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 1lqa_1_B DATA FIRST_RESID 1 DATA SEQUENCE MQYHRIPHSS LEVSTLGLGT MTFGEQNSEA DAHAQLDYAV AQGINLIDVA DATA SEQUENCE EMYPVPPRPE TQGLTETYVG NWLAKHGSRE KLIIASKVSG PSRNNDKGIR DATA SEQUENCE PDQALDRKNI REALHDSLKR LQTDYLDLYQ VHWPQRPTNC FGKLGYSWTD DATA SEQUENCE SAPAVSLLDT LDALAEYQRA GKIRYIGVSN ETAFGVMRYL HLADKHDLPR DATA SEQUENCE IVTIQNPYSL LNRSFEVGLA EVSQYEGVEL LAYSCLGFGT LTGKYLNGAK DATA SEQUENCE PAGARNTLFS RFTRYSGEQT QKAVAAYVDI ARRHGLDPAQ MALAFVRRQP DATA SEQUENCE FVASTLLGAT TMDQLKTNIE SLHLELSEDV LAEIEAVHQV YTYPAP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.159 176.300 -0.235 0.000 1.140 1 M CA 0.000 55.195 55.300 -0.174 0.000 0.988 1 M CB 0.000 32.450 32.600 -0.250 0.000 1.302 2 Q N 2.161 121.732 119.800 -0.381 0.000 2.266 2 Q HA 0.662 5.003 4.340 0.002 0.000 0.261 2 Q C -1.639 174.023 176.000 -0.563 0.000 0.985 2 Q CA -0.151 55.491 55.803 -0.269 0.000 0.873 2 Q CB 1.761 30.403 28.738 -0.160 0.000 1.306 2 Q HN 0.765 nan 8.270 nan 0.000 0.447 3 Y N -0.332 119.970 120.300 0.004 0.000 2.570 3 Y HA 0.457 5.008 4.550 0.001 0.000 0.345 3 Y C -0.284 175.655 175.900 0.065 0.000 1.014 3 Y CA -0.861 57.251 58.100 0.020 0.000 1.063 3 Y CB 1.846 40.306 38.460 0.000 0.000 1.272 3 Y HN 0.634 nan 8.280 nan 0.000 0.477 4 H N 0.854 119.976 119.070 0.088 0.000 2.759 4 H HA 0.534 5.091 4.556 0.001 0.000 0.354 4 H C -1.253 174.082 175.328 0.012 0.000 1.074 4 H CA -1.110 54.948 56.048 0.018 0.000 1.226 4 H CB 1.087 30.826 29.762 -0.038 0.000 1.648 4 H HN 0.614 nan 8.280 nan 0.000 0.529 5 R N 5.111 125.246 120.500 -0.607 0.000 2.234 5 R HA 0.303 4.644 4.340 0.002 0.000 0.324 5 R C -0.092 175.866 176.300 -0.570 0.000 1.054 5 R CA -0.534 55.308 56.100 -0.430 0.000 0.912 5 R CB 0.711 30.843 30.300 -0.279 0.000 1.030 5 R HN 0.548 nan 8.270 nan 0.000 0.455 6 I N 5.673 126.069 120.570 -0.290 0.000 2.556 6 I HA 0.085 4.256 4.170 0.002 0.000 0.284 6 I C -1.805 174.223 176.117 -0.148 0.000 1.114 6 I CA -1.950 59.254 61.300 -0.160 0.000 1.418 6 I CB 0.765 38.697 38.000 -0.113 0.000 1.394 6 I HN 0.232 nan 8.210 nan 0.000 0.552 7 P HA -0.033 nan 4.420 nan 0.000 0.266 7 P C -0.754 176.503 177.300 -0.072 0.000 1.193 7 P CA 0.283 63.292 63.100 -0.151 0.000 0.770 7 P CB 0.107 31.735 31.700 -0.119 0.000 0.836 8 H N -0.646 118.420 119.070 -0.005 0.000 2.591 8 H HA -0.045 4.512 4.556 0.002 0.000 0.325 8 H C 0.205 175.563 175.328 0.049 0.000 1.096 8 H CA 1.047 57.113 56.048 0.031 0.000 1.108 8 H CB -1.811 27.982 29.762 0.052 0.000 1.590 8 H HN 0.562 nan 8.280 nan 0.000 0.399 9 S N -1.696 114.055 115.700 0.085 0.000 2.683 9 S HA 0.413 4.884 4.470 0.002 0.000 0.264 9 S C 0.560 175.168 174.600 0.013 0.000 1.066 9 S CA -0.459 57.774 58.200 0.055 0.000 0.846 9 S CB 0.843 63.782 63.200 -0.435 0.000 1.114 9 S HN 0.618 nan 8.310 nan 0.000 0.476 10 S N -0.123 115.609 115.700 0.053 0.000 2.593 10 S HA 0.397 4.868 4.470 0.002 0.000 0.236 10 S C 0.115 174.692 174.600 -0.038 0.000 0.991 10 S CA -0.531 57.689 58.200 0.034 0.000 0.963 10 S CB -0.617 62.652 63.200 0.114 0.000 0.865 10 S HN 0.643 nan 8.310 nan 0.000 0.488 11 L N 2.400 123.517 121.223 -0.177 0.000 2.361 11 L HA 0.408 4.749 4.340 0.002 0.000 0.278 11 L C 0.341 177.153 176.870 -0.098 0.000 1.113 11 L CA 0.103 54.850 54.840 -0.154 0.000 0.849 11 L CB 0.757 42.646 42.059 -0.283 0.000 1.155 11 L HN 0.381 nan 8.230 nan 0.000 0.452 12 E N 4.043 124.225 120.200 -0.031 0.000 2.207 12 E HA 0.348 4.699 4.350 0.002 0.000 0.250 12 E C -1.011 175.651 176.600 0.104 0.000 0.890 12 E CA -0.653 55.748 56.400 0.002 0.000 0.749 12 E CB 1.480 31.168 29.700 -0.019 0.000 1.193 12 E HN 0.418 nan 8.360 nan 0.000 0.423 13 V N 1.901 121.886 119.914 0.119 0.000 2.539 13 V HA 0.521 4.642 4.120 0.002 0.000 0.292 13 V C 0.389 176.581 176.094 0.163 0.000 1.045 13 V CA -0.853 61.532 62.300 0.140 0.000 0.945 13 V CB 1.317 33.184 31.823 0.073 0.000 0.993 13 V HN 0.647 nan 8.190 nan 0.000 0.464 14 S N 2.345 118.107 115.700 0.103 0.000 2.568 14 S HA 0.055 4.526 4.470 0.002 0.000 0.282 14 S C 1.032 175.526 174.600 -0.177 0.000 1.338 14 S CA 0.395 58.456 58.200 -0.233 0.000 1.045 14 S CB 0.676 63.749 63.200 -0.211 0.000 0.873 14 S HN 0.903 nan 8.310 nan 0.000 0.516 15 T N 1.746 116.141 114.554 -0.265 0.000 2.915 15 T HA 0.091 4.442 4.350 0.002 0.000 0.269 15 T C 0.484 175.088 174.700 -0.160 0.000 1.071 15 T CA 0.906 62.893 62.100 -0.189 0.000 1.132 15 T CB -0.509 68.229 68.868 -0.216 0.000 0.878 15 T HN 0.468 nan 8.240 nan 0.000 0.479 16 L N 0.693 121.821 121.223 -0.159 0.000 2.329 16 L HA 0.686 5.027 4.340 0.002 0.000 0.279 16 L C 0.500 177.326 176.870 -0.073 0.000 1.014 16 L CA -1.044 53.732 54.840 -0.107 0.000 0.814 16 L CB 1.866 43.864 42.059 -0.103 0.000 1.257 16 L HN 0.047 nan 8.230 nan 0.000 0.424 17 G N 1.741 110.517 108.800 -0.040 0.000 2.511 17 G HA2 0.627 4.588 3.960 0.002 0.000 0.318 17 G HA3 0.627 4.588 3.960 0.002 0.000 0.318 17 G C -1.765 173.129 174.900 -0.010 0.000 1.210 17 G CA -0.583 44.508 45.100 -0.016 0.000 0.969 17 G HN 0.372 nan 8.290 nan 0.000 0.484 18 L N 1.608 122.827 121.223 -0.006 0.000 2.276 18 L HA 0.694 5.035 4.340 0.002 0.000 0.286 18 L C 0.749 177.587 176.870 -0.054 0.000 1.024 18 L CA -0.288 54.542 54.840 -0.016 0.000 0.826 18 L CB 0.812 42.870 42.059 -0.002 0.000 1.211 18 L HN 0.628 nan 8.230 nan 0.000 0.422 19 G N 1.994 110.744 108.800 -0.083 0.000 2.537 19 G HA2 0.442 4.403 3.960 0.002 0.000 0.273 19 G HA3 0.442 4.403 3.960 0.002 0.000 0.273 19 G C 0.307 174.979 174.900 -0.381 0.000 1.189 19 G CA 0.303 45.315 45.100 -0.147 0.000 0.881 19 G HN 0.766 nan 8.290 nan 0.000 0.535 20 T N -1.441 112.805 114.554 -0.514 0.000 3.328 20 T HA 0.069 4.420 4.350 0.002 0.000 0.305 20 T C 1.715 175.900 174.700 -0.858 0.000 0.939 20 T CA 0.398 61.807 62.100 -1.152 0.000 0.950 20 T CB -0.345 68.073 68.868 -0.750 0.000 1.182 20 T HN 0.569 nan 8.240 nan 0.000 0.545 21 M N 1.514 120.709 119.600 -0.674 0.000 2.632 21 M HA 0.072 4.553 4.480 0.002 0.000 0.256 21 M C 1.689 177.746 176.300 -0.404 0.000 1.080 21 M CA 1.610 56.419 55.300 -0.817 0.000 1.084 21 M CB -0.931 30.863 32.600 -1.343 0.000 1.439 21 M HN 0.230 nan 8.290 nan 0.000 0.509 22 T N -2.523 111.883 114.554 -0.245 0.000 3.107 22 T HA 0.187 4.538 4.350 0.002 0.000 0.249 22 T C 0.164 175.014 174.700 0.250 0.000 1.096 22 T CA -0.463 61.638 62.100 0.000 0.000 1.012 22 T CB -0.371 68.536 68.868 0.064 0.000 0.977 22 T HN 0.255 nan 8.240 nan 0.000 0.527 23 F N 2.691 122.650 119.950 0.015 0.000 2.487 23 F HA 0.547 5.075 4.527 0.002 0.000 0.364 23 F C 1.687 177.504 175.800 0.028 0.000 1.126 23 F CA -0.350 57.721 58.000 0.118 0.000 1.135 23 F CB -0.143 38.959 39.000 0.172 0.000 1.127 23 F HN 0.398 nan 8.300 nan 0.000 0.559 24 G N 2.454 111.435 108.800 0.302 0.000 2.211 24 G HA2 -0.249 3.712 3.960 0.002 0.000 0.201 24 G HA3 -0.249 3.712 3.960 0.002 0.000 0.201 24 G C 0.652 175.621 174.900 0.115 0.000 0.997 24 G CA 0.414 45.561 45.100 0.077 0.000 0.652 24 G HN 0.518 nan 8.290 nan 0.000 0.500 25 E N -0.067 120.220 120.200 0.144 0.000 2.872 25 E HA 0.336 4.687 4.350 0.002 0.000 0.221 25 E C 2.185 178.898 176.600 0.188 0.000 1.119 25 E CA 0.937 57.423 56.400 0.142 0.000 1.048 25 E CB -0.528 29.224 29.700 0.086 0.000 2.574 25 E HN 0.228 nan 8.360 nan 0.000 0.568 26 Q N -0.035 119.887 119.800 0.205 0.000 2.167 26 Q HA 0.070 4.411 4.340 0.002 0.000 0.202 26 Q C -0.153 175.931 176.000 0.141 0.000 0.970 26 Q CA 0.878 56.792 55.803 0.185 0.000 0.855 26 Q CB -0.044 28.802 28.738 0.179 0.000 0.911 26 Q HN 0.156 nan 8.270 nan 0.000 0.438 27 N N 0.243 119.047 118.700 0.173 0.000 2.430 27 N HA 0.152 4.893 4.740 0.002 0.000 0.292 27 N C -0.882 174.711 175.510 0.137 0.000 1.051 27 N CA -0.385 52.743 53.050 0.129 0.000 0.917 27 N CB 1.580 40.154 38.487 0.145 0.000 1.164 27 N HN 0.055 nan 8.380 nan 0.000 0.484 28 S N 0.273 115.991 115.700 0.031 0.000 2.634 28 S HA 0.084 4.555 4.470 0.002 0.000 0.261 28 S C 1.088 175.559 174.600 -0.215 0.000 1.271 28 S CA -0.512 57.675 58.200 -0.022 0.000 0.985 28 S CB 1.229 64.377 63.200 -0.086 0.000 0.968 28 S HN 0.739 nan 8.310 nan 0.000 0.568 29 E N 0.634 120.485 120.200 -0.581 0.000 2.077 29 E HA -0.143 4.208 4.350 0.002 0.000 0.193 29 E C 2.169 178.372 176.600 -0.661 0.000 0.989 29 E CA 1.147 56.922 56.400 -1.042 0.000 0.800 29 E CB -0.618 28.280 29.700 -1.336 0.000 0.746 29 E HN 0.801 nan 8.360 nan 0.000 0.452 30 A N 1.259 123.807 122.820 -0.453 0.000 1.908 30 A HA -0.233 4.088 4.320 0.002 0.000 0.218 30 A C 1.789 179.237 177.584 -0.227 0.000 1.181 30 A CA 1.912 53.763 52.037 -0.310 0.000 0.627 30 A CB -0.530 18.355 19.000 -0.192 0.000 0.818 30 A HN 0.279 nan 8.150 nan 0.000 0.445 31 D N 0.150 120.411 120.400 -0.232 0.000 2.097 31 D HA -0.075 4.566 4.640 0.002 0.000 0.195 31 D C 2.298 178.379 176.300 -0.364 0.000 0.989 31 D CA 1.612 55.480 54.000 -0.220 0.000 0.827 31 D CB -0.582 40.110 40.800 -0.180 0.000 0.966 31 D HN 0.416 nan 8.370 nan 0.000 0.456 32 A N 0.845 123.324 122.820 -0.567 0.000 1.865 32 A HA -0.241 4.080 4.320 0.002 0.000 0.217 32 A C 1.952 179.276 177.584 -0.434 0.000 1.191 32 A CA 1.670 53.100 52.037 -1.012 0.000 0.623 32 A CB -1.168 17.358 19.000 -0.790 0.000 0.826 32 A HN 0.428 nan 8.150 nan 0.000 0.444 33 H N -0.958 117.910 119.070 -0.336 0.000 2.421 33 H HA -0.042 4.515 4.556 0.002 0.000 0.298 33 H C 2.500 177.744 175.328 -0.141 0.000 1.087 33 H CA 0.649 56.596 56.048 -0.169 0.000 1.330 33 H CB 0.005 29.842 29.762 0.124 0.000 1.388 33 H HN 0.588 nan 8.280 nan 0.000 0.526 34 A N 1.165 123.986 122.820 0.000 0.000 1.930 34 A HA -0.188 4.133 4.320 0.002 0.000 0.217 34 A C 2.262 179.838 177.584 -0.014 0.000 1.175 34 A CA 1.278 53.316 52.037 0.003 0.000 0.627 34 A CB -0.333 18.648 19.000 -0.032 0.000 0.815 34 A HN 0.430 nan 8.150 nan 0.000 0.443 35 Q N -0.571 119.177 119.800 -0.087 0.000 2.079 35 Q HA -0.073 4.268 4.340 0.002 0.000 0.200 35 Q C 2.111 178.087 176.000 -0.040 0.000 0.974 35 Q CA 1.317 57.116 55.803 -0.006 0.000 0.840 35 Q CB -0.291 28.480 28.738 0.054 0.000 0.898 35 Q HN 0.677 nan 8.270 nan 0.000 0.430 36 L N 0.774 121.831 121.223 -0.276 0.000 2.017 36 L HA -0.222 4.119 4.340 0.002 0.000 0.208 36 L C 1.955 178.643 176.870 -0.304 0.000 1.073 36 L CA 1.035 55.511 54.840 -0.606 0.000 0.745 36 L CB -0.430 40.596 42.059 -1.722 0.000 0.894 36 L HN 0.149 nan 8.230 nan 0.000 0.432 37 D N -0.795 119.546 120.400 -0.097 0.000 2.116 37 D HA -0.265 4.376 4.640 0.002 0.000 0.193 37 D C 1.944 178.306 176.300 0.103 0.000 0.998 37 D CA 1.539 55.614 54.000 0.126 0.000 0.836 37 D CB -0.279 40.589 40.800 0.114 0.000 0.951 37 D HN 0.296 nan 8.370 nan 0.000 0.449 38 Y N 1.324 121.617 120.300 -0.011 0.000 2.181 38 Y HA -0.138 4.413 4.550 0.002 0.000 0.288 38 Y C 2.261 178.167 175.900 0.009 0.000 1.146 38 Y CA 1.620 59.722 58.100 0.003 0.000 1.164 38 Y CB -0.419 38.039 38.460 -0.004 0.000 0.982 38 Y HN -0.047 nan 8.280 nan 0.000 0.515 39 A N -0.732 122.103 122.820 0.025 0.000 1.877 39 A HA -0.169 4.152 4.320 0.002 0.000 0.216 39 A C 2.324 179.864 177.584 -0.073 0.000 1.186 39 A CA 2.129 54.139 52.037 -0.046 0.000 0.620 39 A CB -1.324 17.681 19.000 0.008 0.000 0.822 39 A HN 0.314 nan 8.150 nan 0.000 0.443 40 V N -0.239 119.674 119.914 -0.002 0.000 2.515 40 V HA -0.191 3.929 4.120 0.002 0.000 0.250 40 V C 2.949 179.041 176.094 -0.003 0.000 1.058 40 V CA 1.696 64.030 62.300 0.058 0.000 1.064 40 V CB -1.045 30.898 31.823 0.200 0.000 0.675 40 V HN 0.609 nan 8.190 nan 0.000 0.461 41 A N -1.023 121.755 122.820 -0.071 0.000 2.067 41 A HA -0.159 4.162 4.320 0.002 0.000 0.219 41 A C 2.015 179.499 177.584 -0.167 0.000 1.158 41 A CA 1.054 53.028 52.037 -0.106 0.000 0.661 41 A CB -0.236 18.694 19.000 -0.118 0.000 0.801 41 A HN 0.511 nan 8.150 nan 0.000 0.452 42 Q N -1.457 118.186 119.800 -0.262 0.000 2.360 42 Q HA 0.203 4.544 4.340 0.002 0.000 0.202 42 Q C 1.143 177.091 176.000 -0.087 0.000 0.915 42 Q CA 0.724 56.390 55.803 -0.228 0.000 0.943 42 Q CB 0.376 28.897 28.738 -0.362 0.000 1.064 42 Q HN 0.932 nan 8.270 nan 0.000 0.511 43 G N 0.956 109.743 108.800 -0.022 0.000 2.176 43 G HA2 -0.243 3.718 3.960 0.002 0.000 0.232 43 G HA3 -0.243 3.718 3.960 0.002 0.000 0.232 43 G C 0.286 175.246 174.900 0.101 0.000 0.986 43 G CA -0.252 44.903 45.100 0.091 0.000 0.643 43 G HN 0.340 nan 8.290 nan 0.000 0.522 44 I N 1.794 122.373 120.570 0.015 0.000 2.648 44 I HA 0.122 4.293 4.170 0.002 0.000 0.284 44 I C 1.279 177.454 176.117 0.097 0.000 1.153 44 I CA 0.650 61.963 61.300 0.021 0.000 1.426 44 I CB 0.719 38.712 38.000 -0.012 0.000 1.381 44 I HN 0.381 nan 8.210 nan 0.000 0.571 45 N N 5.749 124.526 118.700 0.129 0.000 2.159 45 N HA 0.079 4.820 4.740 0.002 0.000 0.217 45 N C -0.463 175.117 175.510 0.117 0.000 1.223 45 N CA -0.297 52.841 53.050 0.147 0.000 0.896 45 N CB 0.337 38.936 38.487 0.186 0.000 1.064 45 N HN 0.399 nan 8.380 nan 0.000 0.518 46 L N 1.244 122.517 121.223 0.083 0.000 2.287 46 L HA 0.627 4.967 4.340 0.002 0.000 0.287 46 L C -1.214 175.686 176.870 0.049 0.000 1.022 46 L CA -0.655 54.225 54.840 0.066 0.000 0.814 46 L CB 0.851 42.938 42.059 0.047 0.000 1.217 46 L HN 0.045 nan 8.230 nan 0.000 0.420 47 I N 4.212 124.816 120.570 0.057 0.000 2.466 47 I HA 0.337 4.508 4.170 0.002 0.000 0.289 47 I C -1.128 175.011 176.117 0.038 0.000 1.026 47 I CA -0.553 60.769 61.300 0.038 0.000 1.078 47 I CB 2.025 40.057 38.000 0.054 0.000 1.249 47 I HN 0.574 nan 8.210 nan 0.000 0.429 48 D N 6.291 126.702 120.400 0.019 0.000 2.344 48 D HA 0.611 5.252 4.640 0.002 0.000 0.239 48 D C -0.660 175.674 176.300 0.056 0.000 1.064 48 D CA -0.364 53.655 54.000 0.031 0.000 0.829 48 D CB 1.547 42.368 40.800 0.035 0.000 1.129 48 D HN 0.321 nan 8.370 nan 0.000 0.506 49 V N 0.597 120.533 119.914 0.036 0.000 3.119 49 V HA 1.064 5.185 4.120 0.002 0.000 0.311 49 V C -0.797 175.133 176.094 -0.273 0.000 1.259 49 V CA -0.721 61.598 62.300 0.032 0.000 1.067 49 V CB 1.079 32.929 31.823 0.045 0.000 1.123 49 V HN 0.761 nan 8.190 nan 0.000 0.463 50 A N -0.368 122.125 122.820 -0.546 0.000 2.601 50 A HA 0.675 4.996 4.320 0.002 0.000 0.291 50 A C 0.220 177.587 177.584 -0.362 0.000 1.075 50 A CA 0.075 51.715 52.037 -0.662 0.000 0.671 50 A CB 1.328 19.537 19.000 -1.319 0.000 1.277 50 A HN 1.235 nan 8.150 nan 0.000 0.417 51 E N 0.237 120.332 120.200 -0.175 0.000 2.204 51 E HA -0.207 4.144 4.350 0.002 0.000 0.194 51 E C 1.453 178.037 176.600 -0.027 0.000 0.989 51 E CA 1.569 57.934 56.400 -0.058 0.000 0.824 51 E CB -0.617 29.077 29.700 -0.009 0.000 0.756 51 E HN 0.770 nan 8.360 nan 0.000 0.477 52 M N -0.883 118.701 119.600 -0.026 0.000 2.561 52 M HA 0.194 4.675 4.480 0.002 0.000 0.238 52 M C -0.363 176.069 176.300 0.220 0.000 1.131 52 M CA 0.085 55.445 55.300 0.100 0.000 1.046 52 M CB 0.099 32.807 32.600 0.181 0.000 1.532 52 M HN -0.198 nan 8.290 nan 0.000 0.497 53 Y N 2.833 123.168 120.300 0.057 0.000 2.300 53 Y HA 0.524 5.075 4.550 0.002 0.000 0.328 53 Y C -2.192 173.695 175.900 -0.020 0.000 1.270 53 Y CA -3.483 54.625 58.100 0.014 0.000 1.352 53 Y CB -0.225 38.231 38.460 -0.007 0.000 1.286 53 Y HN 0.087 nan 8.280 nan 0.000 0.536 54 P HA 0.306 nan 4.420 nan 0.000 0.279 54 P C -0.872 176.436 177.300 0.012 0.000 1.276 54 P CA -0.346 62.785 63.100 0.052 0.000 0.801 54 P CB 1.624 33.331 31.700 0.012 0.000 1.127 55 V N -4.473 115.387 119.914 -0.089 0.000 2.815 55 V HA 0.630 4.751 4.120 0.002 0.000 0.314 55 V C -2.755 173.245 176.094 -0.156 0.000 1.064 55 V CA -3.159 59.092 62.300 -0.081 0.000 0.952 55 V CB 0.927 32.731 31.823 -0.030 0.000 1.020 55 V HN 0.309 nan 8.190 nan 0.000 0.439 56 P HA 0.332 nan 4.420 nan 0.000 0.271 56 P C -2.684 174.496 177.300 -0.200 0.000 1.216 56 P CA -1.069 61.839 63.100 -0.320 0.000 0.776 56 P CB -0.147 31.207 31.700 -0.577 0.000 0.881 57 P HA 0.248 nan 4.420 nan 0.000 0.279 57 P C -0.627 176.633 177.300 -0.066 0.000 1.239 57 P CA -0.138 62.926 63.100 -0.059 0.000 0.789 57 P CB 0.990 32.678 31.700 -0.021 0.000 0.933 58 R N 1.735 122.217 120.500 -0.031 0.000 2.680 58 R HA 0.501 4.842 4.340 0.002 0.000 0.269 58 R C -2.617 173.682 176.300 -0.002 0.000 1.026 58 R CA -1.853 54.234 56.100 -0.022 0.000 0.889 58 R CB 0.305 30.589 30.300 -0.026 0.000 1.241 58 R HN -0.012 nan 8.270 nan 0.000 0.463 59 P HA -0.171 nan 4.420 nan 0.000 0.216 59 P C 0.294 177.600 177.300 0.011 0.000 1.150 59 P CA 1.332 64.437 63.100 0.008 0.000 0.843 59 P CB 0.213 31.917 31.700 0.007 0.000 0.787 60 E N -1.321 118.885 120.200 0.010 0.000 2.204 60 E HA -0.108 4.243 4.350 0.002 0.000 0.195 60 E C 1.617 178.227 176.600 0.016 0.000 0.990 60 E CA 1.754 58.163 56.400 0.015 0.000 0.821 60 E CB -0.873 28.837 29.700 0.018 0.000 0.750 60 E HN 0.417 nan 8.360 nan 0.000 0.477 61 T N -2.737 111.824 114.554 0.011 0.000 3.010 61 T HA 0.052 4.403 4.350 0.002 0.000 0.257 61 T C 0.853 175.553 174.700 -0.000 0.000 1.020 61 T CA -0.510 61.593 62.100 0.004 0.000 0.938 61 T CB 0.207 69.078 68.868 0.005 0.000 1.049 61 T HN -0.087 nan 8.240 nan 0.000 0.522 62 Q N 1.684 121.492 119.800 0.012 0.000 2.283 62 Q HA 0.234 4.575 4.340 0.002 0.000 0.301 62 Q C 1.384 177.392 176.000 0.013 0.000 1.063 62 Q CA 1.745 57.561 55.803 0.023 0.000 0.952 62 Q CB -0.059 28.694 28.738 0.026 0.000 1.166 62 Q HN 0.750 nan 8.270 nan 0.000 0.381 63 G N 3.607 112.417 108.800 0.016 0.000 2.195 63 G HA2 -0.286 3.675 3.960 0.002 0.000 0.246 63 G HA3 -0.286 3.675 3.960 0.002 0.000 0.246 63 G C 0.491 175.373 174.900 -0.031 0.000 0.984 63 G CA 0.251 45.354 45.100 0.006 0.000 0.633 63 G HN 0.573 nan 8.290 nan 0.000 0.525 64 L N 1.491 122.660 121.223 -0.090 0.000 2.083 64 L HA 0.054 4.395 4.340 0.002 0.000 0.209 64 L C 2.952 179.587 176.870 -0.392 0.000 1.083 64 L CA 3.003 57.676 54.840 -0.278 0.000 0.752 64 L CB -1.242 40.593 42.059 -0.373 0.000 0.899 64 L HN 0.393 nan 8.230 nan 0.000 0.433 65 T N -0.910 113.552 114.554 -0.154 0.000 2.652 65 T HA -0.218 4.133 4.350 0.002 0.000 0.267 65 T C 1.743 176.514 174.700 0.117 0.000 1.039 65 T CA 1.663 63.779 62.100 0.026 0.000 1.153 65 T CB -0.157 68.809 68.868 0.162 0.000 0.863 65 T HN 0.409 nan 8.240 nan 0.000 0.428 66 E N 0.356 120.606 120.200 0.084 0.000 2.077 66 E HA -0.116 4.235 4.350 0.002 0.000 0.193 66 E C 2.479 179.161 176.600 0.137 0.000 0.989 66 E CA 1.361 57.822 56.400 0.102 0.000 0.800 66 E CB -0.216 29.517 29.700 0.054 0.000 0.746 66 E HN 0.378 nan 8.360 nan 0.000 0.452 67 T N 0.404 115.022 114.554 0.108 0.000 2.746 67 T HA -0.162 4.189 4.350 0.002 0.000 0.267 67 T C 1.462 176.373 174.700 0.353 0.000 1.039 67 T CA 1.063 63.268 62.100 0.175 0.000 1.142 67 T CB -0.265 68.681 68.868 0.131 0.000 0.866 67 T HN 0.185 nan 8.240 nan 0.000 0.444 68 Y N 0.951 121.377 120.300 0.209 0.000 2.200 68 Y HA -0.024 4.527 4.550 0.002 0.000 0.290 68 Y C 2.628 178.727 175.900 0.331 0.000 1.137 68 Y CA -0.487 57.783 58.100 0.284 0.000 1.163 68 Y CB -1.260 37.353 38.460 0.255 0.000 0.988 68 Y HN 0.049 nan 8.280 nan 0.000 0.518 69 V N -0.425 119.755 119.914 0.444 0.000 2.358 69 V HA -0.218 3.903 4.120 0.002 0.000 0.246 69 V C 2.608 178.907 176.094 0.342 0.000 1.047 69 V CA 1.790 64.308 62.300 0.364 0.000 1.035 69 V CB -1.404 30.590 31.823 0.284 0.000 0.658 69 V HN 0.479 nan 8.190 nan 0.000 0.452 70 G N 0.342 109.296 108.800 0.256 0.000 2.440 70 G HA2 -0.286 3.675 3.960 0.002 0.000 0.218 70 G HA3 -0.286 3.675 3.960 0.002 0.000 0.218 70 G C 1.433 176.434 174.900 0.168 0.000 1.154 70 G CA 1.020 46.226 45.100 0.176 0.000 0.767 70 G HN 0.520 nan 8.290 nan 0.000 0.552 71 N N -0.357 118.484 118.700 0.235 0.000 2.188 71 N HA -0.096 4.645 4.740 0.002 0.000 0.184 71 N C 1.677 177.266 175.510 0.131 0.000 1.018 71 N CA 1.043 54.218 53.050 0.208 0.000 0.858 71 N CB -0.423 38.257 38.487 0.322 0.000 0.989 71 N HN 0.649 nan 8.380 nan 0.000 0.426 72 W N 1.770 122.978 121.300 -0.154 0.000 2.381 72 W HA 0.029 4.690 4.660 0.002 0.000 0.301 72 W C 1.846 178.316 176.519 -0.083 0.000 1.205 72 W CA 0.814 57.940 57.345 -0.366 0.000 1.285 72 W CB -0.393 28.700 29.460 -0.611 0.000 1.133 72 W HN -0.049 nan 8.180 nan 0.000 0.521 73 L N 0.641 121.868 121.223 0.007 0.000 2.046 73 L HA -0.207 4.134 4.340 0.002 0.000 0.208 73 L C 2.749 179.485 176.870 -0.224 0.000 1.077 73 L CA 1.517 56.246 54.840 -0.185 0.000 0.747 73 L CB -1.292 40.781 42.059 0.024 0.000 0.896 73 L HN 0.126 nan 8.230 nan 0.000 0.432 74 A N -0.222 122.523 122.820 -0.125 0.000 1.933 74 A HA -0.215 4.106 4.320 0.002 0.000 0.218 74 A C 2.326 179.795 177.584 -0.192 0.000 1.175 74 A CA 1.667 53.635 52.037 -0.116 0.000 0.628 74 A CB -0.276 18.694 19.000 -0.050 0.000 0.814 74 A HN 0.316 nan 8.150 nan 0.000 0.444 75 K N -1.444 118.784 120.400 -0.287 0.000 2.044 75 K HA -0.051 4.270 4.320 0.002 0.000 0.204 75 K C 1.856 178.124 176.600 -0.554 0.000 1.049 75 K CA 1.282 57.313 56.287 -0.426 0.000 0.945 75 K CB -0.190 31.970 32.500 -0.567 0.000 0.724 75 K HN 0.570 nan 8.250 nan 0.000 0.440 76 H N -0.396 118.391 119.070 -0.472 0.000 2.544 76 H HA 0.117 4.674 4.556 0.002 0.000 0.269 76 H C 1.223 176.332 175.328 -0.366 0.000 0.970 76 H CA 0.847 56.602 56.048 -0.489 0.000 1.219 76 H CB 0.335 29.618 29.762 -0.799 0.000 1.421 76 H HN 0.373 nan 8.280 nan 0.000 0.555 77 G N 0.683 109.330 108.800 -0.256 0.000 2.601 77 G HA2 -0.337 3.624 3.960 0.002 0.000 0.252 77 G HA3 -0.337 3.624 3.960 0.002 0.000 0.252 77 G C 0.434 175.250 174.900 -0.139 0.000 1.294 77 G CA 0.438 45.442 45.100 -0.159 0.000 0.912 77 G HN 0.318 nan 8.290 nan 0.000 0.574 78 S N -1.620 114.038 115.700 -0.069 0.000 3.581 78 S HA -0.295 4.176 4.470 0.002 0.000 0.354 78 S C 1.806 176.399 174.600 -0.012 0.000 1.059 78 S CA 2.023 60.204 58.200 -0.031 0.000 1.060 78 S CB -0.760 62.426 63.200 -0.023 0.000 0.908 78 S HN 1.689 nan 8.310 nan 0.000 0.475 79 R N 2.605 123.095 120.500 -0.017 0.000 2.127 79 R HA -0.162 4.179 4.340 0.002 0.000 0.238 79 R C 2.009 178.353 176.300 0.075 0.000 1.134 79 R CA 2.216 58.322 56.100 0.010 0.000 0.975 79 R CB -0.384 29.906 30.300 -0.017 0.000 0.865 79 R HN 0.682 nan 8.270 nan 0.000 0.447 80 E N 1.946 122.203 120.200 0.094 0.000 2.338 80 E HA -0.245 4.106 4.350 0.002 0.000 0.197 80 E C 1.128 177.791 176.600 0.105 0.000 1.007 80 E CA 1.665 58.146 56.400 0.135 0.000 0.849 80 E CB -0.206 29.555 29.700 0.102 0.000 0.774 80 E HN 0.746 nan 8.360 nan 0.000 0.506 81 K N 0.731 121.177 120.400 0.078 0.000 2.459 81 K HA 0.121 4.442 4.320 0.002 0.000 0.193 81 K C 0.651 177.308 176.600 0.096 0.000 1.030 81 K CA 0.032 56.360 56.287 0.069 0.000 1.026 81 K CB 0.042 32.571 32.500 0.049 0.000 0.809 81 K HN 0.061 nan 8.250 nan 0.000 0.504 82 L N 1.702 122.996 121.223 0.118 0.000 2.334 82 L HA 0.449 4.790 4.340 0.002 0.000 0.272 82 L C -0.155 176.797 176.870 0.137 0.000 1.020 82 L CA -1.224 53.699 54.840 0.138 0.000 0.812 82 L CB 1.788 43.949 42.059 0.169 0.000 1.264 82 L HN 0.023 nan 8.230 nan 0.000 0.439 83 I N 3.753 124.400 120.570 0.129 0.000 2.306 83 I HA 0.254 4.425 4.170 0.002 0.000 0.288 83 I C -0.504 175.678 176.117 0.109 0.000 1.036 83 I CA -0.338 61.036 61.300 0.125 0.000 1.221 83 I CB 0.902 38.966 38.000 0.107 0.000 1.385 83 I HN 0.272 nan 8.210 nan 0.000 0.472 84 I N 5.751 126.382 120.570 0.101 0.000 2.321 84 I HA 0.479 4.650 4.170 0.002 0.000 0.291 84 I C 0.450 176.615 176.117 0.079 0.000 0.998 84 I CA -0.395 60.951 61.300 0.077 0.000 1.227 84 I CB 1.355 39.379 38.000 0.040 0.000 1.368 84 I HN 0.502 nan 8.210 nan 0.000 0.466 85 A N 4.902 127.765 122.820 0.072 0.000 2.318 85 A HA 0.738 5.059 4.320 0.002 0.000 0.317 85 A C -0.152 177.464 177.584 0.054 0.000 1.159 85 A CA -0.367 51.715 52.037 0.076 0.000 0.799 85 A CB 1.587 20.621 19.000 0.057 0.000 1.194 85 A HN 0.662 nan 8.150 nan 0.000 0.479 86 S N 1.375 117.135 115.700 0.101 0.000 2.841 86 S HA 0.820 5.291 4.470 0.002 0.000 0.318 86 S C -0.823 173.768 174.600 -0.014 0.000 1.127 86 S CA -0.615 57.619 58.200 0.057 0.000 0.883 86 S CB 1.144 64.413 63.200 0.115 0.000 1.271 86 S HN 0.677 nan 8.310 nan 0.000 0.567 87 K N 0.507 120.821 120.400 -0.145 0.000 2.508 87 K HA 0.560 4.881 4.320 0.002 0.000 0.260 87 K C -1.773 174.617 176.600 -0.348 0.000 0.949 87 K CA -0.774 55.278 56.287 -0.392 0.000 0.834 87 K CB 2.072 34.272 32.500 -0.502 0.000 1.365 87 K