N -0.658 118.075 118.700 0.055 0.000 2.230 110 N HA 0.345 5.086 4.740 0.002 0.000 0.202 110 N C 1.377 176.904 175.510 0.028 0.000 1.119 110 N CA 0.500 53.552 53.050 0.004 0.000 0.851 110 N CB 0.249 38.762 38.487 0.043 0.000 0.990 110 N HN 0.398 nan 8.380 nan 0.000 0.497 111 A N 0.428 123.272 122.820 0.040 0.000 1.873 111 A HA 0.439 4.760 4.320 0.002 0.000 0.215 111 A C 1.059 178.648 177.584 0.009 0.000 1.186 111 A CA 1.511 53.569 52.037 0.035 0.000 0.616 111 A CB -0.054 18.973 19.000 0.046 0.000 0.823 111 A HN 0.325 nan 8.150 nan 0.000 0.442 112 A N -3.318 119.490 122.820 -0.020 0.000 2.536 112 A HA 0.608 4.929 4.320 0.002 0.000 0.293 112 A C -0.698 176.839 177.584 -0.078 0.000 1.119 112 A CA -0.033 51.979 52.037 -0.041 0.000 0.654 112 A CB 0.120 19.080 19.000 -0.066 0.000 1.291 112 A HN 0.165 nan 8.150 nan 0.000 0.439 113 T N 1.643 116.138 114.554 -0.098 0.000 2.807 113 T HA 0.585 4.936 4.350 0.002 0.000 0.279 113 T C -0.427 174.154 174.700 -0.198 0.000 0.993 113 T CA -0.240 61.735 62.100 -0.207 0.000 0.970 113 T CB 0.652 69.400 68.868 -0.200 0.000 0.950 113 T HN 0.436 nan 8.240 nan 0.000 0.441 114 I N 2.407 122.829 120.570 -0.246 0.000 2.437 114 I HA 0.672 4.843 4.170 0.002 0.000 0.298 114 I C 0.201 176.273 176.117 -0.075 0.000 0.984 114 I CA -1.170 60.041 61.300 -0.148 0.000 1.214 114 I CB 1.257 39.182 38.000 -0.126 0.000 1.365 114 I HN 0.715 nan 8.210 nan 0.000 0.469 115 A N 7.777 130.608 122.820 0.017 0.000 2.466 115 A HA 0.717 5.038 4.320 0.002 0.000 0.291 115 A C -2.660 174.989 177.584 0.108 0.000 1.234 115 A CA -1.394 50.697 52.037 0.091 0.000 0.752 115 A CB 0.712 19.786 19.000 0.124 0.000 1.153 115 A HN 0.397 nan 8.150 nan 0.000 0.458 116 P HA 0.034 nan 4.420 nan 0.000 0.268 116 P C 1.303 178.667 177.300 0.107 0.000 1.205 116 P CA 0.354 63.515 63.100 0.101 0.000 0.771 116 P CB 0.976 32.743 31.700 0.112 0.000 0.858 117 S N 2.421 118.176 115.700 0.092 0.000 2.440 117 S HA -0.245 4.226 4.470 0.002 0.000 0.240 117 S C 1.720 176.365 174.600 0.074 0.000 1.014 117 S CA 1.289 59.535 58.200 0.078 0.000 0.980 117 S CB -1.186 62.033 63.200 0.032 0.000 0.775 117 S HN 0.481 nan 8.310 nan 0.000 0.499 118 A N 1.115 123.983 122.820 0.079 0.000 2.209 118 A HA 0.079 4.400 4.320 0.002 0.000 0.212 118 A C 1.391 179.017 177.584 0.070 0.000 1.158 118 A CA 1.066 53.147 52.037 0.074 0.000 0.742 118 A CB -0.169 18.884 19.000 0.089 0.000 0.790 118 A HN 0.560 nan 8.150 nan 0.000 0.472 119 D N -0.873 119.574 120.400 0.078 0.000 2.469 119 D HA 0.080 4.721 4.640 0.002 0.000 0.213 119 D C 0.612 176.946 176.300 0.056 0.000 1.135 119 D CA 0.850 54.890 54.000 0.068 0.000 0.834 119 D CB 0.172 41.021 40.800 0.081 0.000 1.009 119 D HN 0.479 nan 8.370 nan 0.000 0.507 120 T N -1.701 112.894 114.554 0.067 0.000 2.928 120 T HA 0.421 4.772 4.350 0.002 0.000 0.284 120 T C 1.623 176.345 174.700 0.038 0.000 1.008 120 T CA -0.682 61.446 62.100 0.046 0.000 1.057 120 T CB 1.729 70.674 68.868 0.129 0.000 1.018 120 T HN -0.173 nan 8.240 nan 0.000 0.493 121 L N 0.944 122.170 121.223 0.006 0.000 2.093 121 L HA -0.007 4.334 4.340 0.002 0.000 0.208 121 L C 2.099 178.993 176.870 0.040 0.000 1.085 121 L CA 1.525 56.373 54.840 0.014 0.000 0.755 121 L CB -0.511 41.544 42.059 -0.007 0.000 0.904 121 L HN 0.820 nan 8.230 nan 0.000 0.435 122 D N -1.058 119.390 120.400 0.080 0.000 2.339 122 D HA 0.064 4.705 4.640 0.002 0.000 0.217 122 D C 1.407 177.753 176.300 0.078 0.000 1.050 122 D CA 0.600 54.654 54.000 0.091 0.000 0.856 122 D CB 0.068 40.952 40.800 0.139 0.000 0.922 122 D HN 0.204 nan 8.370 nan 0.000 0.518 123 G N 0.078 108.927 108.800 0.082 0.000 2.153 123 G HA2 -0.327 3.634 3.960 0.002 0.000 0.252 123 G HA3 -0.327 3.634 3.960 0.002 0.000 0.252 123 G C 0.127 175.048 174.900 0.035 0.000 0.994 123 G CA 0.456 45.587 45.100 0.052 0.000 0.698 123 G HN 0.487 nan 8.290 nan 0.000 0.521 124 K N -0.850 119.594 120.400 0.072 0.000 2.211 124 K HA 0.668 4.989 4.320 0.002 0.000 0.237 124 K C 0.144 176.751 176.600 0.011 0.000 1.002 124 K CA -0.985 55.275 56.287 -0.045 0.000 0.885 124 K CB 2.220 34.617 32.500 -0.172 0.000 1.136 124 K HN -0.001 nan 8.250 nan 0.000 0.448 125 V N 2.732 122.599 119.914 -0.078 0.000 2.432 125 V HA 0.108 4.229 4.120 0.002 0.000 0.271 125 V C -0.099 175.954 176.094 -0.068 0.000 1.046 125 V CA -0.329 61.992 62.300 0.035 0.000 0.945 125 V CB 0.257 32.183 31.823 0.171 0.000 0.992 125 V HN 0.582 nan 8.190 nan 0.000 0.471 126 H N 5.330 124.413 119.070 0.023 0.000 2.457 126 H HA 0.617 5.173 4.556 0.001 0.000 0.335 126 H C -1.125 174.178 175.328 -0.041 0.000 1.115 126 H CA -0.638 55.428 56.048 0.029 0.000 1.219 126 H CB 2.209 32.063 29.762 0.153 0.000 1.471 126 H HN 0.370 nan 8.280 nan 0.000 0.491 127 L N 2.555 123.783 121.223 0.008 0.000 2.441 127 L HA 0.225 4.566 4.340 0.002 0.000 0.270 127 L C 0.110 177.001 176.870 0.034 0.000 0.973 127 L CA -0.312 54.482 54.840 -0.077 0.000 0.842 127 L CB 1.961 43.849 42.059 -0.284 0.000 1.239 127 L HN 0.514 nan 8.230 nan 0.000 0.406 128 T N 2.357 116.959 114.554 0.079 0.000 2.756 128 T HA 0.494 4.845 4.350 0.002 0.000 0.290 128 T C 0.171 174.898 174.700 0.046 0.000 0.985 128 T CA -0.457 61.715 62.100 0.121 0.000 0.955 128 T CB 1.293 70.236 68.868 0.125 0.000 0.930 128 T HN 0.193 nan 8.240 nan 0.000 0.451 129 V N 3.189 123.130 119.914 0.044 0.000 2.673 129 V HA 0.357 4.478 4.120 0.002 0.000 0.303 129 V C 0.874 176.990 176.094 0.038 0.000 1.046 129 V CA -0.628 61.689 62.300 0.028 0.000 1.126 129 V CB 0.328 32.169 31.823 0.029 0.000 0.934 129 V HN 1.031 nan 8.190 nan 0.000 0.487 130 A N 3.849 126.688 122.820 0.032 0.000 2.331 130 A HA 0.430 4.751 4.320 0.002 0.000 0.283 130 A C 1.110 178.722 177.584 0.046 0.000 1.142 130 A CA -0.362 51.699 52.037 0.041 0.000 0.812 130 A CB 0.150 19.169 19.000 0.033 0.000 1.074 130 A HN 1.002 nan 8.150 nan 0.000 0.497 131 N N 2.404 121.137 118.700 0.055 0.000 2.331 131 N HA -0.111 4.630 4.740 0.002 0.000 0.180 131 N C 0.494 176.038 175.510 0.057 0.000 1.019 131 N CA 0.997 54.081 53.050 0.057 0.000 0.881 131 N CB -0.803 37.722 38.487 0.063 0.000 0.972 131 N HN 0.736 nan 8.380 nan 0.000 0.435 132 L N 0.046 121.308 121.223 0.065 0.000 3.742 132 L HA -0.266 4.075 4.340 0.002 0.000 0.431 132 L C 1.211 178.126 176.870 0.075 0.000 1.220 132 L CA 0.464 55.345 54.840 0.068 0.000 0.863 132 L CB -1.947 40.132 42.059 0.032 0.000 1.751 132 L HN 0.458 nan 8.230 nan 0.000 0.922 133 N N 0.949 119.706 118.700 0.095 0.000 2.289 133 N HA -0.189 4.552 4.740 0.002 0.000 0.184 133 N C 1.448 177.042 175.510 0.139 0.000 1.016 133 N CA 1.475 54.595 53.050 0.116 0.000 0.872 133 N CB 0.059 38.611 38.487 0.108 0.000 0.973 133 N HN 0.644 nan 8.380 nan 0.000 0.433 134 N N 0.663 119.443 118.700 0.133 0.000 2.104 134 N HA -0.121 4.620 4.740 0.002 0.000 0.190 134 N C -0.292 175.318 175.510 0.167 0.000 1.024 134 N CA 1.071 54.209 53.050 0.146 0.000 0.853 134 N CB 0.087 38.659 38.487 0.142 0.000 1.008 134 N HN 0.052 nan 8.380 nan 0.000 0.424 135 K N 0.480 120.965 120.400 0.142 0.000 2.263 135 K HA 0.125 4.446 4.320 0.002 0.000 0.272 135 K C 0.358 177.078 176.600 0.199 0.000 1.033 135 K CA -0.453 55.940 56.287 0.177 0.000 0.884 135 K CB 0.507 33.036 32.500 0.050 0.000 1.107 135 K HN 0.018 nan 8.250 nan 0.000 0.460 136 F N 4.074 124.150 119.950 0.210 0.000 2.091 136 F HA -0.338 4.190 4.527 0.002 0.000 0.299 136 F C 2.268 178.194 175.800 0.210 0.000 1.103 136 F CA 1.897 60.031 58.000 0.224 0.000 1.228 136 F CB 0.121 39.315 39.000 0.324 0.000 0.984 136 F HN 0.853 nan 8.300 nan 0.000 0.477 137 H N -0.124 118.878 119.070 -0.115 0.000 2.422 137 H HA -0.096 4.461 4.556 0.002 0.000 0.298 137 H C 1.935 177.163 175.328 -0.167 0.000 1.098 137 H CA 1.410 57.320 56.048 -0.231 0.000 1.315 137 H CB -0.668 29.073 29.762 -0.036 0.000 1.382 137 H HN 0.266 nan 8.280 nan 0.000 0.523 138 R N 0.941 121.078 120.500 -0.606 0.000 2.100 138 R HA -0.035 4.306 4.340 0.002 0.000 0.220 138 R C 2.686 178.876 176.300 -0.183 0.000 1.091 138 R CA 1.093 56.953 56.100 -0.401 0.000 0.986 138 R CB -0.412 29.669 30.300 -0.365 0.000 0.888 138 R HN 0.571 nan 8.270 nan 0.000 0.444 139 S N 0.848 116.476 115.700 -0.121 0.000 2.465 139 S HA -0.070 4.401 4.470 0.002 0.000 0.241 139 S C 1.966 176.531 174.600 -0.059 0.000 1.000 139 S CA 0.811 58.994 58.200 -0.028 0.000 0.964 139 S CB -0.432 62.820 63.200 0.088 0.000 0.763 139 S HN 0.256 nan 8.310 nan 0.000 0.512 140 L N 0.420 121.544 121.223 -0.165 0.000 2.395 140 L HA 0.134 4.475 4.340 0.002 0.000 0.218 140 L C 2.613 179.391 176.870 -0.153 0.000 1.130 140 L CA 0.769 55.505 54.840 -0.174 0.000 0.826 140 L CB -0.542 41.349 42.059 -0.279 0.000 0.941 140 L HN 0.323 nan 8.230 nan 0.000 0.451 141 E N 0.945 121.085 120.200 -0.099 0.000 2.072 141 E HA -0.186 4.165 4.350 0.002 0.000 0.191 141 E C 2.411 179.049 176.600 0.063 0.000 0.985 141 E CA 1.043 57.445 56.400 0.004 0.000 0.801 141 E CB -0.167 29.501 29.700 -0.052 0.000 0.750 141 E HN 0.468 nan 8.360 nan 0.000 0.452 142 A N 1.886 124.721 122.820 0.026 0.000 1.893 142 A HA -0.251 4.070 4.320 0.002 0.000 0.222 142 A C -0.259 177.339 177.584 0.022 0.000 1.309 142 A CA 2.360 54.417 52.037 0.033 0.000 0.681 142 A CB -1.913 17.105 19.000 0.032 0.000 0.842 142 A HN 0.176 nan 8.150 nan 0.000 0.468 143 P HA -0.123 nan 4.420 nan 0.000 0.214 143 P C 1.667 178.945 177.300 -0.038 0.000 1.163 143 P CA 1.693 64.793 63.100 -0.000 0.000 0.889 143 P CB -0.154 31.558 31.700 0.020 0.000 0.790 144 V N -0.868 118.998 119.914 -0.080 0.000 2.427 144 V HA -0.206 3.915 4.120 0.002 0.000 0.248 144 V C 2.302 178.267 176.094 -0.216 0.000 1.051 144 V CA 2.369 64.547 62.300 -0.203 0.000 1.048 144 V CB -1.696 29.897 31.823 -0.383 0.000 0.666 144 V HN 0.200 nan 8.190 nan 0.000 0.456 145 T N -0.594 113.935 114.554 -0.043 0.000 2.759 145 T HA -0.251 4.100 4.350 0.002 0.000 0.269 145 T C 1.862 176.551 174.700 -0.019 0.000 1.042 145 T CA 1.882 64.007 62.100 0.041 0.000 1.140 145 T CB -0.163 68.782 68.868 0.128 0.000 0.864 145 T HN 0.616 nan 8.240 nan 0.000 0.455 146 E N 0.577 120.762 120.200 -0.026 0.000 2.051 146 E HA -0.126 4.226 4.350 0.002 0.000 0.192 146 E C 2.371 178.934 176.600 -0.060 0.000 0.991 146 E CA 1.268 57.650 56.400 -0.031 0.000 0.799 146 E CB -0.034 29.655 29.700 -0.017 0.000 0.748 146 E HN 0.362 nan 8.360 nan 0.000 0.449 147 S N 0.706 116.350 115.700 -0.094 0.000 2.370 147 S HA -0.152 4.319 4.470 0.002 0.000 0.226 147 S C 1.970 176.474 174.600 -0.160 0.000 1.033 147 S CA 0.999 59.120 58.200 -0.131 0.000 1.011 147 S CB -0.224 62.871 63.200 -0.176 0.000 0.852 147 S HN 0.261 nan 8.310 nan 0.000 0.457 148 L N 0.872 121.989 121.223 -0.177 0.000 2.056 148 L HA -0.029 4.312 4.340 0.002 0.000 0.207 148 L C 2.245 179.063 176.870 -0.087 0.000 1.078 148 L CA 0.965 55.705 54.840 -0.166 0.000 0.749 148 L CB -0.565 41.406 42.059 -0.146 0.000 0.901 148 L HN 0.272 nan 8.230 nan 0.000 0.433 149 L N -0.288 120.919 121.223 -0.027 0.000 2.141 149 L HA -0.190 4.151 4.340 0.002 0.000 0.209 149 L C 2.476 179.387 176.870 0.068 0.000 1.094 149 L CA 1.272 56.156 54.840 0.074 0.000 0.763 149 L CB -0.377 41.706 42.059 0.039 0.000 0.908 149 L HN 0.250 nan 8.230 nan 0.000 0.437 150 K N -0.201 120.189 120.400 -0.017 0.000 2.296 150 K HA 0.007 4.328 4.320 0.002 0.000 0.200 150 K C 2.032 178.599 176.600 -0.055 0.000 1.048 150 K CA 0.892 57.164 56.287 -0.024 0.000 0.966 150 K CB 0.038 32.513 32.500 -0.041 0.000 0.754 150 K HN 0.233 nan 8.250 nan 0.000 0.466 151 A N 0.642 123.404 122.820 -0.097 0.000 2.072 151 A HA 0.054 4.375 4.320 0.002 0.000 0.216 151 A C 1.846 179.331 177.584 -0.165 0.000 1.156 151 A CA 0.704 52.666 52.037 -0.125 