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 2id5_1_A DATA FIRST_RESID 1 DATA SEQUENCE TGcPPRcEcS AQDRAVLcHR KRFVAVPEGI PTETRLLDLG KNRIKTLNQD DATA SEQUENCE EFASFPHLEE LELNENIVSA VEPGAFNNLF NLRTLGLRSN RLKLIPLGVF DATA SEQUENCE TGLSNLTKLD ISENKIVILL DYMFQDLYNL KSLEVGDNDL VYISHRAFSG DATA SEQUENCE LNSLEQLTLE KCNLTSIPTE ALSHLHGLIV LRLRHLNINA IRDYSFKRLY DATA SEQUENCE RLKVLEISHW PYLDTMTPNC LYGLNLTSLS ITHCNLTAVP YLAVRHLVYL DATA SEQUENCE RFLNLSYNPI STIEGSMLHE LLRLQEIQLV GGQLAVVEPY AFRGLNYLRV DATA SEQUENCE LNVSGNQLTT LEESVFHSVG NLETLILDSN PLAcDcRLLW VFRRRWRLNF DATA SEQUENCE NRQQPTcATP EFVQGKEFKD FPDVLLPNYF TcRRARIRDR KAQQVFVDEG DATA SEQUENCE HTVQFVcRAD GDPPPAILWL SPRKHLVXXX XXXXLTVFPD GTLEVRYAQV DATA SEQUENCE QDNGTYLcIA ANAGGNDSMP AHLHVRS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.720 174.700 0.033 0.000 1.109 1 T CA 0.000 62.118 62.100 0.030 0.000 1.349 1 T CB 0.000 68.882 68.868 0.024 0.000 0.612 2 G N 1.054 109.872 108.800 0.030 0.000 2.587 2 G HA2 0.341 4.301 3.960 -0.000 0.000 0.686 2 G HA3 0.341 4.301 3.960 -0.000 0.000 0.686 2 G C -0.672 174.249 174.900 0.035 0.000 1.236 2 G CA -0.183 44.936 45.100 0.032 0.000 0.820 2 G HN 1.778 nan 8.290 nan 0.000 0.645 3 c N 2.114 120.734 118.600 0.035 0.000 3.247 3 c HA 0.730 5.299 4.570 -0.000 0.000 0.375 3 c C -2.425 171.689 174.090 0.039 0.000 1.102 3 c CA -0.749 55.602 56.329 0.036 0.000 1.227 3 c CB 1.271 43.803 42.510 0.036 0.000 1.586 3 c HN 0.888 nan 8.230 nan 0.000 0.544 4 P HA 0.229 nan 4.420 nan 0.000 0.269 4 P C -2.616 174.745 177.300 0.101 0.000 1.215 4 P CA -0.551 62.579 63.100 0.050 0.000 0.780 4 P CB 0.109 31.837 31.700 0.048 0.000 0.898 5 P HA 0.022 nan 4.420 nan 0.000 0.266 5 P C 0.237 177.618 177.300 0.134 0.000 1.215 5 P CA 0.361 63.532 63.100 0.119 0.000 0.763 5 P CB 0.331 32.104 31.700 0.122 0.000 0.806 6 R N -1.168 119.382 120.500 0.083 0.000 3.892 6 R HA -0.113 4.227 4.340 -0.000 0.000 0.441 6 R C -0.017 176.318 176.300 0.059 0.000 1.052 6 R CA 0.456 56.591 56.100 0.058 0.000 1.190 6 R CB -2.754 27.571 30.300 0.041 0.000 1.808 6 R HN 0.484 nan 8.270 nan 0.000 0.538 7 c N 1.036 119.683 118.600 0.079 0.000 2.347 7 c HA 0.373 4.943 4.570 -0.000 0.000 0.366 7 c C 1.001 175.120 174.090 0.048 0.000 1.241 7 c CA -0.491 55.880 56.329 0.071 0.000 2.360 7 c CB 1.208 43.776 42.510 0.097 0.000 2.290 7 c HN 0.200 nan 8.230 nan 0.000 0.587 8 E N 0.239 120.464 120.200 0.041 0.000 2.133 8 E HA 0.461 4.811 4.350 -0.000 0.000 0.274 8 E C -1.284 175.332 176.600 0.027 0.000 0.930 8 E CA -0.139 56.282 56.400 0.035 0.000 0.770 8 E CB 0.940 30.666 29.700 0.042 0.000 1.104 8 E HN 0.585 nan 8.360 nan 0.000 0.403 9 c N 2.469 121.084 118.600 0.025 0.000 2.481 9 c HA 0.474 5.044 4.570 -0.000 0.000 0.324 9 c C -0.239 173.863 174.090 0.019 0.000 1.170 9 c CA -0.987 55.354 56.329 0.020 0.000 1.361 9 c CB 0.923 43.447 42.510 0.023 0.000 1.977 9 c HN 0.770 nan 8.230 nan 0.000 0.459 10 S N 1.322 117.032 115.700 0.016 0.000 2.449 10 S HA 0.643 5.113 4.470 -0.000 0.000 0.310 10 S C 0.403 175.012 174.600 0.015 0.000 1.096 10 S CA -0.109 58.100 58.200 0.015 0.000 1.095 10 S CB 1.711 64.919 63.200 0.013 0.000 1.007 10 S HN 0.983 nan 8.310 nan 0.000 0.474 11 A N 2.030 124.859 122.820 0.015 0.000 2.167 11 A HA 0.004 4.324 4.320 -0.000 0.000 0.214 11 A C 1.942 179.534 177.584 0.013 0.000 1.151 11 A CA 0.996 53.043 52.037 0.017 0.000 0.735 11 A CB -0.498 18.513 19.000 0.017 0.000 0.802 11 A HN 0.972 nan 8.150 nan 0.000 0.467 12 Q N -1.787 118.018 119.800 0.009 0.000 2.316 12 Q HA 0.089 4.429 4.340 -0.000 0.000 0.235 12 Q C 0.194 176.197 176.000 0.004 0.000 0.863 12 Q CA 0.624 56.430 55.803 0.006 0.000 0.939 12 Q CB -0.051 28.690 28.738 0.005 0.000 1.108 12 Q HN 0.287 nan 8.270 nan 0.000 0.522 13 D N 1.416 121.819 120.400 0.006 0.000 2.347 13 D HA 0.073 4.713 4.640 -0.000 0.000 0.213 13 D C -0.307 175.997 176.300 0.006 0.000 0.985 13 D CA 0.182 54.185 54.000 0.005 0.000 0.879 13 D CB 0.155 40.959 40.800 0.006 0.000 0.919 13 D HN 0.170 nan 8.370 nan 0.000 0.526 14 R N -0.515 119.991 120.500 0.009 0.000 3.251 14 R HA -0.165 4.175 4.340 -0.000 0.000 0.249 14 R C -0.574 175.730 176.300 0.008 0.000 0.949 14 R CA 0.474 56.583 56.100 0.015 0.000 0.645 14 R CB -2.034 28.278 30.300 0.021 0.000 1.065 14 R HN 0.207 nan 8.270 nan 0.000 0.452 15 A N 0.079 122.901 122.820 0.003 0.000 2.340 15 A HA 0.784 5.103 4.320 -0.000 0.000 0.331 15 A C -0.238 177.339 177.584 -0.011 0.000 1.140 15 A CA -0.515 51.517 52.037 -0.007 0.000 0.801 15 A CB 1.857 20.856 19.000 -0.001 0.000 1.234 15 A HN 0.061 nan 8.150 nan 0.000 0.469 16 V N 2.089 121.986 119.914 -0.029 0.000 2.623 16 V HA 0.486 4.605 4.120 -0.000 0.000 0.304 16 V C -0.968 175.100 176.094 -0.043 0.000 1.054 16 V CA -0.257 62.025 62.300 -0.030 0.000 0.882 16 V CB 1.514 33.309 31.823 -0.047 0.000 1.002 16 V HN 0.817 nan 8.190 nan 0.000 0.424 17 L N 5.414 126.617 121.223 -0.033 0.000 2.372 17 L HA 0.695 5.035 4.340 -0.000 0.000 0.274 17 L C -1.112 175.698 176.870 -0.100 0.000 0.988 17 L CA 0.084 54.876 54.840 -0.080 0.000 0.833 17 L CB 1.190 43.252 42.059 0.004 0.000 1.236 17 L HN 0.774 nan 8.230 nan 0.000 0.410 18 c N 3.435 121.901 118.600 -0.224 0.000 2.653 18 c HA 0.483 5.053 4.570 -0.000 0.000 0.291 18 c C -0.370 173.564 174.090 -0.261 0.000 1.064 18 c CA -0.709 55.554 56.329 -0.109 0.000 1.469 18 c CB -0.444 42.154 42.510 0.148 0.000 1.861 18 c HN 0.761 nan 8.230 nan 0.000 0.434 19 H N 0.550 119.613 119.070 -0.011 0.000 2.472 19 H HA 0.532 5.088 4.556 -0.000 0.000 0.338 19 H C 0.429 175.701 175.328 -0.093 0.000 1.133 19 H CA -0.402 55.624 56.048 -0.037 0.000 1.216 19 H CB 0.704 30.453 29.762 -0.021 0.000 1.497 19 H HN 0.499 nan 8.280 nan 0.000 0.500 20 R N 1.171 121.686 120.500 0.025 0.000 3.422 20 R HA -0.175 4.164 4.340 -0.000 0.000 0.267 20 R C 0.039 176.240 176.300 -0.166 0.000 1.074 20 R CA 0.191 56.261 56.100 -0.051 0.000 0.718 20 R CB -0.722 29.569 30.300 -0.016 0.000 1.157 20 R HN 0.557 nan 8.270 nan 0.000 0.440 21 K N 0.541 120.734 120.400 -0.345 0.000 2.358 21 K HA 0.135 4.455 4.320 -0.000 0.000 0.197 21 K C 0.559 176.819 176.600 -0.568 0.000 1.025 21 K CA 0.085 56.001 56.287 -0.618 0.000 1.104 21 K CB 0.347 32.048 32.500 -1.332 0.000 0.855 21 K HN 0.314 nan 8.250 nan 0.000 0.531 22 R N 0.287 120.595 120.500 -0.320 0.000 3.770 22 R HA -0.149 4.191 4.340 -0.000 0.000 0.305 22 R C -0.658 175.625 176.300 -0.028 0.000 1.184 22 R CA 0.252 56.272 56.100 -0.134 0.000 0.823 22 R CB -2.320 27.931 30.300 -0.083 0.000 1.285 22 R HN -0.023 nan 8.270 nan 0.000 0.499 23 F N -0.526 119.431 119.950 0.012 0.000 2.529 23 F HA 0.055 4.581 4.527 -0.001 0.000 0.365 23 F C 1.908 177.714 175.800 0.009 0.000 1.102 23 F CA -0.628 57.377 58.000 0.009 0.000 1.271 23 F CB 0.695 39.700 39.000 0.009 0.000 1.120 23 F HN -0.245 nan 8.300 nan 0.000 0.579 24 V N 1.422 121.462 119.914 0.210 0.000 3.431 24 V HA 0.322 4.442 4.120 -0.000 0.000 0.253 24 V C 0.786 176.922 176.094 0.070 0.000 1.184 24 V CA 0.673 63.038 62.300 0.109 0.000 1.104 24 