HN 0.370 nan 8.250 nan 0.000 0.437 88 V N 1.513 121.101 119.914 -0.543 0.000 2.427 88 V HA 0.300 4.421 4.120 0.002 0.000 0.286 88 V C -0.395 175.513 176.094 -0.311 0.000 1.034 88 V CA -0.187 61.917 62.300 -0.326 0.000 0.893 88 V CB 1.652 33.278 31.823 -0.328 0.000 0.982 88 V HN 0.832 nan 8.190 nan 0.000 0.452 89 S N 4.728 120.255 115.700 -0.289 0.000 2.572 89 S HA 0.463 4.934 4.470 0.002 0.000 0.279 89 S C 0.585 174.663 174.600 -0.869 0.000 1.341 89 S CA 0.188 58.008 58.200 -0.633 0.000 1.043 89 S CB 1.197 64.203 63.200 -0.322 0.000 0.887 89 S HN 1.213 nan 8.310 nan 0.000 0.516 90 G N 1.844 109.543 108.800 -1.836 0.000 2.535 90 G HA2 0.458 4.418 3.960 0.002 0.000 0.282 90 G HA3 0.458 4.418 3.960 0.002 0.000 0.282 90 G C -2.885 171.788 174.900 -0.378 0.000 1.350 90 G CA -1.455 42.923 45.100 -1.203 0.000 1.039 90 G HN 0.409 nan 8.290 nan 0.000 0.509 91 P HA 0.122 nan 4.420 nan 0.000 0.267 91 P C 0.650 178.198 177.300 0.415 0.000 1.200 91 P CA 0.020 63.243 63.100 0.204 0.000 0.772 91 P CB 0.819 32.634 31.700 0.191 0.000 0.855 92 S N 1.726 117.573 115.700 0.246 0.000 2.537 92 S HA -0.115 4.356 4.470 0.002 0.000 0.240 92 S C 1.674 176.344 174.600 0.117 0.000 0.981 92 S CA 0.261 58.585 58.200 0.207 0.000 0.948 92 S CB -0.543 62.718 63.200 0.103 0.000 0.759 92 S HN 0.417 nan 8.310 nan 0.000 0.531 93 R N 1.830 122.413 120.500 0.138 0.000 2.323 93 R HA -0.251 4.090 4.340 0.002 0.000 0.259 93 R C 1.519 177.792 176.300 -0.044 0.000 1.104 93 R CA 1.959 58.097 56.100 0.063 0.000 0.961 93 R CB -1.345 29.022 30.300 0.113 0.000 0.929 93 R HN 0.439 nan 8.270 nan 0.000 0.457 94 N N 0.742 119.357 118.700 -0.142 0.000 2.005 94 N HA -0.115 4.626 4.740 0.002 0.000 0.194 94 N C 0.280 175.641 175.510 -0.248 0.000 1.088 94 N CA 1.381 54.217 53.050 -0.357 0.000 0.889 94 N CB -0.266 37.803 38.487 -0.697 0.000 1.069 94 N HN 0.260 nan 8.380 nan 0.000 0.444 95 N N 1.313 119.880 118.700 -0.221 0.000 2.479 95 N HA 0.114 4.855 4.740 0.002 0.000 0.261 95 N C -0.404 175.056 175.510 -0.084 0.000 0.979 95 N CA -0.339 52.615 53.050 -0.161 0.000 0.930 95 N CB 1.606 39.976 38.487 -0.195 0.000 1.172 95 N HN 0.135 nan 8.380 nan 0.000 0.499 96 D N 1.540 121.902 120.400 -0.064 0.000 3.000 96 D HA -0.268 4.373 4.640 0.002 0.000 0.196 96 D C 0.102 176.395 176.300 -0.013 0.000 1.110 96 D CA 1.850 55.831 54.000 -0.032 0.000 0.873 96 D CB -0.116 40.664 40.800 -0.033 0.000 0.948 96 D HN 0.467 nan 8.370 nan 0.000 0.496 97 K N 0.997 121.386 120.400 -0.019 0.000 2.336 97 K HA 0.393 4.714 4.320 0.002 0.000 0.290 97 K C 0.657 177.265 176.600 0.014 0.000 1.067 97 K CA -0.131 56.153 56.287 -0.004 0.000 0.962 97 K CB 1.076 33.569 32.500 -0.011 0.000 1.008 97 K HN 0.160 nan 8.250 nan 0.000 0.467 98 G N 2.059 110.874 108.800 0.025 0.000 2.563 98 G HA2 0.190 4.151 3.960 0.002 0.000 0.283 98 G HA3 0.190 4.151 3.960 0.002 0.000 0.283 98 G C 0.810 175.731 174.900 0.034 0.000 1.309 98 G CA -0.573 44.552 45.100 0.042 0.000 1.022 98 G HN 0.595 nan 8.290 nan 0.000 0.501 99 I N -0.946 119.647 120.570 0.037 0.000 2.731 99 I HA 0.171 4.342 4.170 0.002 0.000 0.260 99 I C 1.205 177.334 176.117 0.020 0.000 1.138 99 I CA 0.578 61.894 61.300 0.027 0.000 1.461 99 I CB 0.099 38.114 38.000 0.026 0.000 1.128 99 I HN 0.175 nan 8.210 nan 0.000 0.438 100 R N 0.511 121.022 120.500 0.019 0.000 2.750 100 R HA 0.416 4.757 4.340 0.002 0.000 0.281 100 R C -2.587 173.724 176.300 0.018 0.000 0.972 100 R CA -1.825 54.285 56.100 0.015 0.000 0.912 100 R CB 1.182 31.489 30.300 0.011 0.000 1.187 100 R HN -0.217 nan 8.270 nan 0.000 0.464 101 P HA 0.025 nan 4.420 nan 0.000 0.264 101 P C -1.027 176.284 177.300 0.018 0.000 1.193 101 P CA 0.232 63.342 63.100 0.016 0.000 0.763 101 P CB 0.322 32.030 31.700 0.014 0.000 0.810 102 D N -0.231 120.182 120.400 0.021 0.000 2.686 102 D HA -0.212 4.429 4.640 0.002 0.000 0.235 102 D C 0.222 176.536 176.300 0.023 0.000 1.160 102 D CA 0.945 54.959 54.000 0.023 0.000 0.645 102 D CB -1.440 39.372 40.800 0.020 0.000 1.039 102 D HN 0.538 nan 8.370 nan 0.000 0.423 103 Q N -0.314 119.501 119.800 0.025 0.000 2.304 103 Q HA 0.292 4.633 4.340 0.002 0.000 0.301 103 Q C -0.344 175.662 176.000 0.012 0.000 1.063 103 Q CA 0.708 56.520 55.803 0.015 0.000 0.947 103 Q CB 0.474 29.226 28.738 0.023 0.000 1.201 103 Q HN 0.434 nan 8.270 nan 0.000 0.389 104 A N 3.779 126.594 122.820 -0.007 0.000 2.602 104 A HA 0.455 4.776 4.320 0.002 0.000 0.290 104 A C -1.096 176.469 177.584 -0.032 0.000 1.114 104 A CA -0.841 51.191 52.037 -0.010 0.000 0.683 104 A CB 1.014 20.019 19.000 0.008 0.000 1.281 104 A HN 0.780 nan 8.150 nan 0.000 0.416 105 L N 1.987 123.191 121.223 -0.032 0.000 2.998 105 L HA 0.233 4.574 4.340 0.002 0.000 0.234 105 L C -0.181 176.693 176.870 0.006 0.000 1.350 105 L CA -0.280 54.541 54.840 -0.032 0.000 1.202 105 L CB -1.040 40.993 42.059 -0.043 0.000 1.583 105 L HN 0.782 nan 8.230 nan 0.000 0.456 106 D N -2.021 118.388 120.400 0.015 0.000 2.549 106 D HA 0.113 4.754 4.640 0.002 0.000 0.270 106 D C 1.182 177.518 176.300 0.061 0.000 1.181 106 D CA -0.844 53.175 54.000 0.033 0.000 1.070 106 D CB 0.788 41.603 40.800 0.026 0.000 1.154 106 D HN -0.116 nan 8.370 nan 0.000 0.602 107 R N -0.274 120.273 120.500 0.079 0.000 2.081 107 R HA -0.141 4.200 4.340 0.002 0.000 0.235 107 R C 1.741 178.117 176.300 0.127 0.000 1.131 107 R CA 1.480 57.662 56.100 0.136 0.000 0.960 107 R CB -0.064 30.309 30.300 0.122 0.000 0.856 107 R HN 0.387 nan 8.270 nan 0.000 0.436 108 K N 0.043 120.491 120.400 0.080 0.000 2.032 108 K HA -0.092 4.229 4.320 0.002 0.000 0.209 108 K C 2.003 178.627 176.600 0.041 0.000 1.048 108 K CA 1.789 58.113 56.287 0.061 0.000 0.927 108 K CB -0.130 32.395 32.500 0.042 0.000 0.712 108 K HN 0.269 nan 8.250 nan 0.000 0.441 109 N N 0.596 119.314 118.700 0.030 0.000 2.142 109 N HA -0.104 4.637 4.740 0.002 0.000 0.186 109 N C 1.907 177.421 175.510 0.006 0.000 1.023 109 N CA 1.160 54.217 53.050 0.012 0.000 0.852 109 N CB -0.055 38.431 38.487 -0.001 0.000 0.998 109 N HN 0.137 nan 8.380 nan 0.000 0.424 110 I N 1.196 121.780 120.570 0.023 0.000 2.226 110 I HA -0.245 3.926 4.170 0.002 0.000 0.245 110 I C 2.731 178.779 176.117 -0.116 0.000 1.100 110 I CA 0.865 62.178 61.300 0.022 0.000 1.374 110 I CB -0.174 37.892 38.000 0.110 0.000 1.057 110 I HN 0.108 nan 8.210 nan 0.000 0.413 111 R N 1.220 121.635 120.500 -0.141 0.000 2.073 111 R HA -0.204 4.137 4.340 0.002 0.000 0.234 111 R C 2.114 178.368 176.300 -0.077 0.000 1.134 111 R CA 1.834 57.760 56.100 -0.289 0.000 0.952 111 R CB -0.126 30.167 30.300 -0.011 0.000 0.850 111 R HN 0.398 nan 8.270 nan 0.000 0.433 112 E N -0.054 120.140 120.200 -0.010 0.000 2.072 112 E HA -0.163 4.188 4.350 0.002 0.000 0.191 112 E C 2.015 178.618 176.600 0.006 0.000 0.985 112 E CA 1.123 57.536 56.400 0.022 0.000 0.801 112 E CB -0.135 29.575 29.700 0.017 0.000 0.750 112 E HN 0.476 nan 8.360 nan 0.000 0.452 113 A N 1.394 124.208 122.820 -0.009 0.000 1.877 113 A HA -0.177 4.144 4.320 0.002 0.000 0.216 113 A C 2.200 179.775 177.584 -0.014 0.000 1.186 113 A CA 1.189 53.234 52.037 0.013 0.000 0.620 113 A CB -0.572 18.456 19.000 0.046 0.000 0.822 113 A HN 0.235 nan 8.150 nan 0.000 0.443 114 L N -0.869 120.283 121.223 -0.119 0.000 2.093 114 L HA -0.110 4.231 4.340 0.002 0.000 0.208 114 L C 2.153 178.800 176.870 -0.372 0.000 1.085 114 L CA 2.371 56.988 54.840 -0.372 0.000 0.755 114 L CB -0.820 40.837 42.059 -0.670 0.000 0.904 114 L HN 0.545 nan 8.230 nan 0.000 0.435 115 H N -0.999 117.963 119.070 -0.180 0.000 2.395 115 H HA -0.086 4.471 4.556 0.002 0.000 0.299 115 H C 1.675 176.955 175.328 -0.081 0.000 1.070 115 H CA 1.447 57.418 56.048 -0.129 0.000 1.356 115 H CB 0.139 29.833 29.762 -0.113 0.000 1.401 115 H HN 0.361 nan 8.280 nan 0.000 0.524 116 D N -0.502 119.919 120.400 0.036 0.000 2.149 116 D HA -0.088 4.553 4.640 0.002 0.000 0.201 116 D C 2.189 178.490 176.300 0.001 0.000 0.972 116 D CA 0.847 54.861 54.000 0.023 0.000 0.835 116 D CB -0.189 40.624 40.800 0.021 0.000 0.966 116 D HN 0.178 nan 8.370 nan 0.000 0.476 117 S N 0.293 115.978 115.700 -0.026 0.000 2.368 117 S HA -0.062 4.409 4.470 0.002 0.000 0.225 117 S C 2.146 176.718 174.600 -0.047 0.000 1.030 117 S CA 0.550 58.732 58.200 -0.029 0.000 0.999 117 S CB -0.162 63.019 63.200 -0.032 0.000 0.844 117 S HN 0.237 nan 8.310 nan 0.000 0.459 118 L N 1.263 122.434 121.223 -0.088 0.000 2.093 118 L HA -0.098 4.243 4.340 0.002 0.000 0.208 118 L C 2.546 179.402 176.870 -0.023 0.000 1.085 118 L CA 1.171 55.964 54.840 -0.078 0.000 0.755 118 L CB -0.417 41.582 42.059 -0.099 0.000 0.904 118 L HN 0.284 nan 8.230 nan 0.000 0.435 119 K N 0.551 120.953 120.400 0.002 0.000 2.026 119 K HA -0.190 4.131 4.320 0.002 0.000 0.208 119 K C 2.290 178.905 176.600 0.025 0.000 1.048 119 K CA 1.402 57.701 56.287 0.020 0.000 0.929 119 K CB 0.018 32.536 32.500 0.029 0.000 0.713 119 K HN 0.212 nan 8.250 nan 0.000 0.439 120 R N 0.267 120.783 120.500 0.027 0.000 2.092 120 R HA -0.038 4.303 4.340 0.002 0.000 0.231 120 R C 2.262 178.598 176.300 0.060 0.000 1.119 120 R CA 1.074 57.202 56.100 0.047 0.000 0.970 120 R CB -0.188 30.140 30.300 0.045 0.000 0.864 120 R HN 0.240 nan 8.270 nan 0.000 0.440 121 L N 0.775 122.020 121.223 0.037 0.000 2.552 121 L HA -0.017 4.324 4.340 0.002 0.000 0.227 121 L C 0.359 177.245 176.870 0.026 0.000 1.146 121 L CA 0.378 55.244 54.840 0.043 0.000 0.858 121 L CB -0.177 41.888 42.059 0.010 0.000 0.969 121 L HN 0.246 nan 8.230 nan 0.000 0.451 122 Q N 0.152 119.961 119.800 0.015 0.000 2.468 122 Q HA -0.217 4.124 4.340 0.002 0.000 0.289 122 Q C 0.186 176.170 176.000 -0.027 0.000 1.299 122 Q CA 0.928 56.733 55.803 0.005 0.000 0.838 122 Q CB -1.725 27.025 28.738 0.020 0.000 1.195 122 Q HN 0.435 nan 8.270 nan 0.000 0.456 123 T N -1.964 112.556 114.554 -0.056 0.000 2.883 123 T HA 0.305 4.656 4.350 0.002 0.000 0.301 123 T C -0.187 174.451 174.700 -0.102 0.000 1.158 123 T CA -0.686 61.344 62.100 -0.116 0.000 1.007 123 T CB 1.560 70.299 68.868 -0.215 0.000 1.186 123 T HN 0.040 nan 8.240 nan 0.000 0.499 124 D N 0.937 121.296 120.400 -0.069 0.000 2.349 124 D HA 0.197 4.838 4.640 0.002 0.000 0.215 124 D C -0.055 176.307 176.300 0.102 0.000 1.016 124 D CA 0.958 54.988 54.000 0.050 0.000 0.870 124 D CB 0.170 41.055 40.800 0.141 0.000 0.917 124 D HN 0.637 nan 8.370 nan 0.000 0.524 125 Y N -1.874 118.408 120.300 -0.029 0.000 2.609 125 Y HA 0.552 5.103 4.550 0.001 0.000 0.336 125 Y C -1.593 174.283 175.900 -0.041 0.000 1.129 125 Y CA -1.408 56.664 58.100 -0.047 0.000 1.040 125 Y CB 0.715 39.160 38.460 -0.025 0.000 1.310 125 Y HN -0.358 nan 8.280 nan 0.000 0.460 126 L N 2.176 123.424 121.223 0.043 0.000 2.334 126 L HA 0.463 4.804 4.340 0.002 0.000 0.276 126 L C -0.280 176.724 176.870 0.223 0.000 1.014 126 L CA -0.589 54.267 54.840 0.025 0.000 0.815 126 L CB 1.895 43.933 42.059 -0.035 0.000 1.268 126 L HN 0.808 nan 8.230 nan 0.000 0.428 127 D N 1.136 121.671 120.400 0.225 0.000 2.162 127 D HA 0.039 4.680 4.640 0.002 0.000 0.203 127 D C -0.301 176.158 176.300 0.264 0.000 0.967 127 D CA 1.027 55.195 54.000 0.280 0.000 0.840 127 D CB 0.356 41.305 40.800 0.247 0.000 0.972 127 D HN 0.066 nan 8.370 nan 0.000 0.482 128 L N -0.082 121.265 121.223 0.207 0.000 2.470 128 L HA 0.402 4.743 4.340 0.002 0.000 0.268 128 L C -2.106 174.902 176.870 0.229 0.000 0.964 128 L CA -1.098 53.866 54.840 0.207 0.000 0.839 128 L CB 1.604 43.750 42.059 0.145 0.000 1.276 128 L HN -0.150 nan 8.230 nan 0.000 0.403 129 Y N 3.587 123.913 120.300 0.042 0.000 2.350 129 Y HA 0.669 5.220 4.550 0.002 0.000 0.338 129 Y C -0.867 175.022 175.900 -0.019 0.000 0.961 129 Y CA -0.559 57.539 58.100 -0.003 0.000 1.100 129 Y CB 1.653 40.111 38.460 -0.003 0.000 1.179 129 Y HN 0.679 nan 8.280 nan 0.000 0.454 130 Q N 3.930 123.551 119.800 -0.299 0.000 2.365 130 Q HA 0.559 4.900 4.340 0.002 0.000 0.269 130 Q C -1.185 174.588 176.000 -0.377 0.000 1.061 130 Q CA -1.329 54.321 55.803 -0.256 0.000 0.816 130 Q CB 2.813 31.453 28.738 -0.164 0.000 1.325 130 Q HN 0.463 nan 8.270 nan 0.000 0.446 131 V N 2.831 122.598 119.914 -0.244 0.000 2.415 131 V HA -0.053 4.068 