0.000 0.701 151 A CB -0.110 18.797 19.000 -0.155 0.000 0.816 151 A HN 0.111 nan 8.150 nan 0.000 0.458 152 I N -2.356 118.073 120.570 -0.234 0.000 2.729 152 I HA 0.073 4.244 4.170 0.002 0.000 0.256 152 I C -0.053 175.672 176.117 -0.652 0.000 1.115 152 I CA 0.488 61.515 61.300 -0.455 0.000 1.446 152 I CB 0.175 37.799 38.000 -0.626 0.000 1.176 152 I HN 0.208 nan 8.210 nan 0.000 0.446 153 F N 1.325 121.071 119.950 -0.341 0.000 2.441 153 F HA 0.233 4.760 4.527 0.001 0.000 0.337 153 F C 1.094 176.782 175.800 -0.186 0.000 1.182 153 F CA -0.369 57.257 58.000 -0.623 0.000 1.279 153 F CB -0.418 37.986 39.000 -0.993 0.000 1.614 153 F HN -0.065 nan 8.300 nan 0.000 0.574 154 N N 0.582 119.307 118.700 0.043 0.000 2.416 154 N HA -0.136 4.605 4.740 0.002 0.000 0.177 154 N C 0.420 176.035 175.510 0.175 0.000 1.036 154 N CA 0.477 53.579 53.050 0.086 0.000 0.901 154 N CB 0.057 38.551 38.487 0.012 0.000 0.976 154 N HN 0.230 nan 8.380 nan 0.000 0.444 155 D N 1.095 121.695 120.400 0.333 0.000 2.398 155 D HA -0.022 4.619 4.640 0.002 0.000 0.250 155 D C 0.266 176.648 176.300 0.135 0.000 1.287 155 D CA 0.175 54.298 54.000 0.204 0.000 0.992 155 D CB 0.204 41.093 40.800 0.148 0.000 1.071 155 D HN 0.297 nan 8.370 nan 0.000 0.514 156 E N 1.764 122.004 120.200 0.066 0.000 2.331 156 E HA -0.213 4.138 4.350 0.002 0.000 0.199 156 E C 1.151 177.716 176.600 -0.057 0.000 1.008 156 E CA 0.939 57.346 56.400 0.011 0.000 0.843 156 E CB 0.248 29.948 29.700 -0.001 0.000 0.761 156 E HN 0.671 nan 8.360 nan 0.000 0.507 157 E N 0.279 120.428 120.200 -0.083 0.000 2.435 157 E HA -0.031 4.320 4.350 0.002 0.000 0.195 157 E C 1.343 177.818 176.600 -0.208 0.000 1.029 157 E CA 0.476 56.807 56.400 -0.116 0.000 0.865 157 E CB 0.228 29.874 29.700 -0.090 0.000 0.833 157 E HN 0.075 nan 8.360 nan 0.000 0.510 158 K N 0.155 120.340 120.400 -0.359 0.000 2.436 158 K HA 0.213 4.534 4.320 0.002 0.000 0.198 158 K C -0.057 176.058 176.600 -0.809 0.000 1.174 158 K CA 0.260 56.145 56.287 -0.670 0.000 0.951 158 K CB 0.782 32.638 32.500 -1.073 0.000 1.040 158 K HN 0.041 nan 8.250 nan 0.000 0.536 159 F N 0.881 120.772 119.950 -0.098 0.000 2.551 159 F HA 0.354 4.882 4.527 0.002 0.000 0.316 159 F C -0.074 175.577 175.800 -0.248 0.000 1.089 159 F CA -1.068 56.833 58.000 -0.166 0.000 0.915 159 F CB 2.189 41.149 39.000 -0.067 0.000 1.186 159 F HN -0.351 nan 8.300 nan 0.000 0.456 160 S N 2.026 117.591 115.700 -0.226 0.000 2.733 160 S HA 0.480 4.951 4.470 0.002 0.000 0.307 160 S C -0.754 173.548 174.600 -0.496 0.000 1.127 160 S CA -0.646 57.309 58.200 -0.407 0.000 1.097 160 S CB 1.331 64.141 63.200 -0.650 0.000 1.003 160 S HN 0.330 nan 8.310 nan 0.000 0.477 161 V N 5.763 125.456 119.914 -0.368 0.000 2.383 161 V HA 0.329 4.450 4.120 0.002 0.000 0.275 161 V C -0.069 175.816 176.094 -0.347 0.000 1.036 161 V CA -0.500 61.620 62.300 -0.301 0.000 0.889 161 V CB 0.445 32.182 31.823 -0.142 0.000 0.985 161 V HN 0.766 nan 8.190 nan 0.000 0.459 162 H N 2.140 121.219 119.070 0.015 0.000 2.479 162 H HA 0.458 5.015 4.556 0.001 0.000 0.335 162 H C 0.142 175.479 175.328 0.015 0.000 1.142 162 H CA -0.546 55.519 56.048 0.028 0.000 1.234 162 H CB 1.823 31.615 29.762 0.051 0.000 1.503 162 H HN 0.551 nan 8.280 nan 0.000 0.510 163 S N 0.642 116.425 115.700 0.138 0.000 2.593 163 S HA 0.329 4.800 4.470 0.002 0.000 0.269 163 S C 0.567 175.215 174.600 0.080 0.000 1.334 163 S CA -0.652 57.596 58.200 0.080 0.000 1.015 163 S CB 0.813 64.050 63.200 0.062 0.000 0.912 163 S HN 0.764 nan 8.310 nan 0.000 0.541 164 A N 1.810 124.665 122.820 0.058 0.000 2.466 164 A HA 0.369 4.690 4.320 0.002 0.000 0.238 164 A C 0.343 177.957 177.584 0.049 0.000 1.074 164 A CA -0.347 51.723 52.037 0.054 0.000 0.774 164 A CB -0.245 18.785 19.000 0.049 0.000 1.015 164 A HN 0.768 nan 8.150 nan 0.000 0.498 165 L N 1.333 122.584 121.223 0.046 0.000 2.479 165 L HA 0.153 4.494 4.340 0.002 0.000 0.270 165 L C -1.820 175.074 176.870 0.040 0.000 1.236 165 L CA -1.385 53.476 54.840 0.036 0.000 0.823 165 L CB -0.269 41.810 42.059 0.034 0.000 1.098 165 L HN 0.463 nan 8.230 nan 0.000 0.500 166 P HA -0.056 nan 4.420 nan 0.000 0.266 166 P C -0.962 176.367 177.300 0.048 0.000 1.193 166 P CA 0.012 63.135 63.100 0.038 0.000 0.770 166 P CB 0.284 32.001 31.700 0.028 0.000 0.836 167 Q N 1.956 121.790 119.800 0.057 0.000 2.837 167 Q HA 0.231 4.572 4.340 0.002 0.000 0.235 167 Q C -0.245 175.798 176.000 0.072 0.000 1.348 167 Q CA 0.106 55.952 55.803 0.072 0.000 0.990 167 Q CB -0.256 28.534 28.738 0.086 0.000 1.570 167 Q HN 0.276 nan 8.270 nan 0.000 0.575 168 V N -3.000 116.954 119.914 0.065 0.000 3.012 168 V HA 0.669 4.790 4.120 0.002 0.000 0.307 168 V C 0.884 177.017 176.094 0.066 0.000 1.166 168 V CA -0.539 61.799 62.300 0.062 0.000 0.974 168 V CB 1.464 33.315 31.823 0.046 0.000 1.040 168 V HN 0.332 nan 8.190 nan 0.000 0.428 169 A N 2.076 124.938 122.820 0.070 0.000 1.948 169 A HA -0.163 4.158 4.320 0.002 0.000 0.220 169 A C 1.777 179.399 177.584 0.063 0.000 1.177 169 A CA 2.463 54.546 52.037 0.075 0.000 0.636 169 A CB -0.707 18.338 19.000 0.074 0.000 0.815 169 A HN 1.421 nan 8.150 nan 0.000 0.449 170 L N -0.992 120.259 121.223 0.046 0.000 2.187 170 L HA -0.012 4.329 4.340 0.002 0.000 0.213 170 L C 1.140 178.024 176.870 0.024 0.000 1.100 170 L CA 1.637 56.495 54.840 0.029 0.000 0.765 170 L CB -0.185 41.884 42.059 0.017 0.000 0.904 170 L HN 0.388 nan 8.230 nan 0.000 0.437 171 L N -0.130 121.114 121.223 0.036 0.000 3.209 171 L HA 0.388 4.729 4.340 0.002 0.000 0.279 171 L C 0.743 177.649 176.870 0.060 0.000 1.301 171 L CA -0.406 54.455 54.840 0.035 0.000 1.004 171 L CB -0.100 41.974 42.059 0.025 0.000 1.402 171 L HN 0.146 nan 8.230 nan 0.000 0.577 172 G N 0.215 109.062 108.800 0.078 0.000 2.254 172 G HA2 0.164 4.125 3.960 0.002 0.000 0.253 172 G HA3 0.164 4.125 3.960 0.002 0.000 0.253 172 G C -0.850 174.117 174.900 0.112 0.000 1.246 172 G CA 0.222 45.383 45.100 0.101 0.000 0.946 172 G HN 0.268 nan 8.290 nan 0.000 0.474 173 D N 1.143 121.608 120.400 0.108 0.000 2.757 173 D HA 0.294 4.935 4.640 0.002 0.000 0.249 173 D C 0.460 176.820 176.300 0.100 0.000 1.168 173 D CA -0.641 53.426 54.000 0.111 0.000 0.870 173 D CB 1.420 42.276 40.800 0.094 0.000 1.411 173 D HN 0.242 nan 8.370 nan 0.000 0.525 174 E N 2.414 122.671 120.200 0.094 0.000 2.558 174 E HA 0.312 4.663 4.350 0.002 0.000 0.205 174 E C 1.102 177.673 176.600 -0.049 0.000 1.006 174 E CA 0.002 56.420 56.400 0.029 0.000 0.961 174 E CB 0.563 30.281 29.700 0.030 0.000 1.044 174 E HN 0.789 nan 8.360 nan 0.000 0.465 175 G N 1.828 110.631 108.800 0.004 0.000 2.569 175 G HA2 -0.408 3.553 3.960 0.002 0.000 0.259 175 G HA3 -0.408 3.553 3.960 0.002 0.000 0.259 175 G C 1.100 175.971 174.900 -0.047 0.000 1.263 175 G CA 0.537 45.624 45.100 -0.022 0.000 0.928 175 G HN 0.350 nan 8.290 nan 0.000 0.572 176 A N -0.730 122.051 122.820 -0.065 0.000 1.997 176 A HA 0.144 4.465 4.320 0.002 0.000 0.221 176 A C 3.020 180.595 177.584 -0.014 0.000 1.172 176 A CA 3.668 55.681 52.037 -0.039 0.000 0.645 176 A CB -1.055 17.929 19.000 -0.027 0.000 0.813 176 A HN 2.455 nan 8.150 nan 0.000 0.454 177 A N -0.498 122.275 122.820 -0.078 0.000 2.131 177 A HA -0.184 4.137 4.320 0.002 0.000 0.220 177 A C 1.557 179.106 177.584 -0.059 0.000 1.158 177 A CA 1.672 53.641 52.037 -0.114 0.000 0.665 177 A CB -0.626 18.166 19.000 -0.348 0.000 0.795 177 A HN 0.739 nan 8.150 nan 0.000 0.460 178 N N -1.862 116.829 118.700 -0.015 0.000 2.204 178 N HA 0.102 4.843 4.740 0.002 0.000 0.219 178 N C 0.004 175.555 175.510 0.069 0.000 1.151 178 N CA -0.146 52.940 53.050 0.060 0.000 0.867 178 N CB 0.309 38.871 38.487 0.124 0.000 1.043 178 N HN 0.585 nan 8.380 nan 0.000 0.516 179 H N 0.626 119.618 119.070 -0.131 0.000 2.567 179 H HA 0.437 4.994 4.556 0.001 0.000 0.345 179 H C -0.903 174.315 175.328 -0.183 0.000 1.169 179 H CA -0.369 55.511 56.048 -0.281 0.000 1.227 179 H CB 1.081 30.621 29.762 -0.371 0.000 1.607 179 H HN 0.083 nan 8.280 nan 0.000 0.534 180 N N 2.004 120.292 118.700 -0.687 0.000 2.484 180 N HA 0.199 4.940 4.740 0.002 0.000 0.269 180 N C -1.376 173.834 175.510 -0.500 0.000 1.237 180 N CA -0.701 52.115 53.050 -0.391 0.000 0.838 180 N CB 3.065 41.424 38.487 -0.213 0.000 1.593 180 N HN 0.516 nan 8.380 nan 0.000 0.485 181 R N 1.688 122.060 120.500 -0.213 0.000 2.518 181 R HA 0.483 4.824 4.340 0.002 0.000 0.296 181 R C -1.674 174.617 176.300 -0.015 0.000 1.080 181 R CA -0.378 55.647 56.100 -0.125 0.000 0.922 181 R CB 0.864 31.147 30.300 -0.029 0.000 1.184 181 R HN 0.499 nan 8.270 nan 0.000 0.445 182 L N 3.674 124.877 121.223 -0.033 0.000 2.346 182 L HA 0.895 5.236 4.340 0.002 0.000 0.276 182 L C 0.448 177.325 176.870 0.013 0.000 1.006 182 L CA -0.503 54.347 54.840 0.017 0.000 0.817 182 L CB 2.271 44.332 42.059 0.003 0.000 1.272 182 L HN 0.908 nan 8.230 nan 0.000 0.421 183 G N 0.726 109.544 108.800 0.030 0.000 2.325 183 G HA2 0.416 4.377 3.960 0.002 0.000 0.295 183 G HA3 0.416 4.377 3.960 0.002 0.000 0.295 183 G C -0.315 174.574 174.900 -0.018 0.000 1.274 183 G CA -0.077 45.033 45.100 0.017 0.000 0.857 183 G HN 0.771 nan 8.290 nan 0.000 0.499 184 G N -1.055 107.733 108.800 -0.019 0.000 3.078 184 G HA2 0.413 4.374 3.960 0.002 0.000 0.163 184 G HA3 0.413 4.374 3.960 0.002 0.000 0.163 184 G C -0.007 174.774 174.900 -0.199 0.000 1.894 184 G CA 0.052 45.097 45.100 -0.092 0.000 0.951 184 G HN 0.752 nan 8.290 nan 0.000 0.446 185 H N -0.789 118.248 119.070 -0.055 0.000 2.683 185 H HA 0.267 4.828 4.556 0.007 0.000 0.339 185 H C 0.965 176.298 175.328 0.009 0.000 1.081 185 H CA -0.008 55.989 56.048 -0.084 0.000 1.432 185 H CB 0.778 30.541 29.762 0.002 0.000 1.462 185 H HN 0.446 nan 8.280 nan 0.000 0.557 186 Y N 1.628 122.049 120.300 0.201 0.000 2.096 186 Y HA -0.342 4.208 4.550 0.001 0.000 0.276 186 Y C 2.630 178.627 175.900 0.162 0.000 1.209 186 Y CA 0.911 59.113 58.100 0.170 0.000 1.137 186 Y CB -0.319 38.262 38.460 0.202 0.000 0.956 186 Y HN 0.864 nan 8.280 nan 0.000 0.506 187 G N -0.439 108.568 108.800 0.344 0.000 2.509 187 G HA2 -0.105 3.856 3.960 0.002 0.000 0.218 187 G HA3 -0.105 3.856 3.960 0.002 0.000 0.218 187 G C 0.349 175.344 174.900 0.159 0.000 1.124 187 G CA 0.236 45.469 45.100 0.222 0.000 0.776 187 G HN 0.352 nan 8.290 nan 0.000 0.547 188 E N 0.472 120.769 120.200 0.161 0.000 2.345 188 E HA 0.251 4.602 4.350 0.002 0.000 0.259 188 E C -2.399 174.262 176.600 0.102 0.000 1.117 188 E CA -2.040 54.429 56.400 0.115 0.000 0.913 188 E CB 0.732 30.500 29.700 0.114 0.000 1.057 188 E HN -0.023 nan 8.360 nan 0.000 0.432 189 P HA 0.013 nan 4.420 nan 0.000 0.264 189 P C -0.579 176.757 177.300 0.059 0.000 1.193 189 P CA 0.269 63.407 63.100 0.064 0.000 0.763 189 P CB 0.630 32.357 31.700 0.046 0.000 0.810 190 G N 2.029 110.864 108.800 0.060 0.000 2.644 190 G HA2 0.610 4.571 3.960 0.002 0.000 0.307 190 G HA3 0.610 4.571 3.960 0.002 0.000 0.307 190 G C -1.291 173.615 174.900 0.011 0.000 1.250 190 G CA -0.618 44.508 45.100 0.043 0.000 0.996 190 G HN 0.410 nan 8.290 nan 0.000 0.489 191 M N 0.891 120.477 119.600 -0.024 0.000 2.088 191 M HA 0.367 4.848 4.480 0.002 0.000 0.346 191 M C -0.161 176.076 176.300 -0.105 0.000 1.111 191 M CA -0.426 54.835 55.300 -0.064 0.000 1.017 191 M CB 0.955 33.494 32.600 -0.102 0.000 1.568 191 M HN 0.444 nan 8.290 nan 0.000 0.445 192 Q N 3.712 123.457 119.800 -0.092 0.000 2.274 192 Q HA 0.468 4.809 4.340 0.002 0.000 0.256 192 Q C -1.333 174.535 176.000 -0.219 0.000 0.927 192 Q CA -0.657 55.027 55.803 -0.199 0.000 0.939 192 Q CB 1.679 30.423 28.738 0.010 0.000 1.201 192 Q HN 0.677 nan 8.270 nan 0.000 0.426 193 L N 3.970 124.958 121.223 -0.391 0.000 2.295 193 L HA 0.435 