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 1fny_1_A DATA FIRST_RESID 1 DATA SEQUENCE TGSLSFSFPK FAPNQPYLIN QGDALVTSTG VLQLTNVVNG VPSSKSLGRA DATA SEQUENCE LYAAPFQIWD STTGNVASFV TSFTFIIQAP NPATTADGLA FFLAPVDTQP DATA SEQUENCE LDLGGMLGIF KXXXFNKSNQ IVAVEFDTFS NGDWDPKGRH LGINVNSIES DATA SEQUENCE IKTVPWNWTN GEVANVFISY EASTKSLTAS LVYPSLETSF IIDAIVDVKI DATA SEQUENCE VLPEWVRFGF SATTGIDKGY VQTNDVLSWS FESNLPG 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.720 174.700 0.034 0.000 1.109 1 T CA 0.000 62.108 62.100 0.014 0.000 1.349 1 T CB 0.000 68.889 68.868 0.036 0.000 0.612 2 G N 0.975 109.796 108.800 0.035 0.000 2.369 2 G HA2 0.552 4.512 3.960 0.000 0.000 0.293 2 G HA3 0.552 4.512 3.960 0.000 0.000 0.293 2 G C -1.227 173.710 174.900 0.062 0.000 1.301 2 G CA 0.179 45.318 45.100 0.065 0.000 0.913 2 G HN 1.714 nan 8.290 nan 0.000 0.540 3 S N -1.662 114.088 115.700 0.084 0.000 2.625 3 S HA 0.899 5.369 4.470 0.000 0.000 0.271 3 S C -1.605 173.055 174.600 0.100 0.000 1.161 3 S CA -0.439 57.799 58.200 0.063 0.000 0.820 3 S CB 2.175 65.386 63.200 0.018 0.000 1.137 3 S HN 2.343 nan 8.310 nan 0.000 0.470 4 L N 0.921 122.177 121.223 0.055 0.000 2.549 4 L HA 0.857 5.197 4.340 0.000 0.000 0.259 4 L C -1.169 175.692 176.870 -0.016 0.000 0.934 4 L CA 0.397 55.303 54.840 0.109 0.000 0.865 4 L CB 1.863 44.074 42.059 0.254 0.000 1.352 4 L HN 1.382 nan 8.230 nan 0.000 0.410 5 S N 2.933 118.623 115.700 -0.018 0.000 2.550 5 S HA 0.959 5.429 4.470 0.000 0.000 0.270 5 S C -1.106 173.427 174.600 -0.111 0.000 1.145 5 S CA -0.400 57.689 58.200 -0.184 0.000 0.852 5 S CB 1.782 64.869 63.200 -0.189 0.000 1.119 5 S HN 1.482 nan 8.310 nan 0.000 0.465 6 F N -1.695 118.125 119.950 -0.217 0.000 2.807 6 F HA 0.883 5.410 4.527 0.000 0.000 0.316 6 F C -0.999 174.535 175.800 -0.442 0.000 1.162 6 F CA -0.690 57.071 58.000 -0.398 0.000 0.910 6 F CB 1.114 39.768 39.000 -0.577 0.000 1.314 6 F HN 0.854 nan 8.300 nan 0.000 0.454 7 S N 0.740 116.290 115.700 -0.249 0.000 2.566 7 S HA 0.779 5.249 4.470 0.000 0.000 0.273 7 S C -2.301 171.978 174.600 -0.535 0.000 1.157 7 S CA -0.392 57.678 58.200 -0.217 0.000 0.938 7 S CB 0.630 63.752 63.200 -0.131 0.000 1.087 7 S HN 0.595 nan 8.310 nan 0.000 0.474 8 F N 4.934 124.934 119.950 0.083 0.000 2.500 8 F HA 0.437 4.965 4.527 0.000 0.000 0.349 8 F C -2.003 173.722 175.800 -0.125 0.000 1.127 8 F CA -1.817 56.126 58.000 -0.094 0.000 0.998 8 F CB 2.000 40.885 39.000 -0.192 0.000 1.237 8 F HN 0.350 nan 8.300 nan 0.000 0.439 9 P HA -0.084 nan 4.420 nan 0.000 0.221 9 P C -0.519 176.766 177.300 -0.026 0.000 1.150 9 P CA 1.247 64.362 63.100 0.025 0.000 0.800 9 P CB 0.267 31.982 31.700 0.025 0.000 0.787 10 K N -2.865 117.474 120.400 -0.101 0.000 2.571 10 K HA 0.395 4.715 4.320 0.000 0.000 0.289 10 K C -1.499 174.938 176.600 -0.270 0.000 1.028 10 K CA -0.875 55.321 56.287 -0.152 0.000 0.895 10 K CB 0.448 32.965 32.500 0.028 0.000 1.534 10 K HN -0.298 nan 8.250 nan 0.000 0.421 11 F N 0.951 121.021 119.950 0.200 0.000 2.411 11 F HA 0.519 5.046 4.527 0.000 0.000 0.352 11 F C 0.222 176.132 175.800 0.183 0.000 1.123 11 F CA -0.768 57.356 58.000 0.208 0.000 1.044 11 F CB 2.103 41.194 39.000 0.151 0.000 1.135 11 F HN 0.697 nan 8.300 nan 0.000 0.461 12 A N 5.814 128.881 122.820 0.411 0.000 2.362 12 A HA 0.569 4.889 4.320 0.000 0.000 0.276 12 A C -2.352 175.362 177.584 0.216 0.000 1.153 12 A CA -1.479 50.728 52.037 0.283 0.000 0.813 12 A CB -0.228 18.941 19.000 0.281 0.000 1.081 12 A HN 0.438 nan 8.150 nan 0.000 0.507 13 P HA 0.166 nan 4.420 nan 0.000 0.276 13 P C -0.584 176.725 177.300 0.015 0.000 1.244 13 P CA -0.298 62.825 63.100 0.039 0.000 0.801 13 P CB 0.522 32.245 31.700 0.037 0.000 1.006 14 N N -1.135 117.542 118.700 -0.039 0.000 2.747 14 N HA -0.137 4.604 4.740 0.000 0.000 0.249 14 N C -0.587 174.903 175.510 -0.032 0.000 1.107 14 N CA 0.897 53.923 53.050 -0.040 0.000 0.707 14 N CB -1.244 37.237 38.487 -0.010 0.000 1.054 14 N HN 0.583 nan 8.380 nan 0.000 0.555 15 Q N -0.154 119.603 119.800 -0.072 0.000 2.321 15 Q HA 0.338 4.678 4.340 0.000 0.000 0.270 15 Q C -1.796 174.095 176.000 -0.183 0.000 1.032 15 Q CA -1.389 54.404 55.803 -0.016 0.000 0.784 15 Q CB 1.796 30.666 28.738 0.219 0.000 1.264 15 Q HN 0.020 nan 8.270 nan 0.000 0.448 16 P HA -0.080 nan 4.420 nan 0.000 0.288 16 P C 0.249 177.460 177.300 -0.150 0.000 1.448 16 P CA 0.588 63.603 63.100 -0.142 0.000 0.764 16 P CB -0.449 31.204 31.700 -0.078 0.000 1.472 17 Y N -1.780 118.436 120.300 -0.140 0.000 2.511 17 Y HA 0.378 4.928 4.550 0.000 0.000 0.279 17 Y C 0.540 176.263 175.900 -0.296 0.000 1.157 17 Y CA -0.696 57.272 58.100 -0.219 0.000 1.300 17 Y CB -0.412 38.015 38.460 -0.055 0.000 1.052 17 Y HN -0.198 nan 8.280 nan 0.000 0.529 18 L N 1.536 122.422 121.223 -0.561 0.000 2.354 18 L HA 0.504 4.845 4.340 0.000 0.000 0.269 18 L C -0.850 175.839 176.870 -0.302 0.000 1.005 18 L CA -1.056 53.550 54.840 -0.390 0.000 0.819 18 L CB 2.771 44.548 42.059 -0.469 0.000 1.311 18 L HN -0.034 nan 8.230 nan 0.000 0.423 19 I N 2.383 122.818 120.570 -0.225 0.000 2.330 19 I HA 0.237 4.407 4.170 0.000 0.000 0.286 19 I C -0.286 175.737 176.117 -0.157 0.000 1.025 19 I CA -0.179 61.012 61.300 -0.182 0.000 1.197 19 I CB 1.010 38.913 38.000 -0.161 0.000 1.358 19 I HN 0.599 nan 8.210 nan 0.000 0.467 20 N N 6.575 125.183 118.700 -0.153 0.000 2.472 20 N HA 0.339 5.079 4.740 0.000 0.000 0.277 20 N C -0.866 174.585 175.510 -0.099 0.000 1.081 20 N CA -0.488 52.483 53.050 -0.132 0.000 0.973 20 N CB 1.022 39.427 38.487 -0.138 0.000 1.105 20 N HN 0.546 nan 8.380 nan 0.000 0.470 21 Q N 0.840 120.591 119.800 -0.083 0.000 2.413 21 Q HA 0.486 4.826 4.340 0.000 0.000 0.276 21 Q C 0.454 176.416 176.000 -0.063 0.000 1.099 21 Q CA -0.845 54.918 55.803 -0.067 0.000 0.814 21 Q CB 2.421 31.128 28.738 -0.053 0.000 1.379 21 Q HN 0.759 nan 8.270 nan 0.000 0.436 22 G N 1.923 110.688 108.800 -0.058 0.000 2.574 22 G HA2 -0.314 3.646 3.960 0.000 0.000 0.286 22 G HA3 -0.314 3.646 3.960 0.000 0.000 0.286 22 G C -0.028 174.840 174.900 -0.053 0.000 1.212 22 G CA 0.356 45.424 45.100 -0.054 0.000 0.979 22 G HN 0.759 nan 8.290 nan 0.000 0.557 23 D N 1.841 122.211 120.400 -0.050 0.000 2.349 23 D HA 0.378 5.018 4.640 0.000 0.000 0.224 23 D C 1.591 177.858 176.300 -0.055 0.000 1.029 23 D CA 0.954 54.926 54.000 -0.046 0.000 0.879 23 D CB -0.345 40.433 40.800 -0.037 0.000 0.906 23 D HN 0.899 nan 8.370 nan 0.000 0.528 24 A N 0.955 123.735 122.820 -0.067 0.000 2.531 24 A HA 0.357 4.677 4.320 0.000 0.000 0.236 24 A C 0.142 177.671 177.584 -0.092 0.000 1.062 24 A CA 0.193 52.179 52.037 -0.086 0.000 0.760 24 A CB -0.159 18.779 19.000 -0.102 0.000 0.995 24 A HN 0.291 nan 8.150 nan 0.000 0.501 25 L N -0.196 120.969 121.223 -0.097 0.000 2.671 25 L HA 0.795 5.135 4.340 0.000 0.000 0.259 25 L C -0.957 175.854 176.870 -0.098 0.000 1.021 25 L CA -0.904 53.882 54.840 -0.091 0.000 0.871 25 L CB 1.510 43.534 42.059 -0.059 0.000 1.472 25 L HN 0.313 nan 8.230 nan 0.000 0.410 26 V N 0.695 120.560 119.914 -0.081 0.000 2.384 26 V HA 0.636 4.756 4.120 0.000 0.000 0.287 26 V C 0.598 176.693 176.094 0.001 0.000 1.020 26 V CA 0.134 62.406 62.300 -0.047 0.000 0.850 26 V CB 1.530 33.329 31.823 -0.041 0.000 0.987 26 V HN 1.073 nan 8.190 nan 0.000 0.436 27 T N 1.313 115.884 114.554 0.028 0.000 2.766 27 T HA 0.105 4.455 4.350 0.000 0.000 0.295 27 T C 1.474 176.207 174.700 0.054 0.000 1.024 27 T CA 0.193 62.316 62.100 0.038 0.000 1.018 27 T CB 1.043 69.940 68.868 0.048 0.000 1.002 27 T HN 0.832 nan 8.240 nan 0.000 0.532 28 S N -0.183 115.545 115.700 0.046 0.000 2.447 28 S HA -0.119 4.351 4.470 0.000 0.000 0.233 28 S C 1.852 176.491 174.600 0.064 0.000 1.006 28 S CA 1.040 59.270 58.200 0.050 0.000 0.957 28 S CB -1.388 61.835 63.200 0.038 0.000 0.773 28 S HN 1.022 nan 8.310 nan 0.000 0.507 29 T N -2.632 111.964 114.554 0.069 0.000 3.129 29 T HA 0.476 4.826 4.350 0.000 0.000 0.251 29 T C 1.488 176.252 174.700 0.107 0.000 1.117 29 T CA 0.469 62.616 62.100 0.078 0.000 1.034 29 T CB -0.302 68.609 68.868 0.072 0.000 0.968 