4.120 0.002 0.000 0.267 131 V C 1.087 177.131 176.094 -0.084 0.000 1.042 131 V CA 0.404 62.587 62.300 -0.194 0.000 1.000 131 V CB 0.150 31.920 31.823 -0.088 0.000 1.015 131 V HN 0.870 nan 8.190 nan 0.000 0.478 132 H N 4.633 123.551 119.070 -0.253 0.000 2.389 132 H HA -0.010 4.547 4.556 0.001 0.000 0.299 132 H C 0.466 175.956 175.328 0.269 0.000 1.081 132 H CA 1.445 57.466 56.048 -0.045 0.000 1.345 132 H CB 0.395 30.077 29.762 -0.134 0.000 1.393 132 H HN 0.754 nan 8.280 nan 0.000 0.520 133 W N -1.864 119.573 121.300 0.229 0.000 3.066 133 W HA 0.472 5.133 4.660 0.001 0.000 0.330 133 W C -3.269 173.342 176.519 0.152 0.000 1.253 133 W CA -2.769 54.689 57.345 0.188 0.000 1.187 133 W CB 0.053 29.699 29.460 0.309 0.000 1.434 133 W HN -0.295 nan 8.180 nan 0.000 0.572 134 P HA 0.082 nan 4.420 nan 0.000 0.274 134 P C 0.528 177.963 177.300 0.226 0.000 1.231 134 P CA -0.055 63.185 63.100 0.233 0.000 0.790 134 P CB 1.356 33.203 31.700 0.245 0.000 0.951 135 Q N 2.688 122.563 119.800 0.126 0.000 2.050 135 Q HA -0.156 4.185 4.340 0.002 0.000 0.202 135 Q C 0.656 176.740 176.000 0.140 0.000 0.980 135 Q CA 1.417 57.284 55.803 0.107 0.000 0.840 135 Q CB -0.210 28.562 28.738 0.056 0.000 0.898 135 Q HN 0.407 nan 8.270 nan 0.000 0.424 136 R N 1.105 121.688 120.500 0.138 0.000 2.582 136 R HA 0.310 4.651 4.340 0.002 0.000 0.271 136 R C -2.239 174.163 176.300 0.170 0.000 1.078 136 R CA -1.623 54.557 56.100 0.134 0.000 1.127 136 R CB -0.383 29.994 30.300 0.128 0.000 1.038 136 R HN -0.002 nan 8.270 nan 0.000 0.500 137 P HA 0.125 nan 4.420 nan 0.000 0.276 137 P C -0.757 176.647 177.300 0.173 0.000 1.235 137 P CA -0.080 63.099 63.100 0.132 0.000 0.772 137 P CB 1.597 33.333 31.700 0.060 0.000 0.871 138 T N 1.110 115.782 114.554 0.196 0.000 2.665 138 T HA 0.284 4.635 4.350 0.002 0.000 0.303 138 T C -1.141 173.691 174.700 0.220 0.000 1.334 138 T CA -0.785 61.495 62.100 0.300 0.000 1.011 138 T CB 0.515 69.582 68.868 0.330 0.000 1.573 138 T HN 0.411 nan 8.240 nan 0.000 0.492 139 N N 2.079 120.944 118.700 0.275 0.000 2.807 139 N HA 0.352 5.093 4.740 0.002 0.000 0.259 139 N C 0.032 175.605 175.510 0.104 0.000 1.149 139 N CA -0.409 52.743 53.050 0.170 0.000 1.042 139 N CB -0.933 37.665 38.487 0.186 0.000 1.367 139 N HN 0.791 nan 8.380 nan 0.000 0.516 140 C N -1.612 117.736 119.300 0.079 0.000 3.213 140 C HA 0.736 5.197 4.460 0.002 0.000 0.319 140 C C -0.066 174.964 174.990 0.067 0.000 1.386 140 C CA -1.078 57.927 59.018 -0.022 0.000 1.494 140 C CB -0.242 27.400 27.740 -0.163 0.000 1.905 140 C HN 0.499 nan 8.230 nan 0.000 0.456 141 F N 1.561 121.555 119.950 0.075 0.000 2.969 141 F HA 0.103 4.631 4.527 0.002 0.000 0.273 141 F C 1.528 177.319 175.800 -0.016 0.000 0.986 141 F CA 2.496 60.510 58.000 0.023 0.000 0.926 141 F CB -1.547 37.425 39.000 -0.046 0.000 0.887 141 F HN 2.010 nan 8.300 nan 0.000 0.816 142 G N -0.623 108.255 108.800 0.130 0.000 2.176 142 G HA2 -0.281 3.680 3.960 0.002 0.000 0.232 142 G HA3 -0.281 3.680 3.960 0.002 0.000 0.232 142 G C 0.238 175.162 174.900 0.040 0.000 0.986 142 G CA -0.058 45.068 45.100 0.044 0.000 0.643 142 G HN 0.463 nan 8.290 nan 0.000 0.522 143 K N 0.383 120.819 120.400 0.060 0.000 2.339 143 K HA 0.543 4.864 4.320 0.002 0.000 0.264 143 K C 0.902 177.538 176.600 0.060 0.000 0.986 143 K CA -0.780 55.540 56.287 0.055 0.000 0.866 143 K CB 2.201 34.737 32.500 0.059 0.000 1.103 143 K HN 0.087 nan 8.250 nan 0.000 0.441 144 L N 2.560 123.821 121.223 0.062 0.000 2.023 144 L HA 0.084 4.425 4.340 0.002 0.000 0.205 144 L C 0.823 177.745 176.870 0.087 0.000 1.073 144 L CA 1.734 56.617 54.840 0.071 0.000 0.745 144 L CB -0.300 41.819 42.059 0.101 0.000 0.900 144 L HN 0.689 nan 8.230 nan 0.000 0.435 145 G N -2.436 106.422 108.800 0.098 0.000 2.437 145 G HA2 0.282 4.243 3.960 0.002 0.000 0.319 145 G HA3 0.282 4.243 3.960 0.002 0.000 0.319 145 G C -1.643 173.352 174.900 0.158 0.000 1.158 145 G CA -0.387 44.789 45.100 0.127 0.000 0.899 145 G HN 0.164 nan 8.290 nan 0.000 0.502 146 Y N 1.021 121.365 120.300 0.073 0.000 2.309 146 Y HA 0.508 5.059 4.550 0.001 0.000 0.327 146 Y C 0.290 176.268 175.900 0.130 0.000 1.172 146 Y CA -0.207 57.947 58.100 0.089 0.000 1.280 146 Y CB 1.201 39.712 38.460 0.085 0.000 1.234 146 Y HN 0.367 nan 8.280 nan 0.000 0.512 147 S N 6.130 121.522 115.700 -0.513 0.000 2.454 147 S HA 0.181 4.652 4.470 0.002 0.000 0.306 147 S C -0.955 173.331 174.600 -0.523 0.000 1.100 147 S CA -0.792 57.223 58.200 -0.307 0.000 1.087 147 S CB 0.639 63.740 63.200 -0.165 0.000 1.019 147 S HN 0.810 nan 8.310 nan 0.000 0.480 148 W N 2.399 123.474 121.300 -0.375 0.000 2.231 148 W HA 0.047 4.706 4.660 -0.002 0.000 0.341 148 W C 0.776 177.189 176.519 -0.176 0.000 1.298 148 W CA 0.554 57.792 57.345 -0.179 0.000 1.266 148 W CB 0.676 30.105 29.460 -0.052 0.000 1.172 148 W HN 0.453 nan 8.180 nan 0.000 0.568 149 T N 2.838 117.322 114.554 -0.117 0.000 2.925 149 T HA 0.124 4.475 4.350 0.002 0.000 0.285 149 T C -0.162 174.521 174.700 -0.029 0.000 1.021 149 T CA -0.609 61.453 62.100 -0.062 0.000 1.042 149 T CB 0.926 69.748 68.868 -0.078 0.000 1.037 149 T HN 0.260 nan 8.240 nan 0.000 0.481 150 D N 2.367 122.776 120.400 0.015 0.000 2.894 150 D HA 0.283 4.924 4.640 0.002 0.000 0.248 150 D C -0.511 175.791 176.300 0.005 0.000 1.291 150 D CA 0.006 54.021 54.000 0.026 0.000 0.840 150 D CB -0.003 40.821 40.800 0.039 0.000 1.044 150 D HN 0.507 nan 8.370 nan 0.000 0.484 151 S N -0.968 114.723 115.700 -0.015 0.000 2.325 151 S HA 0.516 4.986 4.470 0.002 0.000 0.228 151 S C -0.061 174.532 174.600 -0.011 0.000 0.942 151 S CA -1.095 57.102 58.200 -0.006 0.000 1.070 151 S CB 0.427 63.630 63.200 0.006 0.000 1.232 151 S HN 0.170 nan 8.310 nan 0.000 0.405 152 A N 3.874 126.684 122.820 -0.016 0.000 2.587 152 A HA 0.499 4.820 4.320 0.002 0.000 0.235 152 A C -1.947 175.639 177.584 0.003 0.000 1.044 152 A CA -0.177 51.851 52.037 -0.014 0.000 0.754 152 A CB -0.902 18.091 19.000 -0.012 0.000 0.968 152 A HN 0.615 nan 8.150 nan 0.000 0.509 153 P HA 0.323 nan 4.420 nan 0.000 0.272 153 P C 0.699 178.009 177.300 0.017 0.000 1.223 153 P CA 0.333 63.447 63.100 0.025 0.000 0.784 153 P CB 0.838 32.559 31.700 0.036 0.000 0.923 154 A N 1.570 124.403 122.820 0.021 0.000 2.119 154 A HA 0.126 4.447 4.320 0.002 0.000 0.217 154 A C 0.566 178.157 177.584 0.011 0.000 1.153 154 A CA 1.095 53.141 52.037 0.016 0.000 0.692 154 A CB -0.257 18.755 19.000 0.020 0.000 0.799 154 A HN 0.396 nan 8.150 nan 0.000 0.458 155 V N 0.409 120.330 119.914 0.011 0.000 2.733 155 V HA 0.392 4.513 4.120 0.002 0.000 0.306 155 V C -0.079 176.012 176.094 -0.004 0.000 1.084 155 V CA -0.385 61.917 62.300 0.003 0.000 0.905 155 V CB 1.952 33.779 31.823 0.007 0.000 1.010 155 V HN 0.433 nan 8.190 nan 0.000 0.424 156 S N 4.381 120.069 115.700 -0.020 0.000 2.672 156 S HA 0.590 5.061 4.470 0.002 0.000 0.276 156 S C 1.069 175.623 174.600 -0.077 0.000 1.207 156 S CA -0.741 57.436 58.200 -0.039 0.000 1.002 156 S CB 1.162 64.336 63.200 -0.043 0.000 0.998 156 S HN 0.544 nan 8.310 nan 0.000 0.542 157 L N 0.288 121.427 121.223 -0.141 0.000 2.079 157 L HA -0.109 4.232 4.340 0.002 0.000 0.210 157 L C 2.466 179.199 176.870 -0.229 0.000 1.081 157 L CA 1.004 55.666 54.840 -0.296 0.000 0.752 157 L CB -0.730 40.991 42.059 -0.562 0.000 0.896 157 L HN 0.676 nan 8.230 nan 0.000 0.433 158 L N -0.098 121.028 121.223 -0.162 0.000 2.046 158 L HA -0.202 4.139 4.340 0.002 0.000 0.208 158 L C 2.089 178.900 176.870 -0.099 0.000 1.077 158 L CA 1.832 56.590 54.840 -0.137 0.000 0.747 158 L CB -0.733 41.229 42.059 -0.163 0.000 0.896 158 L HN 0.193 nan 8.230 nan 0.000 0.432 159 D N -0.874 119.482 120.400 -0.074 0.000 2.104 159 D HA -0.188 4.453 4.640 0.002 0.000 0.194 159 D C 2.002 178.298 176.300 -0.006 0.000 0.994 159 D CA 2.040 56.016 54.000 -0.040 0.000 0.830 159 D CB -0.300 40.486 40.800 -0.024 0.000 0.959 159 D HN 0.386 nan 8.370 nan 0.000 0.452 160 T N 1.233 115.789 114.554 0.003 0.000 2.737 160 T HA -0.120 4.231 4.350 0.002 0.000 0.265 160 T C 1.940 176.698 174.700 0.096 0.000 1.038 160 T CA 0.441 62.574 62.100 0.056 0.000 1.144 160 T CB -0.319 68.595 68.868 0.076 0.000 0.866 160 T HN 0.013 nan 8.240 nan 0.000 0.434 161 L N 1.446 122.727 121.223 0.097 0.000 2.083 161 L HA -0.041 4.300 4.340 0.002 0.000 0.209 161 L C 2.022 178.927 176.870 0.058 0.000 1.083 161 L CA 1.774 56.691 54.840 0.129 0.000 0.752 161 L CB -0.635 41.509 42.059 0.142 0.000 0.899 161 L HN 0.103 nan 8.230 nan 0.000 0.433 162 D N -0.665 119.739 120.400 0.007 0.000 2.144 162 D HA -0.114 4.527 4.640 0.002 0.000 0.200 162 D C 2.085 178.379 176.300 -0.010 0.000 0.978 162 D CA 1.235 55.221 54.000 -0.023 0.000 0.833 162 D CB 0.288 41.053 40.800 -0.058 0.000 0.961 162 D HN 0.476 nan 8.370 nan 0.000 0.470 163 A N 0.557 123.396 122.820 0.032 0.000 1.898 163 A HA -0.100 4.221 4.320 0.002 0.000 0.216 163 A C 2.445 180.103 177.584 0.123 0.000 1.181 163 A CA 0.759 52.843 52.037 0.078 0.000 0.620 163 A CB -0.712 18.371 19.000 0.137 0.000 0.819 163 A HN 0.239 nan 8.150 nan 0.000 0.442 164 L N -0.691 120.622 121.223 0.149 0.000 2.083 164 L HA -0.178 4.163 4.340 0.002 0.000 0.209 164 L C 3.060 179.986 176.870 0.092 0.000 1.083 164 L CA 0.886 55.844 54.840 0.197 0.000 0.752 164 L CB -0.516 41.642 42.059 0.166 0.000 0.899 164 L HN 0.436 nan 8.230 nan 0.000 0.433 165 A N -0.060 122.771 122.820 0.019 0.000 1.940 165 A HA -0.291 4.030 4.320 0.002 0.000 0.219 165 A C 2.281 179.793 177.584 -0.120 0.000 1.176 165 A CA 2.048 54.064 52.037 -0.035 0.000 0.631 165 A CB -0.538 18.441 19.000 -0.035 0.000 0.814 165 A HN 0.516 nan 8.150 nan 0.000 0.446 166 E N -1.361 118.693 120.200 -0.243 0.000 2.077 166 E HA -0.225 4.126 4.350 0.002 0.000 0.193 166 E C 1.601 177.884 176.600 -0.528 0.000 0.989 166 E CA 1.542 57.673 56.400 -0.449 0.000 0.800 166 E CB -0.240 29.053 29.700 -0.678 0.000 0.746 166 E HN 0.762 nan 8.360 nan 0.000 0.452 167 Y N 0.179 120.478 120.300 -0.001 0.000 2.475 167 Y HA -0.018 4.533 4.550 0.002 0.000 0.289 167 Y C 2.398 178.275 175.900 -0.038 0.000 1.121 167 Y CA 0.534 58.617 58.100 -0.028 0.000 1.257 167 Y CB -0.204 38.216 38.460 -0.066 0.000 1.026 167 Y HN 0.085 nan 8.280 nan 0.000 0.555 168 Q N 1.315 121.134 119.800 0.032 0.000 2.046 168 Q HA -0.191 4.150 4.340 0.002 0.000 0.200 168 Q C 2.312 178.287 176.000 -0.042 0.000 0.975 168 Q CA 1.368 57.166 55.803 -0.008 0.000 0.836 168 Q CB -0.222 28.503 28.738 -0.022 0.000 0.896 168 Q HN 0.461 nan 8.270 nan 0.000 0.428 169 R N -0.321 120.141 120.500 -0.063 0.000 2.120 169 R HA -0.053 4.287 4.340 0.002 0.000 0.234 169 R C 1.872 178.144 176.300 -0.045 0.000 1.123 169 R CA 1.113 57.175 56.100 -0.064 0.000 0.975 169 R CB -0.154 30.099 30.300 -0.077 0.000 0.866 169 R HN 0.217 nan 8.270 nan 0.000 0.446 170 A N -0.247 122.555 122.820 -0.030 0.000 2.209 170 A HA 0.114 4.435 4.320 0.002 0.000 0.212 170 A C 1.491 179.088 177.584 0.022 0.000 1.158 170 A CA 0.986 53.033 52.037 0.016 0.000 0.742 170 A CB -0.364 18.686 19.000 0.084 0.000 0.790 170 A HN 0.585 nan 8.150 nan 0.000 0.472 171 G N -0.840 107.960 108.800 -0.000 0.000 2.159 171 G HA2 -0.315 3.646 3.960 0.002 0.000 0.256 171 G HA3 -0.315 3.646 3.960 0.002 0.000 0.256 171 G C 0.903 175.820 174.900 0.028 0.000 0.977 171 G CA 0.876 45.966 45.100 -0.016 0.000 0.652 171 G HN 0.551 nan 8.290 nan 0.000 0.531 172 K N -0.232 120.195 120.400 0.044 0.000 2.228 172 K HA 0.284 4.605 4.320 0.002 0.000 0.202 172 K C 1.359 177.957 176.600 -0.004 0.000 1.051 172 K CA 1.284 57.584 56.287 0.021 0.000 0.960 172 K CB 0.130 32.601 32.500 -0.048 0.000 0.743 172 K HN 0.793 nan 8.250 nan 0.000 0.458 173 I N -2.981 117.595 120.570 0.010 0.000 2.647 173 I HA 0.336 4.507 4.170 0.002 0.000 0.295 173 I C 0.177 176.308 176.117 0.023 0.000 1.078 173 I CA -1.000 60.315 61.300 0.026 0.000 1.048 173 I CB 2.299 40.312 38.000 0.022 0.000 1.239 173 I HN -0.206 nan 8.210 nan 0.000 0.421 174 R N 2.987 123.514 120.500 0.044 0.000 2.051 174 R HA 0.259 4.600 4.340 0.002 0.000 0.218 174 R C -0.374 175.777 176.300 -0.248 0.000 1.188 174 R CA 0.845 56.883 56.100 -0.105 0.000 0.992 174 R CB 