4.776 4.340 0.002 0.000 0.281 193 L C -1.632 175.087 176.870 -0.252 0.000 1.018 193 L CA -0.220 54.462 54.840 -0.264 0.000 0.841 193 L CB 0.343 42.242 42.059 -0.267 0.000 1.218 193 L HN 0.402 nan 8.230 nan 0.000 0.424 194 F N 4.916 124.763 119.950 -0.172 0.000 2.411 194 F HA 0.474 5.002 4.527 0.002 0.000 0.355 194 F C 0.256 176.153 175.800 0.162 0.000 1.117 194 F CA -0.423 57.614 58.000 0.061 0.000 1.139 194 F CB 1.328 40.401 39.000 0.123 0.000 1.120 194 F HN 0.129 nan 8.300 nan 0.000 0.493 195 V N 5.188 125.277 119.914 0.292 0.000 2.427 195 V HA 0.423 4.544 4.120 0.002 0.000 0.286 195 V C -0.588 175.692 176.094 0.309 0.000 1.034 195 V CA -0.927 61.508 62.300 0.225 0.000 0.893 195 V CB 0.886 32.816 31.823 0.178 0.000 0.982 195 V HN 0.620 nan 8.190 nan 0.000 0.452 196 Y N 1.289 121.716 120.300 0.213 0.000 2.576 196 Y HA 0.845 5.396 4.550 0.001 0.000 0.346 196 Y C 0.904 176.889 175.900 0.142 0.000 1.018 196 Y CA -0.652 57.556 58.100 0.180 0.000 1.050 196 Y CB 1.761 40.324 38.460 0.173 0.000 1.280 196 Y HN 0.509 nan 8.280 nan 0.000 0.474 197 G N 0.850 109.813 108.800 0.272 0.000 2.545 197 G HA2 0.252 4.213 3.960 0.002 0.000 0.212 197 G HA3 0.252 4.213 3.960 0.002 0.000 0.212 197 G C 0.032 175.061 174.900 0.216 0.000 1.144 197 G CA 0.075 45.274 45.100 0.164 0.000 0.813 197 G HN 0.804 nan 8.290 nan 0.000 0.531 198 R N -0.406 120.297 120.500 0.339 0.000 2.752 198 R HA 0.664 5.005 4.340 0.002 0.000 0.271 198 R C -1.664 174.777 176.300 0.234 0.000 1.026 198 R CA -0.972 55.291 56.100 0.271 0.000 0.901 198 R CB 1.019 31.413 30.300 0.158 0.000 1.243 198 R HN 0.235 nan 8.270 nan 0.000 0.463 199 E N 0.257 120.537 120.200 0.133 0.000 2.372 199 E HA 0.222 4.573 4.350 0.002 0.000 0.279 199 E C -1.419 175.187 176.600 0.010 0.000 0.946 199 E CA -1.115 55.287 56.400 0.004 0.000 0.769 199 E CB 2.083 31.729 29.700 -0.090 0.000 1.230 199 E HN 0.658 nan 8.360 nan 0.000 0.442 200 E N 0.701 120.888 120.200 -0.023 0.000 2.414 200 E HA 0.242 4.593 4.350 0.002 0.000 0.263 200 E C 0.764 177.357 176.600 -0.011 0.000 1.000 200 E CA 1.402 57.795 56.400 -0.012 0.000 0.914 200 E CB 0.260 29.945 29.700 -0.025 0.000 0.948 200 E HN 0.872 nan 8.360 nan 0.000 0.444 201 G N 3.641 112.442 108.800 0.002 0.000 2.179 201 G HA2 -0.286 3.675 3.960 0.002 0.000 0.260 201 G HA3 -0.286 3.675 3.960 0.002 0.000 0.260 201 G C 0.059 174.968 174.900 0.014 0.000 0.977 201 G CA 0.290 45.392 45.100 0.003 0.000 0.641 201 G HN 0.600 nan 8.290 nan 0.000 0.533 202 N N 0.582 119.298 118.700 0.027 0.000 2.417 202 N HA 0.414 5.155 4.740 0.002 0.000 0.274 202 N C 0.283 175.821 175.510 0.046 0.000 0.987 202 N CA -0.516 52.560 53.050 0.044 0.000 0.912 202 N CB 1.379 39.910 38.487 0.074 0.000 1.177 202 N HN -0.025 nan 8.380 nan 0.000 0.490 203 D N 1.138 121.562 120.400 0.038 0.000 2.317 203 D HA -0.018 4.623 4.640 0.002 0.000 0.211 203 D C -0.160 176.163 176.300 0.039 0.000 0.966 203 D CA 0.957 54.978 54.000 0.035 0.000 0.876 203 D CB 0.252 41.068 40.800 0.026 0.000 0.927 203 D HN 0.461 nan 8.370 nan 0.000 0.519 204 T N 2.788 117.370 114.554 0.047 0.000 2.743 204 T HA 0.317 4.668 4.350 0.002 0.000 0.290 204 T C 0.377 175.112 174.700 0.057 0.000 0.908 204 T CA -0.174 61.954 62.100 0.046 0.000 1.092 204 T CB 0.219 69.115 68.868 0.048 0.000 0.882 204 T HN 0.229 nan 8.240 nan 0.000 0.531 205 R N 2.277 122.805 120.500 0.047 0.000 2.739 205 R HA 0.426 4.767 4.340 0.002 0.000 0.266 205 R C -3.404 172.922 176.300 0.044 0.000 1.044 205 R CA -1.937 54.197 56.100 0.057 0.000 0.885 205 R CB 0.235 30.579 30.300 0.073 0.000 1.260 205 R HN 0.208 nan 8.270 nan 0.000 0.477 206 P HA -0.040 nan 4.420 nan 0.000 0.267 206 P C 0.058 177.383 177.300 0.043 0.000 1.201 206 P CA -0.064 63.059 63.100 0.038 0.000 0.775 206 P CB 0.970 32.706 31.700 0.061 0.000 0.854 207 S N 0.430 116.141 115.700 0.017 0.000 2.666 207 S HA 0.151 4.622 4.470 0.002 0.000 0.239 207 S C 1.409 176.021 174.600 0.021 0.000 1.031 207 S CA -0.517 57.697 58.200 0.024 0.000 1.015 207 S CB 0.245 63.451 63.200 0.009 0.000 0.981 207 S HN 0.441 nan 8.310 nan 0.000 0.547 208 R N 0.080 120.568 120.500 -0.021 0.000 2.197 208 R HA 0.372 4.713 4.340 0.002 0.000 0.188 208 R C -0.529 175.805 176.300 0.057 0.000 1.015 208 R CA 0.250 56.306 56.100 -0.074 0.000 1.132 208 R CB 0.209 30.305 30.300 -0.340 0.000 1.134 208 R HN 0.469 nan 8.270 nan 0.000 0.560 209 Y N 1.629 121.930 120.300 0.003 0.000 2.457 209 Y HA 0.430 4.981 4.550 0.002 0.000 0.333 209 Y C -1.956 173.965 175.900 0.036 0.000 1.119 209 Y CA -2.970 55.083 58.100 -0.079 0.000 1.143 209 Y CB 1.478 39.816 38.460 -0.203 0.000 1.230 209 Y HN 0.146 nan 8.280 nan 0.000 0.469 210 P HA 0.119 nan 4.420 nan 0.000 0.274 210 P C -1.316 176.078 177.300 0.156 0.000 1.231 210 P CA -0.361 62.855 63.100 0.193 0.000 0.790 210 P CB 0.736 32.553 31.700 0.195 0.000 0.951 211 A N 3.182 126.091 122.820 0.147 0.000 2.444 211 A HA 0.217 4.538 4.320 0.002 0.000 0.332 211 A C 1.214 178.895 177.584 0.161 0.000 1.430 211 A CA -0.509 51.616 52.037 0.147 0.000 0.975 211 A CB -0.233 18.851 19.000 0.140 0.000 1.147 211 A HN 0.448 nan 8.150 nan 0.000 0.524 212 R N 0.717 121.324 120.500 0.178 0.000 2.148 212 R HA -0.088 4.253 4.340 0.002 0.000 0.227 212 R C 0.602 177.016 176.300 0.190 0.000 1.103 212 R CA 0.948 57.161 56.100 0.188 0.000 0.983 212 R CB 0.048 30.485 30.300 0.228 0.000 0.874 212 R HN 0.749 nan 8.270 nan 0.000 0.451 213 Q N 1.401 121.327 119.800 0.211 0.000 2.271 213 Q HA 0.116 4.457 4.340 0.002 0.000 0.258 213 Q C -0.932 175.207 176.000 0.232 0.000 0.936 213 Q CA -0.319 55.615 55.803 0.219 0.000 0.909 213 Q CB 1.627 30.516 28.738 0.251 0.000 1.253 213 Q HN 0.100 nan 8.270 nan 0.000 0.440 214 T N 0.195 114.855 114.554 0.176 0.000 2.888 214 T HA 0.398 4.749 4.350 0.002 0.000 0.284 214 T C 0.690 175.391 174.700 0.001 0.000 1.017 214 T CA -0.865 61.303 62.100 0.113 0.000 1.022 214 T CB 1.554 70.449 68.868 0.046 0.000 1.013 214 T HN 0.801 nan 8.240 nan 0.000 0.465 215 R N 0.575 120.904 120.500 -0.285 0.000 2.096 215 R HA -0.136 4.205 4.340 0.002 0.000 0.235 215 R C 1.612 177.675 176.300 -0.395 0.000 1.127 215 R CA 1.813 57.499 56.100 -0.690 0.000 0.968 215 R CB -0.287 29.250 30.300 -1.271 0.000 0.861 215 R HN 0.786 nan 8.270 nan 0.000 0.440 216 E N 0.487 120.529 120.200 -0.263 0.000 2.085 216 E HA -0.180 4.171 4.350 0.002 0.000 0.194 216 E C 1.847 178.370 176.600 -0.129 0.000 0.994 216 E CA 1.696 57.980 56.400 -0.193 0.000 0.801 216 E CB -0.317 29.311 29.700 -0.120 0.000 0.743 216 E HN 0.482 nan 8.360 nan 0.000 0.453 217 A N 0.437 123.222 122.820 -0.058 0.000 1.858 217 A HA -0.202 4.119 4.320 0.002 0.000 0.216 217 A C 2.384 179.979 177.584 0.019 0.000 1.190 217 A CA 1.903 53.941 52.037 0.002 0.000 0.617 217 A CB -0.855 18.179 19.000 0.056 0.000 0.827 217 A HN 0.213 nan 8.150 nan 0.000 0.443 218 S N -0.290 115.448 115.700 0.064 0.000 2.374 218 S HA -0.221 4.250 4.470 0.002 0.000 0.227 218 S C 1.859 176.434 174.600 -0.040 0.000 1.037 218 S CA 1.750 60.043 58.200 0.155 0.000 1.024 218 S CB -0.356 63.058 63.200 0.356 0.000 0.861 218 S HN 0.688 nan 8.310 nan 0.000 0.456 219 E N 0.773 120.883 120.200 -0.149 0.000 2.106 219 E HA -0.070 4.281 4.350 0.002 0.000 0.192 219 E C 2.346 178.861 176.600 -0.141 0.000 0.984 219 E CA 0.909 57.176 56.400 -0.222 0.000 0.806 219 E CB -0.212 29.221 29.700 -0.445 0.000 0.750 219 E HN 0.523 nan 8.360 nan 0.000 0.458 220 A N 0.720 123.472 122.820 -0.113 0.000 1.930 220 A HA -0.122 4.199 4.320 0.002 0.000 0.217 220 A C 2.443 179.986 177.584 -0.069 0.000 1.175 220 A CA 0.964 52.951 52.037 -0.084 0.000 0.627 220 A CB -0.498 18.467 19.000 -0.060 0.000 0.815 220 A HN 0.108 nan 8.150 nan 0.000 0.443 221 V N -0.053 119.842 119.914 -0.031 0.000 2.343 221 V HA -0.246 3.875 4.120 0.002 0.000 0.247 221 V C 3.060 179.148 176.094 -0.010 0.000 1.051 221 V CA 1.867 64.180 62.300 0.023 0.000 1.036 221 V CB -1.245 30.676 31.823 0.164 0.000 0.654 221 V HN 0.604 nan 8.190 nan 0.000 0.451 222 A N -0.336 122.405 122.820 -0.132 0.000 1.940 222 A HA -0.281 4.040 4.320 0.002 0.000 0.219 222 A C 2.401 179.928 177.584 -0.095 0.000 1.176 222 A CA 2.229 54.169 52.037 -0.163 0.000 0.631 222 A CB -0.531 18.234 19.000 -0.391 0.000 0.814 222 A HN 0.495 nan 8.150 nan 0.000 0.446 223 R N -0.699 119.737 120.500 -0.107 0.000 2.057 223 R HA 0.035 4.376 4.340 0.002 0.000 0.229 223 R C 2.105 178.302 176.300 -0.171 0.000 1.136 223 R CA 1.295 57.326 56.100 -0.115 0.000 0.952 223 R CB -0.403 29.835 30.300 -0.103 0.000 0.848 223 R HN 0.519 nan 8.270 nan 0.000 0.430 224 L N 0.993 122.097 121.223 -0.197 0.000 2.043 224 L HA -0.232 4.109 4.340 0.002 0.000 0.212 224 L C 1.502 178.096 176.870 -0.460 0.000 1.075 224 L CA 1.190 55.807 54.840 -0.373 0.000 0.752 224 L CB -0.418 41.446 42.059 -0.324 0.000 0.891 224 L HN 0.238 nan 8.230 nan 0.000 0.432 225 N N 0.042 118.609 118.700 -0.222 0.000 2.461 225 N HA -0.069 4.672 4.740 0.002 0.000 0.188 225 N C 0.176 175.420 175.510 -0.444 0.000 1.134 225 N CA 0.190 53.128 53.050 -0.188 0.000 0.878 225 N CB 0.072 38.575 38.487 0.027 0.000 0.972 225 N HN 0.223 nan 8.380 nan 0.000 0.456 226 Q N -0.547 119.036 119.800 -0.361 0.000 2.453 226 Q HA -0.164 4.177 4.340 0.002 0.000 0.294 226 Q C -1.032 174.875 176.000 -0.156 0.000 1.295 226 Q CA 0.087 55.722 55.803 -0.279 0.000 0.853 226 Q CB -1.241 27.267 28.738 -0.384 0.000 1.193 226 Q HN 0.059 nan 8.270 nan 0.000 0.461 227 V N 1.152 121.018 119.914 -0.080 0.000 2.555 227 V HA 0.018 4.139 4.120 0.002 0.000 0.286 227 V C 0.900 176.989 176.094 -0.008 0.000 1.044 227 V CA 0.179 62.477 62.300 -0.004 0.000 1.026 227 V CB 1.219 33.086 31.823 0.074 0.000 0.981 227 V HN 0.432 nan 8.190 nan 0.000 0.480 228 N N 5.805 124.507 118.700 0.004 0.000 2.365 228 N HA -0.004 4.737 4.740 0.002 0.000 0.265 228 N C -1.580 173.930 175.510 0.000 0.000 1.288 228 N CA -1.056 51.995 53.050 0.002 0.000 0.869 228 N CB 0.963 39.456 38.487 0.010 0.000 1.071 228 N HN 0.397 nan 8.380 nan 0.000 0.480 229 P HA -0.209 nan 4.420 nan 0.000 0.217 229 P C 0.580 177.879 177.300 -0.001 0.000 1.148 229 P CA 1.189 64.290 63.100 0.002 0.000 0.834 229 P CB 0.193 31.895 31.700 0.004 0.000 0.783 230 Q N -1.035 118.763 119.800 -0.003 0.000 2.482 230 Q HA -0.007 4.334 4.340 0.002 0.000 0.209 230 Q C 1.052 177.042 176.000 -0.016 0.000 0.961 230 Q CA 0.913 56.712 55.803 -0.007 0.000 0.945 230 Q CB -0.141 28.594 28.738 -0.004 0.000 1.012 230 Q HN 0.542 nan 8.270 nan 0.000 0.515 231 Q N -0.103 119.690 119.800 -0.013 0.000 2.157 231 Q HA 0.264 4.605 4.340 0.002 0.000 0.229 231 Q C -0.677 175.308 176.000 -0.025 0.000 0.827 231 Q CA -0.121 55.673 55.803 -0.016 0.000 1.055 231 Q CB 1.465 30.208 28.738 0.008 0.000 1.157 231 Q HN -0.062 nan 8.270 nan 0.000 0.482 232 V N 1.368 121.247 119.914 -0.059 0.000 2.656 232 V HA 0.553 4.674 4.120 0.002 0.000 0.307 232 V C -0.511 175.443 176.094 -0.234 0.000 1.051 232 V CA -0.636 61.579 62.300 -0.142 0.000 0.893 232 V CB 2.254 33.951 31.823 -0.210 0.000 0.999 232 V HN 0.187 nan 8.190 nan 0.000 0.426 233 I N 4.079 124.457 120.570 -0.320 0.000 2.619 233 I HA 0.520 4.691 4.170 0.002 0.000 0.292 233 I C -1.435 174.481 176.117 -0.335 0.000 1.100 233 I CA -0.324 60.825 61.300 -0.252 0.000 1.043 233 I CB 2.325 40.231 38.000 -0.157 0.000 1.239 233 I HN 0.414 nan 8.210 nan 0.000 0.420 234 F N 4.219 124.229 119.950 0.099 0.000 2.458 234 F HA 0.805 5.333 4.527 0.002 0.000 0.336 234 F C 0.371 176.284 175.800 0.187 0.000 1.114 234 F CA -0.599 57.529 58.000 0.214 0.000 0.987 234 F CB 1.924 41.050 39.000 0.209 0.000 1.130 234 F HN 0.421 nan 8.300 nan 0.000 0.458 235 A N 2.776 125.761 122.820 0.275 