29 T HN 1.203 nan 8.240 nan 0.000 0.526 30 G N 0.470 109.348 108.800 0.131 0.000 2.132 30 G HA2 -0.181 3.779 3.960 0.000 0.000 0.234 30 G HA3 -0.181 3.779 3.960 0.000 0.000 0.234 30 G C -0.098 174.972 174.900 0.283 0.000 0.989 30 G CA -0.162 45.056 45.100 0.197 0.000 0.676 30 G HN 0.666 nan 8.290 nan 0.000 0.522 31 V N 1.012 121.052 119.914 0.210 0.000 2.481 31 V HA 0.617 4.737 4.120 0.000 0.000 0.286 31 V C 0.575 176.734 176.094 0.108 0.000 1.042 31 V CA -0.805 61.623 62.300 0.213 0.000 0.928 31 V CB 1.712 33.616 31.823 0.134 0.000 0.986 31 V HN 0.431 nan 8.190 nan 0.000 0.462 32 L N 5.120 126.350 121.223 0.012 0.000 2.334 32 L HA 0.339 4.679 4.340 0.000 0.000 0.286 32 L C 0.267 177.043 176.870 -0.157 0.000 1.108 32 L CA 0.522 55.201 54.840 -0.267 0.000 0.875 32 L CB 0.476 42.084 42.059 -0.752 0.000 1.246 32 L HN 0.786 nan 8.230 nan 0.000 0.439 33 Q N 4.181 123.922 119.800 -0.097 0.000 2.423 33 Q HA 0.183 4.523 4.340 0.000 0.000 0.235 33 Q C 0.524 176.476 176.000 -0.080 0.000 1.100 33 Q CA -0.177 55.592 55.803 -0.057 0.000 0.908 33 Q CB 0.666 29.390 28.738 -0.024 0.000 1.312 33 Q HN 0.893 nan 8.270 nan 0.000 0.497 34 L N 1.986 123.156 121.223 -0.090 0.000 2.027 34 L HA -0.059 4.282 4.340 0.000 0.000 0.206 34 L C 1.223 178.061 176.870 -0.054 0.000 1.074 34 L CA 1.116 55.905 54.840 -0.086 0.000 0.745 34 L CB -0.307 41.697 42.059 -0.091 0.000 0.898 34 L HN 0.595 nan 8.230 nan 0.000 0.433 35 T N -3.218 111.316 114.554 -0.033 0.000 2.918 35 T HA 0.284 4.635 4.350 0.000 0.000 0.286 35 T C -0.177 174.515 174.700 -0.012 0.000 1.026 35 T CA -0.845 61.243 62.100 -0.021 0.000 1.031 35 T CB 1.298 70.160 68.868 -0.010 0.000 1.046 35 T HN 0.046 nan 8.240 nan 0.000 0.479 36 N N 0.168 118.860 118.700 -0.013 0.000 2.412 36 N HA 0.382 5.122 4.740 0.000 0.000 0.254 36 N C -0.979 174.533 175.510 0.003 0.000 1.232 36 N CA -0.230 52.815 53.050 -0.008 0.000 0.880 36 N CB 0.478 38.959 38.487 -0.010 0.000 1.076 36 N HN 0.375 nan 8.380 nan 0.000 0.458 37 V N 2.676 122.594 119.914 0.005 0.000 2.577 37 V HA 0.275 4.395 4.120 0.000 0.000 0.303 37 V C -0.439 175.662 176.094 0.010 0.000 1.042 37 V CA -0.772 61.536 62.300 0.013 0.000 0.872 37 V CB 1.917 33.753 31.823 0.021 0.000 0.998 37 V HN 0.290 nan 8.190 nan 0.000 0.423 38 V N 4.479 124.400 119.914 0.010 0.000 2.326 38 V HA 0.443 4.563 4.120 0.000 0.000 0.281 38 V C 0.584 176.684 176.094 0.011 0.000 1.015 38 V CA -0.510 61.795 62.300 0.008 0.000 0.823 38 V CB 0.837 32.663 31.823 0.005 0.000 1.009 38 V HN 1.058 nan 8.190 nan 0.000 0.436 39 N N 4.195 122.902 118.700 0.011 0.000 2.740 39 N HA -0.203 4.537 4.740 0.000 0.000 0.248 39 N C 1.066 176.587 175.510 0.017 0.000 1.062 39 N CA 1.779 54.837 53.050 0.013 0.000 0.704 39 N CB -1.011 37.482 38.487 0.010 0.000 0.968 39 N HN 1.477 nan 8.380 nan 0.000 0.547 40 G N -2.914 105.899 108.800 0.021 0.000 2.284 40 G HA2 -0.291 3.669 3.960 0.000 0.000 0.247 40 G HA3 -0.291 3.669 3.960 0.000 0.000 0.247 40 G C 0.048 174.966 174.900 0.030 0.000 1.012 40 G CA 0.249 45.365 45.100 0.027 0.000 0.618 40 G HN 0.898 nan 8.290 nan 0.000 0.521 41 V N 4.000 123.928 119.914 0.023 0.000 2.406 41 V HA 0.467 4.587 4.120 0.000 0.000 0.272 41 V C -1.317 174.790 176.094 0.022 0.000 1.043 41 V CA -1.424 60.890 62.300 0.023 0.000 0.915 41 V CB 1.393 33.225 31.823 0.015 0.000 0.988 41 V HN 0.284 nan 8.190 nan 0.000 0.466 42 P HA 0.134 nan 4.420 nan 0.000 0.268 42 P C -0.246 177.062 177.300 0.014 0.000 1.204 42 P CA 0.066 63.180 63.100 0.024 0.000 0.768 42 P CB 0.844 32.565 31.700 0.034 0.000 0.842 43 S N 1.406 117.111 115.700 0.008 0.000 2.610 43 S HA 0.363 4.833 4.470 0.000 0.000 0.273 43 S C 0.671 175.271 174.600 0.001 0.000 1.274 43 S CA -0.523 57.678 58.200 0.003 0.000 1.023 43 S CB 0.529 63.728 63.200 -0.001 0.000 0.962 43 S HN 0.632 nan 8.310 nan 0.000 0.523 44 S N 0.980 116.680 115.700 0.000 0.000 2.669 44 S HA 0.455 4.925 4.470 0.000 0.000 0.270 44 S C -0.130 174.465 174.600 -0.009 0.000 1.225 44 S CA -0.894 57.305 58.200 -0.002 0.000 0.991 44 S CB -0.053 63.149 63.200 0.003 0.000 0.987 44 S HN 0.657 nan 8.310 nan 0.000 0.552 45 K N -0.875 119.516 120.400 -0.016 0.000 3.035 45 K HA -0.153 4.167 4.320 0.000 0.000 0.262 45 K C -0.155 176.433 176.600 -0.019 0.000 1.024 45 K CA 0.808 57.083 56.287 -0.019 0.000 0.748 45 K CB -1.959 30.530 32.500 -0.017 0.000 1.247 45 K HN 0.598 nan 8.250 nan 0.000 0.482 46 S N 0.390 116.079 115.700 -0.018 0.000 2.608 46 S HA 0.761 5.231 4.470 0.000 0.000 0.291 46 S C -0.700 173.884 174.600 -0.027 0.000 1.146 46 S CA -0.862 57.326 58.200 -0.021 0.000 1.043 46 S CB 1.231 64.422 63.200 -0.016 0.000 1.037 46 S HN 0.341 nan 8.310 nan 0.000 0.520 47 L N 3.313 124.516 121.223 -0.034 0.000 2.505 47 L HA 0.782 5.122 4.340 0.000 0.000 0.266 47 L C -0.550 176.289 176.870 -0.051 0.000 0.954 47 L CA -0.160 54.653 54.840 -0.045 0.000 0.852 47 L CB 1.507 43.536 42.059 -0.050 0.000 1.282 47 L HN 0.846 nan 8.230 nan 0.000 0.403 48 G N 4.258 113.024 108.800 -0.056 0.000 2.667 48 G HA2 0.748 4.709 3.960 0.000 0.000 0.298 48 G HA3 0.748 4.709 3.960 0.000 0.000 0.298 48 G C -1.777 173.088 174.900 -0.058 0.000 1.377 48 G CA -0.695 44.370 45.100 -0.060 0.000 0.964 48 G HN 0.579 nan 8.290 nan 0.000 0.493 49 R N -0.285 120.184 120.500 -0.052 0.000 2.774 49 R HA 0.815 5.155 4.340 0.000 0.000 0.272 49 R C -1.221 175.058 176.300 -0.035 0.000 1.000 49 R CA -1.037 55.055 56.100 -0.012 0.000 0.906 49 R CB 2.636 32.945 30.300 0.015 0.000 1.227 49 R HN 0.822 nan 8.270 nan 0.000 0.468 50 A N 2.524 125.330 122.820 -0.024 0.000 2.408 50 A HA 0.622 4.943 4.320 0.000 0.000 0.295 50 A C -1.118 176.384 177.584 -0.137 0.000 1.040 50 A CA -0.674 51.308 52.037 -0.091 0.000 0.707 50 A CB 1.098 20.027 19.000 -0.119 0.000 1.235 50 A HN 0.527 nan 8.150 nan 0.000 0.418 51 L N 1.636 122.767 121.223 -0.154 0.000 2.333 51 L HA 0.486 4.827 4.340 0.000 0.000 0.269 51 L C -0.356 176.429 176.870 -0.143 0.000 1.010 51 L CA -1.054 53.648 54.840 -0.229 0.000 0.818 51 L CB 1.528 43.441 42.059 -0.245 0.000 1.306 51 L HN 0.780 nan 8.230 nan 0.000 0.430 52 Y N 0.974 121.054 120.300 -0.367 0.000 2.480 52 Y HA 0.136 4.686 4.550 0.000 0.000 0.338 52 Y C 1.122 176.876 175.900 -0.244 0.000 1.220 52 Y CA 0.238 58.145 58.100 -0.322 0.000 1.430 52 Y CB 1.508 39.580 38.460 -0.648 0.000 1.311 52 Y HN 0.717 nan 8.280 nan 0.000 0.575 53 A N 4.789 127.118 122.820 -0.818 0.000 1.940 53 A HA 0.127 4.447 4.320 0.000 0.000 0.219 53 A C 1.063 178.423 177.584 -0.374 0.000 1.176 53 A CA 1.368 53.086 52.037 -0.532 0.000 0.631 53 A CB -1.000 17.707 19.000 -0.488 0.000 0.814 53 A HN 0.864 nan 8.150 nan 0.000 0.446 54 A N -0.143 122.430 122.820 -0.410 0.000 2.325 54 A HA 0.676 4.996 4.320 0.000 0.000 0.333 54 A C -2.538 175.229 177.584 0.305 0.000 1.155 54 A CA -1.908 50.147 52.037 0.029 0.000 0.814 54 A CB 0.909 20.015 19.000 0.177 0.000 1.206 54 A HN 0.247 nan 8.150 nan 0.000 0.482 55 P HA 0.630 nan 4.420 nan 0.000 0.281 55 P C -1.053 176.676 177.300 0.716 0.000 1.281 55 P CA -0.226 63.165 63.100 0.485 0.000 0.811 55 P CB 0.913 32.815 31.700 0.337 0.000 1.154 56 F N -2.650 117.548 119.950 0.413 0.000 2.613 56 F HA 0.553 5.080 4.527 0.000 0.000 0.314 56 F C -0.567 175.080 175.800 -0.255 0.000 1.075 56 F CA -1.457 56.652 58.000 0.180 0.000 0.945 56 F CB 1.570 40.629 39.000 0.098 0.000 1.310 56 F HN 0.199 nan 8.300 nan 0.000 0.467 57 Q N 2.915 122.191 119.800 -0.873 0.000 2.314 57 Q HA 0.331 4.671 4.340 0.000 0.000 0.257 57 Q C 0.184 175.776 176.000 -0.680 0.000 0.975 57 Q CA -0.245 54.728 55.803 -1.384 0.000 0.933 57 Q CB 1.343 29.044 28.738 -1.729 0.000 1.195 57 Q HN 0.997 nan 8.270 nan 0.000 0.426 58 I N 5.595 125.744 120.570 -0.700 0.000 3.226 58 I HA 0.128 4.298 4.170 0.000 0.000 0.277 58 I C -0.578 175.603 176.117 0.106 0.000 1.243 58 I CA 0.086 61.240 61.300 -0.243 0.000 1.459 58 I CB 0.304 38.122 38.000 -0.304 0.000 1.093 58 I HN 0.645 nan 8.210 nan 0.000 0.453 59 W N 0.060 121.228 121.300 -0.222 0.000 3.153 59 W HA 0.385 5.045 4.660 0.000 0.000 0.316 59 W C -2.264 