0.018 30.308 30.300 -0.017 0.000 0.883 174 R HN 0.565 nan 8.270 nan 0.000 0.444 175 Y N 0.586 120.927 120.300 0.070 0.000 2.487 175 Y HA 0.433 4.984 4.550 0.001 0.000 0.337 175 Y C 0.111 176.054 175.900 0.071 0.000 1.076 175 Y CA -1.353 56.782 58.100 0.059 0.000 1.115 175 Y CB 1.463 39.955 38.460 0.054 0.000 1.235 175 Y HN 0.025 nan 8.280 nan 0.000 0.468 176 I N -0.221 120.472 120.570 0.206 0.000 2.493 176 I HA 1.045 5.216 4.170 0.002 0.000 0.298 176 I C -0.107 176.036 176.117 0.045 0.000 0.998 176 I CA -0.513 60.854 61.300 0.111 0.000 1.137 176 I CB 2.002 40.038 38.000 0.060 0.000 1.310 176 I HN 0.635 nan 8.210 nan 0.000 0.445 177 G N 3.888 112.676 108.800 -0.020 0.000 2.733 177 G HA2 0.715 4.676 3.960 0.002 0.000 0.288 177 G HA3 0.715 4.676 3.960 0.002 0.000 0.288 177 G C -0.942 173.868 174.900 -0.150 0.000 1.373 177 G CA -0.587 44.472 45.100 -0.069 0.000 0.895 177 G HN 0.962 nan 8.290 nan 0.000 0.479 178 V N -2.680 117.150 119.914 -0.139 0.000 3.113 178 V HA 0.958 5.079 4.120 0.002 0.000 0.316 178 V C -0.181 175.914 176.094 0.003 0.000 1.125 178 V CA -0.837 61.388 62.300 -0.126 0.000 1.026 178 V CB 1.513 33.205 31.823 -0.218 0.000 1.080 178 V HN 1.172 nan 8.190 nan 0.000 0.444 179 S N 0.969 116.711 115.700 0.070 0.000 2.541 179 S HA 0.507 4.978 4.470 0.002 0.000 0.271 179 S C -0.291 174.431 174.600 0.202 0.000 1.133 179 S CA -0.207 58.092 58.200 0.166 0.000 0.876 179 S CB 1.092 64.403 63.200 0.185 0.000 1.105 179 S HN 1.244 nan 8.310 nan 0.000 0.470 180 N N 1.587 120.407 118.700 0.200 0.000 2.727 180 N HA -0.126 4.615 4.740 0.002 0.000 0.249 180 N C -0.391 175.174 175.510 0.092 0.000 1.048 180 N CA 1.091 54.181 53.050 0.068 0.000 0.714 180 N CB -0.560 37.848 38.487 -0.132 0.000 0.959 180 N HN 0.658 nan 8.380 nan 0.000 0.544 181 E N 0.031 120.304 120.200 0.122 0.000 2.446 181 E HA 0.531 4.882 4.350 0.002 0.000 0.251 181 E C 0.827 177.479 176.600 0.088 0.000 1.087 181 E CA -0.165 56.310 56.400 0.124 0.000 0.937 181 E CB 1.326 31.105 29.700 0.131 0.000 1.254 181 E HN 0.361 nan 8.360 nan 0.000 0.479 182 T N -3.765 110.838 114.554 0.082 0.000 2.888 182 T HA 0.596 4.947 4.350 0.002 0.000 0.288 182 T C 0.937 175.636 174.700 -0.001 0.000 1.063 182 T CA -0.162 61.959 62.100 0.035 0.000 1.010 182 T CB 1.423 70.338 68.868 0.078 0.000 1.214 182 T HN 0.318 nan 8.240 nan 0.000 0.533 183 A N 0.455 123.246 122.820 -0.049 0.000 1.908 183 A HA 0.041 4.362 4.320 0.002 0.000 0.218 183 A C 1.908 179.491 177.584 -0.001 0.000 1.181 183 A CA 1.817 53.816 52.037 -0.064 0.000 0.627 183 A CB -1.307 17.643 19.000 -0.083 0.000 0.818 183 A HN 0.887 nan 8.150 nan 0.000 0.445 184 F N 1.197 121.092 119.950 -0.091 0.000 2.069 184 F HA -0.072 4.455 4.527 0.001 0.000 0.298 184 F C 2.274 178.049 175.800 -0.043 0.000 1.113 184 F CA 1.799 59.743 58.000 -0.092 0.000 1.214 184 F CB -0.831 38.074 39.000 -0.158 0.000 0.978 184 F HN 0.177 nan 8.300 nan 0.000 0.474 185 G N 0.036 108.752 108.800 -0.140 0.000 2.418 185 G HA2 -0.190 3.771 3.960 0.002 0.000 0.217 185 G HA3 -0.190 3.771 3.960 0.002 0.000 0.217 185 G C 1.758 176.637 174.900 -0.035 0.000 1.158 185 G CA 1.142 46.132 45.100 -0.183 0.000 0.771 185 G HN 0.367 nan 8.290 nan 0.000 0.545 186 V N 1.358 121.288 119.914 0.027 0.000 2.287 186 V HA -0.206 3.915 4.120 0.002 0.000 0.248 186 V C 2.974 179.080 176.094 0.020 0.000 1.053 186 V CA 1.856 64.197 62.300 0.069 0.000 1.027 186 V CB -0.365 31.468 31.823 0.017 0.000 0.646 186 V HN 0.282 nan 8.190 nan 0.000 0.447 187 M N -0.954 118.598 119.600 -0.079 0.000 2.213 187 M HA -0.097 4.384 4.480 0.002 0.000 0.263 187 M C 2.306 178.533 176.300 -0.121 0.000 1.062 187 M CA 1.534 56.785 55.300 -0.083 0.000 1.105 187 M CB -1.201 31.344 32.600 -0.092 0.000 1.385 187 M HN 0.278 nan 8.290 nan 0.000 0.417 188 R N -0.547 119.762 120.500 -0.320 0.000 2.066 188 R HA -0.121 4.220 4.340 0.002 0.000 0.232 188 R C 2.119 178.351 176.300 -0.113 0.000 1.131 188 R CA 1.423 57.330 56.100 -0.322 0.000 0.955 188 R CB -1.098 28.794 30.300 -0.680 0.000 0.851 188 R HN 0.389 nan 8.270 nan 0.000 0.432 189 Y N 1.296 121.523 120.300 -0.122 0.000 2.165 189 Y HA -0.184 4.368 4.550 0.002 0.000 0.286 189 Y C 2.463 178.347 175.900 -0.026 0.000 1.155 189 Y CA 1.367 59.436 58.100 -0.052 0.000 1.164 189 Y CB -0.471 37.963 38.460 -0.043 0.000 0.978 189 Y HN -0.034 nan 8.280 nan 0.000 0.513 190 L N -1.360 119.948 121.223 0.141 0.000 2.056 190 L HA -0.245 4.096 4.340 0.002 0.000 0.207 190 L C 2.403 179.303 176.870 0.049 0.000 1.078 190 L CA 1.763 56.645 54.840 0.071 0.000 0.749 190 L CB -0.710 41.378 42.059 0.048 0.000 0.901 190 L HN 0.310 nan 8.230 nan 0.000 0.433 191 H N 0.472 119.527 119.070 -0.024 0.000 2.321 191 H HA -0.155 4.402 4.556 0.002 0.000 0.300 191 H C 2.173 177.491 175.328 -0.017 0.000 1.087 191 H CA 1.714 57.740 56.048 -0.037 0.000 1.319 191 H CB -0.048 29.679 29.762 -0.059 0.000 1.379 191 H HN 0.145 nan 8.280 nan 0.000 0.501 192 L N -0.239 120.959 121.223 -0.042 0.000 2.093 192 L HA -0.104 4.237 4.340 0.002 0.000 0.208 192 L C 2.888 179.767 176.870 0.014 0.000 1.085 192 L CA 0.902 55.752 54.840 0.017 0.000 0.755 192 L CB -0.672 41.438 42.059 0.085 0.000 0.904 192 L HN 0.460 nan 8.230 nan 0.000 0.435 193 A N 0.136 122.962 122.820 0.011 0.000 1.908 193 A HA -0.307 4.014 4.320 0.002 0.000 0.218 193 A C 1.977 179.530 177.584 -0.053 0.000 1.181 193 A CA 2.309 54.350 52.037 0.007 0.000 0.627 193 A CB -0.654 18.356 19.000 0.015 0.000 0.818 193 A HN 0.478 nan 8.150 nan 0.000 0.445 194 D N -0.929 119.404 120.400 -0.112 0.000 2.123 194 D HA -0.146 4.495 4.640 0.002 0.000 0.200 194 D C 1.985 178.162 176.300 -0.205 0.000 0.976 194 D CA 1.583 55.501 54.000 -0.137 0.000 0.831 194 D CB -0.121 40.600 40.800 -0.131 0.000 0.974 194 D HN 0.456 nan 8.370 nan 0.000 0.469 195 K N -0.999 119.185 120.400 -0.360 0.000 2.057 195 K HA -0.137 4.184 4.320 0.002 0.000 0.206 195 K C 1.241 177.548 176.600 -0.488 0.000 1.050 195 K CA 1.146 57.133 56.287 -0.500 0.000 0.935 195 K CB 0.003 32.024 32.500 -0.800 0.000 0.715 195 K HN 0.342 nan 8.250 nan 0.000 0.439 196 H N -0.373 118.623 119.070 -0.123 0.000 2.594 196 H HA 0.033 4.590 4.556 0.001 0.000 0.279 196 H C -0.386 174.906 175.328 -0.060 0.000 1.042 196 H CA 0.430 56.432 56.048 -0.078 0.000 1.177 196 H CB 0.370 30.092 29.762 -0.067 0.000 1.524 196 H HN 0.342 nan 8.280 nan 0.000 0.537 197 D N 1.044 121.448 120.400 0.006 0.000 2.746 197 D HA -0.175 4.466 4.640 0.002 0.000 0.241 197 D C -0.791 175.516 176.300 0.013 0.000 1.140 197 D CA 0.295 54.293 54.000 -0.003 0.000 0.707 197 D CB -1.365 39.430 40.800 -0.009 0.000 1.034 197 D HN 0.342 nan 8.370 nan 0.000 0.423 198 L N -0.079 121.157 121.223 0.022 0.000 2.286 198 L HA 0.695 5.035 4.340 0.002 0.000 0.265 198 L C -1.755 175.125 176.870 0.016 0.000 1.012 198 L CA -2.323 52.531 54.840 0.024 0.000 0.818 198 L CB 1.493 43.579 42.059 0.046 0.000 1.337 198 L HN -0.089 nan 8.230 nan 0.000 0.438 199 P HA 0.085 nan 4.420 nan 0.000 0.268 199 P C -1.086 176.233 177.300 0.033 0.000 1.205 199 P CA -0.216 62.893 63.100 0.015 0.000 0.771 199 P CB 0.425 32.134 31.700 0.015 0.000 0.858 200 R N 3.946 124.459 120.500 0.022 0.000 2.202 200 R HA 0.265 4.606 4.340 0.002 0.000 0.334 200 R C 0.515 176.839 176.300 0.041 0.000 1.036 200 R CA -0.691 55.420 56.100 0.018 0.000 0.878 200 R CB -0.186 30.092 30.300 -0.037 0.000 1.067 200 R HN 0.520 nan 8.270 nan 0.000 0.457 201 I N 2.451 123.029 120.570 0.013 0.000 2.872 201 I HA -0.043 4.128 4.170 0.002 0.000 0.291 201 I C 0.967 177.103 176.117 0.032 0.000 1.216 201 I CA -0.245 61.044 61.300 -0.017 0.000 1.424 201 I CB 0.812 38.712 38.000 -0.167 0.000 1.351 201 I HN 0.488 nan 8.210 nan 0.000 0.592 202 V N 0.736 120.682 119.914 0.053 0.000 3.612 202 V HA 0.279 4.400 4.120 0.002 0.000 0.268 202 V C 0.689 176.807 176.094 0.039 0.000 1.365 202 V CA 0.806 63.142 62.300 0.060 0.000 1.044 202 V CB -0.463 31.380 31.823 0.032 0.000 0.820 202 V HN 1.008 nan 8.190 nan 0.000 0.444 203 T N -0.916 113.653 114.554 0.026 0.000 2.883 203 T HA 0.757 5.108 4.350 0.002 0.000 0.301 203 T C -1.092 173.630 174.700 0.036 0.000 1.158 203 T CA -0.415 61.707 62.100 0.037 0.000 1.007 203 T CB 2.757 71.641 68.868 0.026 0.000 1.186 203 T HN 0.375 nan 8.240 nan 0.000 0.499 204 I N 0.931 121.548 120.570 0.079 0.000 2.498 204 I HA 0.486 4.657 4.170 0.002 0.000 0.290 204 I C -0.878 175.306 176.117 0.112 0.000 1.032 204 I CA -0.840 60.524 61.300 0.106 0.000 1.073 204 I CB 2.053 40.166 38.000 0.188 0.000 1.251 204 I HN 0.863 nan 8.210 nan 0.000 0.426 205 Q N 6.223 126.102 119.800 0.132 0.000 2.431 205 Q HA 0.420 4.761 4.340 0.002 0.000 0.249 205 Q C -1.587 174.593 176.000 0.301 0.000 1.025 205 Q CA -0.512 55.405 55.803 0.190 0.000 0.835 205 Q CB 0.864 29.709 28.738 0.179 0.000 1.207 205 Q HN 0.664 nan 8.270 nan 0.000 0.490 206 N N 3.328 122.122 118.700 0.157 0.000 2.380 206 N HA 0.565 5.306 4.740 0.002 0.000 0.290 206 N C -2.826 172.343 175.510 -0.569 0.000 1.236 206 N CA -1.725 51.318 53.050 -0.012 0.000 0.780 206 N CB 1.933 40.499 38.487 0.132 0.000 1.438 206 N HN 0.366 nan 8.380 nan 0.000 0.491 207 P HA 0.137 nan 4.420 nan 0.000 0.275 207 P C -1.471 175.681 177.300 -0.248 0.000 1.227 207 P CA 0.246 62.750 63.100 -0.993 0.000 0.781 207 P CB 0.494 31.847 31.700 -0.579 0.000 0.906 208 Y N 1.562 121.700 120.300 -0.270 0.000 2.390 208 Y HA 0.414 4.965 4.550 0.001 0.000 0.324 208 Y C -1.044 174.822 175.900 -0.057 0.000 1.151 208 Y CA 0.080 58.113 58.100 -0.113 0.000 1.053 208 Y CB 1.562 39.942 38.460 -0.132 0.000 1.277 208 Y HN 0.720 nan 8.280 nan 0.000 0.432 209 S N 3.744 119.120 115.700 -0.540 0.000 2.655 209 S HA 0.357 4.828 4.470 0.002 0.000 0.266 209 S C -0.159 174.168 174.600 -0.456 0.000 1.149 209 S CA -0.896 57.091 58.200 -0.355 0.000 0.818 209 S CB 0.758 63.805 63.200 -0.256 0.000 1.130 209 S HN 0.683 nan 8.310 nan 0.000 0.476 210 L N 0.399 121.339 121.223 -0.471 0.000 2.189 210 L HA -0.050 4.291 4.340 0.002 0.000 0.214 210 L C 1.939 178.621 176.870 -0.313 0.000 1.097 210 L CA 1.335 55.752 54.840 -0.705 0.000 0.764 210 L CB -0.729 40.609 42.059 -1.202 0.000 0.900 210 L HN 0.597 nan 8.230 nan 0.000 0.436 211 L N -1.149 119.981 121.223 -0.155 0.000 2.509 211 L HA 0.057 4.398 4.340 0.002 0.000 0.222 211 L C 0.555 177.513 176.870 0.146 0.000 1.123 211 L CA 0.152 55.044 54.840 0.086 0.000 0.856 211 L CB -0.096 42.044 42.059 0.136 0.000 0.985 211 L HN 0.242 nan 8.230 nan 0.000 0.456 212 N N 0.265 118.979 118.700 0.023 0.000 2.685 212 N HA 0.167 4.908 4.740 0.002 0.000 0.252 212 N C -0.074 175.357 175.510 -0.132 0.000 1.261 212 N CA -0.234 52.840 53.050 0.040 0.000 0.768 212 N CB 0.750 39.263 38.487 0.043 0.000 1.304 212 N HN -0.082 nan 8.380 nan 0.000 0.536 213 R N 0.334 120.836 120.500 0.004 0.000 2.426 213 R HA 0.100 4.441 4.340 0.002 0.000 0.263 213 R C 1.330 177.613 176.300 -0.028 0.000 0.961 213 R CA 0.297 56.393 56.100 -0.007 0.000 1.086 213 R CB 0.209 30.605 30.300 0.160 0.000 1.186 213 R HN 0.520 nan 8.270 nan 0.000 0.537 214 S N -0.101 115.308 115.700 -0.486 0.000 2.474 214 S HA -0.163 4.308 4.470 0.002 0.000 0.235 214 S C 1.605 176.062 174.600 -0.239 0.000 0.997 214 S CA 0.451 58.135 58.200 -0.862 0.000 0.949 214 S CB -0.337 62.388 63.200 -0.791 0.000 0.766 214 S HN 0.408 nan 8.310 nan 0.000 0.517 215 F N 2.728 122.597 119.950 -0.135 0.000 2.192 215 F HA -0.122 4.406 4.527 0.003 0.000 0.301 215 F C 2.157 177.817 175.800 -0.233 0.000 1.079 215 F CA 1.871 59.785 58.000 -0.143 0.000 1.303 215 F CB -0.325 38.624 39.000 -0.086 0.000 1.024 215 F HN 0.286 nan 8.300 nan 0.000 0.494 216 E N -0.683 119.540 120.200 0.039 0.000 2.268 216 E HA -0.156 4.195 4.350 0.002 0.000 0.195 216 E C 2.240 178.821 176.600 -0.033 0.000 0.995 216 E CA 1.122 57.517 56.400 -0.008 0.000 0.836 216 E CB -0.141 29.699 29.700 0.233 0.000 0.763 216 E HN 0.321 nan 8.360 nan 0.000 0.491 217 V N -0.117 119.775 119.914 -0.035 0.000 2.379 217 V HA -0.107 4.014 4.120 0.002 0.000 0.245 217 V C 2.010 178.063 176.094 -0.069 0.000 1.044 217 V CA 1.975 64.278 62.300 0.006 0.000 1.036 217 V CB -0.154 31.697 31.823 