0.000 2.475 235 A HA 0.601 4.922 4.320 0.002 0.000 0.301 235 A C -1.294 176.079 177.584 -0.353 0.000 1.059 235 A CA -0.774 51.252 52.037 -0.017 0.000 0.710 235 A CB 1.758 20.634 19.000 -0.207 0.000 1.288 235 A HN 0.719 nan 8.150 nan 0.000 0.408 236 Q N 0.962 120.479 119.800 -0.472 0.000 2.256 236 Q HA 0.385 4.726 4.340 0.002 0.000 0.254 236 Q C -0.250 175.635 176.000 -0.191 0.000 0.916 236 Q CA -0.537 54.840 55.803 -0.710 0.000 0.932 236 Q CB 1.022 29.460 28.738 -0.501 0.000 1.207 236 Q HN 0.764 nan 8.270 nan 0.000 0.426 237 Q N 2.196 121.904 119.800 -0.153 0.000 2.395 237 Q HA -0.002 4.340 4.340 0.002 0.000 0.271 237 Q C -0.547 175.415 176.000 -0.063 0.000 1.026 237 Q CA 0.125 55.904 55.803 -0.040 0.000 0.900 237 Q CB 0.558 29.264 28.738 -0.054 0.000 1.266 237 Q HN 0.523 nan 8.270 nan 0.000 0.430 238 N N 4.188 122.831 118.700 -0.096 0.000 2.427 238 N HA 0.068 4.809 4.740 0.002 0.000 0.269 238 N C -2.149 173.317 175.510 -0.073 0.000 1.235 238 N CA -1.523 51.479 53.050 -0.081 0.000 0.934 238 N CB 0.908 39.324 38.487 -0.119 0.000 1.121 238 N HN 0.413 nan 8.380 nan 0.000 0.480 239 P HA -0.140 nan 4.420 nan 0.000 0.217 239 P C 0.400 177.677 177.300 -0.038 0.000 1.151 239 P CA 1.207 64.294 63.100 -0.022 0.000 0.849 239 P CB 0.314 32.011 31.700 -0.005 0.000 0.787 240 D N -1.231 119.137 120.400 -0.054 0.000 2.144 240 D HA -0.103 4.538 4.640 0.002 0.000 0.199 240 D C 1.962 178.209 176.300 -0.088 0.000 0.984 240 D CA 0.819 54.778 54.000 -0.068 0.000 0.834 240 D CB -0.923 39.837 40.800 -0.067 0.000 0.955 240 D HN -0.005 nan 8.370 nan 0.000 0.465 241 V N 0.592 120.438 119.914 -0.115 0.000 2.719 241 V HA -0.091 4.030 4.120 0.002 0.000 0.252 241 V C 2.106 178.143 176.094 -0.094 0.000 1.065 241 V CA 0.691 62.902 62.300 -0.149 0.000 1.086 241 V CB -0.104 31.577 31.823 -0.236 0.000 0.700 241 V HN 0.161 nan 8.190 nan 0.000 0.467 242 I N -0.318 120.220 120.570 -0.054 0.000 2.353 242 I HA -0.136 4.035 4.170 0.002 0.000 0.248 242 I C 1.775 177.954 176.117 0.102 0.000 1.119 242 I CA 1.299 62.610 61.300 0.018 0.000 1.417 242 I CB -0.428 37.594 38.000 0.037 0.000 1.078 242 I HN 0.272 nan 8.210 nan 0.000 0.421 243 D N 0.806 121.210 120.400 0.008 0.000 2.392 243 D HA -0.108 4.533 4.640 0.002 0.000 0.228 243 D C 1.476 177.690 176.300 -0.143 0.000 1.003 243 D CA 0.840 54.772 54.000 -0.113 0.000 0.917 243 D CB 0.089 40.799 40.800 -0.151 0.000 0.890 243 D HN 0.514 nan 8.370 nan 0.000 0.532 244 Q N -1.400 118.411 119.800 0.018 0.000 2.171 244 Q HA 0.303 4.644 4.340 0.002 0.000 0.218 244 Q C 0.920 177.009 176.000 0.148 0.000 0.822 244 Q CA 0.095 55.920 55.803 0.037 0.000 0.987 244 Q CB 1.735 30.447 28.738 -0.043 0.000 1.144 244 Q HN 0.216 nan 8.270 nan 0.000 0.494 245 G N 0.319 109.268 108.800 0.247 0.000 2.205 245 G HA2 -0.196 3.765 3.960 0.002 0.000 0.180 245 G HA3 -0.196 3.765 3.960 0.002 0.000 0.180 245 G C 0.134 175.067 174.900 0.055 0.000 1.004 245 G CA -0.290 44.900 45.100 0.151 0.000 0.670 245 G HN 0.146 nan 8.290 nan 0.000 0.496 246 V N 3.439 123.326 119.914 -0.045 0.000 2.229 246 V HA 0.346 4.467 4.120 0.002 0.000 0.245 246 V C 1.502 177.486 176.094 -0.184 0.000 1.243 246 V CA 0.475 62.643 62.300 -0.221 0.000 1.176 246 V CB -1.343 30.342 31.823 -0.230 0.000 1.323 246 V HN 0.492 nan 8.190 nan 0.000 0.499 247 F N 0.552 120.385 119.950 -0.194 0.000 2.661 247 F HA 0.291 4.819 4.527 0.002 0.000 0.298 247 F C 0.888 176.563 175.800 -0.209 0.000 1.137 247 F CA -0.102 57.751 58.000 -0.245 0.000 1.454 247 F CB -0.564 38.200 39.000 -0.395 0.000 1.103 247 F HN 0.394 nan 8.300 nan 0.000 0.577 248 H N -0.387 118.435 119.070 -0.414 0.000 2.895 248 H HA 0.199 4.756 4.556 0.002 0.000 0.373 248 H C 0.613 175.780 175.328 -0.269 0.000 1.174 248 H CA -0.768 55.138 56.048 -0.237 0.000 1.144 248 H CB 1.346 30.958 29.762 -0.250 0.000 1.793 248 H HN -0.110 nan 8.280 nan 0.000 0.551 249 N N 1.339 120.034 118.700 -0.008 0.000 2.223 249 N HA -0.160 4.581 4.740 0.002 0.000 0.185 249 N C 0.695 176.126 175.510 -0.131 0.000 1.016 249 N CA 1.471 54.477 53.050 -0.073 0.000 0.863 249 N CB 0.084 38.588 38.487 0.028 0.000 0.983 249 N HN 0.711 nan 8.380 nan 0.000 0.429 250 D N 0.114 120.453 120.400 -0.101 0.000 2.358 250 D HA -0.050 4.591 4.640 0.002 0.000 0.241 250 D C 1.221 177.383 176.300 -0.230 0.000 1.094 250 D CA 0.244 54.178 54.000 -0.109 0.000 0.907 250 D CB -0.066 40.703 40.800 -0.051 0.000 0.893 250 D HN 0.104 nan 8.370 nan 0.000 0.528 251 V N -0.225 119.478 119.914 -0.352 0.000 3.578 251 V HA 0.276 4.397 4.120 0.002 0.000 0.290 251 V C 1.469 177.367 176.094 -0.326 0.000 1.376 251 V CA 0.121 62.103 62.300 -0.530 0.000 1.083 251 V CB 0.108 31.489 31.823 -0.736 0.000 0.911 251 V HN 0.256 nan 8.190 nan 0.000 0.433 252 I N -0.410 119.969 120.570 -0.317 0.000 4.620 252 I HA 0.654 4.825 4.170 0.002 0.000 0.347 252 I C 0.074 175.689 176.117 -0.836 0.000 1.302 252 I CA 0.352 61.351 61.300 -0.500 0.000 1.277 252 I CB 0.896 38.587 38.000 -0.515 0.000 1.566 252 I HN 0.178 nan 8.210 nan 0.000 0.547 253 A N 0.296 122.846 122.820 -0.451 0.000 2.594 253 A HA 0.706 5.027 4.320 0.002 0.000 0.296 253 A C -2.013 175.553 177.584 -0.031 0.000 1.056 253 A CA -0.369 51.468 52.037 -0.333 0.000 0.693 253 A CB 1.788 20.651 19.000 -0.228 0.000 1.278 253 A HN 0.016 nan 8.150 nan 0.000 0.408 254 V N 1.457 121.432 119.914 0.100 0.000 2.932 254 V HA 0.845 4.966 4.120 0.002 0.000 0.307 254 V C -0.379 175.837 176.094 0.203 0.000 1.147 254 V CA 0.376 62.777 62.300 0.167 0.000 0.951 254 V CB 2.344 34.310 31.823 0.238 0.000 1.031 254 V HN 2.073 nan 8.190 nan 0.000 0.426 255 S N 4.255 120.044 115.700 0.150 0.000 2.648 255 S HA 0.856 5.327 4.470 0.002 0.000 0.305 255 S C -0.762 173.923 174.600 0.142 0.000 1.094 255 S CA -0.642 57.647 58.200 0.147 0.000 0.983 255 S CB 1.839 65.096 63.200 0.095 0.000 1.101 255 S HN 1.345 nan 8.310 nan 0.000 0.514 256 N N 0.138 118.922 118.700 0.139 0.000 2.999 256 N HA 0.297 5.038 4.740 0.002 0.000 0.244 256 N C -0.176 175.385 175.510 0.084 0.000 1.106 256 N CA -0.296 52.842 53.050 0.147 0.000 1.018 256 N CB 0.662 39.234 38.487 0.141 0.000 1.600 256 N HN 0.738 nan 8.380 nan 0.000 0.621 257 R N 0.546 121.079 120.500 0.054 0.000 3.934 257 R HA -0.236 4.105 4.340 0.002 0.000 0.384 257 R C 0.909 177.216 176.300 0.011 0.000 0.241 257 R CA 1.772 57.832 56.100 -0.066 0.000 1.241 257 R CB -1.591 28.610 30.300 -0.164 0.000 0.999 257 R HN 0.867 nan 8.270 nan 0.000 0.562 258 Q N 2.168 121.966 119.800 -0.003 0.000 2.403 258 Q HA 0.135 4.476 4.340 0.002 0.000 0.203 258 Q C 0.352 176.407 176.000 0.092 0.000 0.932 258 Q CA 0.675 56.521 55.803 0.072 0.000 0.945 258 Q CB 0.373 29.119 28.738 0.013 0.000 1.045 258 Q HN 0.310 nan 8.270 nan 0.000 0.511 259 V N 2.284 122.228 119.914 0.050 0.000 2.481 259 V HA 0.329 4.450 4.120 0.002 0.000 0.286 259 V C -0.526 175.648 176.094 0.133 0.000 1.042 259 V CA -0.870 61.443 62.300 0.021 0.000 0.928 259 V CB 1.460 33.282 31.823 -0.002 0.000 0.986 259 V HN 0.306 nan 8.190 nan 0.000 0.462 260 L N 6.025 127.325 121.223 0.130 0.000 2.401 260 L HA 0.541 4.882 4.340 0.002 0.000 0.263 260 L C -0.996 176.030 176.870 0.260 0.000 1.004 260 L CA -0.259 54.731 54.840 0.250 0.000 0.881 260 L CB 0.957 43.259 42.059 0.404 0.000 1.219 260 L HN 0.541 nan 8.230 nan 0.000 0.441 261 F N 6.563 126.582 119.950 0.116 0.000 2.413 261 F HA 0.609 5.137 4.527 0.002 0.000 0.359 261 F C 0.019 175.896 175.800 0.129 0.000 1.122 261 F CA -1.029 57.071 58.000 0.166 0.000 1.160 261 F CB 0.136 39.268 39.000 0.220 0.000 1.146 261 F HN 0.714 nan 8.300 nan 0.000 0.514 262 C N 5.002 124.209 119.300 -0.155 0.000 3.239 262 C HA 0.468 4.929 4.460 0.002 0.000 0.317 262 C C -0.349 174.187 174.990 -0.757 0.000 1.310 262 C CA -0.962 57.646 59.018 -0.682 0.000 1.371 262 C CB 1.349 28.930 27.740 -0.265 0.000 1.714 262 C HN 0.888 nan 8.230 nan 0.000 0.473 263 H N 1.301 119.636 119.070 -1.224 0.000 2.679 263 H HA 0.161 4.718 4.556 0.002 0.000 0.369 263 H C 1.187 176.291 175.328 -0.373 0.000 1.178 263 H CA 1.395 57.057 56.048 -0.642 0.000 1.419 263 H CB 1.450 30.854 29.762 -0.596 0.000 1.458 263 H HN 0.968 nan 8.280 nan 0.000 0.605 264 Q N 1.941 121.583 119.800 -0.262 0.000 2.291 264 Q HA -0.097 4.244 4.340 0.002 0.000 0.205 264 Q C 0.454 176.484 176.000 0.050 0.000 0.970 264 Q CA 1.226 56.990 55.803 -0.064 0.000 0.876 264 Q CB 0.125 28.803 28.738 -0.100 0.000 0.935 264 Q HN 0.647 nan 8.270 nan 0.000 0.455 265 Q N -0.305 119.625 119.800 0.217 0.000 2.201 265 Q HA 0.296 4.637 4.340 0.002 0.000 0.217 265 Q C 1.146 177.000 176.000 -0.243 0.000 0.860 265 Q CA 0.176 55.957 55.803 -0.038 0.000 0.984 265 Q CB 0.777 29.457 28.738 -0.096 0.000 1.095 265 Q HN 0.504 nan 8.270 nan 0.000 0.477 266 A N 0.567 123.150 122.820 -0.396 0.000 1.855 266 A HA -0.020 4.301 4.320 0.002 0.000 0.215 266 A C 0.493 177.540 177.584 -0.895 0.000 1.191 266 A CA 1.117 52.652 52.037 -0.837 0.000 0.613 266 A CB 0.060 18.250 19.000 -1.351 0.000 0.829 266 A HN 0.284 nan 8.150 nan 0.000 0.442 267 F N -1.969 117.920 119.950 -0.101 0.000 2.575 267 F HA 0.679 5.207 4.527 0.002 0.000 0.330 267 F C 0.475 176.231 175.800 -0.073 0.000 1.056 267 F CA -0.922 57.021 58.000 -0.095 0.000 0.964 267 F CB 1.462 40.410 39.000 -0.087 0.000 1.258 267 F HN 0.134 nan 8.300 nan 0.000 0.484 268 A N 0.934 123.830 122.820 0.126 0.000 2.363 268 A HA 0.593 4.914 4.320 0.002 0.000 0.270 268 A C 0.418 178.045 177.584 0.072 0.000 1.121 268 A CA -0.642 51.429 52.037 0.057 0.000 0.800 268 A CB -0.048 18.964 19.000 0.021 0.000 1.052 268 A HN 0.937 nan 8.150 nan 0.000 0.493 269 R N 1.126 121.659 120.500 0.055 0.000 3.423 269 R HA -0.237 4.104 4.340 0.002 0.000 0.271 269 R C 0.940 177.277 176.300 0.061 0.000 1.093 269 R CA 0.947 57.075 56.100 0.046 0.000 0.730 269 R CB -2.096 28.224 30.300 0.032 0.000 1.190 269 R HN 0.964 nan 8.270 nan 0.000 0.437 270 Q N 1.387 121.248 119.800 0.102 0.000 2.112 270 Q HA -0.226 4.115 4.340 0.002 0.000 0.206 270 Q C 2.058 178.113 176.000 0.090 0.000 0.987 270 Q CA 2.429 58.322 55.803 0.150 0.000 0.858 270 Q CB 0.025 28.874 28.738 0.185 0.000 0.905 270 Q HN 0.656 nan 8.270 nan 0.000 0.420 271 S N 0.032 115.772 115.700 0.066 0.000 2.368 271 S HA -0.302 4.169 4.470 0.002 0.000 0.225 271 S C 1.937 176.559 174.600 0.037 0.000 1.030 271 S CA 1.301 59.532 58.200 0.053 0.000 0.999 271 S CB -0.587 62.638 63.200 0.041 0.000 0.844 271 S HN 0.682 nan 8.310 nan 0.000 0.459 272 Q N 0.848 120.662 119.800 0.023 0.000 2.119 272 Q HA 0.029 4.370 4.340 0.002 0.000 0.201 272 Q C 2.133 178.122 176.000 -0.018 0.000 0.972 272 Q CA 1.307 57.114 55.803 0.007 0.000 0.847 272 Q CB -0.701 28.041 28.738 0.007 0.000 0.903 272 Q HN 0.482 nan 8.270 nan 0.000 0.433 273 L N 0.581 121.781 121.223 -0.037 0.000 2.017 273 L HA -0.074 4.267 4.340 0.002 0.000 0.208 273 L C 2.141 178.949 176.870 -0.105 0.000 1.073 273 L CA 1.659 56.432 54.840 -0.112 0.000 0.745 273 L CB -0.417 41.517 42.059 -0.208 0.000 0.894 273 L HN 0.371 nan 8.230 nan 0.000 0.432 274 L N -0.686 120.536 121.223 -0.002 0.000 2.083 274 L HA -0.168 4.173 4.340 0.002 0.000 0.209 274 L C 2.668 179.605 176.870 0.112 0.000 1.083 274 L CA 1.095 56.013 54.840 0.130 0.000 0.752 274 L CB -1.086 41.094 42.059 0.201 0.000 0.899 274 L HN 0.401 nan 8.230 nan 0.000 0.433 275 A N 0.121 122.972 122.820 0.051 0.000 1.898 275 A HA -0.243 4.078 4.320 0.002 0.000 0.216 275 A C 2.124 179.701 177.584 -0.011 0.000 1.181 275 A CA 1.950 54.010 52.037 0.039 0.000 0.620 275 A CB -0.811 18.204 19.000 0.025 0.000 0.819 275 A HN 0.505 nan 8.150 nan 0.000 0.442 276 N N -0.343 118.323 118.700 -0.057 0.000 2.120 276 N HA -0.114 4.627 4.740 0.002 0.000 