174.174 176.519 -0.135 0.000 1.255 59 W CA -0.990 56.288 57.345 -0.111 0.000 1.192 59 W CB 0.237 29.670 29.460 -0.045 0.000 1.400 59 W HN -0.269 nan 8.180 nan 0.000 0.568 60 D N 1.344 121.798 120.400 0.091 0.000 2.502 60 D HA 0.234 4.874 4.640 0.000 0.000 0.249 60 D C 1.078 177.438 176.300 0.100 0.000 1.092 60 D CA -0.108 53.839 54.000 -0.089 0.000 0.839 60 D CB 2.412 43.202 40.800 -0.017 0.000 1.264 60 D HN 0.389 nan 8.370 nan 0.000 0.511 61 S N 1.931 117.570 115.700 -0.102 0.000 2.453 61 S HA -0.108 4.362 4.470 0.000 0.000 0.231 61 S C 1.546 176.225 174.600 0.132 0.000 1.005 61 S CA 0.917 59.204 58.200 0.145 0.000 0.949 61 S CB 0.014 63.219 63.200 0.009 0.000 0.774 61 S HN 0.475 nan 8.310 nan 0.000 0.510 62 T N 2.502 117.096 114.554 0.067 0.000 2.809 62 T HA -0.033 4.317 4.350 0.000 0.000 0.260 62 T C 2.251 176.996 174.700 0.075 0.000 1.039 62 T CA 1.860 63.998 62.100 0.064 0.000 1.141 62 T CB -0.709 68.185 68.868 0.043 0.000 0.869 62 T HN 0.829 nan 8.240 nan 0.000 0.437 63 T N -1.372 113.230 114.554 0.080 0.000 3.051 63 T HA 0.367 4.717 4.350 0.000 0.000 0.255 63 T C 1.928 176.689 174.700 0.101 0.000 1.085 63 T CA 1.009 63.155 62.100 0.077 0.000 1.109 63 T CB -0.154 68.753 68.868 0.065 0.000 0.921 63 T HN 0.528 nan 8.240 nan 0.000 0.488 64 G N 1.731 110.626 108.800 0.157 0.000 2.179 64 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 64 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 64 G C 0.002 175.003 174.900 0.169 0.000 0.977 64 G CA -0.025 45.186 45.100 0.185 0.000 0.641 64 G HN 0.632 nan 8.290 nan 0.000 0.533 65 N N -0.206 118.585 118.700 0.151 0.000 2.444 65 N HA 0.481 5.221 4.740 0.000 0.000 0.255 65 N C 0.167 175.789 175.510 0.187 0.000 1.255 65 N CA 0.218 53.345 53.050 0.129 0.000 0.933 65 N CB 1.543 40.085 38.487 0.091 0.000 1.143 65 N HN 0.202 nan 8.380 nan 0.000 0.453 66 V N 0.418 120.428 119.914 0.161 0.000 2.680 66 V HA 0.616 4.736 4.120 0.000 0.000 0.309 66 V C 0.201 176.419 176.094 0.208 0.000 1.052 66 V CA -1.111 61.320 62.300 0.219 0.000 0.908 66 V CB 1.592 33.534 31.823 0.198 0.000 1.001 66 V HN 0.789 nan 8.190 nan 0.000 0.431 67 A N 3.074 126.054 122.820 0.267 0.000 2.322 67 A HA 0.747 5.067 4.320 0.000 0.000 0.269 67 A C 0.260 178.061 177.584 0.361 0.000 1.094 67 A CA -0.169 52.033 52.037 0.275 0.000 0.807 67 A CB 0.561 19.756 19.000 0.325 0.000 1.047 67 A HN 0.762 nan 8.150 nan 0.000 0.487 68 S N -0.142 115.696 115.700 0.230 0.000 2.537 68 S HA 0.827 5.298 4.470 0.000 0.000 0.301 68 S C -0.809 173.879 174.600 0.146 0.000 1.092 68 S CA -0.295 57.988 58.200 0.138 0.000 1.048 68 S CB 0.927 64.108 63.200 -0.031 0.000 1.053 68 S HN 0.900 nan 8.310 nan 0.000 0.501 69 F N 0.120 120.048 119.950 -0.037 0.000 2.711 69 F HA 0.861 5.388 4.527 0.000 0.000 0.313 69 F C -1.226 174.390 175.800 -0.307 0.000 1.141 69 F CA -1.294 56.524 58.000 -0.302 0.000 0.941 69 F CB 0.805 39.538 39.000 -0.444 0.000 1.349 69 F HN 0.466 nan 8.300 nan 0.000 0.464 70 V N -1.297 118.442 119.914 -0.292 0.000 3.049 70 V HA 0.935 5.055 4.120 0.000 0.000 0.309 70 V C -1.166 174.766 176.094 -0.270 0.000 1.148 70 V CA -0.402 61.701 62.300 -0.329 0.000 0.990 70 V CB 1.171 32.884 31.823 -0.183 0.000 1.039 70 V HN 1.301 nan 8.190 nan 0.000 0.430 71 T N 1.588 116.027 114.554 -0.192 0.000 2.932 71 T HA 0.789 5.139 4.350 0.000 0.000 0.318 71 T C -0.859 173.947 174.700 0.176 0.000 1.265 71 T CA 0.334 62.487 62.100 0.088 0.000 1.036 71 T CB 1.692 70.718 68.868 0.263 0.000 1.209 71 T HN 2.038 nan 8.240 nan 0.000 0.484 72 S N 2.836 118.807 115.700 0.453 0.000 2.549 72 S HA 0.957 5.427 4.470 0.000 0.000 0.280 72 S C -1.165 173.876 174.600 0.735 0.000 1.109 72 S CA -0.834 57.641 58.200 0.458 0.000 0.905 72 S CB 1.531 64.972 63.200 0.401 0.000 1.081 72 S HN 0.981 nan 8.310 nan 0.000 0.477 73 F N -1.686 118.513 119.950 0.416 0.000 2.713 73 F HA 0.845 5.372 4.527 0.000 0.000 0.311 73 F C -0.818 175.148 175.800 0.276 0.000 1.141 73 F CA -0.751 57.504 58.000 0.425 0.000 0.939 73 F CB 1.070 40.355 39.000 0.476 0.000 1.325 73 F HN 0.754 nan 8.300 nan 0.000 0.453 74 T N 0.093 114.899 114.554 0.420 0.000 2.887 74 T HA 0.858 5.208 4.350 0.000 0.000 0.288 74 T C -1.122 173.799 174.700 0.368 0.000 1.021 74 T CA -0.580 61.651 62.100 0.218 0.000 1.000 74 T CB 1.996 70.954 68.868 0.148 0.000 1.034 74 T HN 1.347 nan 8.240 nan 0.000 0.467 75 F N 0.032 120.051 119.950 0.115 0.000 2.686 75 F HA 0.861 5.388 4.527 0.000 0.000 0.311 75 F C -2.256 173.633 175.800 0.148 0.000 1.128 75 F CA -1.795 56.276 58.000 0.120 0.000 0.946 75 F CB 1.176 40.237 39.000 0.102 0.000 1.336 75 F HN 0.623 nan 8.300 nan 0.000 0.457 76 I N 2.797 123.601 120.570 0.390 0.000 2.582 76 I HA 0.499 4.669 4.170 0.000 0.000 0.292 76 I C -1.202 175.209 176.117 0.489 0.000 1.066 76 I CA -0.771 60.713 61.300 0.308 0.000 1.053 76 I CB 2.403 40.523 38.000 0.199 0.000 1.241 76 I HN 0.575 nan 8.210 nan 0.000 0.421 77 I N 4.963 125.874 120.570 0.568 0.000 2.439 77 I HA 0.296 4.466 4.170 0.000 0.000 0.283 77 I C -0.796 175.675 176.117 0.589 0.000 1.023 77 I CA -0.541 61.108 61.300 0.582 0.000 1.100 77 I CB 1.903 40.326 38.000 0.706 0.000 1.238 77 I HN 0.489 nan 8.210 nan 0.000 0.445 78 Q N 5.812 125.841 119.800 0.382 0.000 2.337 78 Q HA 0.835 5.175 4.340 0.000 0.000 0.266 78 Q C -1.544 174.624 176.000 0.280 0.000 1.023 78 Q CA -0.510 55.486 55.803 0.321 0.000 0.829 78 Q CB 2.225 31.075 28.738 0.186 0.000 1.306 78 Q HN 0.728 nan 8.270 nan 0.000 0.449 79 A N 4.894 127.901 122.820 0.313 0.000 2.422 79 A HA 0.651 4.971 4.320 0.000 0.000 0.302 79 A C -2.346 175.326 177.584 0.146 0.000 1.041 79 A CA -1.549 50.607 52.037 0.198 0.000 0.708 79 A CB 1.424 20.530 19.000 0.177 0.000 1.257 79 A HN 0.752 nan 8.150 nan 0.000 0.414 80 P HA -0.103 nan 4.420 nan 0.000 0.215 80 P C 0.277 177.603 177.300 0.043 0.000 1.157 80 P CA 1.287 64.416 63.100 0.048 0.000 0.868 80 P CB 0.195 31.909 31.700 0.022 0.000 0.788 81 N N -0.949 117.768 118.700 0.028 0.000 2.564 81 N HA 0.144 4.884 4.740 0.000 0.000 0.248 81 N C -1.817 173.725 175.510 0.054 0.000 0.986 81 N CA -2.026 51.032 53.050 0.012 0.000 0.921 81 N CB 1.141 39.597 38.487 -0.051 0.000 1.136 81 N HN -0.085 nan 8.380 nan 0.000 0.509 82 P HA -0.096 nan 4.420 nan 0.000 0.231 82 P C 0.697 178.107 177.300 0.183 0.000 1.158 82 P CA 0.668 63.939 63.100 0.286 0.000 0.763 82 P CB 0.312 32.165 31.700 0.255 0.000 0.805 83 A N 0.118 122.978 122.820 0.066 0.000 2.081 83 A HA 0.065 4.385 4.320 0.000 0.000 0.214 83 A C 1.254 178.832 177.584 -0.010 0.000 1.158 83 A CA 1.163 53.221 52.037 0.035 0.000 0.724 83 A CB -0.799 18.206 19.000 0.009 0.000 0.826 83 A HN 0.339 nan 8.150 nan 0.000 0.463 84 T N -0.172 114.313 114.554 -0.115 0.000 3.064 84 T HA 0.506 4.856 4.350 0.000 0.000 0.367 84 T C -0.387 174.209 174.700 -0.174 0.000 1.202 84 T CA 0.033 61.939 62.100 -0.324 0.000 1.133 84 T CB 0.260 68.607 68.868 -0.868 0.000 1.074 84 T HN 0.292 nan 8.240 nan 0.000 0.519 85 T N 0.112 114.684 114.554 0.029 0.000 2.885 85 T HA 0.899 5.249 4.350 0.000 0.000 0.285 85 T C -0.391 174.401 174.700 0.153 0.000 1.019 85 T CA -0.898 61.174 62.100 -0.046 0.000 1.010 85 T CB 1.817 70.444 68.868 -0.402 0.000 1.022 85 T HN 1.324 nan 8.240 nan 0.000 0.466 86 A N 1.296 124.154 122.820 0.062 0.000 2.590 86 A HA 0.613 4.933 4.320 0.000 0.000 0.294 86 A C -0.259 177.330 177.584 0.009 0.000 1.046 86 A CA -0.686 51.380 52.037 0.049 0.000 0.684 86 A CB 1.062 19.990 19.000 -0.120 0.000 1.279 86 A HN 0.753 nan 8.150 nan 0.000 0.415 87 D N -0.105 120.308 120.400 0.022 0.000 2.470 87 D HA 0.416 5.056 4.640 0.000 0.000 0.238 87 D C 0.780 177.149 176.300 0.115 0.000 1.054 87 D CA 1.682 55.724 54.000 0.070 0.000 0.896 87 D CB 1.457 42.288 40.800 0.053 0.000 1.118 87 D HN 1.341 nan 8.370 nan 0.000 0.497 88 G N 0.545 109.400 108.800 0.092 0.000 2.336 88 G HA2 0.302 4.262 3.960 0.000 0.000 0.300 88 G HA3 0.302 4.262 3.960 0.000 0.000 0.300 88 G C -2.248 172.709 174.900 0.095 0.000 1.375 88 G CA -0.783 44.395 45.100 0.129 0.000 0.885 88 G HN 0.103 nan 8.290 nan 0.000 