V CB -0.268 31.596 31.823 0.068 0.000 0.799 24 V HN 0.763 nan 8.190 nan 0.000 0.462 25 A N -0.238 122.611 122.820 0.048 0.000 2.384 25 A HA 0.714 5.034 4.320 -0.000 0.000 0.312 25 A C -0.536 177.002 177.584 -0.077 0.000 1.113 25 A CA -0.470 51.551 52.037 -0.027 0.000 0.779 25 A CB 1.534 20.499 19.000 -0.059 0.000 1.307 25 A HN -0.033 nan 8.150 nan 0.000 0.436 26 V N 3.745 123.601 119.914 -0.097 0.000 2.493 26 V HA 0.144 4.263 4.120 -0.000 0.000 0.292 26 V C -1.459 174.493 176.094 -0.237 0.000 1.016 26 V CA -0.456 61.768 62.300 -0.127 0.000 1.097 26 V CB -0.145 31.619 31.823 -0.098 0.000 0.947 26 V HN 0.846 nan 8.190 nan 0.000 0.479 27 P HA 0.128 nan 4.420 nan 0.000 0.271 27 P C -0.116 177.037 177.300 -0.245 0.000 1.233 27 P CA -0.479 62.284 63.100 -0.561 0.000 0.789 27 P CB 0.618 31.736 31.700 -0.971 0.000 0.951 28 E N -0.567 119.518 120.200 -0.192 0.000 2.410 28 E HA 0.341 4.691 4.350 -0.000 0.000 0.255 28 E C 0.874 177.445 176.600 -0.047 0.000 1.194 28 E CA -0.327 56.024 56.400 -0.083 0.000 0.955 28 E CB -0.509 29.152 29.700 -0.065 0.000 0.988 28 E HN 0.734 nan 8.360 nan 0.000 0.461 29 G N 0.636 109.438 108.800 0.004 0.000 2.179 29 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 29 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 29 G C 0.152 175.084 174.900 0.054 0.000 0.977 29 G CA 0.142 45.257 45.100 0.025 0.000 0.641 29 G HN 0.499 nan 8.290 nan 0.000 0.533 30 I N 2.681 123.305 120.570 0.089 0.000 2.436 30 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 30 I C -1.577 174.681 176.117 0.235 0.000 1.083 30 I CA -1.829 59.543 61.300 0.120 0.000 1.372 30 I CB 0.695 38.742 38.000 0.079 0.000 1.408 30 I HN -0.092 nan 8.210 nan 0.000 0.516 31 P HA -0.003 nan 4.420 nan 0.000 0.269 31 P C 0.785 178.252 177.300 0.280 0.000 1.209 31 P CA -0.088 63.112 63.100 0.167 0.000 0.776 31 P CB 0.677 32.441 31.700 0.107 0.000 0.876 32 T N 0.457 115.138 114.554 0.212 0.000 2.962 32 T HA -0.121 4.229 4.350 -0.000 0.000 0.270 32 T C 1.239 176.108 174.700 0.281 0.000 1.088 32 T CA 1.228 63.455 62.100 0.210 0.000 1.127 32 T CB -0.368 68.536 68.868 0.061 0.000 0.883 32 T HN 0.609 nan 8.240 nan 0.000 0.493 33 E N 0.285 120.625 120.200 0.234 0.000 2.502 33 E HA 0.016 4.365 4.350 -0.000 0.000 0.194 33 E C 0.064 176.787 176.600 0.206 0.000 1.062 33 E CA 0.065 56.605 56.400 0.235 0.000 0.867 33 E CB -0.288 29.485 29.700 0.122 0.000 0.888 33 E HN 0.237 nan 8.360 nan 0.000 0.510 34 T N 1.689 116.365 114.554 0.202 0.000 2.905 34 T HA 0.034 4.384 4.350 -0.000 0.000 0.299 34 T C 0.682 175.436 174.700 0.090 0.000 1.024 34 T CA 0.136 62.293 62.100 0.095 0.000 1.151 34 T CB 1.117 69.979 68.868 -0.011 0.000 0.987 34 T HN 0.251 nan 8.240 nan 0.000 0.535 35 R N 1.441 121.968 120.500 0.045 0.000 2.191 35 R HA 0.345 4.685 4.340 -0.000 0.000 0.196 35 R C 0.421 176.718 176.300 -0.005 0.000 0.991 35 R CA 0.048 56.172 56.100 0.040 0.000 1.075 35 R CB 0.387 30.707 30.300 0.034 0.000 1.040 35 R HN 0.442 nan 8.270 nan 0.000 0.526 36 L N 2.059 123.267 121.223 -0.025 0.000 2.319 36 L HA 0.449 4.788 4.340 -0.000 0.000 0.281 36 L C -1.724 175.101 176.870 -0.076 0.000 1.005 36 L CA -0.975 53.839 54.840 -0.044 0.000 0.828 36 L CB 1.644 43.689 42.059 -0.024 0.000 1.227 36 L HN -0.020 nan 8.230 nan 0.000 0.415 37 L N 5.191 126.349 121.223 -0.109 0.000 2.372 37 L HA 0.531 4.871 4.340 -0.000 0.000 0.273 37 L C -1.196 175.613 176.870 -0.102 0.000 0.989 37 L CA -0.025 54.732 54.840 -0.137 0.000 0.841 37 L CB 1.477 43.394 42.059 -0.236 0.000 1.225 37 L HN 0.451 nan 8.230 nan 0.000 0.414 38 D N 5.281 125.628 120.400 -0.089 0.000 2.440 38 D HA 0.361 5.000 4.640 -0.000 0.000 0.239 38 D C -0.362 175.851 176.300 -0.144 0.000 1.084 38 D CA -0.134 53.811 54.000 -0.091 0.000 0.843 38 D CB 1.245 42.001 40.800 -0.075 0.000 1.097 38 D HN 0.645 nan 8.370 nan 0.000 0.531 39 L N 3.099 124.282 121.223 -0.067 0.000 3.218 39 L HA 0.390 4.730 4.340 -0.000 0.000 0.279 39 L C 1.281 178.161 176.870 0.016 0.000 1.287 39 L CA -0.768 54.061 54.840 -0.019 0.000 1.024 39 L CB 1.028 43.144 42.059 0.094 0.000 1.409 39 L HN 0.297 nan 8.230 nan 0.000 0.580 40 G N 0.243 109.048 108.800 0.010 0.000 2.554 40 G HA2 0.179 4.139 3.960 -0.000 0.000 0.238 40 G HA3 0.179 4.139 3.960 -0.000 0.000 0.238 40 G C 0.362 175.372 174.900 0.183 0.000 1.259 40 G CA -0.145 45.042 45.100 0.146 0.000 0.843 40 G HN 0.522 nan 8.290 nan 0.000 0.582 41 K N 0.599 121.079 120.400 0.133 0.000 3.150 41 K HA -0.160 4.160 4.320 -0.000 0.000 0.267 41 K C 0.202 176.832 176.600 0.050 0.000 1.028 41 K CA 0.780 57.122 56.287 0.091 0.000 0.753 41 K CB -1.356 31.206 32.500 0.103 0.000 1.288 41 K HN 0.601 nan 8.250 nan 0.000 0.473 42 N N 0.215 118.946 118.700 0.052 0.000 3.255 42 N HA 0.389 5.129 4.740 -0.000 0.000 0.359 42 N C -0.065 175.475 175.510 0.050 0.000 1.463 42 N CA -0.774 52.296 53.050 0.034 0.000 0.695 42 N CB 0.792 39.333 38.487 0.090 0.000 1.581 42 N HN 0.085 nan 8.380 nan 0.000 0.622 43 R N 0.406 120.949 120.500 0.071 0.000 2.776 43 R HA 0.452 4.792 4.340 -0.000 0.000 0.391 43 R C -0.520 175.825 176.300 0.075 0.000 1.116 43 R CA -0.208 55.928 56.100 0.061 0.000 1.056 43 R CB 0.025 30.352 30.300 0.045 0.000 1.369 43 R HN 0.428 nan 8.270 nan 0.000 0.590 44 I N 1.080 121.704 120.570 0.090 0.000 2.471 44 I HA 0.013 4.183 4.170 -0.000 0.000 0.286 44 I C 1.205 177.357 176.117 0.058 0.000 1.079 44 I CA 0.367 61.716 61.300 0.081 0.000 1.398 44 I CB 1.129 39.191 38.000 0.102 0.000 1.403 44 I HN 0.099 nan 8.210 nan 0.000 0.530 45 K N 2.853 123.276 120.400 0.038 0.000 2.308 45 K HA 0.169 4.489 4.320 -0.000 0.000 0.197 45 K C -0.116 176.493 176.600 0.015 0.000 1.049 45 K CA 0.674 56.976 56.287 0.026 0.000 0.991 45 K CB 0.541 33.050 32.500 0.015 0.000 0.836 45 K HN 0.621 nan 8.250 nan 0.000 0.500 46 T N 0.755 115.311 114.554 0.004 0.000 2.993 46 T HA 0.424 4.774 4.350 -0.000 0.000 0.312 46 T C -1.172 173.505 174.700 -0.039 0.000 1.115 46 T CA -0.702 61.386 62.100 -0.020 0.000 1.027 46 T CB 1.838 70.685 68.868 -0.035 0.000 1.116 46 T HN -0.080 nan 8.240 nan 0.000 0.464 47 L N 3.465 124.653 121.223 -0.059 0.000 2.294 47 L HA 0.500 4.839 4.340 -0.000 0.000 0.283 47 L C 0.077 176.848 176.870 -0.165 0.000 1.015 47 L CA -0.894 53.878 54.840 -0.113 0.000 0.831 47 L CB 0.869 42.878 42.059 -0.083 0.000 1.217 47 L HN 0.541 nan 8.230 nan 0.000 0.420 48 N N 1.450 120.040 118.700 -0.183 0.000 2.445 48 N HA 0.166 4.906 4.740 -0.000 0.000 0.264 48 N C -0.327 175.075 175.510 -0.180 0.000 1.227 48 N CA -0.641 52.313 53.050 -0.161 0.000 0.963 48 N CB 0.478 38.880 38.487 -0.141 0.000 1.188 48 N HN 0.523 nan 8.380 nan 0.000 0.491 49 Q N 0.668 120.385 119.800 -0.139 0.000 2.304 49 Q HA -0.115 4.225 4.340 -0.000 0.000 0.301 49 Q C -0.685 175.242 176.000 -0.122 0.000 1.063 49 Q CA 0.498 56.229 55.803 -0.120 0.000 0.947 49 Q CB 0.194 28.882 28.738 -0.084 0.000 1.201 49 Q HN 0.528 nan 8.270 nan 0.000 0.389 50 D N 2.316 122.654 120.400 -0.103 0.000 2.811 50 D HA -0.230 4.410 4.640 -0.000 0.000 0.231 50 D C 0.582 