0.188 276 N C 1.750 177.156 175.510 -0.173 0.000 1.024 276 N CA 1.258 54.252 53.050 -0.094 0.000 0.852 276 N CB -0.159 38.269 38.487 -0.098 0.000 1.003 276 N HN 0.482 nan 8.380 nan 0.000 0.424 277 L N 0.725 121.763 121.223 -0.309 0.000 2.056 277 L HA -0.107 4.234 4.340 0.002 0.000 0.207 277 L C 2.636 179.224 176.870 -0.470 0.000 1.078 277 L CA 0.906 55.365 54.840 -0.633 0.000 0.749 277 L CB -0.364 40.896 42.059 -1.332 0.000 0.901 277 L HN 0.139 nan 8.230 nan 0.000 0.433 278 R N -0.050 120.389 120.500 -0.103 0.000 2.091 278 R HA -0.171 4.170 4.340 0.002 0.000 0.238 278 R C 2.335 178.672 176.300 0.062 0.000 1.136 278 R CA 1.540 57.757 56.100 0.195 0.000 0.959 278 R CB -0.421 30.012 30.300 0.222 0.000 0.856 278 R HN 0.386 nan 8.270 nan 0.000 0.437 279 A N 0.612 123.431 122.820 -0.002 0.000 1.970 279 A HA -0.050 4.271 4.320 0.002 0.000 0.216 279 A C 1.825 179.392 177.584 -0.028 0.000 1.170 279 A CA 0.792 52.824 52.037 -0.008 0.000 0.645 279 A CB 0.015 19.006 19.000 -0.014 0.000 0.816 279 A HN 0.158 nan 8.150 nan 0.000 0.447 280 R N -0.972 119.485 120.500 -0.071 0.000 2.334 280 R HA 0.218 4.559 4.340 0.002 0.000 0.212 280 R C -0.729 175.527 176.300 -0.074 0.000 0.897 280 R CA 0.285 56.341 56.100 -0.073 0.000 1.056 280 R CB 0.599 30.843 30.300 -0.094 0.000 1.046 280 R HN 0.281 nan 8.270 nan 0.000 0.513 281 V N 2.649 122.514 119.914 -0.081 0.000 2.409 281 V HA 0.175 4.296 4.120 0.002 0.000 0.290 281 V C -0.683 175.443 176.094 0.053 0.000 1.017 281 V CA -1.189 61.089 62.300 -0.037 0.000 0.841 281 V CB 1.509 33.269 31.823 -0.105 0.000 1.003 281 V HN 0.097 nan 8.190 nan 0.000 0.426 282 N N 3.279 122.005 118.700 0.043 0.000 2.454 282 N HA 0.398 5.139 4.740 0.002 0.000 0.260 282 N C 1.269 176.821 175.510 0.071 0.000 1.218 282 N CA 1.439 54.521 53.050 0.053 0.000 0.904 282 N CB 0.852 39.359 38.487 0.033 0.000 1.065 282 N HN 1.089 nan 8.380 nan 0.000 0.462 283 G N 1.678 110.521 108.800 0.072 0.000 2.162 283 G HA2 -0.317 3.644 3.960 0.002 0.000 0.260 283 G HA3 -0.317 3.644 3.960 0.002 0.000 0.260 283 G C 0.162 175.110 174.900 0.079 0.000 0.976 283 G CA -0.169 44.961 45.100 0.051 0.000 0.655 283 G HN 0.632 nan 8.290 nan 0.000 0.533 284 F N 0.964 120.902 119.950 -0.020 0.000 2.612 284 F HA 0.441 4.968 4.527 0.001 0.000 0.389 284 F C 0.737 176.532 175.800 -0.007 0.000 1.055 284 F CA 0.414 58.404 58.000 -0.016 0.000 1.232 284 F CB 0.305 39.295 39.000 -0.017 0.000 1.044 284 F HN 0.178 nan 8.300 nan 0.000 0.560 285 M N 7.652 126.809 119.600 -0.738 0.000 2.093 285 M HA 0.573 5.054 4.480 0.002 0.000 0.297 285 M C -1.441 174.343 176.300 -0.859 0.000 0.938 285 M CA -0.498 54.408 55.300 -0.656 0.000 0.920 285 M CB 1.229 33.659 32.600 -0.284 0.000 1.517 285 M HN 0.674 nan 8.290 nan 0.000 0.427 286 A N 6.543 128.880 122.820 -0.805 0.000 2.260 286 A HA 0.646 4.967 4.320 0.002 0.000 0.308 286 A C -0.693 176.819 177.584 -0.120 0.000 1.254 286 A CA -0.563 51.224 52.037 -0.417 0.000 0.874 286 A CB 0.088 18.958 19.000 -0.218 0.000 1.153 286 A HN 0.918 nan 8.150 nan 0.000 0.527 287 I N 2.801 123.388 120.570 0.029 0.000 2.347 287 I HA 0.208 4.379 4.170 0.002 0.000 0.283 287 I C 0.257 176.516 176.117 0.235 0.000 1.058 287 I CA -0.009 61.382 61.300 0.151 0.000 1.202 287 I CB 0.964 39.100 38.000 0.227 0.000 1.386 287 I HN 0.768 nan 8.210 nan 0.000 0.475 288 E N 5.663 125.940 120.200 0.129 0.000 2.197 288 E HA 0.421 4.772 4.350 0.002 0.000 0.281 288 E C -1.191 175.429 176.600 0.034 0.000 0.995 288 E CA -0.645 55.788 56.400 0.055 0.000 0.808 288 E CB 1.662 31.369 29.700 0.011 0.000 1.093 288 E HN 0.304 nan 8.360 nan 0.000 0.394 289 V N 7.661 127.520 119.914 -0.090 0.000 2.350 289 V HA 0.323 4.444 4.120 0.002 0.000 0.276 289 V C -2.002 173.798 176.094 -0.490 0.000 1.028 289 V CA -1.677 60.469 62.300 -0.257 0.000 0.860 289 V CB 0.965 32.632 31.823 -0.260 0.000 0.990 289 V HN 0.703 nan 8.190 nan 0.000 0.453 290 P HA 0.194 nan 4.420 nan 0.000 0.277 290 P C 0.555 177.697 177.300 -0.264 0.000 1.240 290 P CA -0.259 62.686 63.100 -0.259 0.000 0.798 290 P CB 1.578 33.210 31.700 -0.114 0.000 0.979 291 A N 2.692 125.452 122.820 -0.100 0.000 2.024 291 A HA -0.149 4.172 4.320 0.002 0.000 0.220 291 A C 2.216 179.807 177.584 0.011 0.000 1.164 291 A CA 2.091 54.166 52.037 0.063 0.000 0.643 291 A CB -1.867 17.202 19.000 0.115 0.000 0.806 291 A HN 0.564 nan 8.150 nan 0.000 0.451 292 T N -0.179 114.363 114.554 -0.021 0.000 2.720 292 T HA -0.175 4.176 4.350 0.002 0.000 0.268 292 T C 2.050 176.743 174.700 -0.012 0.000 1.037 292 T CA 1.908 64.003 62.100 -0.009 0.000 1.144 292 T CB -0.180 68.683 68.868 -0.009 0.000 0.864 292 T HN 0.690 nan 8.240 nan 0.000 0.444 293 Q N -0.411 119.352 119.800 -0.061 0.000 2.204 293 Q HA 0.156 4.497 4.340 0.002 0.000 0.198 293 Q C -0.014 175.940 176.000 -0.076 0.000 0.946 293 Q CA 0.631 56.397 55.803 -0.062 0.000 0.859 293 Q CB 0.665 29.331 28.738 -0.120 0.000 0.946 293 Q HN 0.258 nan 8.270 nan 0.000 0.474 294 V N 1.652 121.492 119.914 -0.125 0.000 2.567 294 V HA 0.151 4.272 4.120 0.002 0.000 0.298 294 V C -0.294 175.858 176.094 0.098 0.000 1.047 294 V CA -0.792 61.487 62.300 -0.035 0.000 0.880 294 V CB 1.728 33.469 31.823 -0.137 0.000 1.009 294 V HN 0.254 nan 8.190 nan 0.000 0.429 295 S N 3.742 119.499 115.700 0.096 0.000 2.593 295 S HA 0.327 4.798 4.470 0.002 0.000 0.269 295 S C 1.191 175.823 174.600 0.054 0.000 1.334 295 S CA -0.282 57.976 58.200 0.097 0.000 1.015 295 S CB 1.615 64.845 63.200 0.050 0.000 0.912 295 S HN 0.425 nan 8.310 nan 0.000 0.541 296 V N 2.245 122.118 119.914 -0.068 0.000 2.407 296 V HA -0.149 3.972 4.120 0.002 0.000 0.248 296 V C 2.795 178.834 176.094 -0.092 0.000 1.055 296 V CA 2.311 64.484 62.300 -0.212 0.000 1.049 296 V CB -1.349 30.310 31.823 -0.274 0.000 0.662 296 V HN 0.972 nan 8.190 nan 0.000 0.455 297 S N -0.085 115.587 115.700 -0.046 0.000 2.353 297 S HA -0.226 4.245 4.470 0.002 0.000 0.222 297 S C 1.755 176.340 174.600 -0.024 0.000 1.035 297 S CA 1.746 59.934 58.200 -0.019 0.000 1.025 297 S CB -0.407 62.794 63.200 0.000 0.000 0.902 297 S HN 0.618 nan 8.310 nan 0.000 0.440 298 D N 0.612 120.988 120.400 -0.039 0.000 2.219 298 D HA -0.018 4.623 4.640 0.002 0.000 0.205 298 D C 1.979 178.209 176.300 -0.118 0.000 0.970 298 D CA 0.871 54.786 54.000 -0.142 0.000 0.851 298 D CB -0.557 40.137 40.800 -0.178 0.000 0.943 298 D HN 0.308 nan 8.370 nan 0.000 0.488 299 T N 0.122 114.657 114.554 -0.031 0.000 2.746 299 T HA -0.078 4.273 4.350 0.002 0.000 0.267 299 T C 2.180 176.906 174.700 0.044 0.000 1.039 299 T CA 0.697 62.811 62.100 0.024 0.000 1.142 299 T CB -0.133 68.787 68.868 0.086 0.000 0.866 299 T HN -0.008 nan 8.240 nan 0.000 0.444 300 V N 1.934 121.869 119.914 0.035 0.000 2.548 300 V HA -0.118 4.003 4.120 0.002 0.000 0.249 300 V C 2.753 178.977 176.094 0.217 0.000 1.055 300 V CA 1.840 64.209 62.300 0.116 0.000 1.065 300 V CB -0.680 31.184 31.823 0.068 0.000 0.681 300 V HN 0.637 nan 8.190 nan 0.000 0.462 301 S N 0.734 116.486 115.700 0.087 0.000 2.395 301 S HA -0.155 4.316 4.470 0.002 0.000 0.225 301 S C 2.033 176.655 174.600 0.036 0.000 1.027 301 S CA 1.535 59.761 58.200 0.043 0.000 0.965 301 S CB -0.445 62.752 63.200 -0.005 0.000 0.812 301 S HN 0.702 nan 8.310 nan 0.000 0.482 302 T N -4.084 110.489 114.554 0.033 0.000 3.044 302 T HA 0.135 4.486 4.350 0.002 0.000 0.255 302 T C 0.413 175.231 174.700 0.197 0.000 1.073 302 T CA 0.334 62.465 62.100 0.053 0.000 1.125 302 T CB -0.734 68.120 68.868 -0.024 0.000 0.908 302 T HN 0.302 nan 8.240 nan 0.000 0.480 303 Y N 1.177 121.460 120.300 -0.028 0.000 3.689 303 Y HA -0.200 4.351 4.550 0.002 0.000 0.221 303 Y C 1.260 177.151 175.900 -0.014 0.000 1.247 303 Y CA -0.135 57.961 58.100 -0.007 0.000 1.671 303 Y CB -2.483 35.987 38.460 0.018 0.000 1.521 303 Y HN 0.533 nan 8.280 nan 0.000 0.632 304 L N -4.303 116.916 121.223 -0.006 0.000 2.265 304 L HA -0.082 4.259 4.340 0.002 0.000 0.215 304 L C 1.827 178.556 176.870 -0.235 0.000 1.117 304 L CA 1.629 56.393 54.840 -0.126 0.000 0.782 304 L CB -0.671 41.221 42.059 -0.278 0.000 0.914 304 L HN 0.154 nan 8.230 nan 0.000 0.441 305 F N -0.073 119.852 119.950 -0.042 0.000 2.776 305 F HA 0.131 4.658 4.527 0.001 0.000 0.300 305 F C 1.817 177.555 175.800 -0.103 0.000 1.116 305 F CA 0.051 57.970 58.000 -0.135 0.000 1.375 305 F CB -0.073 38.751 39.000 -0.294 0.000 1.109 305 F HN 0.197 nan 8.300 nan 0.000 0.585 306 N N 0.889 119.598 118.700 0.014 0.000 2.389 306 N HA 0.004 4.745 4.740 0.002 0.000 0.237 306 N C -0.014 175.570 175.510 0.124 0.000 1.148 306 N CA -0.175 52.870 53.050 -0.009 0.000 0.854 306 N CB 0.229 38.646 38.487 -0.117 0.000 1.115 306 N HN 0.145 nan 8.380 nan 0.000 0.492 307 S N -0.564 115.229 115.700 0.156 0.000 2.693 307 S HA 0.295 4.766 4.470 0.002 0.000 0.276 307 S C -0.142 174.545 174.600 0.145 0.000 1.192 307 S CA -0.682 57.619 58.200 0.168 0.000 0.994 307 S CB 1.763 65.081 63.200 0.197 0.000 1.012 307 S HN 0.189 nan 8.310 nan 0.000 0.550 308 Q N 0.348 120.210 119.800 0.104 0.000 2.290 308 Q HA 0.480 4.821 4.340 0.002 0.000 0.259 308 Q C -1.418 174.607 176.000 0.043 0.000 0.941 308 Q CA -0.739 55.100 55.803 0.059 0.000 0.912 308 Q CB 1.572 30.308 28.738 -0.002 0.000 1.244 308 Q HN 0.552 nan 8.270 nan 0.000 0.441 309 L N 5.055 126.315 121.223 0.060 0.000 2.272 309 L HA 0.389 4.730 4.340 0.002 0.000 0.284 309 L C -1.402 175.483 176.870 0.025 0.000 1.045 309 L CA -0.036 54.830 54.840 0.043 0.000 0.842 309 L CB 0.380 42.494 42.059 0.091 0.000 1.224 309 L HN 0.532 nan 8.230 nan 0.000 0.430 310 L N 3.049 124.244 121.223 -0.045 0.000 2.334 310 L HA 0.549 4.890 4.340 0.002 0.000 0.275 310 L C 0.408 177.337 176.870 0.098 0.000 1.036 310 L CA -0.596 54.210 54.840 -0.056 0.000 0.807 310 L CB 1.595 43.357 42.059 -0.495 0.000 1.231 310 L HN 0.469 nan 8.230 nan 0.000 0.438 311 S N 1.664 117.513 115.700 0.248 0.000 2.457 311 S HA 0.457 4.928 4.470 0.002 0.000 0.289 311 S C -0.165 174.611 174.600 0.293 0.000 1.163 311 S CA -0.763 57.564 58.200 0.211 0.000 1.078 311 S CB 0.888 64.175 63.200 0.145 0.000 0.987 311 S HN 0.448 nan 8.310 nan 0.000 0.482 312 R N 1.568 122.174 120.500 0.178 0.000 2.528 312 R HA 0.236 4.577 4.340 0.002 0.000 0.271 312 R C 0.525 176.832 176.300 0.011 0.000 1.056 312 R CA -0.803 55.364 56.100 0.112 0.000 1.117 312 R CB 0.430 30.785 30.300 0.092 0.000 1.085 312 R HN 0.581 nan 8.270 nan 0.000 0.530 313 D N 1.762 122.125 120.400 -0.063 0.000 2.191 313 D HA -0.208 4.433 4.640 0.002 0.000 0.195 313 D C 0.831 177.115 176.300 -0.026 0.000 1.003 313 D CA 2.026 55.984 54.000 -0.070 0.000 0.867 313 D CB -0.082 40.660 40.800 -0.097 0.000 0.926 313 D HN 0.629 nan 8.370 nan 0.000 0.450 314 D N -1.689 118.700 120.400 -0.019 0.000 2.319 314 D HA 0.231 4.872 4.640 0.002 0.000 0.230 314 D C 1.429 177.723 176.300 -0.010 0.000 1.094 314 D CA 0.645 54.639 54.000 -0.010 0.000 0.856 314 D CB 0.279 41.071 40.800 -0.014 0.000 0.915 314 D HN 0.198 nan 8.370 nan 0.000 0.517 315 G N -0.046 108.747 108.800 -0.012 0.000 2.284 315 G HA2 -0.349 3.612 3.960 0.002 0.000 0.247 315 G HA3 -0.349 3.612 3.960 0.002 0.000 0.247 315 G C 0.585 175.466 174.900 -0.032 0.000 1.012 315 G CA 0.330 45.410 45.100 -0.033 0.000 0.618 315 G HN 0.749 nan 8.290 nan 0.000 0.521 316 S N 0.191 115.881 115.700 -0.017 0.000 2.596 316 S HA 0.699 5.170 4.470 0.002 0.000 0.260 316 S C 0.538 175.138 174.600 -0.000 0.000 1.336 316 S CA 0.511 58.699 58.200 -0.019 0.000 0.993 316 S CB 0.468 63.658 63.200 -0.016 0.000 0.923 316 S HN 0.479 nan 8.310 nan 0.000 0.567 317 M N 2.097 121.688 119.600 -0.015 0.000 2.591 317 M HA 0.457 4.938 4.480 0.002 0.000 0.306 317 M C -0.594 175.697 176.300 -0.015 0.000 1.190 317 M CA -0.471 54.827 55.300 -0.003 0.000 0.889 317 M CB 2.267 34.848 32.600 -0.031 0.000 1.728 317 M HN 0.759 nan 8.290 nan 0.000 0.458 318 M N 2.469 122.066 119.600 -0.004 0.000 2.456 318 M HA 0.557 5.038 4.480 0.002 0.000 0.324 318 M C -2.020 174.253 176.300 -0.045 0.000 1.124 318 M CA -0.715 54.575 55.300 -0.018 0.000 0.959 318 M CB 1.693 34.302 32.600 0.014 0.000 1.692 318 M HN 0.687 nan 8.290 nan 0.000 0.444 319 L N 5.352 126.553 121.223 -0.037 0.000 2.276 319 L HA 0.453 4.794 4.340 0.002 0.000 0.286 319 L C -1.094 175.808 176.870 0.053 0.000 1.024 319 L CA -0.814 54.018 54.840 -0.012 0.000 0.826 319 L CB 1.632 43.658 42.059 -0.056 0.000 1.211 319 L HN 0.501 nan 8.230 nan 0.000 0.422 320 V N 6.191 126.150 119.914 0.075 0.000 2.368 320 V HA 0.325 4.446 4.120 0.002 0.000 0.266 320 V C 0.158 176.363 176.094 0.185 0.000 1.045 320 V CA -0.240 62.154 62.300 0.157 0.000 0.899 320 V CB 1.062 32.960 31.823 0.125 0.000 1.006 320 V HN 0.517 nan 8.190 nan 0.000 0.470 321 L N 7.655 129.008 121.223 0.217 0.000 2.319 321 L HA 0.666 5.007 4.340 0.002 0.000 0.267 321 L C -2.365 174.635 176.870 0.217 0.000 1.011 321 L CA -1.917 53.049 54.840 0.210 0.000 0.818 321 L CB 2.625 44.812 42.059 0.213 0.000 1.316 321 L HN 0.371 nan 8.230 nan 0.000 0.432 322 P HA 0.082 nan 4.420 nan 0.000 0.281 322 P C -0.289 177.073 177.300 0.104 0.000 1.249 322 P CA -0.450 62.745 63.100 0.159 0.000 0.810 322 P CB 1.276 33.062 31.700 0.143 0.000 1.008 323 Q N 1.600 121.440 119.800 0.067 0.000 2.197 323 Q HA -0.207 4.134 4.340 0.002 0.000 0.211 323 Q C 1.646 177.640 176.000 -0.009 0.000 0.993 323 Q CA 1.930 57.733 55.803 -0.001 0.000 0.883 323 Q CB -0.229 28.504 28.738 -0.007 0.000 0.916 323 Q HN 0.579 nan 8.270 nan 0.000 0.418 324 E N -0.958 119.258 120.200 0.027 0.000 2.401 324 E HA -0.140 4.211 4.350 0.002 0.000 0.199 324 E C 1.929 178.582 176.600 0.089 0.000 1.023 324 E CA 0.674 57.099 56.400 0.042 0.000 0.859 324 E CB -0.656 29.065 29.700 0.035 0.000 0.780 324 E HN 0.315 nan 8.360 nan 0.000 0.523 325 C N 1.010 120.376 119.300 0.111 0.000 2.464 325 C HA 0.090 4.551 4.460 0.002 0.000 0.278 325 C C 2.609 177.758 174.990 0.265 0.000 1.375 325 C CA 0.539 59.685 59.018 0.213 0.000 1.761 325 C CB -0.762 27.131 27.740 0.255 0.000 1.944 325 C HN 0.351 nan 8.230 nan 0.000 0.509 326 R N 1.808 122.284 120.500 -0.041 0.000 2.173 326 R HA 0.033 4.374 4.340 0.002 0.000 0.208 326 R C 1.553 177.647 176.300 -0.343 0.000 1.035 326 R CA 1.341 57.101 56.100 -0.567 0.000 1.004 326 R CB -0.615 29.165 30.300 -0.867 0.000 0.917 326 R HN 0.532 nan 8.270 nan 0.000 0.462 327 E N -0.984 119.147 120.200 -0.115 0.000 2.502 327 E HA -0.052 4.299 4.350 0.002 0.000 0.194 327 E C -0.471 176.165 176.600 0.059 0.000 1.062 327 E CA 0.178 56.549 56.400 -0.049 0.000 0.867 327 E CB 0.011 29.698 29.700 -0.022 0.000 0.888 327 E HN 0.339 nan 8.360 nan 0.000 0.510 328 H N -0.250 118.847 119.070 0.045 0.000 2.638 328 H HA 0.384 4.941 4.556 0.002 0.000 0.303 328 H C 0.816 176.238 175.328 0.157 0.000 1.034 328 H CA -0.211 55.892 56.048 0.091 0.000 1.225 328 H CB 0.980 30.804 29.762 0.103 0.000 1.394 328 H HN 0.012 nan 8.280 nan 0.000 0.477 329 A N 3.908 126.630 122.820 -0.164 0.000 1.884 329 A HA -0.226 4.095 4.320 0.002 0.000 0.219 329 A C 2.438 180.045 177.584 0.038 0.000 1.197 329 A CA 2.059 54.078 52.037 -0.029 0.000 0.637 329 A CB -1.350 17.597 19.000 -0.088 0.000 0.827 329 A HN 0.874 nan 8.150 nan 0.000 0.450 330 G N -0.911 107.817 108.800 -0.119 0.000 2.480 330 G HA2 -0.142 3.819 3.960 0.002 0.000 0.216 330 G HA3 -0.142 3.819 3.960 0.002 0.000 0.216 330 G C 1.552 176.651 174.900 0.332 0.000 1.200 330 G CA 1.395 46.578 45.100 0.137 0.000 0.782 330 G HN 0.373 nan 8.290 nan 0.000 0.554 331 V N -0.032 120.250 119.914 0.614 0.000 2.343 331 V HA -0.156 3.966 4.120 0.002 0.000 0.247 331 V C 2.274 178.585 176.094 0.362 0.000 1.051 331 V CA 1.798 64.351 62.300 0.422 0.000 1.036 331 V CB -0.599 31.410 31.823 0.311 0.000 0.654 331 V HN 0.634 nan 8.190 nan 0.000 0.451 332 W N 1.030 122.434 121.300 0.172 0.000 2.338 332 W HA -0.163 4.497 4.660 0.001 0.000 0.304 332 W C 2.175 178.727 176.519 0.056 0.000 1.212 332 W CA 1.499 58.896 57.345 0.087 0.000 1.264 332 W CB -0.376 29.118 29.460 0.057 0.000 1.142 332 W HN 0.372 nan 8.180 nan 0.000 0.512 333 G N -0.531 108.303 108.800 0.057 0.000 2.418 333 G HA2 -0.397 3.564 3.960 0.002 0.000 0.217 333 G HA3 -0.397 3.564 3.960 0.002 0.000 0.217 333 G C 1.211 176.045 174.900 -0.109 0.000 1.158 333 G CA 1.178 46.241 45.100 -0.062 0.000 0.771 333 G HN 0.431 nan 8.290 nan 0.000 0.545 334 Y N 0.748 121.011 120.300 -0.062 0.000 2.200 334 Y HA -0.005 4.546 4.550 0.002 0.000 0.290 334 Y C 2.512 178.339 175.900 -0.122 0.000 1.137 334 Y CA 0.805 58.871 58.100 -0.058 0.000 1.163 334 Y CB -0.154 38.309 38.460 0.005 0.000 0.988 334 Y HN 0.030 nan 8.280 nan 0.000 0.518 335 L N 0.890 121.903 121.223 -0.349 0.000 2.083 335 L HA -0.253 4.088 4.340 0.002 0.000 0.209 335 L C 1.976 178.503 176.870 -0.572 0.000 1.083 335 L CA 1.702 56.273 54.840 -0.449 0.000 0.752 335 L CB -1.454 40.421 42.059 -0.307 0.000 0.899 335 L HN 0.438 nan 8.230 nan 0.000 0.433 336 N N -0.303 118.012 118.700 -0.643 0.000 2.270 336 N HA -0.192 4.549 4.740 0.002 0.000 0.181 336 N C 1.736 177.011 175.510 -0.392 0.000 1.016 336 N CA 0.808 53.532 53.050 -0.543 0.000 0.870 336 N CB 0.210 38.345 38.487 -0.587 0.000 0.979 336 N HN 0.479 nan 8.380 nan 0.000 0.431 337 E N 0.930 120.892 120.200 -0.397 0.000 2.077 337 E HA -0.156 4.195 4.350 0.002 0.000 0.193 337 E C 2.020 178.407 176.600 -0.355 0.000 0.989 337 E CA 0.645 56.855 56.400 -0.317 0.000 0.800 337 E CB 0.016 29.548 29.700 -0.279 0.000 0.746 337 E HN 0.073 nan 8.360 nan 0.000 0.452 338 L N 0.777 121.679 121.223 -0.536 0.000 2.083 338 L HA -0.121 4.220 4.340 0.002 0.000 0.209 338 L C 2.299 178.978 176.870 -0.318 0.000 1.083 338 L CA 1.274 55.843 54.840 -0.451 0.000 0.752 338 L CB -0.532 41.181 42.059 -0.578 0.000 0.899 338 L HN 0.304 nan 8.230 nan 0.000 0.433 339 L N -0.395 120.633 121.223 -0.326 0.000 2.017 339 L HA -0.109 4.232 4.340 0.002 0.000 0.208 339 L C 2.415 179.171 176.870 -0.190 0.000 1.073 339 L CA 2.135 56.827 54.840 -0.248 0.000 0.745 339 L CB -0.869 41.032 42.059 -0.262 0.000 0.894 339 L HN 0.237 nan 8.230 nan 0.000 0.432 340 A N -0.197 122.509 122.820 -0.190 0.000 1.968 340 A HA 0.304 4.625 4.320 0.002 0.000 0.217 340 A C 1.565 179.077 177.584 -0.121 0.000 1.169 340 A CA 0.663 52.616 52.037 -0.140 0.000 0.638 340 A CB -1.143 17.777 19.000 -0.133 0.000 0.812 340 A HN 0.541 nan 8.150 nan 0.000 0.446 341 A N 0.295 123.032 122.820 -0.138 0.000 2.475 341 A HA 0.292 4.613 4.320 0.002 0.000 0.239 341 A C -0.035 177.492 177.584 -0.095 0.000 1.087 341 A CA 0.340 52.312 52.037 -0.109 0.000 0.779 341 A CB -0.192 18.739 19.000 -0.115 0.000 1.036 341 A HN 0.383 nan 8.150 nan 0.000 0.506 342 D N 0.360 120.716 120.400 -0.074 0.000 2.402 342 D HA 0.420 5.061 4.640 0.002 0.000 0.235 342 D C -0.187 176.070 176.300 -0.071 0.000 1.226 342 D CA 0.330 54.291 54.000 -0.066 0.000 0.918 342 D CB -0.337 40.433 40.800 -0.051 0.000 1.043 342 D HN 0.702 nan 8.370 nan 0.000 0.506 343 N N 1.040 119.691 118.700 -0.082 0.000 3.261 343 N HA 0.339 5.080 4.740 0.002 0.000 0.248 343 N C -2.523 172.932 175.510 -0.091 0.000 1.498 343 N CA -1.088 51.909 53.050 -0.087 0.000 0.884 343 N CB 0.480 38.906 38.487 -0.101 0.000 1.428 343 N HN -0.137 nan 8.380 nan 0.000 0.517 344 P HA 0.118 nan 4.420 nan 0.000 0.220 344 P C -0.250 176.993 177.300 -0.096 0.000 1.148 344 P CA 0.853 63.902 63.100 -0.086 0.000 0.803 344 P CB 0.123 31.773 31.700 -0.082 0.000 0.782 345 I N 0.094 120.584 120.570 -0.133 0.000 2.453 345 I HA -0.023 4.148 4.170 0.002 0.000 0.300 345 I C 0.596 176.634 176.117 -0.132 0.000 1.159 345 I CA 0.549 61.754 61.300 -0.157 0.000 1.379 345 I CB -0.234 37.617 38.000 -0.248 0.000 1.460 345 I HN -0.104 nan 8.210 nan 0.000 0.601 346 S N 4.450 120.095 115.700 -0.091 0.000 2.554 346 S HA 0.173 4.644 4.470 0.002 0.000 0.226 346 S C 0.245 174.808 174.600 -0.061 0.000 0.980 346 S CA -0.270 57.885 58.200 -0.075 0.000 0.939 346 S CB 0.035 63.204 63.200 -0.053 0.000 0.832 346 S HN 0.728 nan 8.310 nan 0.000 0.486 347 E N 0.939 121.102 120.200 -0.061 0.000 2.381 347 E HA 0.404 4.755 4.350 0.002 0.000 0.286 347 E C -1.906 174.673 176.600 -0.036 0.000 0.960 347 E CA -0.536 55.842 56.400 -0.036 0.000 0.793 347 E CB 1.054 30.756 29.700 0.004 0.000 1.225 347 E HN 0.097 nan 8.360 nan 0.000 0.420 348 L N 3.130 124.342 121.223 -0.017 0.000 2.341 348 L HA 0.612 4.953 4.340 0.002 0.000 0.278 348 L C -0.555 176.354 176.870 0.065 0.000 1.005 348 L CA -1.012 53.842 54.840 0.023 0.000 0.818 348 L CB 1.680 43.752 42.059 0.022 0.000 1.259 348 L HN 0.370 nan 8.230 nan 0.000 0.418 349 K N 2.384 122.826 120.400 0.071 0.000 2.471 349 K HA 0.642 4.963 4.320 0.002 0.000 0.252 349 K C -1.543 175.065 176.600 0.014 0.000 0.938 349 K CA -0.424 55.870 56.287 0.012 0.000 0.796 349 K CB 2.017 34.548 32.500 0.052 0.000 1.161 349 K HN 0.296 nan 8.250 nan 0.000 0.425 350 V N 5.142 124.971 119.914 -0.142 0.000 2.555 350 V HA 0.621 4.742 4.120 0.002 0.000 0.302 350 V C -0.881 175.005 176.094 -0.346 0.000 1.038 350 V CA -0.636 61.604 62.300 -0.100 0.000 0.887 350 V CB 1.110 32.882 31.823 -0.086 0.000 0.991 350 V HN 0.658 nan 8.190 nan 0.000 0.434 351 F N 1.187 121.154 119.950 0.028 0.000 2.577 351 F HA 0.465 4.993 4.527 0.001 0.000 0.318 351 F C -0.098 175.715 175.800 0.021 0.000 1.065 351 F CA -0.829 57.185 58.000 0.024 0.000 0.929 351 F CB 1.820 40.839 39.000 0.032 0.000 1.237 351 F HN 0.427 nan 8.300 nan 0.000 0.468 352 D N 2.673 123.201 120.400 0.213 0.000 2.380 352 D HA 0.363 5.004 4.640 0.002 0.000 0.230 352 D C -0.503 175.877 176.300 0.133 0.000 1.154 352 D CA 0.216 54.291 54.000 0.125 0.000 0.859 352 D CB 0.460 41.306 40.800 0.078 0.000 1.045 352 D HN 0.477 nan 8.370 nan 0.000 0.495 353 L N 4.319 125.611 121.223 0.115 0.000 3.186 353 L HA 0.341 4.682 4.340 0.002 0.000 0.292 353 L C 1.793 178.710 176.870 0.079 0.000 1.303 353 L CA -0.478 54.422 54.840 0.100 0.000 0.940 353 L CB 0.378 42.508 42.059 0.118 0.000 1.358 353 L HN 0.247 nan 8.230 nan 0.000 0.581 354 R N 0.704 121.242 120.500 0.063 0.000 2.096 354 R HA -0.184 4.157 4.340 0.002 0.000 0.240 354 R C 2.025 178.365 176.300 0.067 0.000 1.139 354 R CA 1.776 57.901 56.100 0.041 0.000 0.952 354 R CB 0.179 30.502 30.300 0.038 0.000 0.854 354 R HN 0.315 nan 8.270 nan 0.000 0.436 355 E N -0.295 119.975 120.200 0.117 0.000 2.058 355 E HA -0.194 4.157 4.350 0.002 0.000 0.194 355 E C 2.001 178.772 176.600 0.285 0.000 0.997 355 E CA 1.600 58.143 56.400 0.239 0.000 0.801 355 E CB -0.531 29.242 29.700 0.123 0.000 0.746 355 E HN 0.296 nan 8.360 nan 0.000 0.450 356 S N -0.041 115.765 115.700 0.177 0.000 2.383 356 S HA -0.091 4.380 4.470 0.002 0.000 0.227 356 S C 1.934 176.715 174.600 0.302 0.000 1.026 356 S CA 0.787 59.185 58.200 0.329 0.000 0.981 356 S CB -0.011 63.376 63.200 0.312 0.000 0.818 356 S HN 0.108 nan 8.310 nan 0.000 0.472 357 M N 1.155 120.823 119.600 0.115 0.000 2.213 357 M HA -0.012 4.469 4.480 0.002 0.000 0.263 357 M C 2.390 178.628 176.300 -0.103 0.000 1.062 357 M CA 1.358 56.621 55.300 -0.061 0.000 1.105 357 M CB -1.474 31.066 32.600 -0.100 0.000 1.385 357 M HN 0.505 nan 8.290 nan 0.000 0.417 358 A N -0.053 122.693 122.820 -0.123 0.000 2.125 358 A HA -0.119 4.202 4.320 0.002 0.000 0.219 358 A C 1.652 179.184 177.584 -0.088 0.000 1.156 358 A CA 1.337 53.060 52.037 -0.523 0.000 0.671 358 A CB -0.523 17.799 19.000 -1.130 0.000 0.794 358 A HN 0.462 nan 8.150 