0.599 89 L N -0.095 121.199 121.223 0.119 0.000 2.401 89 L HA 0.942 5.282 4.340 0.000 0.000 0.266 89 L C -0.114 176.885 176.870 0.215 0.000 0.991 89 L CA -0.550 54.324 54.840 0.058 0.000 0.818 89 L CB 1.906 43.869 42.059 -0.161 0.000 1.321 89 L HN 1.737 nan 8.230 nan 0.000 0.413 90 A N 3.173 126.120 122.820 0.212 0.000 2.539 90 A HA 0.671 4.991 4.320 0.000 0.000 0.296 90 A C -1.935 175.891 177.584 0.403 0.000 1.073 90 A CA -0.446 51.790 52.037 0.332 0.000 0.700 90 A CB 1.435 20.538 19.000 0.172 0.000 1.296 90 A HN 0.633 nan 8.150 nan 0.000 0.405 91 F N 2.299 122.464 119.950 0.358 0.000 2.443 91 F HA 0.797 5.324 4.527 0.000 0.000 0.335 91 F C -0.891 175.096 175.800 0.313 0.000 1.104 91 F CA -1.105 57.017 58.000 0.203 0.000 1.013 91 F CB 1.093 40.262 39.000 0.283 0.000 1.136 91 F HN 0.656 nan 8.300 nan 0.000 0.470 92 F N 4.592 124.046 119.950 -0.828 0.000 2.662 92 F HA 0.820 5.347 4.527 0.000 0.000 0.312 92 F C -2.449 173.050 175.800 -0.503 0.000 1.113 92 F CA -1.934 55.783 58.000 -0.472 0.000 0.951 92 F CB 1.123 39.953 39.000 -0.283 0.000 1.344 92 F HN 0.349 nan 8.300 nan 0.000 0.462 93 L N 2.220 123.305 121.223 -0.230 0.000 2.365 93 L HA 1.001 5.341 4.340 0.000 0.000 0.273 93 L C -0.276 176.569 176.870 -0.041 0.000 1.000 93 L CA -0.797 53.921 54.840 -0.203 0.000 0.819 93 L CB 1.634 43.660 42.059 -0.054 0.000 1.284 93 L HN 1.148 nan 8.230 nan 0.000 0.418 94 A N 3.129 125.908 122.820 -0.069 0.000 2.564 94 A HA 0.859 5.179 4.320 0.000 0.000 0.291 94 A C -2.996 174.591 177.584 0.005 0.000 1.102 94 A CA -1.370 50.688 52.037 0.035 0.000 0.660 94 A CB 1.234 20.331 19.000 0.162 0.000 1.283 94 A HN 0.396 nan 8.150 nan 0.000 0.430 95 P HA 0.143 nan 4.420 nan 0.000 0.267 95 P C 1.421 178.723 177.300 0.005 0.000 1.201 95 P CA 0.581 63.691 63.100 0.017 0.000 0.775 95 P CB 0.402 32.111 31.700 0.015 0.000 0.854 96 V N -0.197 119.722 119.914 0.009 0.000 2.469 96 V HA -0.212 3.908 4.120 0.000 0.000 0.251 96 V C 1.166 177.245 176.094 -0.025 0.000 1.064 96 V CA 2.284 64.582 62.300 -0.002 0.000 1.066 96 V CB -1.336 30.488 31.823 0.001 0.000 0.667 96 V HN 0.567 nan 8.190 nan 0.000 0.461 97 D N 0.071 120.457 120.400 -0.023 0.000 2.336 97 D HA 0.025 4.665 4.640 0.000 0.000 0.228 97 D C 0.987 177.273 176.300 -0.023 0.000 1.120 97 D CA 0.385 54.367 54.000 -0.031 0.000 0.839 97 D CB -0.332 40.448 40.800 -0.033 0.000 0.932 97 D HN 0.460 nan 8.370 nan 0.000 0.509 98 T N 0.940 115.489 114.554 -0.008 0.000 2.905 98 T HA -0.036 4.314 4.350 0.000 0.000 0.299 98 T C -0.118 174.584 174.700 0.004 0.000 1.024 98 T CA 0.359 62.468 62.100 0.015 0.000 1.151 98 T CB 0.487 69.404 68.868 0.080 0.000 0.987 98 T HN 0.047 nan 8.240 nan 0.000 0.535 99 Q N 4.580 124.371 119.800 -0.015 0.000 2.387 99 Q HA 0.467 4.807 4.340 0.000 0.000 0.273 99 Q C -2.357 173.609 176.000 -0.057 0.000 1.089 99 Q CA -2.286 53.498 55.803 -0.033 0.000 0.824 99 Q CB 1.813 30.527 28.738 -0.040 0.000 1.367 99 Q HN 0.553 nan 8.270 nan 0.000 0.443 100 P HA 0.042 nan 4.420 nan 0.000 0.266 100 P C -0.292 176.948 177.300 -0.100 0.000 1.195 100 P CA 0.363 63.403 63.100 -0.102 0.000 0.768 100 P CB 0.876 32.526 31.700 -0.083 0.000 0.838 101 L N 1.218 122.362 121.223 -0.131 0.000 2.783 101 L HA 0.380 4.720 4.340 0.000 0.000 0.205 101 L C 0.588 177.414 176.870 -0.074 0.000 1.985 101 L CA -0.901 53.880 54.840 -0.098 0.000 2.546 101 L CB -0.293 41.696 42.059 -0.116 0.000 2.829 101 L HN 0.177 nan 8.230 nan 0.000 0.614 102 D N 0.914 121.283 120.400 -0.052 0.000 2.382 102 D HA 0.307 4.947 4.640 0.000 0.000 0.240 102 D C 0.022 176.307 176.300 -0.025 0.000 1.146 102 D CA 0.116 54.100 54.000 -0.026 0.000 0.897 102 D CB 0.617 41.415 40.800 -0.003 0.000 1.197 102 D HN 0.120 nan 8.370 nan 0.000 0.432 103 L N 0.735 121.950 121.223 -0.013 0.000 2.543 103 L HA 0.393 4.733 4.340 0.000 0.000 0.231 103 L C 2.000 178.878 176.870 0.013 0.000 1.194 103 L CA -0.182 54.651 54.840 -0.011 0.000 0.823 103 L CB -0.288 41.762 42.059 -0.015 0.000 1.374 103 L HN 0.638 nan 8.230 nan 0.000 0.507 104 G N 0.130 108.933 108.800 0.004 0.000 2.651 104 G HA2 -0.355 3.605 3.960 0.000 0.000 0.315 104 G HA3 -0.355 3.605 3.960 0.000 0.000 0.315 104 G C 0.920 175.866 174.900 0.076 0.000 1.258 104 G CA 0.387 45.494 45.100 0.011 0.000 1.002 104 G HN 1.074 nan 8.290 nan 0.000 0.551 105 G N -0.935 107.958 108.800 0.155 0.000 2.501 105 G HA2 0.049 4.010 3.960 0.000 0.000 0.220 105 G HA3 0.049 4.010 3.960 0.000 0.000 0.220 105 G C 1.596 176.677 174.900 0.302 0.000 1.114 105 G CA 1.667 46.966 45.100 0.332 0.000 0.757 105 G HN 0.456 nan 8.290 nan 0.000 0.559 106 M N -0.103 119.596 119.600 0.166 0.000 2.618 106 M HA 0.294 4.774 4.480 0.000 0.000 0.240 106 M C 1.408 177.767 176.300 0.099 0.000 1.123 106 M CA 0.021 55.384 55.300 0.104 0.000 1.060 106 M CB -0.724 31.904 32.600 0.047 0.000 1.535 106 M HN 0.248 nan 8.290 nan 0.000 0.507 107 L N -0.016 121.249 121.223 0.070 0.000 4.312 107 L HA -0.333 4.007 4.340 0.000 0.000 0.427 107 L C 1.056 177.855 176.870 -0.119 0.000 1.149 107 L CA 0.412 55.254 54.840 0.003 0.000 0.978 107 L CB -2.777 39.308 42.059 0.042 0.000 1.963 107 L HN 0.614 nan 8.230 nan 0.000 0.970 108 G N 0.121 108.847 108.800 -0.123 0.000 2.168 108 G HA2 -0.351 3.609 3.960 0.000 0.000 0.263 108 G HA3 -0.351 3.609 3.960 0.000 0.000 0.263 108 G C 0.571 175.258 174.900 -0.354 0.000 0.977 108 G CA 0.688 45.671 45.100 -0.195 0.000 0.659 108 G HN 0.843 nan 8.290 nan 0.000 0.533 109 I N -4.406 115.882 120.570 -0.470 0.000 4.327 109 I HA 0.636 4.806 4.170 0.000 0.000 0.331 109 I C 0.109 175.698 176.117 -0.880 0.000 1.348 109 I CA -0.557 60.258 61.300 -0.809 0.000 1.152 109 I CB 0.263 37.545 38.000 -1.197 0.000 1.151 109 I HN -0.062 nan 8.210 nan 0.000 0.410 110 F N 1.600 121.452 119.950 -0.164 0.000 2.603 110 F HA 0.737 5.265 4.527 0.000 0.000 0.317 110 F C -0.028 175.703 175.800 -0.114 0.000 1.066 110 F CA -0.804 57.119 58.000 -0.128 0.000 0.941 110 F CB 1.869 40.772 39.000 -0.162 0.000 1.291 110 F HN -0.166 nan 8.300 nan 0.000 0.472 116 N N 5.806 124.217 118.700 -0.482 0.000 2.414 116 N HA 0.211 4.951 4.740 0.000 0.000 0.256 116 N C 0.904 175.926 175.510 -0.812 0.000 1.029 116 N CA -0.212 52.542 53.050 -0.492 0.000 0.948 116 N CB 0.994 39.346 38.487 -0.226 0.000 1.102 116 N HN 0.756 nan 8.380 nan 0.000 0.496 117 K N 1.125 121.096 120.400 -0.715 0.000 2.585 117 K HA -0.008 4.312 4.320 0.000 0.000 0.194 117 K C 0.512 176.969 176.600 -0.237 0.000 1.037 117 K CA 0.758 56.733 56.287 -0.520 0.000 0.964 117 K CB 0.215 32.570 32.500 -0.242 0.000 0.787 117 K HN 0.230 nan 8.250 nan 0.000 0.488 118 S N 0.836 116.411 115.700 -0.208 0.000 2.524 118 S HA 0.095 4.565 4.470 0.000 0.000 0.215 118 S C 0.053 174.611 174.600 -0.071 0.000 0.986 118 S CA -0.280 57.861 58.200 -0.098 0.000 0.911 118 S CB 0.191 63.342 63.200 -0.080 0.000 0.805 118 S HN 0.394 nan 8.310 nan 0.000 0.501 119 N N 2.372 121.011 118.700 -0.101 0.000 2.453 119 N HA 0.203 4.943 4.740 0.000 0.000 0.270 119 N C -0.743 174.796 175.510 0.048 0.000 1.195 119 N CA -0.112 52.919 53.050 -0.032 0.000 0.902 119 N CB 0.276 38.741 38.487 -0.036 0.000 1.186 119 N HN 0.402 nan 8.380 nan 0.000 0.510 120 Q N 0.802 120.641 119.800 0.065 0.000 2.330 120 Q HA 0.281 4.621 4.340 0.000 0.000 0.279 120 Q C -0.268 175.815 176.000 0.139 0.000 1.024 120 Q CA 0.572 56.467 55.803 0.153 0.000 0.900 120 Q CB 1.311 30.129 28.738 0.133 0.000 1.221 120 Q HN 0.406 nan 8.270 nan 0.000 0.396 121 I N 0.628 121.309 120.570 0.185 0.000 2.787 121 I HA 0.459 4.629 4.170 0.000 0.000 0.294 121 I C -1.730 174.507 176.117 0.199 0.000 1.365 121 I CA -1.088 60.304 61.300 0.153 0.000 1.029 121 I CB 1.851 39.870 38.000 0.031 0.000 1.313 121 I HN 0.409 nan 8.210 nan 0.000 0.431 122 V N 6.440 126.459 119.914 0.175 0.000 2.540 122 V HA 0.957 5.077 4.120 0.000 0.000 0.302 122 V C -0.177 176.055 176.094 0.231 0.000 1.035 122 V CA -0.182 62.234 62.300 0.194 0.000 0.873 122 V CB 1.370 33.280 31.823 0.145 0.000 0.992 122 V HN 0.882 nan 8.190 nan 0.000 0.428 123 A N 4.029 127.008 122.820 0.265 0.000 