176.795 176.300 -0.145 0.000 1.157 50 D CA 1.360 55.304 54.000 -0.093 0.000 0.716 50 D CB -0.738 40.013 40.800 -0.082 0.000 1.077 50 D HN 0.767 nan 8.370 nan 0.000 0.428 51 E N -0.821 119.244 120.200 -0.224 0.000 2.085 51 E HA -0.140 4.209 4.350 -0.000 0.000 0.194 51 E C 1.333 177.623 176.600 -0.517 0.000 0.994 51 E CA 1.275 57.403 56.400 -0.453 0.000 0.801 51 E CB -0.104 29.171 29.700 -0.708 0.000 0.743 51 E HN 0.468 nan 8.360 nan 0.000 0.453 52 F N -0.782 119.203 119.950 0.058 0.000 2.639 52 F HA 0.458 4.985 4.527 -0.000 0.000 0.302 52 F C 1.646 177.492 175.800 0.077 0.000 1.097 52 F CA 0.200 58.347 58.000 0.245 0.000 1.294 52 F CB 0.142 39.321 39.000 0.297 0.000 1.027 52 F HN 0.071 nan 8.300 nan 0.000 0.550 53 A N 0.119 122.949 122.820 0.015 0.000 2.076 53 A HA -0.189 4.130 4.320 -0.000 0.000 0.220 53 A C 2.244 179.713 177.584 -0.192 0.000 1.160 53 A CA 1.967 53.956 52.037 -0.080 0.000 0.653 53 A CB -0.880 18.059 19.000 -0.101 0.000 0.801 53 A HN 0.359 nan 8.150 nan 0.000 0.455 54 S N -1.353 114.101 115.700 -0.409 0.000 2.561 54 S HA 0.128 4.598 4.470 -0.000 0.000 0.225 54 S C 0.078 174.281 174.600 -0.661 0.000 0.977 54 S CA 0.064 57.894 58.200 -0.617 0.000 0.926 54 S CB -0.437 62.235 63.200 -0.880 0.000 0.769 54 S HN 0.351 nan 8.310 nan 0.000 0.533 55 F N 2.214 122.172 119.950 0.014 0.000 2.438 55 F HA 0.420 4.947 4.527 -0.001 0.000 0.315 55 F C -2.002 173.769 175.800 -0.048 0.000 1.258 55 F CA -2.727 55.285 58.000 0.021 0.000 1.180 55 F CB 0.955 40.010 39.000 0.092 0.000 1.412 55 F HN 0.023 nan 8.300 nan 0.000 0.544 56 P HA -0.078 nan 4.420 nan 0.000 0.242 56 P C 0.473 177.651 177.300 -0.204 0.000 1.197 56 P CA 1.334 64.320 63.100 -0.190 0.000 0.765 56 P CB -0.038 31.479 31.700 -0.305 0.000 0.936 57 H N -1.672 117.468 119.070 0.116 0.000 2.652 57 H HA 0.216 4.772 4.556 -0.000 0.000 0.274 57 H C 0.543 175.917 175.328 0.076 0.000 1.021 57 H CA -0.803 55.301 56.048 0.093 0.000 1.187 57 H CB 0.064 29.877 29.762 0.085 0.000 1.505 57 H HN -0.009 nan 8.280 nan 0.000 0.530 58 L N 2.022 123.343 121.223 0.163 0.000 2.584 58 L HA -0.072 4.268 4.340 -0.000 0.000 0.272 58 L C 0.840 177.740 176.870 0.050 0.000 1.195 58 L CA 0.840 55.729 54.840 0.082 0.000 0.920 58 L CB 0.566 42.656 42.059 0.051 0.000 1.173 58 L HN 0.278 nan 8.230 nan 0.000 0.489 59 E N 2.121 122.338 120.200 0.028 0.000 2.290 59 E HA 0.098 4.448 4.350 -0.000 0.000 0.197 59 E C -0.094 176.493 176.600 -0.021 0.000 0.948 59 E CA 0.249 56.658 56.400 0.014 0.000 0.895 59 E CB 0.469 30.181 29.700 0.020 0.000 0.865 59 E HN 0.641 nan 8.360 nan 0.000 0.486 60 E N 0.767 120.943 120.200 -0.041 0.000 2.292 60 E HA 0.398 4.747 4.350 -0.000 0.000 0.272 60 E C -1.930 174.611 176.600 -0.097 0.000 0.881 60 E CA -0.754 55.608 56.400 -0.062 0.000 0.754 60 E CB 1.632 31.307 29.700 -0.042 0.000 1.201 60 E HN -0.081 nan 8.360 nan 0.000 0.425 61 L N 3.894 125.043 121.223 -0.123 0.000 2.446 61 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 61 L C -1.658 175.144 176.870 -0.112 0.000 0.975 61 L CA -0.329 54.411 54.840 -0.168 0.000 0.848 61 L CB 1.585 43.468 42.059 -0.294 0.000 1.225 61 L HN 0.422 nan 8.230 nan 0.000 0.410 62 E N 6.346 126.505 120.200 -0.067 0.000 2.133 62 E HA 0.416 4.766 4.350 -0.000 0.000 0.274 62 E C -0.329 176.281 176.600 0.016 0.000 0.930 62 E CA -0.118 56.273 56.400 -0.015 0.000 0.770 62 E CB 2.078 31.785 29.700 0.011 0.000 1.104 62 E HN 0.692 nan 8.360 nan 0.000 0.403 63 L N 2.321 123.573 121.223 0.048 0.000 3.289 63 L HA 0.195 4.535 4.340 -0.000 0.000 0.291 63 L C 0.243 177.169 176.870 0.093 0.000 1.279 63 L CA -0.348 54.547 54.840 0.091 0.000 1.025 63 L CB 0.188 42.333 42.059 0.142 0.000 1.413 63 L HN 0.184 nan 8.230 nan 0.000 0.593 64 N N 1.518 120.265 118.700 0.077 0.000 2.453 64 N HA 0.014 4.754 4.740 -0.000 0.000 0.253 64 N C 0.219 175.774 175.510 0.074 0.000 1.252 64 N CA 0.184 53.277 53.050 0.071 0.000 0.917 64 N CB 0.484 39.007 38.487 0.059 0.000 1.117 64 N HN 0.217 nan 8.380 nan 0.000 0.442 65 E N -1.033 119.202 120.200 0.059 0.000 2.440 65 E HA -0.260 4.089 4.350 -0.000 0.000 0.246 65 E C -0.132 176.503 176.600 0.059 0.000 1.165 65 E CA 0.437 56.867 56.400 0.051 0.000 0.726 65 E CB -1.056 28.669 29.700 0.042 0.000 1.271 65 E HN 0.544 nan 8.360 nan 0.000 0.397 66 N N -0.158 118.583 118.700 0.068 0.000 2.592 66 N HA 0.485 5.224 4.740 -0.000 0.000 0.290 66 N C 0.782 176.326 175.510 0.057 0.000 1.364 66 N CA -0.229 52.863 53.050 0.070 0.000 0.878 66 N CB 0.398 38.939 38.487 0.090 0.000 1.104 66 N HN 0.026 nan 8.380 nan 0.000 0.485 67 I N 0.826 121.432 120.570 0.059 0.000 3.554 67 I HA 0.101 4.271 4.170 -0.000 0.000 0.321 67 I C -0.984 175.160 176.117 0.046 0.000 1.484 67 I CA 0.085 61.413 61.300 0.046 0.000 0.975 67 I CB 0.827 38.849 38.000 0.037 0.000 1.528 67 I HN 0.016 nan 8.210 nan 0.000 0.609 68 V N 2.089 122.038 119.914 0.058 0.000 2.458 68 V HA 0.024 4.144 4.120 -0.000 0.000 0.287 68 V C 1.339 177.460 176.094 0.045 0.000 1.009 68 V CA 1.170 63.504 62.300 0.057 0.000 1.091 68 V CB 0.715 32.587 31.823 0.083 0.000 0.960 68 V HN 0.627 nan 8.190 nan 0.000 0.476 69 S N 2.785 118.502 115.700 0.028 0.000 2.632 69 S HA 0.557 5.027 4.470 -0.000 0.000 0.237 69 S C 0.414 175.019 174.600 0.008 0.000 1.037 69 S CA 0.282 58.494 58.200 0.020 0.000 1.009 69 S CB 0.745 63.954 63.200 0.015 0.000 0.974 69 S HN 1.045 nan 8.310 nan 0.000 0.544 70 A N 1.069 123.890 122.820 0.002 0.000 2.375 70 A HA 0.747 5.067 4.320 -0.000 0.000 0.295 70 A C -1.137 176.429 177.584 -0.029 0.000 1.066 70 A CA -0.637 51.390 52.037 -0.016 0.000 0.722 70 A CB 1.881 20.867 19.000 -0.022 0.000 1.206 70 A HN 0.779 nan 8.150 nan 0.000 0.435 71 V N 3.182 123.070 119.914 -0.044 0.000 2.407 71 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 71 V C -0.315 175.713 176.094 -0.109 0.000 1.018 71 V CA -0.387 61.862 62.300 -0.085 0.000 0.842 71 V CB 1.279 33.062 31.823 -0.066 0.000 0.996 71 V HN 0.952 nan 8.190 nan 0.000 0.426 72 E N 8.632 128.756 120.200 -0.128 0.000 2.338 72 E HA 0.311 4.661 4.350 -0.000 0.000 0.272 72 E C -2.383 174.141 176.600 -0.127 0.000 1.029 72 E CA -1.703 54.630 56.400 -0.111 0.000 0.872 72 E CB 0.933 30.572 29.700 -0.102 0.000 1.015 72 E HN 0.582 nan 8.360 nan 0.000 0.417 73 P HA -0.041 nan 4.420 nan 0.000 0.264 73 P C 0.523 177.786 177.300 -0.062 0.000 1.193 73 P CA 0.611 63.669 63.100 -0.071 0.000 0.763 73 P CB 0.730 32.404 31.700 -0.042 0.000 0.810 74 G N 2.733 111.505 108.800 -0.048 0.000 2.184 74 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.206 74 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.206 74 G C 1.075 175.924 174.900 -0.086 0.000 0.995 74 G CA 0.328 45.408 45.100 -0.034 0.000 0.651 74 G HN 0.657 nan 8.290 nan 0.000 0.511 75 A N -0.253 122.439 122.820 -0.212 0.000 2.024 75 A HA 0.369 4.689 4.320 -0.000 0.000 0.220 75 A C 1.509 178.878 177.584 -0.358 0.000 1.164 75 A CA 1.940 53.744 52.037 -0.388 0.000 0.643 75 A CB -0.401 18.203 19.000 -0.660 0.000 0.806 75 A HN 0.785 nan 8.150 nan 0.000 0.451 76 F N 0.350 