nan 0.000 0.459 359 N N -1.114 117.716 118.700 0.216 0.000 2.214 359 N HA 0.224 4.965 4.740 0.002 0.000 0.214 359 N C 0.813 176.274 175.510 -0.082 0.000 1.132 359 N CA 0.856 54.046 53.050 0.234 0.000 0.856 359 N CB 0.640 39.465 38.487 0.564 0.000 1.020 359 N HN 0.525 nan 8.380 nan 0.000 0.509 360 G N -0.518 108.230 108.800 -0.086 0.000 2.132 360 G HA2 -0.155 3.806 3.960 0.002 0.000 0.228 360 G HA3 -0.155 3.806 3.960 0.002 0.000 0.228 360 G C 0.222 175.094 174.900 -0.046 0.000 1.000 360 G CA -0.061 45.004 45.100 -0.058 0.000 0.693 360 G HN 0.543 nan 8.290 nan 0.000 0.515 361 G N -0.692 108.021 108.800 -0.146 0.000 2.609 361 G HA2 0.808 4.769 3.960 0.002 0.000 0.308 361 G HA3 0.808 4.769 3.960 0.002 0.000 0.308 361 G C 0.336 175.360 174.900 0.207 0.000 1.369 361 G CA 0.396 45.494 45.100 -0.004 0.000 0.958 361 G HN 1.041 nan 8.290 nan 0.000 0.499 362 G N 1.600 110.614 108.800 0.357 0.000 2.857 362 G HA2 0.633 4.594 3.960 0.002 0.000 0.217 362 G HA3 0.633 4.594 3.960 0.002 0.000 0.217 362 G C -1.352 173.702 174.900 0.256 0.000 1.357 362 G CA -1.122 44.167 45.100 0.315 0.000 1.033 362 G HN 0.343 nan 8.290 nan 0.000 0.571 363 P HA -0.131 nan 4.420 nan 0.000 0.214 363 P C 2.115 179.492 177.300 0.127 0.000 1.163 363 P CA 2.620 65.800 63.100 0.132 0.000 0.889 363 P CB 0.056 31.830 31.700 0.122 0.000 0.790 364 A N -0.115 122.788 122.820 0.138 0.000 1.930 364 A HA -0.181 4.140 4.320 0.002 0.000 0.217 364 A C 2.364 180.037 177.584 0.148 0.000 1.175 364 A CA 2.239 54.347 52.037 0.118 0.000 0.627 364 A CB -1.723 17.336 19.000 0.098 0.000 0.815 364 A HN 0.337 nan 8.150 nan 0.000 0.443 365 S N -0.096 115.723 115.700 0.199 0.000 2.419 365 S HA -0.063 4.408 4.470 0.002 0.000 0.233 365 S C 1.482 176.307 174.600 0.375 0.000 1.016 365 S CA 1.447 59.808 58.200 0.269 0.000 0.974 365 S CB -0.572 62.785 63.200 0.261 0.000 0.786 365 S HN 0.422 nan 8.310 nan 0.000 0.492 366 L N 0.955 122.366 121.223 0.315 0.000 2.591 366 L HA 0.311 4.652 4.340 0.002 0.000 0.228 366 L C 0.644 177.601 176.870 0.146 0.000 1.133 366 L CA -0.246 54.733 54.840 0.233 0.000 0.880 366 L CB -0.182 41.976 42.059 0.165 0.000 1.033 366 L HN 0.382 nan 8.230 nan 0.000 0.450 367 R N -0.100 120.487 120.500 0.144 0.000 2.725 367 R HA 0.653 4.994 4.340 0.002 0.000 0.277 367 R C -1.438 174.940 176.300 0.131 0.000 0.987 367 R CA -0.727 55.450 56.100 0.127 0.000 0.901 367 R CB 1.366 31.719 30.300 0.089 0.000 1.207 367 R HN -0.123 nan 8.270 nan 0.000 0.463 368 L N 1.858 123.177 121.223 0.161 0.000 2.342 368 L HA 0.550 4.891 4.340 0.002 0.000 0.276 368 L C -0.768 176.199 176.870 0.162 0.000 0.997 368 L CA -0.518 54.396 54.840 0.123 0.000 0.838 368 L CB 1.461 43.569 42.059 0.081 0.000 1.224 368 L HN 0.676 nan 8.230 nan 0.000 0.416 369 R N 4.094 124.658 120.500 0.106 0.000 2.296 369 R HA 0.501 4.842 4.340 0.002 0.000 0.323 369 R C -1.091 175.252 176.300 0.072 0.000 1.067 369 R CA -0.291 55.872 56.100 0.104 0.000 0.946 369 R CB 0.805 31.140 30.300 0.059 0.000 0.991 369 R HN 0.464 nan 8.270 nan 0.000 0.448 370 V N 4.718 124.715 119.914 0.138 0.000 2.380 370 V HA 0.148 4.269 4.120 0.002 0.000 0.286 370 V C -0.007 176.164 176.094 0.128 0.000 1.015 370 V CA -0.899 61.446 62.300 0.076 0.000 0.834 370 V CB 1.721 33.536 31.823 -0.013 0.000 1.009 370 V HN 0.465 nan 8.190 nan 0.000 0.428 371 V N 7.260 127.213 119.914 0.066 0.000 2.439 371 V HA 0.320 4.441 4.120 0.002 0.000 0.271 371 V C 0.012 176.187 176.094 0.135 0.000 1.040 371 V CA 0.265 62.609 62.300 0.073 0.000 1.002 371 V CB 0.688 32.556 31.823 0.074 0.000 1.000 371 V HN 0.623 nan 8.190 nan 0.000 0.477 372 L N 4.753 126.076 121.223 0.167 0.000 2.381 372 L HA 0.598 4.939 4.340 0.002 0.000 0.268 372 L C 0.536 177.450 176.870 0.074 0.000 0.997 372 L CA -0.614 54.325 54.840 0.165 0.000 0.818 372 L CB 2.532 44.739 42.059 0.248 0.000 1.310 372 L HN 0.687 nan 8.230 nan 0.000 0.416 373 T N -2.929 111.644 114.554 0.032 0.000 2.788 373 T HA 0.116 4.467 4.350 0.002 0.000 0.287 373 T C 0.939 175.558 174.700 -0.134 0.000 1.007 373 T CA -0.277 61.792 62.100 -0.050 0.000 1.005 373 T CB 1.429 70.277 68.868 -0.035 0.000 1.012 373 T HN 0.741 nan 8.240 nan 0.000 0.530 374 E N 0.353 120.420 120.200 -0.222 0.000 2.070 374 E HA -0.263 4.088 4.350 0.002 0.000 0.197 374 E C 2.009 178.523 176.600 -0.144 0.000 1.004 374 E CA 2.155 58.393 56.400 -0.271 0.000 0.805 374 E CB -0.356 29.199 29.700 -0.242 0.000 0.744 374 E HN 0.858 nan 8.360 nan 0.000 0.451 375 E N -0.336 119.805 120.200 -0.098 0.000 2.110 375 E HA -0.222 4.129 4.350 0.002 0.000 0.193 375 E C 1.911 178.488 176.600 -0.038 0.000 0.988 375 E CA 1.307 57.667 56.400 -0.066 0.000 0.804 375 E CB -0.006 29.652 29.700 -0.070 0.000 0.745 375 E HN 0.445 nan 8.360 nan 0.000 0.458 376 E N -0.026 120.161 120.200 -0.023 0.000 2.072 376 E HA -0.111 4.240 4.350 0.002 0.000 0.190 376 E C 2.237 178.981 176.600 0.241 0.000 0.982 376 E CA 0.460 56.897 56.400 0.061 0.000 0.803 376 E CB 0.015 29.761 29.700 0.075 0.000 0.755 376 E HN 0.141 nan 8.360 nan 0.000 0.453 377 R N 0.591 121.166 120.500 0.125 0.000 2.105 377 R HA -0.098 4.243 4.340 0.002 0.000 0.239 377 R C 2.272 178.628 176.300 0.094 0.000 1.135 377 R CA 0.946 57.118 56.100 0.120 0.000 0.967 377 R CB -0.140 30.150 30.300 -0.016 0.000 0.861 377 R HN -0.075 nan 8.270 nan 0.000 0.442 378 R N 0.475 121.001 120.500 0.044 0.000 2.189 378 R HA 0.017 4.358 4.340 0.002 0.000 0.223 378 R C 1.695 178.037 176.300 0.070 0.000 1.092 378 R CA 1.270 57.388 56.100 0.029 0.000 0.989 378 R CB -0.304 29.991 30.300 -0.008 0.000 0.876 378 R HN 0.227 nan 8.270 nan 0.000 0.457 379 A N -0.448 122.459 122.820 0.144 0.000 2.208 379 A HA 0.160 4.481 4.320 0.002 0.000 0.209 379 A C 0.385 178.131 177.584 0.270 0.000 1.161 379 A CA -0.066 52.098 52.037 0.211 0.000 0.782 379 A CB 0.133 19.268 19.000 0.225 0.000 0.816 379 A HN 0.018 nan 8.150 nan 0.000 0.477 380 V N 1.764 121.795 119.914 0.195 0.000 2.715 380 V HA 0.012 4.133 4.120 0.002 0.000 0.299 380 V C 0.736 176.789 176.094 -0.068 0.000 1.054 380 V CA -0.778 61.511 62.300 -0.018 0.000 1.077 380 V CB 0.579 32.405 31.823 0.004 0.000 0.972 380 V HN 0.559 nan 8.190 nan 0.000 0.484 381 N N 5.615 124.216 118.700 -0.166 0.000 2.386 381 N HA -0.000 4.741 4.740 0.002 0.000 0.273 381 N C -1.627 173.825 175.510 -0.097 0.000 1.331 381 N CA -0.997 51.979 53.050 -0.124 0.000 0.891 381 N CB 1.230 39.617 38.487 -0.166 0.000 1.139 381 N HN 0.351 nan 8.380 nan 0.000 0.487 382 P HA -0.097 nan 4.420 nan 0.000 0.219 382 P C 0.729 177.992 177.300 -0.060 0.000 1.146 382 P CA 1.171 64.240 63.100 -0.050 0.000 0.808 382 P CB 0.148 31.829 31.700 -0.032 0.000 0.779 383 A N -0.472 122.308 122.820 -0.067 0.000 2.125 383 A HA -0.104 4.217 4.320 0.002 0.000 0.219 383 A C 1.896 179.431 177.584 -0.082 0.000 1.156 383 A CA 1.738 53.734 52.037 -0.069 0.000 0.671 383 A CB -1.333 17.624 19.000 -0.072 0.000 0.794 383 A HN 0.262 nan 8.150 nan 0.000 0.459 384 V N -4.415 115.440 119.914 -0.098 0.000 3.621 384 V HA 0.297 4.418 4.120 0.002 0.000 0.285 384 V C 0.428 176.441 176.094 -0.134 0.000 1.346 384 V CA -0.403 61.833 62.300 -0.107 0.000 1.104 384 V CB -0.589 31.172 31.823 -0.102 0.000 0.913 384 V HN 0.277 nan 8.190 nan 0.000 0.432 385 M N 1.939 121.465 119.600 -0.123 0.000 2.200 385 M HA 0.437 4.918 4.480 0.002 0.000 0.355 385 M C -0.113 176.134 176.300 -0.089 0.000 1.283 385 M CA -0.343 54.877 55.300 -0.133 0.000 1.124 385 M CB 0.629 33.176 32.600 -0.089 0.000 1.625 385 M HN 0.414 nan 8.290 nan 0.000 0.463 386 M N 5.318 124.860 119.600 -0.097 0.000 2.228 386 M HA 0.258 4.739 4.480 0.002 0.000 0.351 386 M C -0.561 175.721 176.300 -0.029 0.000 1.233 386 M CA 0.425 55.694 55.300 -0.052 0.000 1.129 386 M CB -0.086 32.472 32.600 -0.069 0.000 1.604 386 M HN 0.795 nan 8.290 nan 0.000 0.457 387 N N 1.583 120.286 118.700 0.005 0.000 3.356 387 N HA 0.277 5.018 4.740 0.002 0.000 0.246 387 N C -0.538 175.011 175.510 0.067 0.000 1.480 387 N CA -0.613 52.445 53.050 0.014 0.000 0.877 387 N CB 0.073 38.567 38.487 0.012 0.000 1.431 387 N HN 0.510 nan 8.380 nan 0.000 0.500 388 D N -0.057 120.383 120.400 0.066 0.000 2.116 388 D HA -0.142 4.499 4.640 0.002 0.000 0.193 388 D C 1.017 177.397 176.300 0.133 0.000 0.998 388 D CA 2.377 56.450 54.000 0.122 0.000 0.836 388 D CB -0.328 40.521 40.800 0.083 0.000 0.951 388 D HN 0.663 nan 8.370 nan 0.000 0.449 389 T N 1.637 116.237 114.554 0.077 0.000 2.652 389 T HA -0.186 4.165 4.350 0.002 0.000 0.267 389 T C 1.999 176.733 174.700 0.056 0.000 1.039 389 T CA 0.780 62.912 62.100 0.054 0.000 1.153 389 T CB -0.460 68.426 68.868 0.030 0.000 0.863 389 T HN 0.030 nan 8.240 nan 0.000 0.428 390 L N 0.404 121.662 121.223 0.058 0.000 2.093 390 L HA 0.079 4.420 4.340 0.002 0.000 0.208 390 L C 2.025 178.954 176.870 0.098 0.000 1.085 390 L CA 1.481 56.349 54.840 0.046 0.000 0.755 390 L CB -0.809 41.263 42.059 0.023 0.000 0.904 390 L HN 0.198 nan 8.230 nan 0.000 0.435 391 F N 0.669 120.611 119.950 -0.015 0.000 2.075 391 F HA -0.240 4.288 4.527 0.002 0.000 0.297 391 F C 2.327 178.133 175.800 0.009 0.000 1.113 391 F CA 1.923 59.920 58.000 -0.005 0.000 1.218 391 F CB -0.593 38.407 39.000 -0.001 0.000 0.984 391 F HN 0.246 nan 8.300 nan 0.000 0.472 392 N N 0.736 119.412 118.700 -0.040 0.000 2.166 392 N HA -0.134 4.607 4.740 0.002 0.000 0.186 392 N C 2.014 177.464 175.510 -0.101 0.000 1.019 392 N CA 1.429 54.393 53.050 -0.143 0.000 0.856 392 N CB -0.865 37.609 38.487 -0.021 0.000 0.993 392 N HN 0.419 nan 8.380 nan 0.000 0.426 393 A N 1.551 124.352 122.820 -0.031 0.000 1.873 393 A HA -0.022 4.299 4.320 0.002 0.000 0.215 393 A C 2.375 179.976 177.584 0.030 0.000 1.186 393 A CA 0.828 52.868 52.037 0.005 0.000 0.616 393 A CB -0.694 18.308 19.000 0.004 0.000 0.823 393 A HN 0.180 nan 8.150 nan 0.000 0.442 394 L N -0.279 120.939 121.223 -0.010 0.000 2.093 394 L HA -0.175 4.166 4.340 0.002 0.000 0.208 394 L C 2.175 179.072 176.870 0.046 0.000 1.085 394 L CA 1.112 55.976 54.840 0.041 0.000 0.755 394 L CB -0.688 41.374 42.059 0.005 0.000 0.904 394 L HN 0.401 nan 8.230 nan 0.000 0.435 395 N N -0.009 118.603 118.700 -0.147 0.000 2.188 395 N HA -0.155 4.586 4.740 0.002 0.000 0.184 395 N C 1.405 176.864 175.510 -0.085 0.000 1.018 395 N CA 1.159 54.088 53.050 -0.202 0.000 0.858 395 N CB -0.185 38.055 38.487 -0.412 0.000 0.989 395 N HN 0.310 nan 8.380 nan 0.000 0.426 396 D N -0.347 120.038 120.400 -0.025 0.000 2.117 396 D HA -0.128 4.513 4.640 0.002 0.000 0.198 396 D C 1.725 178.092 176.300 0.113 0.000 0.982 396 D CA 0.416 54.428 54.000 0.021 0.000 0.828 396 D CB -0.371 40.449 40.800 0.033 0.000 0.967 396 D HN 0.322 nan 8.370 nan 0.000 0.464 397 W N 1.826 123.129 121.300 0.006 0.000 2.335 397 W HA -0.226 4.436 4.660 0.002 0.000 0.311 397 W C 2.058 178.678 176.519 0.168 0.000 1.213 397 W CA 1.308 58.736 57.345 0.138 0.000 1.274 397 W CB -0.449 29.083 29.460 0.120 0.000 1.148 397 W HN -0.232 nan 8.180 nan 0.000 0.498 398 V N 1.032 120.977 119.914 0.052 0.000 2.295 398 V HA -0.323 3.798 4.120 0.002 0.000 0.246 398 V C 2.028 178.027 176.094 -0.159 0.000 1.049 398 V CA 2.426 64.531 62.300 -0.325 0.000 1.024 398 V CB -1.051 30.496 31.823 -0.461 0.000 0.648 398 V HN 0.052 nan 8.190 nan 0.000 0.447 399 D N -0.495 119.840 120.400 -0.108 0.000 2.218 399 D HA -0.149 4.492 4.640 0.002 0.000 0.204 399 D C 2.293 178.517 176.300 -0.128 0.000 0.976 399 D CA 1.041 54.986 54.000 -0.092 0.000 0.853 399 D CB -0.230 40.522 40.800 -0.079 0.000 0.939 399 D HN 0.347 nan 8.370 nan 0.000 0.481 400 R N -0.930 119.456 120.500 -0.191 0.000 2.119 400 R HA -0.073 4.268 4.340 0.002 0.000 0.222 400 R C 1.205 177.118 176.300 -0.645 0.000 