2.587 123 A HA 0.907 5.227 4.320 0.000 0.000 0.293 123 A C -1.510 176.237 177.584 0.273 0.000 1.087 123 A CA -0.578 51.632 52.037 0.287 0.000 0.692 123 A CB 2.212 21.349 19.000 0.229 0.000 1.291 123 A HN 0.615 nan 8.150 nan 0.000 0.407 124 V N 2.213 122.315 119.914 0.313 0.000 2.378 124 V HA 0.458 4.578 4.120 0.000 0.000 0.288 124 V C -0.168 175.962 176.094 0.060 0.000 1.016 124 V CA -0.316 62.090 62.300 0.176 0.000 0.840 124 V CB 1.198 33.185 31.823 0.273 0.000 0.994 124 V HN 0.996 nan 8.190 nan 0.000 0.431 125 E N 4.255 124.373 120.200 -0.137 0.000 2.207 125 E HA 0.642 4.992 4.350 0.000 0.000 0.270 125 E C -1.639 174.610 176.600 -0.585 0.000 0.927 125 E CA -0.753 55.552 56.400 -0.158 0.000 0.799 125 E CB 1.920 31.637 29.700 0.028 0.000 1.172 125 E HN 0.406 nan 8.360 nan 0.000 0.404 126 F N 1.747 121.668 119.950 -0.048 0.000 2.359 126 F HA 0.214 4.741 4.527 0.000 0.000 0.370 126 F C -0.227 175.620 175.800 0.078 0.000 1.077 126 F CA -0.957 56.929 58.000 -0.191 0.000 1.136 126 F CB 1.065 39.837 39.000 -0.381 0.000 1.387 126 F HN 0.444 nan 8.300 nan 0.000 0.468 127 D N 1.768 122.219 120.400 0.085 0.000 2.339 127 D HA 0.098 4.738 4.640 0.000 0.000 0.241 127 D C 1.120 177.511 176.300 0.152 0.000 1.183 127 D CA 0.043 54.062 54.000 0.032 0.000 0.859 127 D CB 1.302 41.895 40.800 -0.345 0.000 1.067 127 D HN 0.548 nan 8.370 nan 0.000 0.484 128 T N 1.035 115.686 114.554 0.162 0.000 3.107 128 T HA 0.178 4.529 4.350 0.000 0.000 0.249 128 T C 0.349 175.092 174.700 0.071 0.000 1.096 128 T CA -0.404 61.694 62.100 -0.003 0.000 1.012 128 T CB -0.255 68.498 68.868 -0.191 0.000 0.977 128 T HN 0.252 nan 8.240 nan 0.000 0.527 129 F N 1.660 121.601 119.950 -0.015 0.000 2.585 129 F HA 0.568 5.095 4.527 0.000 0.000 0.319 129 F C -0.430 175.383 175.800 0.022 0.000 1.165 129 F CA -1.166 56.833 58.000 -0.000 0.000 0.949 129 F CB 2.053 41.044 39.000 -0.015 0.000 1.218 129 F HN -0.046 nan 8.300 nan 0.000 0.453 130 S N 4.722 119.987 115.700 -0.724 0.000 2.430 130 S HA 0.253 4.724 4.470 0.000 0.000 0.282 130 S C -0.471 173.725 174.600 -0.672 0.000 1.186 130 S CA -0.358 57.542 58.200 -0.499 0.000 1.060 130 S CB -0.516 62.459 63.200 -0.375 0.000 0.966 130 S HN 0.656 nan 8.310 nan 0.000 0.501 131 N N 4.088 122.568 118.700 -0.366 0.000 2.521 131 N HA 0.295 5.035 4.740 0.000 0.000 0.236 131 N C 1.389 176.527 175.510 -0.620 0.000 1.067 131 N CA 0.003 52.734 53.050 -0.532 0.000 0.939 131 N CB 0.893 38.794 38.487 -0.977 0.000 1.201 131 N HN 0.740 nan 8.380 nan 0.000 0.511 132 G N 1.186 109.736 108.800 -0.417 0.000 2.581 132 G HA2 -0.294 3.666 3.960 0.000 0.000 0.223 132 G HA3 -0.294 3.666 3.960 0.000 0.000 0.223 132 G C 0.970 175.696 174.900 -0.290 0.000 1.094 132 G CA 0.755 45.676 45.100 -0.298 0.000 0.736 132 G HN 0.498 nan 8.290 nan 0.000 0.588 133 D N -0.891 119.239 120.400 -0.451 0.000 2.317 133 D HA 0.016 4.657 4.640 0.000 0.000 0.211 133 D C 1.613 177.904 176.300 -0.015 0.000 0.966 133 D CA 1.016 54.864 54.000 -0.253 0.000 0.876 133 D CB 0.045 40.698 40.800 -0.246 0.000 0.927 133 D HN 0.869 nan 8.370 nan 0.000 0.519 134 W N -0.722 120.566 121.300 -0.019 0.000 1.034 134 W HA 0.300 4.960 4.660 -0.000 0.000 0.168 134 W C -0.928 175.568 176.519 -0.037 0.000 0.698 134 W CA -0.469 56.855 57.345 -0.034 0.000 0.698 134 W CB -0.142 29.294 29.460 -0.041 0.000 0.803 134 W HN -0.397 nan 8.180 nan 0.000 0.426 135 D N 3.237 123.577 120.400 -0.100 0.000 2.198 135 D HA 0.314 4.954 4.640 0.000 0.000 0.247 135 D C -1.071 175.154 176.300 -0.124 0.000 1.010 135 D CA -1.694 52.282 54.000 -0.039 0.000 0.880 135 D CB 2.273 43.061 40.800 -0.019 0.000 1.209 135 D HN -0.197 nan 8.370 nan 0.000 0.451 136 P HA -0.032 nan 4.420 nan 0.000 0.198 136 P C -0.384 176.843 177.300 -0.123 0.000 1.020 136 P CA 0.678 63.685 63.100 -0.154 0.000 0.835 136 P CB 0.558 32.134 31.700 -0.207 0.000 0.659 137 K N -0.760 119.581 120.400 -0.098 0.000 2.571 137 K HA 0.509 4.829 4.320 0.000 0.000 0.252 137 K C -0.040 176.559 176.600 -0.002 0.000 0.956 137 K CA 0.181 56.430 56.287 -0.063 0.000 0.822 137 K CB 1.842 34.313 32.500 -0.049 0.000 1.286 137 K HN 0.813 nan 8.250 nan 0.000 0.439 138 G N 2.384 111.178 108.800 -0.011 0.000 2.829 138 G HA2 -0.254 3.706 3.960 0.000 0.000 0.628 138 G HA3 -0.254 3.706 3.960 0.000 0.000 0.628 138 G C -0.758 174.235 174.900 0.155 0.000 1.412 138 G CA -0.829 44.292 45.100 0.036 0.000 0.864 138 G HN 0.568 nan 8.290 nan 0.000 0.544 139 R N 1.075 121.640 120.500 0.108 0.000 2.643 139 R HA 0.479 4.820 4.340 0.000 0.000 0.270 139 R C 0.742 177.250 176.300 0.347 0.000 1.061 139 R CA 0.612 56.795 56.100 0.139 0.000 1.107 139 R CB 0.469 30.726 30.300 -0.072 0.000 0.999 139 R HN 0.939 nan 8.270 nan 0.000 0.460 140 H N -0.027 119.276 119.070 0.388 0.000 2.967 140 H HA 0.292 4.848 4.556 0.000 0.000 0.318 140 H C -1.291 174.188 175.328 0.251 0.000 1.375 140 H CA -0.935 55.317 56.048 0.340 0.000 1.132 140 H CB 0.770 30.640 29.762 0.179 0.000 1.848 140 H HN 0.305 nan 8.280 nan 0.000 0.524 141 L N 0.740 122.073 121.223 0.184 0.000 2.343 141 L HA 0.695 5.035 4.340 0.000 0.000 0.275 141 L C 0.674 177.582 176.870 0.063 0.000 1.056 141 L CA -0.463 54.296 54.840 -0.135 0.000 0.804 141 L CB 1.683 43.648 42.059 -0.158 0.000 1.203 141 L HN 0.889 nan 8.230 nan 0.000 0.440 142 G N 2.355 111.124 108.800 -0.052 0.000 2.696 142 G HA2 0.695 4.655 3.960 0.000 0.000 0.295 142 G HA3 0.695 4.655 3.960 0.000 0.000 0.295 142 G C -1.443 173.470 174.900 0.023 0.000 1.398 142 G CA -0.462 44.688 45.100 0.084 0.000 0.920 142 G HN 0.411 nan 8.290 nan 0.000 0.492 143 I N 1.548 122.156 120.570 0.063 0.000 2.406 143 I HA 0.337 4.508 4.170 0.000 0.000 0.290 143 I C -0.637 175.535 176.117 0.091 0.000 0.999 143 I CA -0.775 60.575 61.300 0.083 0.000 1.124 143 I CB 1.901 39.950 38.000 0.082 0.000 1.289 143 I HN 0.324 nan 8.210 nan 0.000 0.441 144 N N 5.592 124.372 118.700 0.134 0.000 2.284 144 N HA 0.560 5.300 4.740 0.000 0.000 0.300 144 N C -1.348 174.267 175.510 0.175 0.000 1.047 144 N CA -0.543 52.581 53.050 0.124 0.000 0.821 144 N CB 3.223 41.821 38.487 0.186 0.000 1.337 144 N HN 0.137 nan 8.380 nan 0.000 0.482 145 V N 3.050 123.018 119.914 0.091 0.000 2.419 145 V HA 0.241 4.361 4.120 0.000 0.000 0.287 145 V C 0.224 176.361 176.094 0.071 0.000 1.017 145 V CA -0.699 61.668 62.300 0.111 0.000 0.844 145 V CB 0.959 32.816 31.823 0.058 0.000 1.011 145 V HN 0.750 nan 8.190 nan 0.000 0.429 146 N N 1.549 120.390 118.700 0.234 0.000 2.900 146 N HA -0.182 4.558 4.740 0.000 0.000 0.240 146 N C 0.222 175.754 175.510 0.037 0.000 0.953 146 N CA 1.816 55.017 53.050 0.252 0.000 0.950 146 N CB -0.666 37.876 38.487 0.092 0.000 1.102 146 N HN 0.998 nan 8.380 nan 0.000 0.593 147 S N -1.301 114.155 115.700 -0.407 0.000 2.596 147 S HA 0.566 5.036 4.470 0.000 0.000 0.270 147 S C 0.483 174.179 174.600 -1.507 0.000 1.155 147 S CA -0.631 57.067 58.200 -0.838 0.000 0.827 147 S CB 1.107 64.026 63.200 -0.468 0.000 1.130 147 S HN -0.055 nan 8.310 nan 0.000 0.467 148 I N 1.942 121.703 120.570 -1.349 0.000 2.830 148 I HA 0.213 4.383 4.170 0.000 0.000 0.263 148 I C 0.887 176.632 176.117 -0.621 0.000 1.230 148 I CA 0.904 61.552 61.300 -1.086 0.000 1.480 148 I CB -0.425 36.928 38.000 -1.078 0.000 1.095 148 I HN 0.814 nan 8.210 nan 0.000 0.455 149 E N 0.875 120.784 120.200 -0.486 0.000 2.152 149 E HA 0.165 4.516 4.350 0.000 0.000 0.285 149 E C -0.299 176.220 176.600 -0.135 0.000 1.043 149 E CA -0.257 56.041 56.400 -0.169 0.000 0.839 149 E CB 0.532 30.171 29.700 -0.103 0.000 1.069 149 E HN 0.231 nan 8.360 nan 0.000 0.399 150 S N 4.542 120.225 115.700 -0.028 0.000 2.572 150 S HA 0.032 4.502 4.470 0.000 0.000 0.279 150 S C 1.522 176.115 174.600 -0.011 0.000 1.341 150 S CA -0.405 57.793 58.200 -0.003 0.000 1.043 150 S CB 0.551 63.792 63.200 0.068 0.000 0.887 150 S HN 0.670 nan 8.310 nan 0.000 0.516 151 I N -1.000 119.568 120.570 -0.004 0.000 2.830 151 I HA 0.211 4.381 4.170 0.000 0.000 0.263 151 I C 0.666 176.788 176.117 0.008 0.000 1.230 151 I CA 0.934 62.231 61.300 -0.004 0.000 1.480 151 I CB -0.085 