120.368 119.950 0.114 0.000 2.684 76 F HA 0.260 4.787 4.527 -0.000 0.000 0.298 76 F C 0.285 176.110 175.800 0.042 0.000 1.120 76 F CA -1.427 56.644 58.000 0.119 0.000 1.332 76 F CB -0.490 38.565 39.000 0.091 0.000 0.986 76 F HN -0.009 nan 8.300 nan 0.000 0.524 77 N N 1.238 120.007 118.700 0.116 0.000 2.441 77 N HA -0.062 4.678 4.740 -0.000 0.000 0.251 77 N C 1.012 176.443 175.510 -0.133 0.000 1.242 77 N CA 0.628 53.683 53.050 0.008 0.000 0.898 77 N CB 0.108 38.596 38.487 0.000 0.000 1.100 77 N HN 0.189 nan 8.380 nan 0.000 0.443 78 N N -0.119 118.314 118.700 -0.445 0.000 2.909 78 N HA -0.200 4.540 4.740 -0.000 0.000 0.242 78 N C -1.014 174.027 175.510 -0.781 0.000 0.975 78 N CA 0.589 53.152 53.050 -0.811 0.000 0.921 78 N CB -1.385 36.906 38.487 -0.328 0.000 1.112 78 N HN 0.560 nan 8.380 nan 0.000 0.581 79 L N 0.654 121.567 121.223 -0.518 0.000 2.865 79 L HA 0.281 4.621 4.340 -0.000 0.000 0.233 79 L C 0.519 177.310 176.870 -0.133 0.000 1.320 79 L CA -0.469 54.244 54.840 -0.213 0.000 1.225 79 L CB -0.545 41.508 42.059 -0.010 0.000 1.542 79 L HN 0.001 nan 8.230 nan 0.000 0.432 80 F N -0.316 119.676 119.950 0.071 0.000 2.604 80 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 80 F C 1.768 177.602 175.800 0.057 0.000 1.131 80 F CA 0.465 58.502 58.000 0.061 0.000 1.457 80 F CB -0.471 38.559 39.000 0.050 0.000 1.095 80 F HN 0.357 nan 8.300 nan 0.000 0.574 81 N N 0.055 118.865 118.700 0.183 0.000 2.205 81 N HA 0.067 4.807 4.740 -0.000 0.000 0.201 81 N C 0.268 175.829 175.510 0.085 0.000 1.128 81 N CA -0.053 53.081 53.050 0.139 0.000 0.867 81 N CB 0.288 38.864 38.487 0.148 0.000 0.996 81 N HN 0.153 nan 8.380 nan 0.000 0.503 82 L N 1.847 123.106 121.223 0.060 0.000 2.499 82 L HA 0.042 4.381 4.340 -0.000 0.000 0.273 82 L C 1.314 178.189 176.870 0.008 0.000 1.195 82 L CA 0.476 55.322 54.840 0.011 0.000 0.882 82 L CB 0.633 42.676 42.059 -0.027 0.000 1.133 82 L HN -0.089 nan 8.230 nan 0.000 0.483 83 R N 1.936 122.429 120.500 -0.011 0.000 2.257 83 R HA 0.295 4.635 4.340 -0.000 0.000 0.195 83 R C -0.170 176.103 176.300 -0.045 0.000 0.921 83 R CA 0.311 56.401 56.100 -0.017 0.000 1.069 83 R CB 0.339 30.635 30.300 -0.008 0.000 1.115 83 R HN 0.625 nan 8.270 nan 0.000 0.571 84 T N 1.313 115.831 114.554 -0.060 0.000 2.916 84 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 84 T C -1.559 173.079 174.700 -0.103 0.000 1.031 84 T CA -0.438 61.617 62.100 -0.075 0.000 0.993 84 T CB 2.129 70.963 68.868 -0.057 0.000 1.045 84 T HN -0.123 nan 8.240 nan 0.000 0.454 85 L N 3.095 124.248 121.223 -0.117 0.000 2.446 85 L HA 0.752 5.091 4.340 -0.000 0.000 0.268 85 L C -0.105 176.716 176.870 -0.083 0.000 0.975 85 L CA -0.104 54.650 54.840 -0.144 0.000 0.848 85 L CB 1.173 43.091 42.059 -0.235 0.000 1.225 85 L HN 0.779 nan 8.230 nan 0.000 0.410 86 G N 4.949 113.719 108.800 -0.049 0.000 2.335 86 G HA2 0.575 4.534 3.960 -0.000 0.000 0.314 86 G HA3 0.575 4.534 3.960 -0.000 0.000 0.314 86 G C -0.333 174.589 174.900 0.036 0.000 1.129 86 G CA -0.291 44.806 45.100 -0.005 0.000 0.912 86 G HN 0.617 nan 8.290 nan 0.000 0.443 87 L N 2.291 123.553 121.223 0.065 0.000 3.431 87 L HA 0.261 4.601 4.340 -0.000 0.000 0.316 87 L C 1.175 178.101 176.870 0.093 0.000 1.305 87 L CA -0.573 54.331 54.840 0.107 0.000 0.995 87 L CB 0.183 42.343 42.059 0.168 0.000 1.411 87 L HN 0.666 nan 8.230 nan 0.000 0.610 88 R N 0.175 120.713 120.500 0.064 0.000 2.539 88 R HA 0.351 4.690 4.340 -0.000 0.000 0.275 88 R C 0.615 176.944 176.300 0.048 0.000 1.077 88 R CA 0.420 56.551 56.100 0.052 0.000 1.097 88 R CB 0.727 31.046 30.300 0.031 0.000 1.018 88 R HN 0.229 nan 8.270 nan 0.000 0.483 89 S N 0.842 116.566 115.700 0.040 0.000 3.356 89 S HA -0.201 4.269 4.470 -0.000 0.000 0.376 89 S C -0.541 174.085 174.600 0.044 0.000 0.924 89 S CA 0.827 59.047 58.200 0.033 0.000 1.316 89 S CB -1.780 61.430 63.200 0.016 0.000 0.922 89 S HN 0.897 nan 8.310 nan 0.000 0.553 90 N N 1.543 120.276 118.700 0.055 0.000 3.084 90 N HA 0.466 5.205 4.740 -0.000 0.000 0.336 90 N C 0.634 176.173 175.510 0.048 0.000 1.391 90 N CA -0.880 52.205 53.050 0.058 0.000 0.712 90 N CB 0.565 39.099 38.487 0.078 0.000 1.248 90 N HN 0.473 nan 8.380 nan 0.000 0.545 91 R N 0.404 120.933 120.500 0.048 0.000 2.668 91 R HA 0.397 4.737 4.340 -0.000 0.000 0.435 91 R C -0.582 175.740 176.300 0.036 0.000 1.059 91 R CA -0.178 55.944 56.100 0.036 0.000 1.073 91 R CB 0.139 30.456 30.300 0.028 0.000 1.401 91 R HN 0.330 nan 8.270 nan 0.000 0.590 92 L N 1.281 122.534 121.223 0.049 0.000 2.410 92 L HA 0.128 4.467 4.340 -0.000 0.000 0.273 92 L C 1.349 178.243 176.870 0.040 0.000 1.152 92 L CA 0.440 55.309 54.840 0.048 0.000 0.855 92 L CB 0.838 42.941 42.059 0.073 0.000 1.129 92 L HN 0.143 nan 8.230 nan 0.000 0.463 93 K N 2.983 123.399 120.400 0.027 0.000 2.362 93 K HA 0.239 4.558 4.320 -0.000 0.000 0.203 93 K C -0.349 176.260 176.600 0.016 0.000 1.198 93 K CA -0.092 56.207 56.287 0.021 0.000 0.908 93 K CB 0.581 33.089 32.500 0.012 0.000 1.236 93 K HN 0.368 nan 8.250 nan 0.000 0.487 94 L N 2.359 123.587 121.223 0.008 0.000 2.415 94 L HA 0.455 4.795 4.340 -0.000 0.000 0.268 94 L C -1.301 175.563 176.870 -0.009 0.000 0.984 94 L CA -0.418 54.421 54.840 -0.001 0.000 0.853 94 L CB 1.596 43.650 42.059 -0.007 0.000 1.215 94 L HN 0.083 nan 8.230 nan 0.000 0.419 95 I N 7.146 127.709 120.570 -0.011 0.000 2.396 95 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 95 I C -1.558 174.529 176.117 -0.050 0.000 1.056 95 I CA -1.508 59.775 61.300 -0.030 0.000 1.365 95 I CB 0.864 38.859 38.000 -0.009 0.000 1.407 95 I HN 0.489 nan 8.210 nan 0.000 0.509 96 P HA 0.203 nan 4.420 nan 0.000 0.275 96 P C -0.497 176.767 177.300 -0.060 0.000 1.228 96 P CA -0.413 62.656 63.100 -0.051 0.000 0.786 96 P CB 0.830 32.499 31.700 -0.050 0.000 0.927 97 L N 1.171 122.377 121.223 -0.029 0.000 2.461 97 L HA 0.278 4.617 4.340 -0.000 0.000 0.272 97 L C 1.713 178.580 176.870 -0.004 0.000 1.197 97 L CA 1.075 55.912 54.840 -0.004 0.000 0.836 97 L CB -0.437 41.638 42.059 0.025 0.000 1.105 97 L HN 0.867 nan 8.230 nan 0.000 0.477 98 G N 1.733 110.547 108.800 0.023 0.000 2.143 98 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.249 98 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.249 98 G C 0.585 175.487 174.900 0.003 0.000 0.981 98 G CA 0.202 45.323 45.100 0.035 0.000 0.665 98 G HN 0.442 nan 8.290 nan 0.000 0.528 99 V N -0.529 119.330 119.914 -0.092 0.000 2.379 99 V HA 0.079 4.198 4.120 -0.000 0.000 0.245 99 V C 2.066 178.112 176.094 -0.079 0.000 1.044 99 V CA 2.177 64.357 62.300 -0.200 0.000 1.036 99 V CB -0.452 31.063 31.823 -0.513 0.000 0.664 99 V HN 0.345 nan 8.190 nan 0.000 0.453 100 F N 0.473 120.542 119.950 0.198 0.000 2.693 100 F HA 0.170 4.697 4.527 -0.000 0.000 0.303 100 F C 1.414 177.314 175.800 0.166 0.000 1.097 100 F CA -0.592 57.519 58.000 0.184 0.000 1.330 100 F CB -1.191 37.908 39.000 0.166 0.000 1.067 100 F HN 0.113 nan 8.300 nan 0.000 0.565 101 T N -1.993 112.729 114.554 0.280 0.000 2.926 101 T HA 0.410 4.760 4.350 -0.000 