0.046 0.000 0.664 217 V HN 0.427 nan 8.190 nan 0.000 0.453 218 G N -1.785 106.913 108.800 -0.171 0.000 2.692 218 G HA2 0.156 4.117 3.960 0.002 0.000 0.201 218 G HA3 0.156 4.117 3.960 0.002 0.000 0.201 218 G C 1.276 175.995 174.900 -0.301 0.000 1.063 218 G CA 0.015 45.008 45.100 -0.179 0.000 0.790 218 G HN 0.373 nan 8.290 nan 0.000 0.599 219 L N 0.766 121.639 121.223 -0.584 0.000 2.354 219 L HA 0.293 4.634 4.340 0.002 0.000 0.212 219 L C 3.058 179.424 176.870 -0.839 0.000 1.091 219 L CA 0.774 55.079 54.840 -0.892 0.000 0.828 219 L CB 0.124 41.150 42.059 -1.722 0.000 0.973 219 L HN 0.222 nan 8.230 nan 0.000 0.461 220 A N -0.020 122.358 122.820 -0.736 0.000 1.933 220 A HA -0.250 4.071 4.320 0.002 0.000 0.218 220 A C 2.210 179.724 177.584 -0.117 0.000 1.175 220 A CA 1.849 53.632 52.037 -0.424 0.000 0.628 220 A CB -0.355 18.359 19.000 -0.478 0.000 0.814 220 A HN 0.454 nan 8.150 nan 0.000 0.444 221 E N -0.191 119.958 120.200 -0.085 0.000 2.107 221 E HA -0.102 4.249 4.350 0.002 0.000 0.191 221 E C 1.823 178.499 176.600 0.127 0.000 0.982 221 E CA 1.189 57.635 56.400 0.076 0.000 0.809 221 E CB -0.083 29.673 29.700 0.093 0.000 0.756 221 E HN 0.328 nan 8.360 nan 0.000 0.459 222 V N 0.789 120.709 119.914 0.009 0.000 2.332 222 V HA -0.268 3.853 4.120 0.002 0.000 0.248 222 V C 2.361 178.502 176.094 0.079 0.000 1.055 222 V CA 1.948 64.271 62.300 0.038 0.000 1.038 222 V CB -0.551 31.243 31.823 -0.048 0.000 0.651 222 V HN 0.248 nan 8.190 nan 0.000 0.450 223 S N -0.697 115.039 115.700 0.061 0.000 2.370 223 S HA -0.327 4.144 4.470 0.002 0.000 0.226 223 S C 1.983 176.646 174.600 0.105 0.000 1.033 223 S CA 2.046 60.327 58.200 0.135 0.000 1.011 223 S CB -0.330 63.019 63.200 0.247 0.000 0.852 223 S HN 0.726 nan 8.310 nan 0.000 0.457 224 Q N -0.329 119.510 119.800 0.064 0.000 2.016 224 Q HA -0.137 4.204 4.340 0.002 0.000 0.200 224 Q C 1.687 177.608 176.000 -0.132 0.000 0.978 224 Q CA 1.624 57.386 55.803 -0.068 0.000 0.833 224 Q CB -0.215 28.415 28.738 -0.180 0.000 0.895 224 Q HN 0.620 nan 8.270 nan 0.000 0.427 225 Y N 0.092 120.422 120.300 0.050 0.000 2.365 225 Y HA -0.009 4.544 4.550 0.004 0.000 0.293 225 Y C 2.033 177.976 175.900 0.072 0.000 1.119 225 Y CA 0.907 59.037 58.100 0.050 0.000 1.203 225 Y CB 0.482 38.962 38.460 0.034 0.000 1.026 225 Y HN 0.170 nan 8.280 nan 0.000 0.549 226 E N -1.521 118.808 120.200 0.214 0.000 2.364 226 E HA 0.152 4.503 4.350 0.002 0.000 0.196 226 E C 1.762 178.483 176.600 0.203 0.000 0.990 226 E CA 0.843 57.352 56.400 0.182 0.000 0.886 226 E CB 0.320 30.096 29.700 0.127 0.000 0.866 226 E HN 0.444 nan 8.360 nan 0.000 0.493 227 G N 1.269 110.164 108.800 0.159 0.000 2.175 227 G HA2 -0.265 3.696 3.960 0.002 0.000 0.244 227 G HA3 -0.265 3.696 3.960 0.002 0.000 0.244 227 G C 0.399 175.390 174.900 0.151 0.000 0.982 227 G CA 0.322 45.515 45.100 0.156 0.000 0.641 227 G HN 0.160 nan 8.290 nan 0.000 0.527 228 V N 1.917 121.914 119.914 0.137 0.000 2.356 228 V HA 0.388 4.509 4.120 0.002 0.000 0.258 228 V C 0.640 176.823 176.094 0.149 0.000 1.065 228 V CA 0.071 62.443 62.300 0.119 0.000 0.935 228 V CB 0.813 32.691 31.823 0.092 0.000 1.061 228 V HN 0.436 nan 8.190 nan 0.000 0.484 229 E N 2.924 123.203 120.200 0.131 0.000 2.239 229 E HA 0.516 4.867 4.350 0.002 0.000 0.261 229 E C -0.772 175.885 176.600 0.095 0.000 1.016 229 E CA -1.085 55.398 56.400 0.137 0.000 0.882 229 E CB 2.039 31.806 29.700 0.112 0.000 1.190 229 E HN 0.419 nan 8.360 nan 0.000 0.415 230 L N 2.062 123.299 121.223 0.023 0.000 2.290 230 L HA 0.253 4.594 4.340 0.002 0.000 0.284 230 L C -1.237 175.566 176.870 -0.112 0.000 1.078 230 L CA 0.108 54.870 54.840 -0.130 0.000 0.815 230 L CB 0.426 42.177 42.059 -0.513 0.000 1.162 230 L HN 0.388 nan 8.230 nan 0.000 0.435 231 L N 6.558 127.750 121.223 -0.051 0.000 2.272 231 L HA 0.538 4.879 4.340 0.002 0.000 0.284 231 L C 0.379 177.247 176.870 -0.003 0.000 1.045 231 L CA -0.536 54.294 54.840 -0.017 0.000 0.842 231 L CB 0.856 42.935 42.059 0.033 0.000 1.224 231 L HN 0.810 nan 8.230 nan 0.000 0.430 232 A N 3.993 126.785 122.820 -0.047 0.000 2.363 232 A HA 0.507 4.828 4.320 0.002 0.000 0.270 232 A C -0.751 176.899 177.584 0.110 0.000 1.121 232 A CA -0.177 51.845 52.037 -0.025 0.000 0.800 232 A CB 0.252 19.224 19.000 -0.046 0.000 1.052 232 A HN 0.629 nan 8.150 nan 0.000 0.493 233 Y N -0.127 120.213 120.300 0.067 0.000 2.598 233 Y HA 0.599 5.150 4.550 0.002 0.000 0.340 233 Y C 0.372 176.331 175.900 0.098 0.000 1.038 233 Y CA -1.292 56.861 58.100 0.088 0.000 1.100 233 Y CB 0.745 39.283 38.460 0.129 0.000 1.281 233 Y HN 0.837 nan 8.280 nan 0.000 0.488 234 S N -0.142 115.819 115.700 0.436 0.000 3.628 234 S HA -0.250 4.221 4.470 0.002 0.000 0.373 234 S C 0.716 175.314 174.600 -0.002 0.000 0.968 234 S CA 0.760 59.110 58.200 0.251 0.000 1.215 234 S CB -1.981 61.459 63.200 0.400 0.000 0.912 234 S HN 0.842 nan 8.310 nan 0.000 0.495 235 C N 0.054 119.363 119.300 0.015 0.000 2.472 235 C HA 0.094 4.555 4.460 0.002 0.000 0.278 235 C C 1.985 176.917 174.990 -0.097 0.000 1.447 235 C CA 0.304 59.301 59.018 -0.036 0.000 1.773 235 C CB -1.115 26.632 27.740 0.012 0.000 1.793 235 C HN 0.764 nan 8.230 nan 0.000 0.544 236 L N 0.585 121.748 121.223 -0.100 0.000 2.700 236 L HA 0.248 4.589 4.340 0.002 0.000 0.234 236 L C 1.564 178.292 176.870 -0.236 0.000 1.156 236 L CA 0.443 55.210 54.840 -0.122 0.000 0.946 236 L CB -0.669 41.363 42.059 -0.045 0.000 1.216 236 L HN 0.404 nan 8.230 nan 0.000 0.493 237 G N 0.148 108.640 108.800 -0.512 0.000 2.366 237 G HA2 -0.328 3.633 3.960 0.002 0.000 0.299 237 G HA3 -0.328 3.633 3.960 0.002 0.000 0.299 237 G C 0.317 174.838 174.900 -0.632 0.000 1.020 237 G CA 0.154 44.499 45.100 -1.258 0.000 1.026 237 G HN 0.284 nan 8.290 nan 0.000 0.512 238 F N -2.392 117.379 119.950 -0.298 0.000 2.871 238 F HA -0.251 4.277 4.527 0.002 0.000 0.326 238 F C 2.084 177.886 175.800 0.003 0.000 0.675 238 F CA 2.421 60.388 58.000 -0.056 0.000 1.188 238 F CB -1.626 37.432 39.000 0.096 0.000 1.567 238 F HN 1.951 nan 8.300 nan 0.000 0.325 239 G N -1.323 107.568 108.800 0.151 0.000 2.218 239 G HA2 -0.255 3.706 3.960 0.002 0.000 0.216 239 G HA3 -0.255 3.706 3.960 0.002 0.000 0.216 239 G C 1.014 176.007 174.900 0.156 0.000 0.994 239 G CA 0.941 46.115 45.100 0.124 0.000 0.637 239 G HN 1.027 nan 8.290 nan 0.000 0.505 240 T N -0.108 114.583 114.554 0.228 0.000 2.803 240 T HA 0.019 4.370 4.350 0.002 0.000 0.269 240 T C 2.311 177.075 174.700 0.107 0.000 1.052 240 T CA 1.488 63.743 62.100 0.260 0.000 1.136 240 T CB -0.252 68.752 68.868 0.227 0.000 0.864 240 T HN 0.414 nan 8.240 nan 0.000 0.467 241 L N 2.124 123.358 121.223 0.017 0.000 2.633 241 L HA 0.024 4.365 4.340 0.002 0.000 0.235 241 L C 2.850 179.720 176.870 0.000 0.000 1.163 241 L CA 1.182 56.019 54.840 -0.005 0.000 0.859 241 L CB -0.777 41.235 42.059 -0.078 0.000 0.973 241 L HN 0.579 nan 8.230 nan 0.000 0.451 242 T N -4.479 110.072 114.554 -0.005 0.000 3.067 242 T HA 0.093 4.444 4.350 0.002 0.000 0.261 242 T C 1.615 176.298 174.700 -0.028 0.000 1.110 242 T CA 0.593 62.677 62.100 -0.027 0.000 1.113 242 T CB 0.229 69.062 68.868 -0.057 0.000 0.917 242 T HN 0.425 nan 8.240 nan 0.000 0.499 243 G N 2.456 111.251 108.800 -0.010 0.000 2.179 243 G HA2 -0.367 3.594 3.960 0.002 0.000 0.260 243 G HA3 -0.367 3.594 3.960 0.002 0.000 0.260 243 G C 0.775 175.641 174.900 -0.057 0.000 0.977 243 G CA 0.642 45.740 45.100 -0.003 0.000 0.641 243 G HN 0.814 nan 8.290 nan 0.000 0.533 244 K N -0.789 119.508 120.400 -0.172 0.000 2.360 244 K HA 0.061 4.382 4.320 0.002 0.000 0.201 244 K C 1.517 177.889 176.600 -0.379 0.000 1.046 244 K CA 1.516 57.607 56.287 -0.327 0.000 0.945 244 K CB -0.150 32.053 32.500 -0.496 0.000 0.750 244 K HN 0.409 nan 8.250 nan 0.000 0.464 245 Y N 1.224 121.539 120.300 0.025 0.000 2.467 245 Y HA 0.330 4.881 4.550 0.002 0.000 0.250 245 Y C 0.352 176.266 175.900 0.023 0.000 1.155 245 Y CA -0.878 57.240 58.100 0.030 0.000 1.249 245 Y CB 0.203 38.692 38.460 0.048 0.000 1.146 245 Y HN -0.123 nan 8.280 nan 0.000 0.524 246 L N 1.197 122.492 121.223 0.119 0.000 2.506 246 L HA -0.060 4.281 4.340 0.002 0.000 0.281 246 L C 0.562 177.469 176.870 0.063 0.000 1.228 246 L CA 0.288 55.176 54.840 0.079 0.000 0.850 246 L CB 0.131 42.215 42.059 0.042 0.000 1.110 246 L HN 0.394 nan 8.230 nan 0.000 0.496 247 N N 2.181 120.911 118.700 0.050 0.000 2.747 247 N HA -0.198 4.543 4.740 0.002 0.000 0.249 247 N C 0.814 176.351 175.510 0.045 0.000 1.107 247 N CA 1.097 54.169 53.050 0.037 0.000 0.707 247 N CB -1.297 37.205 38.487 0.025 0.000 1.054 247 N HN 1.084 nan 8.380 nan 0.000 0.555 248 G N -1.888 106.951 108.800 0.064 0.000 2.162 248 G HA2 -0.182 3.779 3.960 0.002 0.000 0.260 248 G HA3 -0.182 3.779 3.960 0.002 0.000 0.260 248 G C 0.354 175.303 174.900 0.082 0.000 0.976 248 G CA 0.940 46.080 45.100 0.066 0.000 0.655 248 G HN 1.259 nan 8.290 nan 0.000 0.533 249 A N -0.124 122.751 122.820 0.092 0.000 2.498 249 A HA 0.559 4.880 4.320 0.002 0.000 0.239 249 A C 0.710 178.382 177.584 0.147 0.000 1.068 249 A CA 0.807 52.894 52.037 0.082 0.000 0.766 249 A CB 0.265 19.287 19.000 0.038 0.000 1.003 249 A HN 0.427 nan 8.150 nan 0.000 0.497 250 K N 3.085 123.546 120.400 0.102 0.000 2.679 250 K HA 0.269 4.590 4.320 0.002 0.000 0.188 250 K C -2.756 173.885 176.600 0.068 0.000 1.055 250 K CA -1.437 54.927 56.287 0.129 0.000 1.006 250 K CB 1.068 33.619 32.500 0.086 0.000 1.317 250 K HN 0.533 nan 8.250 nan 0.000 0.584 251 P HA -0.032 nan 4.420 nan 0.000 0.264 251 P C -0.306 176.994 177.300 0.000 0.000 1.193 251 P CA -0.098 62.989 63.100 -0.021 0.000 0.763 251 P CB 0.720 32.357 31.700 -0.105 0.000 0.810 252 A N 3.042 125.855 122.820 -0.012 0.000 2.511 252 A HA 0.430 4.750 4.320 0.002 0.000 0.242 252 A C 1.573 179.143 177.584 -0.023 0.000 1.069 252 A CA 0.602 52.630 52.037 -0.016 0.000 0.763 252 A CB -1.062 17.927 19.000 -0.019 0.000 1.001 252 A HN 0.915 nan 8.150 nan 0.000 0.498 253 G N 0.677 109.456 108.800 -0.036 0.000 2.184 253 G HA2 0.101 4.062 3.960 0.002 0.000 0.264 253 G HA3 0.101 4.062 3.960 0.002 0.000 0.264 253 G C 0.644 175.527 174.900 -0.028 0.000 0.975 253 G CA 0.619 45.693 45.100 -0.044 0.000 0.642 253 G HN 2.198 nan 8.290 nan 0.000 0.536 254 A N -0.044 122.779 122.820 0.005 0.000 2.386 254 A HA 0.721 5.041 4.320 0.002 0.000 0.248 254 A C 1.410 179.055 177.584 0.102 0.000 1.082 254 A CA 1.043 53.122 52.037 0.069 0.000 0.789 254 A CB 0.257 19.317 19.000 0.099 0.000 1.025 254 A HN 0.613 nan 8.150 nan 0.000 0.490 255 R N 0.691 121.275 120.500 0.139 0.000 2.113 255 R HA -0.199 4.142 4.340 0.002 0.000 0.244 255 R C 0.758 177.167 176.300 0.181 0.000 1.142 255 R CA 2.362 58.542 56.100 0.132 0.000 0.953 255 R CB -0.160 30.108 30.300 -0.052 0.000 0.860 255 R HN 0.824 nan 8.270 nan 0.000 0.438 256 N N -0.795 118.000 118.700 0.159 0.000 2.467 256 N HA -0.023 4.718 4.740 0.002 0.000 0.184 256 N C 1.052 176.568 175.510 0.009 0.000 1.106 256 N CA 0.911 53.950 53.050 -0.018 0.000 0.892 256 N CB 0.256 38.419 38.487 -0.541 0.000 0.969 256 N HN 0.246 nan 8.380 nan 0.000 0.454 257 T N 0.709 115.327 114.554 0.107 0.000 2.809 257 T HA 0.129 4.480 4.350 0.002 0.000 0.260 257 T C 2.005 176.664 174.700 -0.068 0.000 1.039 257 T CA 0.490 62.624 62.100 0.057 0.000 1.141 257 T CB -0.004 68.920 68.868 0.094 0.000 0.869 257 T HN 0.097 nan 8.240 nan 0.000 0.437 258 L N -0.604 120.490 121.223 -0.216 0.000 2.156 258 L HA 0.142 4.483 4.340 0.002 0.000 0.208 258 L C -0.231 176.284 176.870 -0.592 0.000 1.095 258 L CA 0.839 55.344 54.840 -0.558 0.000 0.770 258 L CB -0.014 41.406 42.059 -1.065 0.000 0.914 258 L HN 0.191 nan 8.230 nan 0.000 0.439 259 F N -1.650 118.365 119.950 0.108 0.000 2.536 259 F HA 0.192 4.720 4.527 0.002 0.000 0.322 259 F C 1.024 176.879 175.800 0.092 0.000 1.144 259 F CA -1.043 57.027 58.000 0.115 0.000 0.924 259 F CB 1.382 40.538 39.000 0.261 0.000 1.181 259 F HN -0.228 nan 8.300 nan 0.000 0.438 260 S N 1.327 117.138 115.700 0.186 0.000 2.562 260 S HA 0.019 4.490 4.470 0.002 0.000 0.221 260 S C 1.709 176.336 174.600 0.046 0.000 0.975 260 S CA 0.262 58.518 58.200 0.093 0.000 