37.918 38.000 0.006 0.000 1.095 151 I HN 0.397 nan 8.210 nan 0.000 0.455 152 K N 1.179 121.592 120.400 0.021 0.000 2.578 152 K HA 0.411 4.731 4.320 0.000 0.000 0.269 152 K C -1.118 175.506 176.600 0.040 0.000 0.941 152 K CA -0.298 56.004 56.287 0.025 0.000 0.847 152 K CB 2.008 34.528 32.500 0.033 0.000 1.397 152 K HN 0.238 nan 8.250 nan 0.000 0.422 153 T N -1.021 113.551 114.554 0.029 0.000 2.883 153 T HA 0.730 5.080 4.350 0.000 0.000 0.301 153 T C -0.767 173.977 174.700 0.073 0.000 1.158 153 T CA -0.649 61.485 62.100 0.056 0.000 1.007 153 T CB 1.480 70.288 68.868 -0.099 0.000 1.186 153 T HN 0.560 nan 8.240 nan 0.000 0.499 154 V N -1.911 118.091 119.914 0.147 0.000 2.888 154 V HA 0.804 4.924 4.120 0.000 0.000 0.309 154 V C -3.292 172.960 176.094 0.262 0.000 1.114 154 V CA -2.979 59.425 62.300 0.173 0.000 0.940 154 V CB 1.506 33.438 31.823 0.181 0.000 1.021 154 V HN 0.768 nan 8.190 nan 0.000 0.426 155 P HA 0.184 nan 4.420 nan 0.000 0.268 155 P C -1.442 176.092 177.300 0.389 0.000 1.205 155 P CA 0.484 63.764 63.100 0.299 0.000 0.771 155 P CB 0.279 32.120 31.700 0.235 0.000 0.858 156 W N 3.942 125.283 121.300 0.067 0.000 2.781 156 W HA 0.347 5.007 4.660 0.000 0.000 0.333 156 W C -1.331 175.090 176.519 -0.163 0.000 1.047 156 W CA -0.762 56.443 57.345 -0.232 0.000 1.236 156 W CB 0.764 30.140 29.460 -0.139 0.000 1.394 156 W HN 0.177 nan 8.180 nan 0.000 0.466 157 N N 5.755 124.215 118.700 -0.400 0.000 2.645 157 N HA 0.057 4.797 4.740 0.000 0.000 0.233 157 N C -0.783 174.489 175.510 -0.397 0.000 1.058 157 N CA -0.254 52.679 53.050 -0.195 0.000 0.942 157 N CB 0.191 38.811 38.487 0.223 0.000 1.210 157 N HN 0.598 nan 8.380 nan 0.000 0.512 158 W N 3.117 123.828 121.300 -0.982 0.000 2.190 158 W HA 0.173 4.833 4.660 0.000 0.000 0.330 158 W C -0.503 175.798 176.519 -0.362 0.000 1.299 158 W CA 0.036 56.870 57.345 -0.851 0.000 1.215 158 W CB 0.735 29.507 29.460 -1.147 0.000 1.147 158 W HN 0.139 nan 8.180 nan 0.000 0.563 159 T N 6.855 120.749 114.554 -1.099 0.000 2.791 159 T HA 0.132 4.482 4.350 0.000 0.000 0.288 159 T C -0.292 173.515 174.700 -1.489 0.000 0.999 159 T CA -0.681 60.667 62.100 -1.255 0.000 0.952 159 T CB 0.359 68.557 68.868 -1.116 0.000 0.938 159 T HN 0.544 nan 8.240 nan 0.000 0.444 160 N N 1.941 119.652 118.700 -1.649 0.000 2.294 160 N HA 0.099 4.839 4.740 0.000 0.000 0.263 160 N C 1.438 176.727 175.510 -0.367 0.000 1.281 160 N CA 1.068 53.538 53.050 -0.967 0.000 0.846 160 N CB 0.143 38.278 38.487 -0.587 0.000 1.061 160 N HN 1.001 nan 8.380 nan 0.000 0.478 161 G N 2.047 110.807 108.800 -0.066 0.000 2.186 161 G HA2 -0.329 3.631 3.960 0.000 0.000 0.266 161 G HA3 -0.329 3.631 3.960 0.000 0.000 0.266 161 G C 0.143 175.027 174.900 -0.027 0.000 0.982 161 G CA 0.679 45.785 45.100 0.009 0.000 0.670 161 G HN 0.672 nan 8.290 nan 0.000 0.533 162 E N -0.110 120.024 120.200 -0.111 0.000 2.331 162 E HA 0.514 4.864 4.350 0.000 0.000 0.272 162 E C 0.628 177.281 176.600 0.088 0.000 1.036 162 E CA -0.525 55.825 56.400 -0.083 0.000 0.864 162 E CB 1.185 30.676 29.700 -0.348 0.000 1.035 162 E HN 0.206 nan 8.360 nan 0.000 0.408 163 V N 3.502 123.470 119.914 0.090 0.000 2.479 163 V HA 0.377 4.497 4.120 0.000 0.000 0.281 163 V C 0.247 176.373 176.094 0.053 0.000 1.031 163 V CA 0.113 62.446 62.300 0.054 0.000 1.038 163 V CB 0.513 32.364 31.823 0.046 0.000 0.981 163 V HN 0.754 nan 8.190 nan 0.000 0.478 164 A N 5.056 127.724 122.820 -0.253 0.000 2.317 164 A HA 0.597 4.917 4.320 0.000 0.000 0.327 164 A C -0.114 177.210 177.584 -0.433 0.000 1.178 164 A CA -0.753 50.956 52.037 -0.548 0.000 0.817 164 A CB 0.493 18.828 19.000 -1.108 0.000 1.189 164 A HN 0.868 nan 8.150 nan 0.000 0.489 165 N N 0.810 119.332 118.700 -0.297 0.000 2.419 165 N HA 0.515 5.255 4.740 0.000 0.000 0.277 165 N C -1.151 174.227 175.510 -0.220 0.000 1.006 165 N CA -0.430 52.512 53.050 -0.180 0.000 0.923 165 N CB 1.872 40.311 38.487 -0.080 0.000 1.140 165 N HN 0.375 nan 8.380 nan 0.000 0.488 166 V N 2.946 122.667 119.914 -0.321 0.000 2.628 166 V HA 0.511 4.631 4.120 0.000 0.000 0.306 166 V C -0.909 175.104 176.094 -0.135 0.000 1.045 166 V CA -0.686 61.395 62.300 -0.365 0.000 0.905 166 V CB 1.443 32.670 31.823 -0.993 0.000 0.997 166 V HN 0.506 nan 8.190 nan 0.000 0.436 167 F N 5.345 125.223 119.950 -0.119 0.000 2.557 167 F HA 0.758 5.285 4.527 0.000 0.000 0.316 167 F C -0.903 174.905 175.800 0.014 0.000 1.141 167 F CA -0.808 57.169 58.000 -0.039 0.000 0.922 167 F CB 1.343 40.325 39.000 -0.031 0.000 1.194 167 F HN 0.328 nan 8.300 nan 0.000 0.443 168 I N 4.972 125.095 120.570 -0.745 0.000 2.498 168 I HA 0.517 4.687 4.170 0.000 0.000 0.290 168 I C -0.923 174.692 176.117 -0.836 0.000 1.032 168 I CA -0.606 60.382 61.300 -0.521 0.000 1.073 168 I CB 2.310 40.206 38.000 -0.174 0.000 1.251 168 I HN 0.667 nan 8.210 nan 0.000 0.426 169 S N 5.009 120.348 115.700 -0.603 0.000 2.548 169 S HA 0.642 5.112 4.470 0.000 0.000 0.286 169 S C -1.427 172.925 174.600 -0.414 0.000 1.098 169 S CA -0.719 57.150 58.200 -0.551 0.000 0.930 169 S CB 2.189 65.188 63.200 -0.335 0.000 1.070 169 S HN 0.526 nan 8.310 nan 0.000 0.480 170 Y N 1.107 120.960 120.300 -0.744 0.000 2.329 170 Y HA 0.498 5.048 4.550 0.000 0.000 0.328 170 Y C -0.628 175.055 175.900 -0.362 0.000 0.992 170 Y CA -0.688 57.051 58.100 -0.602 0.000 1.151 170 Y CB 1.576 39.460 38.460 -0.961 0.000 1.150 170 Y HN 0.943 nan 8.280 nan 0.000 0.450 171 E N 4.947 124.696 120.200 -0.751 0.000 2.046 171 E HA 0.483 4.833 4.350 0.000 0.000 0.279 171 E C 0.221 176.366 176.600 -0.759 0.000 0.989 171 E CA 0.168 56.242 56.400 -0.543 0.000 0.798 171 E CB 1.246 30.753 29.700 -0.322 0.000 1.086 171 E HN 0.950 nan 8.360 nan 0.000 0.399 172 A N 3.350 125.852 122.820 -0.530 0.000 1.908 172 A HA -0.221 4.099 4.320 0.000 0.000 0.218 172 A C 2.127 179.595 177.584 -0.194 0.000 1.181 172 A CA 1.997 53.846 52.037 -0.314 0.000 0.627 172 A CB -0.641 18.360 19.000 0.000 0.000 0.818 172 A HN 0.716 nan 8.150 nan 0.000 0.445 173 S N -0.357 115.250 115.700 -0.156 0.000 2.400 173 S HA -0.164 4.306 4.470 0.000 0.000 0.232 173 S C 1.579 176.116 174.600 -0.104 0.000 1.025 173 S CA 2.028 60.168 58.200 -0.099 0.000 0.993 173 S CB -1.038 62.114 63.200 -0.081 0.000 0.808 173 S HN 0.876 nan 8.310 nan 0.000 0.478 174 T N -2.235 112.226 114.554 -0.155 0.000 3.044 174 T HA 0.395 4.745 4.350 0.000 0.000 0.260 174 T C 0.284 174.903 174.700 -0.134 0.000 1.019 174 T CA -0.327 61.699 62.100 -0.123 0.000 0.921 174 T CB -0.444 68.355 68.868 -0.114 0.000 1.053 174 T HN 0.418 nan 8.240 nan 0.000 0.533 175 K N 0.808 121.083 120.400 -0.210 0.000 3.035 175 K HA -0.147 4.173 4.320 0.000 0.000 0.262 175 K C -0.146 176.402 176.600 -0.087 0.000 1.024 175 K CA 0.552 56.766 56.287 -0.123 0.000 0.748 175 K CB -1.999 30.530 32.500 0.048 0.000 1.247 175 K HN 0.450 nan 8.250 nan 0.000 0.482 176 S N 0.984 116.517 115.700 -0.278 0.000 2.422 176 S HA 0.443 4.913 4.470 0.000 0.000 0.298 176 S C -0.634 173.923 174.600 -0.072 0.000 1.118 176 S CA -0.921 57.204 58.200 -0.124 0.000 1.083 176 S CB 0.665 63.789 63.200 -0.126 0.000 0.971 176 S HN 0.304 nan 8.310 nan 0.000 0.478 177 L N 6.111 127.407 121.223 0.121 0.000 2.272 177 L HA 0.600 4.940 4.340 0.000 0.000 0.289 177 L C -0.338 176.571 176.870 0.064 0.000 1.032 177 L CA 0.365 55.307 54.840 0.171 0.000 0.810 177 L CB 1.449 43.657 42.059 0.249 0.000 1.205 177 L HN 0.579 nan 8.230 nan 0.000 0.422 178 T N 4.458 119.017 114.554 0.007 0.000 2.829 178 T HA 0.867 5.217 4.350 0.000 0.000 0.280 178 T C -0.726 173.977 174.700 0.005 0.000 0.999 178 T CA -0.439 61.670 62.100 0.015 0.000 0.983 178 T CB 1.606 70.486 68.868 0.020 0.000 0.968 178 T HN 0.771 nan 8.240 nan 0.000 0.446 179 A N 2.360 125.209 122.820 0.050 0.000 2.374 179 A HA 0.839 5.159 4.320 0.000 0.000 0.305 179 A C -0.211 177.443 177.584 0.117 0.000 1.053 179 A CA -0.823 51.257 52.037 0.072 0.000 0.726 179 A CB 1.262 20.303 19.000 0.069 0.000 1.229 179 A HN 0.903 nan 8.150 nan 0.000 0.431 180 S N 1.599 117.396 115.700 0.162 0.000 2.570 180 S HA 0.830 5.300 4.470 0.000 