0.000 0.307 101 T C 1.489 176.333 174.700 0.241 0.000 1.059 101 T CA 0.169 62.405 62.100 0.227 0.000 1.122 101 T CB 1.209 70.174 68.868 0.162 0.000 0.972 101 T HN 0.523 nan 8.240 nan 0.000 0.545 102 G N 1.649 110.587 108.800 0.231 0.000 2.189 102 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.267 102 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.267 102 G C 0.290 175.376 174.900 0.310 0.000 0.975 102 G CA 0.174 45.444 45.100 0.283 0.000 0.644 102 G HN 0.804 nan 8.290 nan 0.000 0.537 103 L N 2.406 123.778 121.223 0.248 0.000 2.873 103 L HA 0.260 4.599 4.340 -0.000 0.000 0.236 103 L C 2.117 179.088 176.870 0.168 0.000 1.375 103 L CA 0.407 55.364 54.840 0.196 0.000 1.239 103 L CB 0.180 42.331 42.059 0.154 0.000 1.603 103 L HN 0.386 nan 8.230 nan 0.000 0.430 104 S N -2.084 113.731 115.700 0.191 0.000 2.515 104 S HA -0.070 4.399 4.470 -0.000 0.000 0.231 104 S C 1.474 176.154 174.600 0.134 0.000 0.987 104 S CA 0.462 58.757 58.200 0.158 0.000 0.936 104 S CB -0.057 63.224 63.200 0.134 0.000 0.766 104 S HN 0.493 nan 8.310 nan 0.000 0.528 105 N N 0.680 119.457 118.700 0.128 0.000 2.353 105 N HA 0.285 5.025 4.740 -0.000 0.000 0.185 105 N C -0.103 175.440 175.510 0.055 0.000 1.098 105 N CA -0.132 52.974 53.050 0.094 0.000 0.872 105 N CB -0.363 38.186 38.487 0.105 0.000 0.970 105 N HN 0.371 nan 8.380 nan 0.000 0.467 106 L N 0.972 122.222 121.223 0.045 0.000 2.490 106 L HA 0.064 4.404 4.340 -0.000 0.000 0.274 106 L C 1.364 178.218 176.870 -0.027 0.000 1.201 106 L CA 0.889 55.726 54.840 -0.005 0.000 0.869 106 L CB 0.773 42.817 42.059 -0.026 0.000 1.123 106 L HN 0.191 nan 8.230 nan 0.000 0.484 107 T N 0.152 114.677 114.554 -0.049 0.000 3.009 107 T HA 0.249 4.598 4.350 -0.000 0.000 0.267 107 T C 0.365 175.011 174.700 -0.089 0.000 0.942 107 T CA -0.352 61.710 62.100 -0.064 0.000 0.883 107 T CB 0.010 68.851 68.868 -0.046 0.000 1.192 107 T HN 0.446 nan 8.240 nan 0.000 0.524 108 K N 0.727 121.071 120.400 -0.094 0.000 2.535 108 K HA 0.633 4.952 4.320 -0.000 0.000 0.250 108 K C -2.333 174.195 176.600 -0.120 0.000 0.948 108 K CA -0.965 55.258 56.287 -0.106 0.000 0.796 108 K CB 2.191 34.642 32.500 -0.081 0.000 1.216 108 K HN 0.174 nan 8.250 nan 0.000 0.432 109 L N 3.058 124.194 121.223 -0.145 0.000 2.436 109 L HA 0.583 4.922 4.340 -0.000 0.000 0.268 109 L C -1.884 174.919 176.870 -0.112 0.000 0.974 109 L CA -0.204 54.547 54.840 -0.148 0.000 0.826 109 L CB 2.016 43.932 42.059 -0.238 0.000 1.291 109 L HN 0.656 nan 8.230 nan 0.000 0.406 110 D N 4.626 124.993 120.400 -0.055 0.000 2.629 110 D HA 0.432 5.071 4.640 -0.000 0.000 0.250 110 D C -0.314 176.008 176.300 0.038 0.000 1.126 110 D CA -0.258 53.731 54.000 -0.018 0.000 0.852 110 D CB 1.662 42.454 40.800 -0.014 0.000 1.335 110 D HN 0.525 nan 8.370 nan 0.000 0.518 111 I N 1.959 122.567 120.570 0.063 0.000 4.390 111 I HA 0.006 4.175 4.170 -0.000 0.000 0.334 111 I C 0.542 176.721 176.117 0.103 0.000 1.379 111 I CA -0.004 61.372 61.300 0.126 0.000 1.197 111 I CB -0.216 37.906 38.000 0.204 0.000 1.396 111 I HN 0.252 nan 8.210 nan 0.000 0.511 112 S N 0.614 116.353 115.700 0.065 0.000 2.614 112 S HA 0.284 4.754 4.470 -0.000 0.000 0.265 112 S C 0.731 175.355 174.600 0.040 0.000 1.303 112 S CA -0.244 57.986 58.200 0.050 0.000 1.000 112 S CB 1.042 64.259 63.200 0.029 0.000 0.935 112 S HN 0.332 nan 8.310 nan 0.000 0.551 113 E N -0.477 119.739 120.200 0.026 0.000 2.722 113 E HA -0.239 4.111 4.350 -0.000 0.000 0.265 113 E C 0.178 176.793 176.600 0.026 0.000 1.081 113 E CA 0.552 56.960 56.400 0.013 0.000 0.781 113 E CB -1.598 28.100 29.700 -0.004 0.000 1.372 113 E HN 0.600 nan 8.360 nan 0.000 0.423 114 N N 0.186 118.912 118.700 0.043 0.000 2.465 114 N HA 0.182 4.922 4.740 -0.000 0.000 0.294 114 N C 0.618 176.150 175.510 0.036 0.000 1.333 114 N CA -0.079 53.000 53.050 0.048 0.000 0.932 114 N CB 0.300 38.829 38.487 0.069 0.000 1.092 114 N HN 0.012 nan 8.380 nan 0.000 0.519 115 K N 0.547 120.969 120.400 0.037 0.000 2.564 115 K HA 0.393 4.713 4.320 -0.000 0.000 0.205 115 K C -0.457 176.160 176.600 0.028 0.000 1.053 115 K CA -0.169 56.134 56.287 0.027 0.000 1.072 115 K CB 0.296 32.808 32.500 0.021 0.000 0.822 115 K HN 0.376 nan 8.250 nan 0.000 0.497 116 I N 1.765 122.358 120.570 0.038 0.000 2.662 116 I HA -0.130 4.040 4.170 -0.000 0.000 0.285 116 I C 1.506 177.640 176.117 0.028 0.000 1.161 116 I CA 0.014 61.336 61.300 0.037 0.000 1.415 116 I CB 0.897 38.930 38.000 0.055 0.000 1.385 116 I HN -0.054 nan 8.210 nan 0.000 0.552 117 V N 7.559 127.486 119.914 0.022 0.000 2.788 117 V HA 0.095 4.215 4.120 -0.000 0.000 0.251 117 V C 0.631 176.744 176.094 0.031 0.000 1.068 117 V CA 1.022 63.335 62.300 0.022 0.000 1.090 117 V CB -0.021 31.811 31.823 0.014 0.000 0.710 117 V HN 0.650 nan 8.190 nan 0.000 0.467 118 I N -0.076 120.509 120.570 0.025 0.000 2.710 118 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 118 I C -1.732 174.374 176.117 -0.018 0.000 1.318 118 I CA -0.679 60.639 61.300 0.031 0.000 1.045 118 I CB 2.090 40.131 38.000 0.069 0.000 1.307 118 I HN -0.048 nan 8.210 nan 0.000 0.424 119 L N 7.767 128.943 121.223 -0.079 0.000 2.255 119 L HA 0.454 4.794 4.340 -0.000 0.000 0.289 119 L C -0.433 176.320 176.870 -0.195 0.000 1.046 119 L CA -0.522 54.231 54.840 -0.145 0.000 0.816 119 L CB 0.997 42.936 42.059 -0.200 0.000 1.197 119 L HN 0.459 nan 8.230 nan 0.000 0.427 120 L N 2.125 123.251 121.223 -0.162 0.000 2.421 120 L HA 0.276 4.616 4.340 -0.000 0.000 0.263 120 L C 0.230 176.959 176.870 -0.235 0.000 1.122 120 L CA -0.872 53.875 54.840 -0.156 0.000 0.804 120 L CB 0.655 42.659 42.059 -0.091 0.000 1.150 120 L HN 0.473 nan 8.230 nan 0.000 0.457 121 D N 1.060 121.291 120.400 -0.280 0.000 2.571 121 D HA -0.050 4.590 4.640 -0.000 0.000 0.231 121 D C -0.124 175.952 176.300 -0.374 0.000 1.133 121 D CA 0.761 54.450 54.000 -0.517 0.000 0.862 121 D CB 0.070 40.424 40.800 -0.742 0.000 1.179 121 D HN 0.413 nan 8.370 nan 0.000 0.474 122 Y N -1.648 118.627 120.300 -0.043 0.000 4.490 122 Y HA -0.344 4.206 4.550 -0.000 0.000 0.233 122 Y C 1.740 177.616 175.900 -0.041 0.000 1.101 122 Y CA 0.770 58.871 58.100 0.001 0.000 2.010 122 Y CB -2.790 35.685 38.460 0.026 0.000 1.622 122 Y HN 0.579 nan 8.280 nan 0.000 0.675 123 M N -3.567 115.972 119.600 -0.102 0.000 2.476 123 M HA 0.156 4.636 4.480 -0.000 0.000 0.262 123 M C 0.665 176.782 176.300 -0.305 0.000 1.079 123 M CA 1.650 56.786 55.300 -0.273 0.000 1.104 123 M CB -0.295 31.989 32.600 -0.526 0.000 1.409 123 M HN 0.091 nan 8.290 nan 0.000 0.467 124 F N -0.251 119.806 119.950 0.178 0.000 2.735 124 F HA 0.337 4.864 4.527 -0.000 0.000 0.308 124 F C 1.856 177.748 175.800 0.154 0.000 1.112 124 F CA -0.595 57.482 58.000 0.128 0.000 1.235 124 F CB -0.275 38.757 39.000 0.053 0.000 1.027 124 F HN 0.089 nan 8.300 nan 0.000 0.528 125 Q N 1.192 121.175 119.800 0.305 0.000 2.308 125 Q HA -0.233 4.107 4.340 -0.000 0.000 0.209 125 Q C 1.367 177.510 176.000 0.238 0.000 0.985 125 Q CA 1.880 57.848 55.803 0.276 0.000 0.881 125 Q CB -0.315 28.571 28.738 