0.918 260 S CB -0.169 63.058 63.200 0.044 0.000 0.772 260 S HN 0.701 nan 8.310 nan 0.000 0.531 261 R N -0.231 120.249 120.500 -0.033 0.000 2.276 261 R HA 0.257 4.598 4.340 0.002 0.000 0.203 261 R C -0.544 175.625 176.300 -0.218 0.000 1.017 261 R CA 0.293 56.278 56.100 -0.193 0.000 1.010 261 R CB -0.108 29.985 30.300 -0.344 0.000 0.900 261 R HN 0.408 nan 8.270 nan 0.000 0.469 262 F N 0.677 120.655 119.950 0.047 0.000 2.605 262 F HA 0.069 4.597 4.527 0.001 0.000 0.352 262 F C 1.176 177.124 175.800 0.248 0.000 1.236 262 F CA 0.014 58.094 58.000 0.134 0.000 1.267 262 F CB 0.665 39.642 39.000 -0.038 0.000 1.632 262 F HN -0.061 nan 8.300 nan 0.000 0.639 263 T N -2.981 111.731 114.554 0.264 0.000 3.105 263 T HA 0.071 4.422 4.350 0.002 0.000 0.253 263 T C 1.979 176.713 174.700 0.055 0.000 1.047 263 T CA -0.218 61.969 62.100 0.146 0.000 0.944 263 T CB -0.112 68.783 68.868 0.045 0.000 1.016 263 T HN 0.445 nan 8.240 nan 0.000 0.544 264 R N 0.230 120.749 120.500 0.031 0.000 2.159 264 R HA -0.056 4.285 4.340 0.002 0.000 0.237 264 R C 0.257 176.119 176.300 -0.730 0.000 1.131 264 R CA 1.259 57.113 56.100 -0.410 0.000 0.982 264 R CB -0.132 29.765 30.300 -0.672 0.000 0.868 264 R HN 0.533 nan 8.270 nan 0.000 0.453 265 Y N -1.370 118.879 120.300 -0.084 0.000 2.734 265 Y HA 0.313 4.864 4.550 0.002 0.000 0.278 265 Y C 0.633 176.529 175.900 -0.007 0.000 1.108 265 Y CA -0.366 57.689 58.100 -0.075 0.000 1.211 265 Y CB 1.171 39.551 38.460 -0.133 0.000 1.182 265 Y HN -0.064 nan 8.280 nan 0.000 0.547 266 S N -0.835 114.897 115.700 0.053 0.000 2.629 266 S HA 0.209 4.680 4.470 0.002 0.000 0.236 266 S C 1.258 175.868 174.600 0.017 0.000 1.010 266 S CA -0.147 58.078 58.200 0.043 0.000 0.981 266 S CB 0.244 63.464 63.200 0.034 0.000 0.919 266 S HN 0.538 nan 8.310 nan 0.000 0.514 267 G N 1.327 110.129 108.800 0.005 0.000 2.594 267 G HA2 0.216 4.177 3.960 0.002 0.000 0.243 267 G HA3 0.216 4.177 3.960 0.002 0.000 0.243 267 G C 0.641 175.542 174.900 0.002 0.000 1.229 267 G CA -0.206 44.894 45.100 0.001 0.000 0.843 267 G HN 0.268 nan 8.290 nan 0.000 0.578 268 E N -0.147 120.054 120.200 0.002 0.000 2.058 268 E HA -0.191 4.160 4.350 0.002 0.000 0.194 268 E C 2.407 178.995 176.600 -0.021 0.000 0.997 268 E CA 1.743 58.141 56.400 -0.003 0.000 0.801 268 E CB -0.017 29.687 29.700 0.007 0.000 0.746 268 E HN 0.479 nan 8.360 nan 0.000 0.450 269 Q N -0.360 119.439 119.800 -0.001 0.000 2.119 269 Q HA -0.085 4.256 4.340 0.002 0.000 0.201 269 Q C 2.334 178.261 176.000 -0.121 0.000 0.972 269 Q CA 1.812 57.607 55.803 -0.013 0.000 0.847 269 Q CB -0.580 28.212 28.738 0.090 0.000 0.903 269 Q HN 0.350 nan 8.270 nan 0.000 0.433 270 T N 1.624 116.153 114.554 -0.040 0.000 2.746 270 T HA -0.156 4.195 4.350 0.002 0.000 0.267 270 T C 1.865 176.528 174.700 -0.061 0.000 1.039 270 T CA 1.258 63.350 62.100 -0.014 0.000 1.142 270 T CB -0.058 68.845 68.868 0.057 0.000 0.866 270 T HN 0.351 nan 8.240 nan 0.000 0.444 271 Q N 0.499 120.264 119.800 -0.058 0.000 2.119 271 Q HA -0.035 4.306 4.340 0.002 0.000 0.201 271 Q C 2.388 178.305 176.000 -0.139 0.000 0.972 271 Q CA 1.026 56.799 55.803 -0.051 0.000 0.847 271 Q CB -0.085 28.645 28.738 -0.013 0.000 0.903 271 Q HN 0.477 nan 8.270 nan 0.000 0.433 272 K N 0.360 120.607 120.400 -0.255 0.000 2.057 272 K HA -0.105 4.216 4.320 0.002 0.000 0.207 272 K C 2.092 178.286 176.600 -0.678 0.000 1.049 272 K CA 1.142 57.179 56.287 -0.415 0.000 0.931 272 K CB -0.129 32.084 32.500 -0.479 0.000 0.714 272 K HN 0.120 nan 8.250 nan 0.000 0.440 273 A N 1.084 123.404 122.820 -0.834 0.000 1.898 273 A HA -0.099 4.222 4.320 0.002 0.000 0.216 273 A C 2.379 179.799 177.584 -0.273 0.000 1.181 273 A CA 1.184 52.817 52.037 -0.674 0.000 0.620 273 A CB -0.607 18.217 19.000 -0.294 0.000 0.819 273 A HN 0.052 nan 8.150 nan 0.000 0.442 274 V N 0.048 119.921 119.914 -0.068 0.000 2.255 274 V HA -0.303 3.818 4.120 0.002 0.000 0.247 274 V C 3.084 179.185 176.094 0.012 0.000 1.051 274 V CA 2.090 64.433 62.300 0.072 0.000 1.018 274 V CB -1.297 30.567 31.823 0.069 0.000 0.641 274 V HN 0.617 nan 8.190 nan 0.000 0.445 275 A N -0.185 122.601 122.820 -0.057 0.000 1.940 275 A HA -0.171 4.150 4.320 0.002 0.000 0.219 275 A C 2.387 179.936 177.584 -0.058 0.000 1.176 275 A CA 2.318 54.329 52.037 -0.043 0.000 0.631 275 A CB -0.742 18.225 19.000 -0.054 0.000 0.814 275 A HN 0.611 nan 8.150 nan 0.000 0.446 276 A N -1.595 121.135 122.820 -0.149 0.000 1.897 276 A HA 0.028 4.349 4.320 0.002 0.000 0.215 276 A C 2.058 179.554 177.584 -0.147 0.000 1.181 276 A CA 1.426 53.362 52.037 -0.168 0.000 0.620 276 A CB -0.684 18.174 19.000 -0.238 0.000 0.821 276 A HN 0.550 nan 8.150 nan 0.000 0.443 277 Y N -0.331 119.965 120.300 -0.006 0.000 2.263 277 Y HA -0.092 4.459 4.550 0.001 0.000 0.292 277 Y C 2.570 178.467 175.900 -0.004 0.000 1.130 277 Y CA 0.986 59.077 58.100 -0.016 0.000 1.179 277 Y CB -0.721 37.709 38.460 -0.051 0.000 0.998 277 Y HN 0.083 nan 8.280 nan 0.000 0.532 278 V N 0.247 120.245 119.914 0.141 0.000 2.407 278 V HA -0.285 3.836 4.120 0.002 0.000 0.248 278 V C 2.026 178.161 176.094 0.068 0.000 1.055 278 V CA 2.167 64.518 62.300 0.085 0.000 1.049 278 V CB -0.640 31.216 31.823 0.055 0.000 0.662 278 V HN 0.365 nan 8.190 nan 0.000 0.455 279 D N 0.202 120.634 120.400 0.053 0.000 2.123 279 D HA -0.190 4.451 4.640 0.002 0.000 0.196 279 D C 1.970 178.322 176.300 0.087 0.000 0.992 279 D CA 1.621 55.650 54.000 0.048 0.000 0.833 279 D CB -0.170 40.645 40.800 0.025 0.000 0.954 279 D HN 0.439 nan 8.370 nan 0.000 0.455 280 I N 0.521 121.161 120.570 0.117 0.000 2.127 280 I HA -0.292 3.879 4.170 0.002 0.000 0.241 280 I C 2.556 178.801 176.117 0.214 0.000 1.075 280 I CA 1.251 62.665 61.300 0.190 0.000 1.334 280 I CB -0.468 37.625 38.000 0.156 0.000 1.040 280 I HN 0.106 nan 8.210 nan 0.000 0.405 281 A N 0.800 123.705 122.820 0.142 0.000 1.877 281 A HA -0.221 4.100 4.320 0.002 0.000 0.216 281 A C 2.399 180.046 177.584 0.106 0.000 1.186 281 A CA 1.657 53.764 52.037 0.117 0.000 0.620 281 A CB -0.623 18.423 19.000 0.077 0.000 0.822 281 A HN 0.319 nan 8.150 nan 0.000 0.443 282 R N -0.894 119.651 120.500 0.075 0.000 2.073 282 R HA -0.074 4.267 4.340 0.002 0.000 0.234 282 R C 2.460 178.774 176.300 0.023 0.000 1.134 282 R CA 1.559 57.684 56.100 0.042 0.000 0.952 282 R CB -0.303 30.013 30.300 0.026 0.000 0.850 282 R HN 0.459 nan 8.270 nan 0.000 0.433 283 R N -0.439 120.071 120.500 0.017 0.000 2.152 283 R HA -0.072 4.269 4.340 0.002 0.000 0.232 283 R C 1.283 177.448 176.300 -0.225 0.000 1.117 283 R CA 0.937 56.978 56.100 -0.098 0.000 0.981 283 R CB -0.034 30.193 30.300 -0.122 0.000 0.870 283 R HN 0.436 nan 8.270 nan 0.000 0.451 284 H N -1.246 117.837 119.070 0.022 0.000 2.520 284 H HA 0.157 4.714 4.556 0.002 0.000 0.284 284 H C 0.840 176.180 175.328 0.021 0.000 1.037 284 H CA 0.659 56.721 56.048 0.023 0.000 1.168 284 H CB 1.103 30.883 29.762 0.030 0.000 1.497 284 H HN 0.425 nan 8.280 nan 0.000 0.547 285 G N 1.424 110.272 108.800 0.078 0.000 2.160 285 G HA2 -0.247 3.714 3.960 0.002 0.000 0.244 285 G HA3 -0.247 3.714 3.960 0.002 0.000 0.244 285 G C -0.034 174.901 174.900 0.058 0.000 1.022 285 G CA 0.060 45.191 45.100 0.051 0.000 0.741 285 G HN 0.255 nan 8.290 nan 0.000 0.508 286 L N -0.003 121.263 121.223 0.071 0.000 2.334 286 L HA 0.521 4.862 4.340 0.002 0.000 0.273 286 L C 0.270 177.165 176.870 0.041 0.000 1.013 286 L CA -1.179 53.694 54.840 0.057 0.000 0.816 286 L CB 1.457 43.555 42.059 0.065 0.000 1.278 286 L HN 0.120 nan 8.230 nan 0.000 0.431 287 D N 2.694 123.112 120.400 0.030 0.000 2.371 287 D HA 0.074 4.715 4.640 0.002 0.000 0.256 287 D C -1.835 174.476 176.300 0.019 0.000 1.193 287 D CA -1.307 52.704 54.000 0.019 0.000 0.881 287 D CB 1.951 42.759 40.800 0.014 0.000 1.143 287 D HN 0.246 nan 8.370 nan 0.000 0.473 288 P HA -0.128 nan 4.420 nan 0.000 0.216 288 P C 0.969 178.268 177.300 -0.001 0.000 1.150 288 P CA 1.310 64.420 63.100 0.016 0.000 0.837 288 P CB 0.192 31.902 31.700 0.017 0.000 0.786 289 A N -0.325 122.491 122.820 -0.007 0.000 1.902 289 A HA -0.254 4.067 4.320 0.002 0.000 0.217 289 A C 2.251 179.828 177.584 -0.010 0.000 1.181 289 A CA 1.546 53.574 52.037 -0.015 0.000 0.623 289 A CB -1.250 17.741 19.000 -0.014 0.000 0.818 289 A HN 0.194 nan 8.150 nan 0.000 0.443 290 Q N -1.408 118.392 119.800 -0.001 0.000 2.119 290 Q HA -0.109 4.232 4.340 0.002 0.000 0.201 290 Q C 2.182 178.185 176.000 0.006 0.000 0.972 290 Q CA 1.377 57.181 55.803 0.003 0.000 0.847 290 Q CB -0.233 28.512 28.738 0.012 0.000 0.903 290 Q HN 0.785 nan 8.270 nan 0.000 0.433 291 M N 0.252 119.858 119.600 0.011 0.000 2.108 291 M HA -0.196 4.285 4.480 0.002 0.000 0.261 291 M C 2.085 178.392 176.300 0.013 0.000 1.066 291 M CA 1.721 57.032 55.300 0.018 0.000 1.107 291 M CB -0.101 32.511 32.600 0.020 0.000 1.356 291 M HN 0.232 nan 8.290 nan 0.000 0.406 292 A N 0.357 123.163 122.820 -0.023 0.000 1.898 292 A HA -0.123 4.198 4.320 0.002 0.000 0.216 292 A C 1.967 179.560 177.584 0.015 0.000 1.181 292 A CA 1.361 53.368 52.037 -0.050 0.000 0.620 292 A CB -0.899 18.043 19.000 -0.098 0.000 0.819 292 A HN 0.584 nan 8.150 nan 0.000 0.442 293 L N -0.902 120.322 121.223 0.001 0.000 2.093 293 L HA -0.147 4.194 4.340 0.002 0.000 0.208 293 L C 3.060 179.925 176.870 -0.008 0.000 1.085 293 L CA 0.963 55.801 54.840 -0.004 0.000 0.755 293 L CB -0.497 41.550 42.059 -0.021 0.000 0.904 293 L HN 0.429 nan 8.230 nan 0.000 0.435 294 A N -0.246 122.573 122.820 -0.001 0.000 1.930 294 A HA -0.249 4.072 4.320 0.002 0.000 0.217 294 A C 2.160 179.727 177.584 -0.028 0.000 1.175 294 A CA 1.221 53.242 52.037 -0.026 0.000 0.627 294 A CB -0.761 18.234 19.000 -0.009 0.000 0.815 294 A HN 0.402 nan 8.150 nan 0.000 0.443 295 F N 0.777 120.678 119.950 -0.082 0.000 2.126 295 F HA -0.177 4.351 4.527 0.001 0.000 0.299 295 F C 2.163 177.934 175.800 -0.049 0.000 1.096 295 F CA 2.046 60.000 58.000 -0.076 0.000 1.255 295 F CB -0.238 38.697 39.000 -0.109 0.000 0.997 295 F HN 0.036 nan 8.300 nan 0.000 0.479 296 V N 0.955 120.882 119.914 0.021 0.000 2.307 296 V HA -0.273 3.848 4.120 0.002 0.000 0.245 296 V C 2.557 178.498 176.094 -0.255 0.000 1.045 296 V CA 2.192 64.478 62.300 -0.024 0.000 1.024 296 V CB -0.831 31.057 31.823 0.107 0.000 0.651 296 V HN 0.335 nan 8.190 nan 0.000 0.449 297 R N 1.056 121.430 120.500 -0.210 0.000 2.127 297 R HA -0.206 4.135 4.340 0.002 0.000 0.238 297 R C 2.428 178.535 176.300 -0.321 0.000 1.134 297 R CA 1.844 57.795 56.100 -0.249 0.000 0.975 297 R CB -0.284 29.905 30.300 -0.185 0.000 0.865 297 R HN 0.654 nan 8.270 nan 0.000 0.447 298 R N 0.246 120.543 120.500 -0.338 0.000 2.316 298 R HA 0.007 4.348 4.340 0.002 0.000 0.202 298 R C -0.205 175.831 176.300 -0.440 0.000 1.029 298 R CA 0.282 56.179 56.100 -0.339 0.000 1.018 298 R CB 0.037 30.166 30.300 -0.285 0.000 0.888 298 R HN 0.149 nan 8.270 nan 0.000 0.471 299 Q N 1.756 121.185 119.800 -0.619 0.000 2.314 299 Q HA 0.135 4.476 4.340 0.002 0.000 0.258 299 Q C -1.733 173.768 176.000 -0.832 0.000 0.954 299 Q CA -2.343 52.943 55.803 -0.861 0.000 0.890 299 Q CB 1.275 29.138 28.738 -1.458 0.000 1.210 299 Q HN 0.072 nan 8.270 nan 0.000 0.410 300 P HA -0.091 nan 4.420 nan 0.000 0.226 300 P C 0.719 177.823 177.300 -0.327 0.000 1.153 300 P CA 1.000 63.878 63.100 -0.371 0.000 0.777 300 P CB -0.021 31.579 31.700 -0.167 0.000 0.794 301 F N -1.866 117.968 119.950 -0.192 0.000 2.797 301 F HA 0.240 4.769 4.527 0.002 0.000 0.302 301 F C 0.551 176.187 175.800 -0.272 0.000 1.130 301 F CA -0.633 57.273 58.000 -0.158 0.000 1.387 301 F CB -1.233 37.758 39.000 -0.015 0.000 1.107 301 F HN -0.403 nan 8.300 nan 0.000 0.577 302 V N 2.083 121.652 119.914 -0.576 0.000 2.389 302 V HA 0.444 4.565 4.120 0.002 0.000 0.264 302 V C 1.206 177.065 176.094 -0.391 0.000 1.049 302 V CA 0.187 62.213 62.300 -0.456 0.000 0.932 302 V CB 0.222 31.712 31.823 -0.555 0.000 1.011 302 V HN 0.449 nan 8.190 nan 0.000 0.475 303 A N 4.186 126.848 122.820 -0.264 0.000 1.930 303 A HA 0.213 4.534 4.320 0.002 0.000 0.215 303 A C 1.168 178.654 177.584 -0.162 0.000 1.176 303 A CA 1.062 52.960 52.037 -0.233 0.000 0.632 303 