0.000 0.286 180 S C -1.008 173.696 174.600 0.173 0.000 1.099 180 S CA -0.666 57.639 58.200 0.176 0.000 0.913 180 S CB 1.539 64.842 63.200 0.173 0.000 1.085 180 S HN 1.424 nan 8.310 nan 0.000 0.480 181 L N 2.294 123.623 121.223 0.177 0.000 2.410 181 L HA 0.876 5.216 4.340 0.000 0.000 0.270 181 L C -1.824 175.097 176.870 0.085 0.000 0.983 181 L CA -0.629 54.259 54.840 0.080 0.000 0.822 181 L CB 1.756 43.849 42.059 0.055 0.000 1.285 181 L HN 0.729 nan 8.230 nan 0.000 0.409 182 V N 3.819 123.682 119.914 -0.084 0.000 2.876 182 V HA 0.414 4.534 4.120 0.000 0.000 0.312 182 V C -1.408 174.571 176.094 -0.192 0.000 1.085 182 V CA -0.525 61.736 62.300 -0.064 0.000 0.945 182 V CB 2.155 33.961 31.823 -0.028 0.000 1.017 182 V HN 0.528 nan 8.190 nan 0.000 0.428 183 Y N 4.502 124.869 120.300 0.112 0.000 2.593 183 Y HA 0.359 4.909 4.550 0.000 0.000 0.331 183 Y C -1.755 174.160 175.900 0.025 0.000 0.986 183 Y CA -2.419 55.718 58.100 0.061 0.000 1.262 183 Y CB 1.301 39.819 38.460 0.097 0.000 1.098 183 Y HN 0.482 nan 8.280 nan 0.000 0.506 184 P HA -0.250 nan 4.420 nan 0.000 0.216 184 P C 1.607 178.945 177.300 0.064 0.000 1.154 184 P CA 2.384 65.522 63.100 0.064 0.000 0.865 184 P CB 0.303 32.026 31.700 0.037 0.000 0.789 185 S N -1.433 114.311 115.700 0.074 0.000 2.428 185 S HA -0.034 4.436 4.470 0.000 0.000 0.230 185 S C 1.712 176.333 174.600 0.036 0.000 1.014 185 S CA 0.902 59.126 58.200 0.041 0.000 0.957 185 S CB -1.278 61.937 63.200 0.025 0.000 0.784 185 S HN 0.108 nan 8.310 nan 0.000 0.499 186 L N 0.314 121.577 121.223 0.067 0.000 2.554 186 L HA 0.344 4.684 4.340 0.000 0.000 0.225 186 L C 0.522 177.431 176.870 0.064 0.000 1.104 186 L CA 0.153 55.023 54.840 0.051 0.000 0.866 186 L CB -0.581 41.503 42.059 0.042 0.000 1.047 186 L HN 0.225 nan 8.230 nan 0.000 0.468 187 E N 0.482 120.727 120.200 0.075 0.000 2.791 187 E HA -0.189 4.161 4.350 0.000 0.000 0.271 187 E C 0.096 176.716 176.600 0.034 0.000 1.044 187 E CA 0.654 57.080 56.400 0.042 0.000 0.814 187 E CB -1.644 28.066 29.700 0.016 0.000 1.400 187 E HN 0.627 nan 8.360 nan 0.000 0.423 188 T N -1.447 113.164 114.554 0.095 0.000 2.929 188 T HA 0.668 5.018 4.350 0.000 0.000 0.284 188 T C 0.043 174.701 174.700 -0.070 0.000 1.014 188 T CA -0.158 61.960 62.100 0.030 0.000 1.051 188 T CB 2.135 71.135 68.868 0.221 0.000 1.028 188 T HN 0.244 nan 8.240 nan 0.000 0.485 189 S N 0.635 116.061 115.700 -0.457 0.000 2.537 189 S HA 0.797 5.267 4.470 0.000 0.000 0.270 189 S C -1.597 172.479 174.600 -0.872 0.000 1.142 189 S CA -1.042 56.901 58.200 -0.429 0.000 0.870 189 S CB 0.942 64.040 63.200 -0.170 0.000 1.112 189 S HN 0.644 nan 8.310 nan 0.000 0.466 190 F N 0.886 120.906 119.950 0.117 0.000 2.599 190 F HA 0.805 5.332 4.527 0.000 0.000 0.311 190 F C -0.326 175.528 175.800 0.090 0.000 1.076 190 F CA -0.960 57.120 58.000 0.134 0.000 0.937 190 F CB 1.848 40.971 39.000 0.205 0.000 1.282 190 F HN 0.806 nan 8.300 nan 0.000 0.460 191 I N 2.731 123.444 120.570 0.239 0.000 2.918 191 I HA 0.682 4.852 4.170 0.000 0.000 0.301 191 I C -1.997 174.199 176.117 0.131 0.000 1.312 191 I CA -0.758 60.636 61.300 0.156 0.000 1.007 191 I CB 2.527 40.590 38.000 0.106 0.000 1.281 191 I HN 0.735 nan 8.210 nan 0.000 0.440 192 I N 5.619 126.248 120.570 0.098 0.000 2.802 192 I HA 0.499 4.670 4.170 0.000 0.000 0.298 192 I C -2.205 173.949 176.117 0.063 0.000 1.176 192 I CA -0.249 61.098 61.300 0.077 0.000 1.025 192 I CB 1.997 40.035 38.000 0.064 0.000 1.243 192 I HN 0.634 nan 8.210 nan 0.000 0.424 193 D N 5.527 125.960 120.400 0.055 0.000 2.753 193 D HA 0.754 5.394 4.640 0.000 0.000 0.224 193 D C -1.921 174.408 176.300 0.048 0.000 1.213 193 D CA -0.241 53.788 54.000 0.048 0.000 0.833 193 D CB 2.703 43.525 40.800 0.037 0.000 1.607 193 D HN 0.795 nan 8.370 nan 0.000 0.463 194 A N 2.824 125.677 122.820 0.055 0.000 2.604 194 A HA 0.500 4.820 4.320 0.000 0.000 0.295 194 A C -1.142 176.484 177.584 0.070 0.000 1.067 194 A CA -0.673 51.397 52.037 0.056 0.000 0.683 194 A CB 0.885 19.921 19.000 0.060 0.000 1.281 194 A HN 0.523 nan 8.150 nan 0.000 0.407 195 I N 1.367 121.972 120.570 0.058 0.000 2.416 195 I HA 0.393 4.563 4.170 0.000 0.000 0.288 195 I C -0.692 175.484 176.117 0.098 0.000 1.051 195 I CA -0.227 61.114 61.300 0.069 0.000 1.375 195 I CB 1.197 39.220 38.000 0.038 0.000 1.407 195 I HN 0.290 nan 8.210 nan 0.000 0.516 196 V N 5.404 125.418 119.914 0.168 0.000 2.524 196 V HA 0.172 4.292 4.120 0.000 0.000 0.297 196 V C -0.511 175.696 176.094 0.188 0.000 1.035 196 V CA -0.639 61.754 62.300 0.156 0.000 0.867 196 V CB 1.947 33.860 31.823 0.151 0.000 1.004 196 V HN 0.613 nan 8.190 nan 0.000 0.426 197 D N 3.801 124.257 120.400 0.093 0.000 2.494 197 D HA 0.167 4.807 4.640 0.000 0.000 0.217 197 D C 1.228 177.527 176.300 -0.003 0.000 1.153 197 D CA -0.132 53.905 54.000 0.063 0.000 0.954 197 D CB 1.461 42.263 40.800 0.004 0.000 1.034 197 D HN 0.418 nan 8.370 nan 0.000 0.518 198 V N 2.350 122.261 119.914 -0.004 0.000 2.469 198 V HA -0.201 3.919 4.120 0.000 0.000 0.251 198 V C 2.183 178.175 176.094 -0.171 0.000 1.064 198 V CA 1.528 63.781 62.300 -0.078 0.000 1.066 198 V CB -0.645 31.094 31.823 -0.140 0.000 0.667 198 V HN 0.353 nan 8.190 nan 0.000 0.461 199 K N -0.187 120.024 120.400 -0.316 0.000 2.147 199 K HA -0.048 4.273 4.320 0.000 0.000 0.205 199 K C 1.829 177.992 176.600 -0.729 0.000 1.049 199 K CA 1.704 57.467 56.287 -0.873 0.000 0.936 199 K CB -0.054 32.023 32.500 -0.704 0.000 0.722 199 K HN 0.526 nan 8.250 nan 0.000 0.446 200 I N 0.532 120.902 120.570 -0.334 0.000 3.860 200 I HA -0.050 4.120 4.170 0.000 0.000 0.319 200 I C 1.559 177.634 176.117 -0.071 0.000 1.279 200 I CA 0.470 61.653 61.300 -0.195 0.000 1.220 200 I CB 0.337 38.266 38.000 -0.118 0.000 1.027 200 I HN -0.033 nan 8.210 nan 0.000 0.428 201 V N 0.368 120.253 119.914 -0.047 0.000 2.806 201 V HA 0.168 4.288 4.120 0.000 0.000 0.239 201 V C 1.028 177.178 176.094 0.093 0.000 1.113 201 V CA 0.560 62.887 62.300 0.044 0.000 1.137 201 V CB 0.279 32.131 31.823 0.048 0.000 0.865 201 V HN 0.060 nan 8.190 nan 0.000 0.482 202 L N 1.703 122.987 121.223 0.102 0.000 2.358 202 L HA 0.459 4.799 4.340 0.000 0.000 0.268 202 L C -2.274 174.810 176.870 0.357 0.000 1.032 202 L CA -1.847 53.096 54.840 0.171 0.000 0.805 202 L CB 1.178 43.308 42.059 0.118 0.000 1.253 202 L HN 0.080 nan 8.230 nan 0.000 0.452 203 P HA 0.118 nan 4.420 nan 0.000 0.277 203 P C -0.086 177.257 177.300 0.072 0.000 1.271 203 P CA -0.381 62.867 63.100 0.246 0.000 0.795 203 P CB 0.887 32.649 31.700 0.104 0.000 1.101 204 E N -0.472 119.490 120.200 -0.397 0.000 2.070 204 E HA -0.165 4.185 4.350 0.000 0.000 0.197 204 E C -0.101 176.110 176.600 -0.647 0.000 1.004 204 E CA 1.585 57.402 56.400 -0.972 0.000 0.805 204 E CB -0.102 29.101 29.700 -0.828 0.000 0.744 204 E HN 0.458 nan 8.360 nan 0.000 0.451 205 W N 0.324 121.435 121.300 -0.316 0.000 2.520 205 W HA 0.385 5.045 4.660 0.000 0.000 0.323 205 W C -0.522 175.863 176.519 -0.224 0.000 1.062 205 W CA -0.702 56.486 57.345 -0.260 0.000 1.215 205 W CB 1.368 30.726 29.460 -0.170 0.000 1.340 205 W HN -0.243 nan 8.180 nan 0.000 0.516 206 V N 0.471 120.319 119.914 -0.111 0.000 3.007 206 V HA 0.659 4.779 4.120 0.000 0.000 0.311 206 V C -0.450 175.679 176.094 0.060 0.000 1.120 206 V CA -1.732 60.517 62.300 -0.085 0.000 0.980 206 V CB 1.950 33.648 31.823 -0.209 0.000 1.033 206 V HN 0.597 nan 8.190 nan 0.000 0.429 207 R N 1.459 121.994 120.500 0.059 0.000 2.674 207 R HA 0.852 5.192 4.340 0.000 0.000 0.266 207 R C -1.182 175.124 176.300 0.009 0.000 1.016 207 R CA -0.336 55.809 56.100 0.075 0.000 1.062 207 R CB 1.955 32.212 30.300 -0.071 0.000 1.142 207 R HN 0.905 nan 8.270 nan 0.000 0.517 208 F N -2.608 117.170 119.950 -0.287 0.000 2.686 208 F HA 0.768 5.295 4.527 0.000 0.000 0.311 208 F C -0.190 175.256 175.800 -0.589 0.000 1.128 208 F CA -0.530 57.109 58.000 -0.601 0.000 0.946 208 F CB 1.547 40.328 39.000 -0.365 0.000 1.336 208 F HN 0.726 nan 8.300 nan 0.000 0.457 209 G N 0.427 108.610 108.800 -1.029 0.000 2.513 209 G HA2 0.375 4.335 3.960 