0.247 0.000 0.917 125 Q HN 0.339 nan 8.270 nan 0.000 0.443 126 D N -1.693 118.849 120.400 0.237 0.000 2.360 126 D HA 0.072 4.712 4.640 -0.000 0.000 0.210 126 D C -0.234 176.199 176.300 0.222 0.000 1.047 126 D CA 0.045 54.172 54.000 0.213 0.000 0.854 126 D CB 0.310 41.230 40.800 0.201 0.000 0.936 126 D HN 0.246 nan 8.370 nan 0.000 0.514 127 L N 1.682 123.035 121.223 0.217 0.000 2.583 127 L HA 0.135 4.475 4.340 -0.000 0.000 0.239 127 L C 0.735 177.687 176.870 0.136 0.000 1.347 127 L CA -0.366 54.564 54.840 0.151 0.000 1.246 127 L CB -0.258 41.844 42.059 0.071 0.000 1.496 127 L HN 0.089 nan 8.230 nan 0.000 0.413 128 Y N 1.114 121.455 120.300 0.068 0.000 2.315 128 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 128 Y C 1.830 177.748 175.900 0.030 0.000 1.154 128 Y CA 1.578 59.711 58.100 0.054 0.000 1.229 128 Y CB 0.174 38.667 38.460 0.055 0.000 0.980 128 Y HN 0.475 nan 8.280 nan 0.000 0.540 129 N N 0.035 118.762 118.700 0.044 0.000 2.205 129 N HA 0.041 4.781 4.740 -0.000 0.000 0.201 129 N C -0.452 175.012 175.510 -0.077 0.000 1.128 129 N CA -0.071 52.962 53.050 -0.029 0.000 0.867 129 N CB 0.121 38.652 38.487 0.075 0.000 0.996 129 N HN 0.196 nan 8.380 nan 0.000 0.503 130 L N 1.653 122.822 121.223 -0.090 0.000 2.513 130 L HA -0.013 4.327 4.340 -0.000 0.000 0.272 130 L C 1.251 178.034 176.870 -0.144 0.000 1.187 130 L CA 0.739 55.507 54.840 -0.121 0.000 0.895 130 L CB 0.627 42.591 42.059 -0.158 0.000 1.147 130 L HN -0.084 nan 8.230 nan 0.000 0.483 131 K N 1.550 121.872 120.400 -0.129 0.000 2.335 131 K HA 0.198 4.518 4.320 -0.000 0.000 0.195 131 K C 0.095 176.610 176.600 -0.141 0.000 1.058 131 K CA 0.107 56.318 56.287 -0.127 0.000 0.988 131 K CB 0.653 33.095 32.500 -0.097 0.000 0.880 131 K HN 0.586 nan 8.250 nan 0.000 0.513 132 S N 0.699 116.310 115.700 -0.149 0.000 2.538 132 S HA 0.575 5.045 4.470 -0.000 0.000 0.288 132 S C -1.973 172.513 174.600 -0.189 0.000 1.108 132 S CA -0.750 57.359 58.200 -0.152 0.000 0.971 132 S CB 1.096 64.227 63.200 -0.115 0.000 1.041 132 S HN 0.117 nan 8.310 nan 0.000 0.483 133 L N 3.708 124.807 121.223 -0.207 0.000 2.505 133 L HA 0.622 4.962 4.340 -0.000 0.000 0.266 133 L C -1.302 175.468 176.870 -0.168 0.000 0.954 133 L CA -0.028 54.669 54.840 -0.238 0.000 0.852 133 L CB 2.017 43.847 42.059 -0.382 0.000 1.282 133 L HN 0.691 nan 8.230 nan 0.000 0.403 134 E N 4.393 124.526 120.200 -0.111 0.000 2.165 134 E HA 0.679 5.029 4.350 -0.000 0.000 0.266 134 E C -1.104 175.495 176.600 -0.002 0.000 0.889 134 E CA -0.674 55.697 56.400 -0.049 0.000 0.756 134 E CB 2.237 31.920 29.700 -0.028 0.000 1.131 134 E HN 0.524 nan 8.360 nan 0.000 0.411 135 V N -0.445 119.490 119.914 0.035 0.000 3.141 135 V HA 1.017 5.136 4.120 -0.000 0.000 0.312 135 V C 0.046 176.191 176.094 0.084 0.000 1.157 135 V CA -0.453 61.904 62.300 0.095 0.000 1.041 135 V CB 1.652 33.584 31.823 0.181 0.000 1.071 135 V HN 0.829 nan 8.190 nan 0.000 0.441 136 G N 1.334 110.185 108.800 0.085 0.000 2.528 136 G HA2 0.523 4.483 3.960 -0.000 0.000 0.681 136 G HA3 0.523 4.483 3.960 -0.000 0.000 0.681 136 G C -1.534 173.390 174.900 0.042 0.000 1.340 136 G CA 0.007 45.144 45.100 0.062 0.000 0.855 136 G HN 2.110 nan 8.290 nan 0.000 0.649 137 D N -0.857 119.561 120.400 0.030 0.000 2.653 137 D HA 0.428 5.067 4.640 -0.000 0.000 0.258 137 D C 0.597 176.903 176.300 0.009 0.000 1.252 137 D CA -0.824 53.186 54.000 0.016 0.000 0.777 137 D CB 0.148 40.962 40.800 0.022 0.000 1.339 137 D HN 0.215 nan 8.370 nan 0.000 0.422 138 N N -0.375 118.326 118.700 0.001 0.000 2.348 138 N HA -0.071 4.669 4.740 -0.000 0.000 0.185 138 N C 0.303 175.816 175.510 0.006 0.000 1.019 138 N CA 1.056 54.107 53.050 0.002 0.000 0.880 138 N CB -0.112 38.374 38.487 -0.002 0.000 0.965 138 N HN 0.391 nan 8.380 nan 0.000 0.437 139 D N -0.546 119.860 120.400 0.009 0.000 2.354 139 D HA 0.042 4.681 4.640 -0.000 0.000 0.209 139 D C -0.009 176.300 176.300 0.015 0.000 1.015 139 D CA -0.066 53.940 54.000 0.011 0.000 0.867 139 D CB -0.014 40.793 40.800 0.013 0.000 0.933 139 D HN 0.127 nan 8.370 nan 0.000 0.520 140 L N 1.503 122.736 121.223 0.017 0.000 2.433 140 L HA 0.071 4.411 4.340 -0.000 0.000 0.275 140 L C 0.928 177.809 176.870 0.018 0.000 1.128 140 L CA 0.187 55.039 54.840 0.020 0.000 0.875 140 L CB 0.950 43.022 42.059 0.022 0.000 1.171 140 L HN -0.067 nan 8.230 nan 0.000 0.463 141 V N 2.830 122.765 119.914 0.036 0.000 3.562 141 V HA 0.367 4.487 4.120 -0.000 0.000 0.270 141 V C -0.266 175.901 176.094 0.121 0.000 1.418 141 V CA -0.353 61.978 62.300 0.052 0.000 1.033 141 V CB -0.475 31.372 31.823 0.040 0.000 0.820 141 V HN 0.672 nan 8.190 nan 0.000 0.441 142 Y N 0.261 120.529 120.300 -0.054 0.000 2.470 142 Y HA 0.764 5.313 4.550 -0.000 0.000 0.341 142 Y C -1.105 174.738 175.900 -0.095 0.000 1.021 142 Y CA -1.738 56.317 58.100 -0.075 0.000 1.025 142 Y CB 2.014 40.422 38.460 -0.087 0.000 1.266 142 Y HN 0.104 nan 8.280 nan 0.000 0.448 143 I N 5.476 125.559 120.570 -0.811 0.000 2.406 143 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 143 I C -0.221 175.201 176.117 -1.159 0.000 0.999 143 I CA -0.762 60.095 61.300 -0.739 0.000 1.124 143 I CB 1.828 39.554 38.000 -0.457 0.000 1.289 143 I HN 0.711 nan 8.210 nan 0.000 0.441 144 S N 4.270 119.501 115.700 -0.782 0.000 2.603 144 S HA 0.210 4.679 4.470 -0.000 0.000 0.268 144 S C 1.140 175.462 174.600 -0.463 0.000 1.317 144 S CA -0.495 57.354 58.200 -0.584 0.000 1.012 144 S CB 0.843 63.892 63.200 -0.253 0.000 0.926 144 S HN 0.535 nan 8.310 nan 0.000 0.539 145 H N 1.850 120.766 119.070 -0.256 0.000 2.353 145 H HA -0.037 4.519 4.556 -0.000 0.000 0.298 145 H C 1.058 176.103 175.328 -0.472 0.000 1.103 145 H CA 1.668 57.563 56.048 -0.256 0.000 1.293 145 H CB -0.118 29.579 29.762 -0.109 0.000 1.372 145 H HN 0.625 nan 8.280 nan 0.000 0.501 146 R N 0.597 120.879 120.500 -0.363 0.000 2.831 146 R HA 0.388 4.728 4.340 -0.000 0.000 0.337 146 R C 1.498 177.539 176.300 -0.432 0.000 1.200 146 R CA 0.223 56.017 56.100 -0.510 0.000 1.088 146 R CB 0.566 30.584 30.300 -0.469 0.000 1.397 146 R HN 0.149 nan 8.270 nan 0.000 0.581 147 A N 0.555 123.110 122.820 -0.441 0.000 1.930 147 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 147 A C 1.104 178.575 177.584 -0.190 0.000 1.175 147 A CA 1.056 52.833 52.037 -0.433 0.000 0.627 147 A CB -0.154 18.440 19.000 -0.677 0.000 0.815 147 A HN 0.254 nan 8.150 nan 0.000 0.443 148 F N 0.434 120.404 119.950 0.033 0.000 2.765 148 F HA 0.257 4.784 4.527 -0.000 0.000 0.302 148 F C 1.387 177.256 175.800 0.116 0.000 1.111 148 F CA -0.481 57.585 58.000 0.110 0.000 1.359 148 F CB -0.599 38.406 39.000 0.007 0.000 1.097 148 F HN 0.037 nan 8.300 nan 0.000 0.577 149 S N 0.132 115.961 115.700 0.216 0.000 2.546 149 S HA 0.350 4.820 4.470 -0.000 0.000 0.290 149 S C 1.306 176.091 174.600 0.309 0.000 1.290 149 S CA 0.982 59.346 58.200 0.272 0.000 1.069 149 S CB 0.098 63.453 63.200 0.259 0.000 0.846 149 S HN 0.843 nan 8.310 nan 0.000 0.495 150 G N 3.513 112.481 108.800 0.280 0.000 2.176 150 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.232 