A CB 0.161 19.176 19.000 0.025 0.000 0.819 303 A HN 0.713 nan 8.150 nan 0.000 0.445 304 S N -2.328 113.293 115.700 -0.130 0.000 2.550 304 S HA 0.522 4.993 4.470 0.002 0.000 0.270 304 S C -1.116 173.426 174.600 -0.097 0.000 1.145 304 S CA -0.445 57.694 58.200 -0.103 0.000 0.852 304 S CB 1.515 64.688 63.200 -0.046 0.000 1.119 304 S HN 0.176 nan 8.310 nan 0.000 0.465 305 T N 3.833 118.335 114.554 -0.086 0.000 2.749 305 T HA 0.459 4.810 4.350 0.002 0.000 0.287 305 T C -0.455 174.234 174.700 -0.018 0.000 0.970 305 T CA -0.366 61.702 62.100 -0.052 0.000 0.980 305 T CB 0.387 69.216 68.868 -0.065 0.000 0.924 305 T HN 0.485 nan 8.240 nan 0.000 0.456 306 L N 4.839 126.076 121.223 0.023 0.000 2.295 306 L HA 0.379 4.720 4.340 0.002 0.000 0.288 306 L C 0.134 177.020 176.870 0.027 0.000 1.079 306 L CA -0.593 54.266 54.840 0.031 0.000 0.830 306 L CB 0.178 42.279 42.059 0.071 0.000 1.200 306 L HN 0.410 nan 8.230 nan 0.000 0.438 307 L N 2.845 124.070 121.223 0.004 0.000 2.417 307 L HA 0.501 4.842 4.340 0.002 0.000 0.268 307 L C 0.809 177.673 176.870 -0.010 0.000 1.158 307 L CA -0.180 54.662 54.840 0.003 0.000 0.819 307 L CB 0.732 42.794 42.059 0.005 0.000 1.112 307 L HN 0.607 nan 8.230 nan 0.000 0.458 308 G N 0.994 109.790 108.800 -0.006 0.000 2.542 308 G HA2 0.767 4.728 3.960 0.002 0.000 0.311 308 G HA3 0.767 4.728 3.960 0.002 0.000 0.311 308 G C -1.521 173.379 174.900 0.000 0.000 1.298 308 G CA -0.341 44.741 45.100 -0.029 0.000 0.973 308 G HN 0.818 nan 8.290 nan 0.000 0.487 309 A N 0.932 123.766 122.820 0.024 0.000 2.574 309 A HA 0.763 5.084 4.320 0.002 0.000 0.297 309 A C 0.445 178.078 177.584 0.082 0.000 1.062 309 A CA 0.160 52.224 52.037 0.045 0.000 0.686 309 A CB 1.487 20.518 19.000 0.053 0.000 1.285 309 A HN 1.417 nan 8.150 nan 0.000 0.403 310 T N -2.322 112.264 114.554 0.053 0.000 3.010 310 T HA 0.387 4.738 4.350 0.002 0.000 0.257 310 T C 0.622 175.342 174.700 0.032 0.000 1.020 310 T CA 0.961 63.101 62.100 0.067 0.000 0.938 310 T CB -0.387 68.511 68.868 0.050 0.000 1.049 310 T HN 1.615 nan 8.240 nan 0.000 0.522 311 T N -1.357 113.202 114.554 0.009 0.000 2.906 311 T HA 0.570 4.921 4.350 0.002 0.000 0.295 311 T C 1.000 175.674 174.700 -0.044 0.000 1.075 311 T CA -1.007 61.079 62.100 -0.022 0.000 1.005 311 T CB 1.701 70.550 68.868 -0.032 0.000 1.136 311 T HN -0.193 nan 8.240 nan 0.000 0.498 312 M N 0.941 120.494 119.600 -0.079 0.000 2.159 312 M HA -0.027 4.454 4.480 0.002 0.000 0.263 312 M C 1.700 177.905 176.300 -0.159 0.000 1.063 312 M CA 1.673 56.887 55.300 -0.144 0.000 1.110 312 M CB -1.527 30.966 32.600 -0.178 0.000 1.374 312 M HN 0.896 nan 8.290 nan 0.000 0.411 313 D N -0.019 120.317 120.400 -0.108 0.000 2.144 313 D HA -0.167 4.474 4.640 0.002 0.000 0.199 313 D C 2.040 178.302 176.300 -0.064 0.000 0.984 313 D CA 1.275 55.221 54.000 -0.089 0.000 0.834 313 D CB 0.155 40.918 40.800 -0.062 0.000 0.955 313 D HN 0.421 nan 8.370 nan 0.000 0.465 314 Q N -0.658 119.113 119.800 -0.047 0.000 2.050 314 Q HA -0.119 4.222 4.340 0.002 0.000 0.202 314 Q C 2.152 178.144 176.000 -0.014 0.000 0.980 314 Q CA 0.855 56.643 55.803 -0.025 0.000 0.840 314 Q CB -0.146 28.583 28.738 -0.015 0.000 0.898 314 Q HN 0.304 nan 8.270 nan 0.000 0.424 315 L N 1.317 122.529 121.223 -0.019 0.000 2.046 315 L HA -0.196 4.145 4.340 0.002 0.000 0.208 315 L C 1.867 178.766 176.870 0.047 0.000 1.077 315 L CA 1.854 56.707 54.840 0.022 0.000 0.747 315 L CB -0.253 41.827 42.059 0.036 0.000 0.896 315 L HN 0.005 nan 8.230 nan 0.000 0.432 316 K N -1.297 119.076 120.400 -0.046 0.000 2.063 316 K HA -0.167 4.154 4.320 0.002 0.000 0.208 316 K C 1.946 178.585 176.600 0.066 0.000 1.048 316 K CA 2.008 58.308 56.287 0.021 0.000 0.928 316 K CB -0.475 31.956 32.500 -0.115 0.000 0.713 316 K HN 0.391 nan 8.250 nan 0.000 0.442 317 T N 1.418 115.984 114.554 0.021 0.000 2.708 317 T HA -0.093 4.257 4.350 0.002 0.000 0.266 317 T C 1.541 176.258 174.700 0.029 0.000 1.037 317 T CA 1.415 63.530 62.100 0.024 0.000 1.146 317 T CB -0.261 68.609 68.868 0.003 0.000 0.865 317 T HN 0.207 nan 8.240 nan 0.000 0.435 318 N N 1.207 119.922 118.700 0.025 0.000 2.166 318 N HA 0.025 4.766 4.740 0.002 0.000 0.186 318 N C 1.822 177.343 175.510 0.017 0.000 1.019 318 N CA 0.895 53.955 53.050 0.017 0.000 0.856 318 N CB -0.449 38.046 38.487 0.015 0.000 0.993 318 N HN 0.396 nan 8.380 nan 0.000 0.426 319 I N 1.245 121.847 120.570 0.052 0.000 2.394 319 I HA -0.161 4.010 4.170 0.002 0.000 0.251 319 I C 1.665 177.789 176.117 0.012 0.000 1.136 319 I CA 0.943 62.264 61.300 0.036 0.000 1.425 319 I CB -0.169 37.891 38.000 0.101 0.000 1.079 319 I HN 0.128 nan 8.210 nan 0.000 0.425 320 E N 0.483 120.722 120.200 0.066 0.000 2.409 320 E HA -0.151 4.200 4.350 0.002 0.000 0.198 320 E C 2.148 178.775 176.600 0.047 0.000 1.024 320 E CA 1.111 57.576 56.400 0.107 0.000 0.861 320 E CB -0.027 29.751 29.700 0.130 0.000 0.788 320 E HN 0.520 nan 8.360 nan 0.000 0.521 321 S N 0.902 116.596 115.700 -0.010 0.000 2.469 321 S HA -0.160 4.311 4.470 0.002 0.000 0.238 321 S C 1.964 176.503 174.600 -0.102 0.000 0.998 321 S CA 0.474 58.655 58.200 -0.032 0.000 0.957 321 S CB -0.213 62.969 63.200 -0.031 0.000 0.764 321 S HN 0.222 nan 8.310 nan 0.000 0.514 322 L N 2.097 123.189 121.223 -0.217 0.000 2.129 322 L HA -0.137 4.204 4.340 0.002 0.000 0.212 322 L C 1.992 178.630 176.870 -0.386 0.000 1.087 322 L CA 1.879 56.501 54.840 -0.363 0.000 0.757 322 L CB -0.720 41.007 42.059 -0.553 0.000 0.896 322 L HN 0.451 nan 8.230 nan 0.000 0.434 323 H N -1.545 117.510 119.070 -0.025 0.000 2.551 323 H HA 0.226 4.783 4.556 0.002 0.000 0.271 323 H C 0.280 175.598 175.328 -0.016 0.000 0.984 323 H CA -0.463 55.572 56.048 -0.020 0.000 1.164 323 H CB 0.108 29.863 29.762 -0.011 0.000 1.437 323 H HN 0.184 nan 8.280 nan 0.000 0.550 324 L N 3.529 124.782 121.223 0.050 0.000 2.360 324 L HA 0.107 4.448 4.340 0.002 0.000 0.276 324 L C 0.543 177.420 176.870 0.012 0.000 1.121 324 L CA -0.267 54.594 54.840 0.035 0.000 0.845 324 L CB 0.523 42.595 42.059 0.022 0.000 1.143 324 L HN 0.229 nan 8.230 nan 0.000 0.452 325 E N 5.643 125.853 120.200 0.018 0.000 2.158 325 E HA 0.403 4.754 4.350 0.002 0.000 0.271 325 E C -1.256 175.348 176.600 0.007 0.000 0.911 325 E CA -0.802 55.600 56.400 0.003 0.000 0.767 325 E CB 1.257 30.957 29.700 0.001 0.000 1.120 325 E HN 0.561 nan 8.360 nan 0.000 0.405 326 L N 3.110 124.334 121.223 0.003 0.000 2.367 326 L HA 0.157 4.498 4.340 0.002 0.000 0.275 326 L C 0.801 177.671 176.870 0.000 0.000 1.129 326 L CA -0.465 54.380 54.840 0.008 0.000 0.839 326 L CB 0.921 42.996 42.059 0.026 0.000 1.133 326 L HN 0.717 nan 8.230 nan 0.000 0.453 327 S N 1.072 116.766 115.700 -0.010 0.000 2.614 327 S HA 0.072 4.543 4.470 0.002 0.000 0.265 327 S C 0.886 175.475 174.600 -0.019 0.000 1.303 327 S CA -0.584 57.610 58.200 -0.010 0.000 1.000 327 S CB 1.430 64.629 63.200 -0.003 0.000 0.935 327 S HN 0.735 nan 8.310 nan 0.000 0.551 328 E N 0.561 120.758 120.200 -0.005 0.000 2.097 328 E HA -0.219 4.132 4.350 0.002 0.000 0.196 328 E C 0.999 177.590 176.600 -0.015 0.000 1.000 328 E CA 1.785 58.185 56.400 -0.000 0.000 0.804 328 E CB -0.121 29.585 29.700 0.010 0.000 0.740 328 E HN 0.728 nan 8.360 nan 0.000 0.454 329 D N -0.532 119.848 120.400 -0.033 0.000 2.117 329 D HA -0.121 4.520 4.640 0.002 0.000 0.198 329 D C 1.947 178.142 176.300 -0.175 0.000 0.982 329 D CA 0.655 54.620 54.000 -0.059 0.000 0.828 329 D CB -0.145 40.652 40.800 -0.006 0.000 0.967 329 D HN 0.061 nan 8.370 nan 0.000 0.464 330 V N 0.785 120.536 119.914 -0.273 0.000 2.358 330 V HA -0.188 3.933 4.120 0.002 0.000 0.246 330 V C 2.571 178.613 176.094 -0.086 0.000 1.047 330 V CA 1.057 63.176 62.300 -0.301 0.000 1.035 330 V CB -0.360 31.322 31.823 -0.235 0.000 0.658 330 V HN 0.201 nan 8.190 nan 0.000 0.452 331 L N -0.046 121.163 121.223 -0.024 0.000 2.083 331 L HA -0.176 4.165 4.340 0.002 0.000 0.209 331 L C 2.674 179.579 176.870 0.058 0.000 1.083 331 L CA 1.590 56.463 54.840 0.054 0.000 0.752 331 L CB -0.746 41.351 42.059 0.063 0.000 0.899 331 L HN 0.370 nan 8.230 nan 0.000 0.433 332 A N -0.325 122.512 122.820 0.028 0.000 1.898 332 A HA -0.189 4.132 4.320 0.002 0.000 0.216 332 A C 2.188 179.797 177.584 0.042 0.000 1.181 332 A CA 1.414 53.474 52.037 0.038 0.000 0.620 332 A CB -0.353 18.663 19.000 0.027 0.000 0.819 332 A HN 0.429 nan 8.150 nan 0.000 0.442 333 E N -0.339 119.875 120.200 0.024 0.000 2.106 333 E HA -0.139 4.211 4.350 0.002 0.000 0.192 333 E C 1.899 178.543 176.600 0.074 0.000 0.984 333 E CA 1.086 57.510 56.400 0.040 0.000 0.806 333 E CB -0.279 29.441 29.700 0.033 0.000 0.750 333 E HN 0.692 nan 8.360 nan 0.000 0.458 334 I N 1.375 122.002 120.570 0.095 0.000 2.226 334 I HA -0.249 3.922 4.170 0.002 0.000 0.245 334 I C 2.368 178.590 176.117 0.176 0.000 1.100 334 I CA 0.983 62.385 61.300 0.169 0.000 1.374 334 I CB -0.111 37.917 38.000 0.048 0.000 1.057 334 I HN 0.017 nan 8.210 nan 0.000 0.413 335 E N 0.785 121.064 120.200 0.133 0.000 2.106 335 E HA -0.163 4.188 4.350 0.002 0.000 0.192 335 E C 2.290 178.966 176.600 0.127 0.000 0.984 335 E CA 1.374 57.865 56.400 0.151 0.000 0.806 335 E CB -0.309 29.469 29.700 0.129 0.000 0.750 335 E HN 0.488 nan 8.360 nan 0.000 0.458 336 A N 0.803 123.670 122.820 0.077 0.000 1.930 336 A HA -0.115 4.206 4.320 0.002 0.000 0.217 336 A C 2.582 180.167 177.584 0.001 0.000 1.175 336 A CA 1.280 53.334 52.037 0.028 0.000 0.627 336 A CB -0.552 18.456 19.000 0.014 0.000 0.815 336 A HN 0.140 nan 8.150 nan 0.000 0.443 337 V N -0.485 119.444 119.914 0.024 0.000 2.427 337 V HA -0.255 3.866 4.120 0.002 0.000 0.248 337 V C 2.439 178.561 176.094 0.046 0.000 1.051 337 V CA 2.060 64.339 62.300 -0.034 0.000 1.048 337 V CB -0.955 30.729 31.823 -0.232 0.000 0.666 337 V HN 0.777 nan 8.190 nan 0.000 0.456 338 H N -0.350 118.758 119.070 0.063 0.000 2.423 338 H HA -0.124 4.433 4.556 0.001 0.000 0.297 338 H C 2.379 177.691 175.328 -0.028 0.000 1.075 338 H CA 1.229 57.328 56.048 0.084 0.000 1.342 338 H CB 0.342 30.164 29.762 0.100 0.000 1.395 338 H HN 0.386 nan 8.280 nan 0.000 0.530 339 Q N 0.314 120.061 119.800 -0.088 0.000 2.170 339 Q HA -0.092 4.249 4.340 0.002 0.000 0.203 339 Q C 2.549 178.389 176.000 -0.267 0.000 0.976 339 Q CA 0.930 56.626 55.803 -0.179 0.000 0.858 339 Q CB -0.100 28.581 28.738 -0.094 0.000 0.907 339 Q HN 0.390 nan 8.270 nan 0.000 0.433 340 V N -0.696 119.018 119.914 -0.333 0.000 2.407 340 V HA -0.157 3.964 4.120 0.002 0.000 0.245 340 V C 0.371 176.055 176.094 -0.684 0.000 1.041 340 V CA 1.198 63.158 62.300 -0.566 0.000 1.040 340 V CB -0.250 31.096 31.823 -0.795 0.000 0.671 340 V HN 0.207 nan 8.190 nan 0.000 0.455 341 Y N 0.132 120.339 120.300 -0.156 0.000 2.919 341 Y HA 0.475 5.026 4.550 0.002 0.000 0.341 341 Y C 0.404 176.171 175.900 -0.222 0.000 1.045 341 Y CA -0.815 57.209 58.100 -0.128 0.000 1.218 341 Y CB 0.319 38.742 38.460 -0.060 0.000 1.137 341 Y HN -0.112 nan 8.280 nan 0.000 0.577 342 T N 2.838 117.226 114.554 -0.278 0.000 2.749 342 T HA 0.136 4.487 4.350 0.002 0.000 0.295 342 T C -0.675 173.881 174.700 -0.239 0.000 0.936 342 T CA -0.338 61.379 62.100 -0.639 0.000 1.060 342 T CB -0.093 68.369 68.868 -0.677 0.000 0.904 342 T HN 0.426 nan 8.240 nan 0.000 0.500 343 Y N 2.088 122.461 120.300 0.121 0.000 2.981 343 Y HA -0.148 4.403 4.550 0.001 0.000 0.204 343 Y C -1.304 174.660 175.900 0.106 0.000 1.265 343 Y CA -0.741 57.456 58.100 0.160 0.000 0.941 343 Y CB -2.120 36.417 38.460 0.128 0.000 1.254 343 Y HN 0.588 nan 8.280 nan 0.000 0.469 344 P HA 0.111 nan 4.420 nan 0.000 0.225 344 P C 0.503 177.871 177.300 0.114 0.000 1.156 344 P CA 1.693 64.888 63.100 0.160 0.000 0.787 344 P CB 0.552 32.343 31.700 0.152 0.000 0.802 345 A N 1.087 123.982 122.820 0.124 0.000 3.105 345 A HA 0.516 4.837 4.320 0.002 0.000 0.336 345 A C -2.442 175.132 177.584 -0.018 0.000 1.042 345 A CA -1.518 50.528 52.037 0.014 0.000 0.851 345 A CB 0.323 19.356 19.000 0.055 0.000 1.068 345 A HN 0.051 nan 8.150 nan 0.000 0.477 346 P HA 0.000 nan 4.420 nan 0.000 0.216 346 P CA 0.000 63.101 63.100 0.001 0.000 0.800 346 P CB 0.000 31.719 31.700 0.032 0.000 0.726