1.088 400 R CA 0.953 56.798 56.100 -0.426 0.000 0.984 400 R CB 0.148 30.125 30.300 -0.539 0.000 0.884 400 R HN 0.251 nan 8.270 nan 0.000 0.447 401 Y N -2.441 117.746 120.300 -0.189 0.000 2.467 401 Y HA 0.207 4.758 4.550 0.002 0.000 0.259 401 Y C -0.217 175.591 175.900 -0.154 0.000 1.084 401 Y CA -0.645 57.324 58.100 -0.218 0.000 1.275 401 Y CB 0.363 38.567 38.460 -0.427 0.000 1.208 401 Y HN -0.141 nan 8.280 nan 0.000 0.511 402 Y N 1.963 122.161 120.300 -0.169 0.000 2.309 402 Y HA 0.362 4.913 4.550 0.002 0.000 0.327 402 Y C 0.617 176.465 175.900 -0.086 0.000 1.172 402 Y CA -1.238 56.785 58.100 -0.128 0.000 1.280 402 Y CB 0.462 38.848 38.460 -0.123 0.000 1.234 402 Y HN -0.147 nan 8.280 nan 0.000 0.512 403 R N 1.388 121.912 120.500 0.040 0.000 2.532 403 R HA 0.136 4.477 4.340 0.002 0.000 0.272 403 R C 0.075 176.408 176.300 0.056 0.000 1.032 403 R CA -0.656 55.456 56.100 0.020 0.000 1.089 403 R CB 0.715 31.003 30.300 -0.018 0.000 1.098 403 R HN 0.642 nan 8.270 nan 0.000 0.526 404 D N 0.969 121.392 120.400 0.038 0.000 2.249 404 D HA -0.029 4.612 4.640 0.002 0.000 0.205 404 D C 0.199 176.531 176.300 0.055 0.000 0.962 404 D CA 1.203 55.231 54.000 0.047 0.000 0.860 404 D CB 0.421 41.239 40.800 0.030 0.000 0.955 404 D HN 0.354 nan 8.370 nan 0.000 0.505 405 R N -0.096 120.429 120.500 0.040 0.000 2.740 405 R HA 0.702 5.043 4.340 0.002 0.000 0.273 405 R C -1.480 174.833 176.300 0.022 0.000 0.998 405 R CA -0.910 55.215 56.100 0.042 0.000 0.900 405 R CB 1.959 32.281 30.300 0.037 0.000 1.223 405 R HN -0.053 nan 8.270 nan 0.000 0.466 406 L N 0.240 121.477 121.223 0.022 0.000 2.591 406 L HA 0.565 4.906 4.340 0.002 0.000 0.257 406 L C -1.369 175.505 176.870 0.006 0.000 0.935 406 L CA 0.185 55.020 54.840 -0.007 0.000 0.873 406 L CB 2.566 44.607 42.059 -0.031 0.000 1.397 406 L HN 1.059 nan 8.230 nan 0.000 0.414 407 T N 0.405 114.954 114.554 -0.009 0.000 2.883 407 T HA 0.699 5.050 4.350 0.002 0.000 0.301 407 T C 0.839 175.515 174.700 -0.040 0.000 1.158 407 T CA -0.192 61.922 62.100 0.024 0.000 1.007 407 T CB 1.525 70.428 68.868 0.059 0.000 1.186 407 T HN 0.913 nan 8.240 nan 0.000 0.499 408 A N 1.133 123.953 122.820 -0.000 0.000 1.958 408 A HA 0.062 4.383 4.320 0.002 0.000 0.221 408 A C 2.544 180.091 177.584 -0.061 0.000 1.178 408 A CA 2.527 54.521 52.037 -0.073 0.000 0.642 408 A CB -1.543 17.546 19.000 0.148 0.000 0.816 408 A HN 1.485 nan 8.150 nan 0.000 0.453 409 A N -0.074 122.740 122.820 -0.010 0.000 1.978 409 A HA -0.188 4.133 4.320 0.002 0.000 0.220 409 A C 1.637 179.193 177.584 -0.046 0.000 1.170 409 A CA 1.785 53.809 52.037 -0.023 0.000 0.636 409 A CB -0.502 18.493 19.000 -0.009 0.000 0.810 409 A HN 0.538 nan 8.150 nan 0.000 0.448 410 D N 0.055 120.421 120.400 -0.058 0.000 2.312 410 D HA -0.035 4.606 4.640 0.002 0.000 0.211 410 D C 1.659 177.904 176.300 -0.092 0.000 0.964 410 D CA 0.482 54.442 54.000 -0.067 0.000 0.877 410 D CB -0.296 40.468 40.800 -0.061 0.000 0.924 410 D HN 0.475 nan 8.370 nan 0.000 0.515 411 L N 0.653 121.799 121.223 -0.127 0.000 2.447 411 L HA -0.118 4.223 4.340 0.002 0.000 0.225 411 L C 2.169 178.978 176.870 -0.101 0.000 1.148 411 L CA 0.620 55.374 54.840 -0.144 0.000 0.808 411 L CB -0.269 41.664 42.059 -0.210 0.000 0.928 411 L HN -0.009 nan 8.230 nan 0.000 0.448 412 A N -1.758 121.013 122.820 -0.081 0.000 2.195 412 A HA -0.045 4.276 4.320 0.002 0.000 0.210 412 A C 0.794 178.340 177.584 -0.063 0.000 1.165 412 A CA -0.161 51.835 52.037 -0.069 0.000 0.806 412 A CB -0.141 18.824 19.000 -0.058 0.000 0.847 412 A HN 0.217 nan 8.150 nan 0.000 0.482 413 D N 0.891 121.252 120.400 -0.064 0.000 2.402 413 D HA 0.081 4.722 4.640 0.002 0.000 0.268 413 D C -1.596 174.667 176.300 -0.062 0.000 1.294 413 D CA -1.496 52.469 54.000 -0.058 0.000 0.945 413 D CB 0.935 41.700 40.800 -0.059 0.000 1.112 413 D HN 0.067 nan 8.370 nan 0.000 0.517 414 P HA -0.164 nan 4.420 nan 0.000 0.218 414 P C 1.271 178.535 177.300 -0.060 0.000 1.146 414 P CA 0.928 63.994 63.100 -0.056 0.000 0.813 414 P CB 0.322 31.996 31.700 -0.044 0.000 0.778 415 Q N -0.922 118.846 119.800 -0.055 0.000 2.084 415 Q HA -0.136 4.205 4.340 0.002 0.000 0.202 415 Q C 2.129 178.089 176.000 -0.068 0.000 0.978 415 Q CA 1.063 56.834 55.803 -0.053 0.000 0.844 415 Q CB -1.360 27.352 28.738 -0.045 0.000 0.898 415 Q HN 0.264 nan 8.270 nan 0.000 0.426 416 L N 0.709 121.885 121.223 -0.078 0.000 2.042 416 L HA -0.167 4.174 4.340 0.002 0.000 0.210 416 L C 2.140 178.938 176.870 -0.120 0.000 1.076 416 L CA 1.402 56.182 54.840 -0.100 0.000 0.749 416 L CB -0.909 41.089 42.059 -0.103 0.000 0.893 416 L HN 0.211 nan 8.230 nan 0.000 0.432 417 L N -0.272 120.883 121.223 -0.114 0.000 2.012 417 L HA -0.225 4.116 4.340 0.002 0.000 0.210 417 L C 2.725 179.495 176.870 -0.166 0.000 1.073 417 L CA 1.932 56.688 54.840 -0.139 0.000 0.748 417 L CB -0.718 41.270 42.059 -0.118 0.000 0.891 417 L HN 0.311 nan 8.230 nan 0.000 0.431 418 R N -0.472 119.954 120.500 -0.122 0.000 2.070 418 R HA -0.177 4.164 4.340 0.002 0.000 0.232 418 R C 2.203 178.440 176.300 -0.107 0.000 1.138 418 R CA 1.997 58.033 56.100 -0.107 0.000 0.936 418 R CB -0.266 29.998 30.300 -0.059 0.000 0.839 418 R HN 0.520 nan 8.270 nan 0.000 0.429 419 E N -1.125 119.031 120.200 -0.074 0.000 2.097 419 E HA -0.203 4.148 4.350 0.002 0.000 0.196 419 E C 1.912 178.423 176.600 -0.149 0.000 1.000 419 E CA 1.287 57.670 56.400 -0.028 0.000 0.804 419 E CB -0.273 29.413 29.700 -0.023 0.000 0.740 419 E HN 0.569 nan 8.360 nan 0.000 0.454 420 G N 1.183 109.854 108.800 -0.215 0.000 2.402 420 G HA2 -0.246 3.715 3.960 0.002 0.000 0.216 420 G HA3 -0.246 3.715 3.960 0.002 0.000 0.216 420 G C 1.572 176.267 174.900 -0.343 0.000 1.162 420 G CA 0.309 45.238 45.100 -0.284 0.000 0.777 420 G HN 0.006 nan 8.290 nan 0.000 0.539 421 R N 0.581 120.825 120.500 -0.427 0.000 2.073 421 R HA -0.061 4.280 4.340 0.002 0.000 0.234 421 R C 2.347 178.496 176.300 -0.252 0.000 1.134 421 R CA 1.483 57.173 56.100 -0.683 0.000 0.952 421 R CB -0.995 28.892 30.300 -0.688 0.000 0.850 421 R HN 0.643 nan 8.270 nan 0.000 0.433 422 E N 0.553 120.654 120.200 -0.164 0.000 2.077 422 E HA -0.141 4.210 4.350 0.002 0.000 0.193 422 E C 1.909 178.372 176.600 -0.229 0.000 0.989 422 E CA 1.216 57.572 56.400 -0.074 0.000 0.800 422 E CB -0.054 29.655 29.700 0.016 0.000 0.746 422 E HN 0.284 nan 8.360 nan 0.000 0.452 423 A N 1.313 123.798 122.820 -0.558 0.000 1.883 423 A HA -0.192 4.129 4.320 0.002 0.000 0.217 423 A C 2.261 179.945 177.584 0.167 0.000 1.186 423 A CA 1.509 53.120 52.037 -0.711 0.000 0.624 423 A CB -0.811 17.696 19.000 -0.822 0.000 0.822 423 A HN 0.357 nan 8.150 nan 0.000 0.444 424 L N -0.846 120.442 121.223 0.109 0.000 2.083 424 L HA -0.187 4.154 4.340 0.002 0.000 0.209 424 L C 2.233 179.249 176.870 0.244 0.000 1.083 424 L CA 1.519 56.460 54.840 0.168 0.000 0.752 424 L CB -0.807 41.226 42.059 -0.043 0.000 0.899 424 L HN 0.322 nan 8.230 nan 0.000 0.433 425 D N -0.067 120.506 120.400 0.288 0.000 2.104 425 D HA -0.162 4.479 4.640 0.002 0.000 0.194 425 D C 2.288 178.671 176.300 0.139 0.000 0.994 425 D CA 1.159 55.293 54.000 0.223 0.000 0.830 425 D CB -0.144 40.788 40.800 0.220 0.000 0.959 425 D HN 0.033 nan 8.370 nan 0.000 0.452 426 V N 0.774 120.775 119.914 0.145 0.000 2.295 426 V HA -0.221 3.900 4.120 0.002 0.000 0.246 426 V C 2.533 178.644 176.094 0.028 0.000 1.049 426 V CA 1.189 63.574 62.300 0.141 0.000 1.024 426 V CB -0.466 31.526 31.823 0.282 0.000 0.648 426 V HN 0.161 nan 8.190 nan 0.000 0.447 427 L N 0.117 121.312 121.223 -0.047 0.000 2.046 427 L HA -0.150 4.191 4.340 0.002 0.000 0.208 427 L C 2.550 179.337 176.870 -0.140 0.000 1.077 427 L CA 2.173 56.807 54.840 -0.344 0.000 0.747 427 L CB -0.583 41.155 42.059 -0.535 0.000 0.896 427 L HN 0.286 nan 8.230 nan 0.000 0.432 428 S N -0.763 114.945 115.700 0.013 0.000 2.370 428 S HA -0.234 4.237 4.470 0.002 0.000 0.226 428 S C 1.861 176.441 174.600 -0.034 0.000 1.033 428 S CA 1.472 59.683 58.200 0.018 0.000 1.011 428 S CB -0.326 62.913 63.200 0.065 0.000 0.852 428 S HN 0.565 nan 8.310 nan 0.000 0.457 429 Q N 0.428 120.216 119.800 -0.021 0.000 2.046 429 Q HA 0.017 4.358 4.340 0.002 0.000 0.200 429 Q C 2.336 178.309 176.000 -0.046 0.000 0.975 429 Q CA 0.766 56.555 55.803 -0.023 0.000 0.836 429 Q CB -0.453 28.288 28.738 0.005 0.000 0.896 429 Q HN 0.463 nan 8.270 nan 0.000 0.428 430 L N 0.741 121.921 121.223 -0.072 0.000 2.013 430 L HA -0.184 4.157 4.340 0.002 0.000 0.212 430 L C 1.925 178.735 176.870 -0.100 0.000 1.073 430 L CA 1.299 56.082 54.840 -0.094 0.000 0.753 430 L CB -0.151 41.806 42.059 -0.169 0.000 0.890 430 L HN 0.251 nan 8.230 nan 0.000 0.432 431 L N -0.463 120.687 121.223 -0.121 0.000 2.612 431 L HA 0.033 4.374 4.340 0.002 0.000 0.230 431 L C 0.479 177.293 176.870 -0.093 0.000 1.140 431 L CA -0.151 54.622 54.840 -0.111 0.000 0.896 431 L CB -0.664 41.319 42.059 -0.127 0.000 1.065 431 L HN 0.423 nan 8.230 nan 0.000 0.447 432 N N 1.000 119.654 118.700 -0.077 0.000 2.688 432 N HA -0.226 4.515 4.740 0.002 0.000 0.258 432 N C 0.276 175.736 175.510 -0.082 0.000 1.016 432 N CA 0.477 53.486 53.050 -0.068 0.000 0.747 432 N CB -0.890 37.561 38.487 -0.059 0.000 0.895 432 N HN 0.372 nan 8.380 nan 0.000 0.543 433 L N -0.587 120.581 121.223 -0.092 0.000 2.638 433 L HA 0.361 4.702 4.340 0.002 0.000 0.232 433 L C 1.684 178.482 176.870 -0.120 0.000 1.099 433 L CA 0.297 55.065 54.840 -0.120 0.000 0.883 433 L CB -0.214 41.752 42.059 -0.155 0.000 1.136 433 L HN 0.584 nan 8.230 nan 0.000 0.492 434 G N 0.821 109.566 108.800 -0.092 0.000 2.645 434 G HA2 -0.288 3.673 3.960 0.002 0.000 0.239 434 G HA3 -0.288 3.673 3.960 0.002 0.000 0.239 434 G C 0.111 174.945 174.900 -0.110 0.000 1.331 434 G CA -0.101 44.947 45.100 -0.086 0.000 0.890 434 G HN 0.340 nan 8.290 nan 0.000 0.572 435 S N -0.473 115.159 115.700 -0.112 0.000 3.900 435 S HA 0.395 4.866 4.470 0.002 0.000 0.248 435 S C 1.087 175.577 174.600 -0.183 0.000 1.310 435 S CA 0.373 58.486 58.200 -0.144 0.000 0.915 435 S CB 1.226 64.352 63.200 -0.123 0.000 1.588 435 S HN 1.750 nan 8.310 nan 0.000 0.472 436 V N 2.260 122.014 119.914 -0.266 0.000 3.052 436 V HA 0.213 4.334 4.120 0.002 0.000 0.254 436 V C -0.312 175.515 176.094 -0.446 0.000 1.100 436 V CA 0.487 62.560 62.300 -0.378 0.000 1.112 436 V CB -0.381 31.136 31.823 -0.509 0.000 0.738 436 V HN 0.795 nan 8.190 nan 0.000 0.469 437 Y N 0.404 120.594 120.300 -0.184 0.000 2.310 437 Y HA 0.346 4.897 4.550 0.002 0.000 0.326 437 Y C -1.093 174.724 175.900 -0.139 0.000 1.151 437 Y CA -2.047 55.974 58.100 -0.131 0.000 1.195 437 Y CB 0.488 38.896 38.460 -0.087 0.000 1.210 437 Y HN 0.024 nan 8.280 nan 0.000 0.483 438 P HA -0.268 nan 4.420 nan 0.000 0.216 438 P C 1.332 178.705 177.300 0.121 0.000 1.154 438 P CA 1.759 64.966 63.100 0.178 0.000 0.865 438 P CB -0.114 31.787 31.700 0.335 0.000 0.789 439 F N -0.341 119.684 119.950 0.125 0.000 2.546 439 F HA -0.052 4.476 4.527 0.002 0.000 0.298 439 F C 1.495 177.329 175.800 0.058 0.000 1.120 439 F CA 0.861 58.894 58.000 0.055 0.000 1.456 439 F CB -1.359 37.660 39.000 0.033 0.000 1.088 439 F HN -0.035 nan 8.300 nan 0.000 0.572 440 Q N 0.411 119.863 119.800 -0.579 0.000 2.392 440 Q HA 0.189 4.530 4.340 0.002 0.000 0.203 440 Q C 0.578 176.476 176.000 -0.169 0.000 0.917 440 Q CA 0.057 55.590 55.803 -0.450 0.000 0.939 440 Q CB 0.277 28.694 28.738 -0.535 0.000 1.063 440 Q HN 0.436 nan 8.270 nan 0.000 0.516 441 R N 0.000 120.439 120.500 -0.101 0.000 2.786 441 R HA 0.000 4.341 4.340 0.002 0.000 0.208 441 R CA 0.000 56.071 56.100 -0.048 0.000 0.921 441 R CB 0.000 30.279 30.300 -0.034 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535