150 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.232 150 G C 0.223 175.239 174.900 0.192 0.000 0.986 150 G CA 0.107 45.362 45.100 0.259 0.000 0.643 150 G HN 0.745 nan 8.290 nan 0.000 0.522 151 L N 1.444 122.750 121.223 0.137 0.000 2.727 151 L HA 0.268 4.607 4.340 -0.000 0.000 0.237 151 L C 1.568 178.396 176.870 -0.070 0.000 1.370 151 L CA -0.345 54.501 54.840 0.009 0.000 1.248 151 L CB -0.343 41.691 42.059 -0.042 0.000 1.556 151 L HN 0.105 nan 8.230 nan 0.000 0.420 152 N N -0.574 118.054 118.700 -0.121 0.000 2.364 152 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 152 N C 1.501 176.838 175.510 -0.289 0.000 1.022 152 N CA 0.988 53.921 53.050 -0.195 0.000 0.883 152 N CB 0.129 38.466 38.487 -0.250 0.000 0.965 152 N HN 0.271 nan 8.380 nan 0.000 0.438 153 S N -0.244 115.240 115.700 -0.360 0.000 2.556 153 S HA 0.181 4.650 4.470 -0.000 0.000 0.216 153 S C 0.199 174.692 174.600 -0.179 0.000 0.970 153 S CA -0.481 57.554 58.200 -0.275 0.000 0.912 153 S CB 0.174 63.194 63.200 -0.300 0.000 0.790 153 S HN 0.172 nan 8.310 nan 0.000 0.504 154 L N 2.732 123.852 121.223 -0.171 0.000 2.513 154 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 154 L C 0.946 177.732 176.870 -0.139 0.000 1.187 154 L CA 1.033 55.773 54.840 -0.167 0.000 0.895 154 L CB 0.347 42.285 42.059 -0.201 0.000 1.147 154 L HN 0.117 nan 8.230 nan 0.000 0.483 155 E N 2.300 122.421 120.200 -0.132 0.000 2.434 155 E HA 0.111 4.461 4.350 -0.000 0.000 0.207 155 E C -0.157 176.373 176.600 -0.117 0.000 0.929 155 E CA 0.036 56.371 56.400 -0.108 0.000 1.001 155 E CB 0.722 30.368 29.700 -0.091 0.000 1.016 155 E HN 0.629 nan 8.360 nan 0.000 0.502 156 Q N 1.296 121.015 119.800 -0.136 0.000 2.274 156 Q HA 0.452 4.791 4.340 -0.000 0.000 0.268 156 Q C -2.038 173.862 176.000 -0.167 0.000 1.015 156 Q CA -0.598 55.126 55.803 -0.132 0.000 0.775 156 Q CB 1.785 30.457 28.738 -0.110 0.000 1.256 156 Q HN 0.022 nan 8.270 nan 0.000 0.442 157 L N 2.595 123.717 121.223 -0.169 0.000 2.385 157 L HA 0.664 5.004 4.340 -0.000 0.000 0.273 157 L C -1.429 175.369 176.870 -0.121 0.000 0.990 157 L CA 0.111 54.829 54.840 -0.204 0.000 0.821 157 L CB 2.545 44.412 42.059 -0.321 0.000 1.279 157 L HN 0.554 nan 8.230 nan 0.000 0.412 158 T N 6.039 120.538 114.554 -0.092 0.000 2.786 158 T HA 0.553 4.903 4.350 -0.000 0.000 0.283 158 T C -1.087 173.613 174.700 0.000 0.000 0.992 158 T CA -0.151 61.935 62.100 -0.025 0.000 0.954 158 T CB 1.123 69.983 68.868 -0.013 0.000 0.934 158 T HN 0.485 nan 8.240 nan 0.000 0.440 159 L N 5.010 126.261 121.223 0.048 0.000 2.324 159 L HA 0.518 4.858 4.340 -0.000 0.000 0.274 159 L C -0.133 176.793 176.870 0.095 0.000 1.012 159 L CA -0.440 54.447 54.840 0.077 0.000 0.859 159 L CB 0.479 42.599 42.059 0.101 0.000 1.224 159 L HN 0.686 nan 8.230 nan 0.000 0.429 160 E N 3.344 123.592 120.200 0.080 0.000 2.244 160 E HA 0.453 4.803 4.350 -0.000 0.000 0.266 160 E C -0.683 175.954 176.600 0.061 0.000 0.914 160 E CA -0.934 55.522 56.400 0.093 0.000 0.794 160 E CB 1.346 31.103 29.700 0.094 0.000 1.210 160 E HN 0.419 nan 8.360 nan 0.000 0.414 161 K N -0.368 120.077 120.400 0.075 0.000 3.129 161 K HA -0.153 4.167 4.320 -0.000 0.000 0.273 161 K C -0.815 175.791 176.600 0.010 0.000 1.123 161 K CA 0.546 56.852 56.287 0.032 0.000 0.800 161 K CB -2.014 30.470 32.500 -0.026 0.000 1.238 161 K HN 0.608 nan 8.250 nan 0.000 0.492 162 C N -0.011 119.287 119.300 -0.004 0.000 2.335 162 C HA 0.302 4.761 4.460 -0.000 0.000 0.363 162 C C 1.208 176.180 174.990 -0.030 0.000 1.198 162 C CA -0.740 58.269 59.018 -0.016 0.000 2.279 162 C CB 1.073 28.798 27.740 -0.025 0.000 2.334 162 C HN 0.374 nan 8.230 nan 0.000 0.559 163 N N 0.957 119.645 118.700 -0.020 0.000 2.546 163 N HA 0.361 5.100 4.740 -0.000 0.000 0.286 163 N C -0.875 174.618 175.510 -0.029 0.000 1.259 163 N CA 0.020 53.056 53.050 -0.023 0.000 0.939 163 N CB -0.164 38.318 38.487 -0.008 0.000 1.243 163 N HN 0.493 nan 8.380 nan 0.000 0.511 164 L N -0.060 121.133 121.223 -0.050 0.000 2.326 164 L HA 0.267 4.607 4.340 -0.000 0.000 0.278 164 L C 1.900 178.729 176.870 -0.068 0.000 1.092 164 L CA -0.372 54.441 54.840 -0.046 0.000 0.810 164 L CB 1.089 43.114 42.059 -0.058 0.000 1.153 164 L HN 0.239 nan 8.230 nan 0.000 0.439 165 T N -2.229 112.302 114.554 -0.038 0.000 2.904 165 T HA -0.008 4.342 4.350 -0.000 0.000 0.267 165 T C 0.743 175.417 174.700 -0.042 0.000 1.059 165 T CA 0.717 62.792 62.100 -0.041 0.000 1.137 165 T CB -0.001 68.856 68.868 -0.018 0.000 0.879 165 T HN 0.651 nan 8.240 nan 0.000 0.467 166 S N -0.290 115.389 115.700 -0.034 0.000 2.661 166 S HA 0.673 5.143 4.470 -0.000 0.000 0.285 166 S C -0.617 173.962 174.600 -0.035 0.000 1.138 166 S CA -1.246 56.941 58.200 -0.022 0.000 0.855 166 S CB 0.999 64.200 63.200 0.003 0.000 1.136 166 S HN 0.287 nan 8.310 nan 0.000 0.484 167 I N 2.596 123.154 120.570 -0.020 0.000 2.683 167 I HA 0.176 4.346 4.170 -0.000 0.000 0.286 167 I C -1.744 174.353 176.117 -0.033 0.000 1.175 167 I CA -1.448 59.836 61.300 -0.025 0.000 1.429 167 I CB 0.464 38.403 38.000 -0.101 0.000 1.371 167 I HN 0.498 nan 8.210 nan 0.000 0.569 168 P HA 0.061 nan 4.420 nan 0.000 0.230 168 P C 0.711 178.029 177.300 0.031 0.000 1.791 168 P CA -0.121 62.985 63.100 0.010 0.000 1.020 168 P CB -0.073 31.636 31.700 0.015 0.000 1.977 169 T N 0.411 114.955 114.554 -0.016 0.000 2.592 169 T HA -0.260 4.089 4.350 -0.000 0.000 0.267 169 T C 1.585 176.311 174.700 0.042 0.000 1.060 169 T CA 2.129 64.214 62.100 -0.024 0.000 1.167 169 T CB -0.388 68.454 68.868 -0.043 0.000 0.863 169 T HN 0.418 nan 8.240 nan 0.000 0.431 170 E N 0.910 121.142 120.200 0.053 0.000 2.077 170 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 170 E C 2.340 179.029 176.600 0.148 0.000 0.989 170 E CA 1.033 57.474 56.400 0.068 0.000 0.800 170 E CB -0.306 29.375 29.700 -0.033 0.000 0.746 170 E HN 0.487 nan 8.360 nan 0.000 0.452 171 A N 0.775 123.670 122.820 0.124 0.000 1.930 171 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 171 A C 2.177 179.925 177.584 0.272 0.000 1.175 171 A CA 0.950 53.043 52.037 0.094 0.000 0.627 171 A CB -0.527 18.451 19.000 -0.037 0.000 0.815 171 A HN 0.332 nan 8.150 nan 0.000 0.443 172 L N 0.486 121.853 121.223 0.240 0.000 2.141 172 L HA -0.139 4.200 4.340 -0.000 0.000 0.209 172 L C 2.842 179.766 176.870 0.090 0.000 1.094 172 L CA 1.365 56.313 54.840 0.180 0.000 0.763 172 L CB -0.463 41.676 42.059 0.135 0.000 0.908 172 L HN 0.599 nan 8.230 nan 0.000 0.437 173 S N -1.586 114.173 115.700 0.098 0.000 2.500 173 S HA -0.207 4.262 4.470 -0.000 0.000 0.239 173 S C 1.586 176.047 174.600 -0.232 0.000 0.989 173 S CA 0.870 59.050 58.200 -0.033 0.000 0.951 173 S CB -0.558 62.650 63.200 0.014 0.000 0.759 173 S HN 0.478 nan 8.310 nan 0.000 0.523 174 H N 0.903 119.854 119.070 -0.197 0.000 2.546 174 H HA 0.337 4.892 4.556 -0.000 0.000 0.277 174 H C 0.351 175.432 175.328 -0.411 0.000 1.004 174 H CA 0.602 56.495 56.048 -0.258 0.000 1.231 174 H CB -0.183 29.583 29.762 0.006 0.000 1.382 174 H HN 0.383 nan 