0.000 0.000 0.182 209 G HA3 0.375 4.335 3.960 0.000 0.000 0.182 209 G C -2.250 171.902 174.900 -1.248 0.000 1.190 209 G CA -0.887 43.557 45.100 -1.094 0.000 0.987 209 G HN 0.674 nan 8.290 nan 0.000 0.479 210 F N 0.469 120.216 119.950 -0.339 0.000 2.538 210 F HA 0.877 5.404 4.527 0.000 0.000 0.325 210 F C 0.587 176.413 175.800 0.043 0.000 1.066 210 F CA -0.707 57.197 58.000 -0.159 0.000 0.946 210 F CB 2.478 41.250 39.000 -0.379 0.000 1.199 210 F HN 0.527 nan 8.300 nan 0.000 0.473 211 S N 0.803 116.610 115.700 0.178 0.000 2.541 211 S HA 0.917 5.387 4.470 0.000 0.000 0.271 211 S C -1.520 173.062 174.600 -0.029 0.000 1.133 211 S CA -0.296 57.891 58.200 -0.022 0.000 0.876 211 S CB 1.458 64.460 63.200 -0.331 0.000 1.105 211 S HN 1.143 nan 8.310 nan 0.000 0.470 212 A N 2.010 124.800 122.820 -0.050 0.000 2.604 212 A HA 0.866 5.186 4.320 0.000 0.000 0.295 212 A C -0.547 177.017 177.584 -0.032 0.000 1.067 212 A CA -0.413 51.606 52.037 -0.030 0.000 0.683 212 A CB 1.367 20.349 19.000 -0.030 0.000 1.281 212 A HN 1.306 nan 8.150 nan 0.000 0.407 213 T N -1.284 113.263 114.554 -0.012 0.000 2.883 213 T HA 0.852 5.202 4.350 0.000 0.000 0.301 213 T C -0.059 174.641 174.700 -0.001 0.000 1.158 213 T CA -0.003 62.090 62.100 -0.012 0.000 1.007 213 T CB 1.431 70.293 68.868 -0.010 0.000 1.186 213 T HN 1.671 nan 8.240 nan 0.000 0.499 214 T N -1.116 113.433 114.554 -0.009 0.000 2.949 214 T HA 0.769 5.119 4.350 0.000 0.000 0.287 214 T C 0.884 175.567 174.700 -0.028 0.000 1.034 214 T CA -0.512 61.584 62.100 -0.008 0.000 1.018 214 T CB 0.975 69.842 68.868 -0.002 0.000 1.135 214 T HN 1.088 nan 8.240 nan 0.000 0.532 215 G N -0.072 108.705 108.800 -0.038 0.000 2.664 215 G HA2 0.375 4.335 3.960 0.000 0.000 0.242 215 G HA3 0.375 4.335 3.960 0.000 0.000 0.242 215 G C 0.697 175.552 174.900 -0.075 0.000 1.225 215 G CA -0.708 44.331 45.100 -0.101 0.000 0.849 215 G HN 0.672 nan 8.290 nan 0.000 0.581 216 I N -0.148 120.349 120.570 -0.121 0.000 2.585 216 I HA 0.036 4.206 4.170 0.000 0.000 0.254 216 I C 0.630 176.717 176.117 -0.051 0.000 1.129 216 I CA 0.537 61.791 61.300 -0.076 0.000 1.455 216 I CB -0.788 37.163 38.000 -0.082 0.000 1.111 216 I HN 0.320 nan 8.210 nan 0.000 0.433 217 D N 2.002 122.363 120.400 -0.065 0.000 2.313 217 D HA 0.099 4.739 4.640 0.000 0.000 0.247 217 D C 0.288 176.644 176.300 0.092 0.000 1.094 217 D CA -0.352 53.655 54.000 0.012 0.000 0.925 217 D CB 1.396 42.199 40.800 0.005 0.000 1.188 217 D HN -0.173 nan 8.370 nan 0.000 0.430 218 K N 0.041 120.483 120.400 0.071 0.000 2.485 218 K HA 0.219 4.539 4.320 0.000 0.000 0.277 218 K C 1.107 177.737 176.600 0.050 0.000 0.990 218 K CA 1.004 57.321 56.287 0.049 0.000 0.994 218 K CB 0.098 32.614 32.500 0.027 0.000 0.906 218 K HN 0.595 nan 8.250 nan 0.000 0.488 219 G N 2.926 111.720 108.800 -0.009 0.000 2.336 219 G HA2 -0.301 3.659 3.960 0.000 0.000 0.233 219 G HA3 -0.301 3.659 3.960 0.000 0.000 0.233 219 G C -0.089 174.699 174.900 -0.187 0.000 1.053 219 G CA 0.310 45.346 45.100 -0.108 0.000 0.625 219 G HN 0.566 nan 8.290 nan 0.000 0.511 220 Y N 2.078 122.341 120.300 -0.061 0.000 2.623 220 Y HA 0.453 5.003 4.550 0.000 0.000 0.341 220 Y C 1.013 176.860 175.900 -0.088 0.000 1.292 220 Y CA 0.278 58.322 58.100 -0.094 0.000 1.840 220 Y CB 0.115 38.457 38.460 -0.195 0.000 1.865 220 Y HN 0.561 nan 8.280 nan 0.000 0.440 221 V N -0.107 119.810 119.914 0.005 0.000 3.102 221 V HA 0.836 4.956 4.120 0.000 0.000 0.312 221 V C -0.858 175.239 176.094 0.004 0.000 1.135 221 V CA -1.008 61.297 62.300 0.008 0.000 1.022 221 V CB 2.227 34.054 31.823 0.006 0.000 1.056 221 V HN 0.433 nan 8.190 nan 0.000 0.436 222 Q N 0.495 120.307 119.800 0.020 0.000 2.721 222 Q HA 0.509 4.849 4.340 0.000 0.000 0.282 222 Q C -1.071 174.969 176.000 0.066 0.000 0.932 222 Q CA -0.437 55.393 55.803 0.046 0.000 0.816 222 Q CB 1.707 30.446 28.738 0.002 0.000 1.506 222 Q HN 1.123 nan 8.270 nan 0.000 0.399 223 T N -0.179 114.439 114.554 0.106 0.000 2.874 223 T HA 0.534 4.884 4.350 0.000 0.000 0.281 223 T C -0.148 174.626 174.700 0.124 0.000 0.994 223 T CA -0.640 61.520 62.100 0.100 0.000 1.015 223 T CB 0.627 69.563 68.868 0.114 0.000 1.028 223 T HN 0.574 nan 8.240 nan 0.000 0.523 224 N N 2.062 120.814 118.700 0.088 0.000 2.707 224 N HA 0.221 4.961 4.740 0.000 0.000 0.249 224 N C -1.783 173.749 175.510 0.037 0.000 1.299 224 N CA -0.424 52.670 53.050 0.074 0.000 0.769 224 N CB 1.266 39.760 38.487 0.011 0.000 1.236 224 N HN 0.601 nan 8.380 nan 0.000 0.524 225 D N 0.927 121.393 120.400 0.110 0.000 2.256 225 D HA 0.285 4.925 4.640 0.000 0.000 0.240 225 D C 0.152 176.514 176.300 0.104 0.000 1.062 225 D CA -0.216 53.830 54.000 0.077 0.000 0.832 225 D CB 2.603 43.472 40.800 0.116 0.000 1.135 225 D HN -0.030 nan 8.370 nan 0.000 0.484 226 V N 3.301 123.195 119.914 -0.034 0.000 2.481 226 V HA 0.240 4.360 4.120 0.000 0.000 0.286 226 V C 1.291 177.550 176.094 0.275 0.000 1.042 226 V CA -0.431 61.863 62.300 -0.010 0.000 0.928 226 V CB 1.641 33.141 31.823 -0.537 0.000 0.986 226 V HN 0.481 nan 8.190 nan 0.000 0.462 227 L N 2.970 124.421 121.223 0.380 0.000 2.537 227 L HA 0.300 4.640 4.340 0.000 0.000 0.224 227 L C 0.738 177.803 176.870 0.325 0.000 1.065 227 L CA 0.367 55.431 54.840 0.373 0.000 0.860 227 L CB 0.468 42.667 42.059 0.234 0.000 1.086 227 L HN 0.807 nan 8.230 nan 0.000 0.482 228 S N -2.227 113.703 115.700 0.383 0.000 2.588 228 S HA 0.588 5.058 4.470 0.000 0.000 0.269 228 S C -2.151 172.830 174.600 0.635 0.000 1.157 228 S CA -0.684 57.655 58.200 0.231 0.000 0.824 228 S CB 2.450 65.773 63.200 0.205 0.000 1.126 228 S HN 0.146 nan 8.310 nan 0.000 0.464 229 W N 1.824 123.373 121.300 0.416 0.000 3.827 229 W HA 0.643 5.303 4.660 0.000 0.000 0.307 229 W C -1.439 175.475 176.519 0.658 0.000 1.204 229 W CA -0.206 57.570 57.345 0.718 0.000 1.250 229 W CB 1.411 31.512 29.460 1.070 0.000 1.281 229 W HN 1.291 nan 8.180 nan 0.000 0.494 230 S N 4.510 120.553 115.700 0.571 0.000 2.570 230 S HA 0.907 5.378 4.470 0.000 0.000 0.286 230 S C -1.556 172.948 174.600 -0.160 0.000 1.099 230 S CA -0.625 57.634 58.200 0.098 0.000 0.913 230 S CB 2.814 66.073 63.200 0.098 0.000 1.085 230 S HN 0.698 nan 8.310 nan 0.000 0.480 231 F N 0.493 119.915 119.950 -0.880 0.000 2.641 231 F HA 0.719 5.246 4.527 0.000 0.000 0.308 231 F C -1.319 174.044 175.800 -0.729 0.000 1.105 231 F CA -0.388 57.072 58.000 -0.901 0.000 0.964 231 F CB 1.815 39.880 39.000 -1.559 0.000 1.294 231 F HN 0.948 nan 8.300 nan 0.000 0.442 232 E N 3.228 122.611 120.200 -1.363 0.000 2.343 232 E HA 0.539 4.889 4.350 0.000 0.000 0.286 232 E C -2.048 173.946 176.600 -1.011 0.000 0.915 232 E CA -0.530 55.329 56.400 -0.903 0.000 0.784 232 E CB 1.782 31.207 29.700 -0.457 0.000 1.251 232 E HN 0.727 nan 8.360 nan 0.000 0.407 233 S N 3.312 118.579 115.700 -0.722 0.000 2.570 233 S HA 0.706 5.176 4.470 0.000 0.000 0.286 233 S C -0.896 173.606 174.600 -0.163 0.000 1.099 233 S CA -0.968 56.965 58.200 -0.445 0.000 0.913 233 S CB 1.746 64.590 63.200 -0.593 0.000 1.085 233 S HN 0.507 nan 8.310 nan 0.000 0.480 234 N N 0.379 119.055 118.700 -0.041 0.000 2.478 234 N HA 0.480 5.220 4.740 0.000 0.000 0.291 234 N C -2.073 173.471 175.510 0.055 0.000 1.090 234 N CA -0.511 52.539 53.050 0.001 0.000 0.911 234 N CB 1.562 40.034 38.487 -0.024 0.000 1.546 234 N HN 0.711 nan 8.380 nan 0.000 0.500 235 L N 5.167 126.424 121.223 0.057 0.000 2.295 235 L HA 0.710 5.050 4.340 0.000 0.000 0.281 235 L C -2.497 174.398 176.870 0.042 0.000 1.018 235 L CA -1.858 53.019 54.840 0.062 0.000 0.841 235 L CB 0.969 43.047 42.059 0.031 0.000 1.218 235 L HN 0.505 nan 8.230 nan 0.000 0.424 236 P HA 0.193 nan 4.420 nan 0.000 0.266 236 P C -0.023 177.298 177.300 0.035 0.000 1.195 236 P CA 0.071 63.191 63.100 0.033 0.000 0.768 236 P CB 0.628 32.347 31.700 0.031 0.000 0.838 237 G N 0.000 108.818 108.800 0.030 0.000 5.446 237 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 237 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 237 G CA 0.000 45.119 45.100 0.032 0.000 0.502 237 G HN 0.000 nan 8.290 nan 0.000 0.925