8.280 nan 0.000 0.580 175 L N 1.201 122.275 121.223 -0.248 0.000 2.598 175 L HA 0.143 4.483 4.340 -0.000 0.000 0.241 175 L C 0.391 177.133 176.870 -0.213 0.000 1.244 175 L CA -0.132 54.593 54.840 -0.191 0.000 1.198 175 L CB -0.038 41.923 42.059 -0.164 0.000 1.448 175 L HN 0.319 nan 8.230 nan 0.000 0.406 176 H N 0.274 119.349 119.070 0.007 0.000 2.560 176 H HA -0.051 4.505 4.556 -0.000 0.000 0.283 176 H C 1.926 177.289 175.328 0.059 0.000 1.028 176 H CA 0.920 56.988 56.048 0.034 0.000 1.221 176 H CB 0.318 30.180 29.762 0.167 0.000 1.363 176 H HN 0.642 nan 8.280 nan 0.000 0.594 177 G N -0.134 108.719 108.800 0.088 0.000 3.020 177 G HA2 0.054 4.014 3.960 -0.000 0.000 0.217 177 G HA3 0.054 4.014 3.960 -0.000 0.000 0.217 177 G C 0.215 175.105 174.900 -0.018 0.000 1.144 177 G CA -0.387 44.738 45.100 0.041 0.000 0.760 177 G HN 0.136 nan 8.290 nan 0.000 0.548 178 L N 1.504 122.698 121.223 -0.049 0.000 2.559 178 L HA 0.233 4.573 4.340 -0.000 0.000 0.274 178 L C 1.191 178.020 176.870 -0.067 0.000 1.205 178 L CA 0.440 55.229 54.840 -0.084 0.000 0.907 178 L CB 0.575 42.566 42.059 -0.114 0.000 1.153 178 L HN 0.120 nan 8.230 nan 0.000 0.490 179 I N 4.132 124.657 120.570 -0.075 0.000 2.927 179 I HA 0.072 4.242 4.170 -0.000 0.000 0.268 179 I C -0.147 175.920 176.117 -0.083 0.000 1.153 179 I CA 0.219 61.477 61.300 -0.069 0.000 1.459 179 I CB 0.226 38.187 38.000 -0.065 0.000 1.149 179 I HN 0.273 nan 8.210 nan 0.000 0.443 180 V N 2.800 122.659 119.914 -0.091 0.000 2.531 180 V HA 0.434 4.553 4.120 -0.000 0.000 0.301 180 V C -1.011 175.027 176.094 -0.094 0.000 1.034 180 V CA -0.617 61.628 62.300 -0.093 0.000 0.865 180 V CB 2.407 34.176 31.823 -0.089 0.000 0.995 180 V HN 0.025 nan 8.190 nan 0.000 0.424 181 L N 6.034 127.206 121.223 -0.086 0.000 2.376 181 L HA 0.681 5.021 4.340 -0.000 0.000 0.275 181 L C -0.403 176.454 176.870 -0.022 0.000 0.987 181 L CA -0.231 54.573 54.840 -0.060 0.000 0.828 181 L CB 1.637 43.666 42.059 -0.050 0.000 1.249 181 L HN 0.610 nan 8.230 nan 0.000 0.409 182 R N 6.117 126.623 120.500 0.009 0.000 2.360 182 R HA 0.641 4.981 4.340 -0.000 0.000 0.318 182 R C -1.413 174.968 176.300 0.134 0.000 0.950 182 R CA -0.638 55.495 56.100 0.055 0.000 0.837 182 R CB 1.483 31.802 30.300 0.032 0.000 1.165 182 R HN 0.584 nan 8.270 nan 0.000 0.458 183 L N 4.412 125.775 121.223 0.232 0.000 2.324 183 L HA 0.536 4.876 4.340 -0.000 0.000 0.274 183 L C -0.026 177.160 176.870 0.527 0.000 1.012 183 L CA -0.547 54.530 54.840 0.394 0.000 0.859 183 L CB 1.159 43.599 42.059 0.635 0.000 1.224 183 L HN 0.414 nan 8.230 nan 0.000 0.429 184 R N 0.846 121.555 120.500 0.349 0.000 2.711 184 R HA 0.485 4.825 4.340 -0.000 0.000 0.284 184 R C -0.587 175.873 176.300 0.267 0.000 0.968 184 R CA -1.269 55.017 56.100 0.309 0.000 0.924 184 R CB 1.292 31.733 30.300 0.236 0.000 1.162 184 R HN 0.508 nan 8.270 nan 0.000 0.465 185 H N 0.441 119.648 119.070 0.229 0.000 2.591 185 H HA -0.176 4.380 4.556 -0.000 0.000 0.325 185 H C -0.986 174.312 175.328 -0.050 0.000 1.096 185 H CA 0.418 56.523 56.048 0.095 0.000 1.108 185 H CB -1.376 28.388 29.762 0.004 0.000 1.590 185 H HN 0.276 nan 8.280 nan 0.000 0.399 186 L N 0.024 121.121 121.223 -0.210 0.000 2.319 186 L HA 0.384 4.724 4.340 -0.000 0.000 0.267 186 L C 0.982 177.667 176.870 -0.308 0.000 1.011 186 L CA -1.031 53.538 54.840 -0.452 0.000 0.818 186 L CB 1.306 42.783 42.059 -0.969 0.000 1.316 186 L HN 0.188 nan 8.230 nan 0.000 0.432 187 N N 1.290 119.896 118.700 -0.157 0.000 2.276 187 N HA 0.280 5.020 4.740 -0.000 0.000 0.212 187 N C -0.122 175.404 175.510 0.028 0.000 1.127 187 N CA 0.078 53.183 53.050 0.092 0.000 0.834 187 N CB 0.148 38.677 38.487 0.070 0.000 1.014 187 N HN 0.432 nan 8.380 nan 0.000 0.491 188 I N 1.578 122.061 120.570 -0.145 0.000 2.496 188 I HA -0.040 4.130 4.170 -0.000 0.000 0.285 188 I C 1.339 177.587 176.117 0.218 0.000 1.080 188 I CA -0.240 61.031 61.300 -0.048 0.000 1.404 188 I CB 0.715 38.575 38.000 -0.232 0.000 1.403 188 I HN 0.096 nan 8.210 nan 0.000 0.539 189 N N 4.713 123.519 118.700 0.178 0.000 2.353 189 N HA 0.254 4.993 4.740 -0.000 0.000 0.185 189 N C -0.160 175.475 175.510 0.209 0.000 1.098 189 N CA 0.004 53.188 53.050 0.222 0.000 0.872 189 N CB 0.674 39.243 38.487 0.136 0.000 0.970 189 N HN 0.576 nan 8.380 nan 0.000 0.467 190 A N 0.058 123.002 122.820 0.206 0.000 2.547 190 A HA 0.596 4.916 4.320 -0.000 0.000 0.297 190 A C -1.490 176.208 177.584 0.189 0.000 1.056 190 A CA -0.776 51.361 52.037 0.165 0.000 0.688 190 A CB 0.964 20.023 19.000 0.099 0.000 1.282 190 A HN 0.182 nan 8.150 nan 0.000 0.400 191 I N 3.471 124.134 120.570 0.155 0.000 2.337 191 I HA 0.303 4.472 4.170 -0.000 0.000 0.285 191 I C 0.376 176.532 176.117 0.065 0.000 1.041 191 I CA -0.705 60.675 61.300 0.134 0.000 1.199 191 I CB 0.758 38.845 38.000 0.146 0.000 1.370 191 I HN 0.585 nan 8.210 nan 0.000 0.470 192 R N 3.244 123.765 120.500 0.035 0.000 2.580 192 R HA 0.242 4.582 4.340 -0.000 0.000 0.267 192 R C -0.383 175.884 176.300 -0.056 0.000 1.125 192 R CA -0.778 55.318 56.100 -0.006 0.000 1.188 192 R CB 0.510 30.811 30.300 0.002 0.000 1.155 192 R HN 0.425 nan 8.270 nan 0.000 0.586 193 D N 1.201 121.515 120.400 -0.143 0.000 2.493 193 D HA -0.017 4.623 4.640 -0.000 0.000 0.240 193 D C -0.113 176.020 176.300 -0.279 0.000 1.142 193 D CA 0.719 54.476 54.000 -0.404 0.000 0.872 193 D CB 0.038 40.436 40.800 -0.670 0.000 1.173 193 D HN 0.337 nan 8.370 nan 0.000 0.467 194 Y N -0.150 120.203 120.300 0.088 0.000 3.305 194 Y HA -0.250 4.300 4.550 -0.000 0.000 0.209 194 Y C 1.373 177.283 175.900 0.017 0.000 1.354 194 Y CA 0.218 58.378 58.100 0.100 0.000 1.392 194 Y CB -2.660 35.839 38.460 0.065 0.000 1.446 194 Y HN 0.248 nan 8.280 nan 0.000 0.553 195 S N -1.374 114.335 115.700 0.015 0.000 2.527 195 S HA 0.208 4.678 4.470 -0.000 0.000 0.222 195 S C 0.103 174.341 174.600 -0.605 0.000 0.985 195 S CA 0.277 58.285 58.200 -0.319 0.000 0.921 195 S CB 0.035 62.934 63.200 -0.501 0.000 0.772 195 S HN 0.349 nan 8.310 nan 0.000 0.529 196 F N 1.981 122.008 119.950 0.128 0.000 2.513 196 F HA 0.473 4.999 4.527 -0.000 0.000 0.358 196 F C 0.003 175.845 175.800 0.070 0.000 1.118 196 F CA -0.897 57.151 58.000 0.081 0.000 1.037 196 F CB 1.001 40.035 39.000 0.056 0.000 1.276 196 F HN -0.321 nan 8.300 nan 0.000 0.446 197 K N 1.831 122.320 120.400 0.149 0.000 2.207 197 K HA 0.614 4.933 4.320 -0.000 0.000 0.255 197 K C 0.362 176.935 176.600 -0.045 0.000 0.941 197 K CA -0.974 55.359 56.287 0.077 0.000 0.825 197 K CB 1.543 34.081 32.500 0.063 0.000 1.119 197 K HN 0.495 nan 8.250 nan 0.000 0.430 198 R N 0.862 121.262 120.500 -0.167 0.000 3.946 198 R HA -0.206 4.134 4.340 -0.000 0.000 0.329 198 R C -0.536 175.288 176.300 -0.793 0.000 1.209 198 R CA 0.528 56.272 56.100 -0.592 0.000 0.909 198 R CB -1.843 28.327 30.300 -0.218 0.000 1.355 198 R HN 0.504 nan 8.270 nan 0.000 0.539 199 L N 1.454 122.440 121.223 -0.396 0.000 2.422 199 L HA 0.145 4.485 4.340 -0.000 0.000 0.256 199 L C 0.883 177.655 176.870 -0.164 0.000 1.202 199 L CA -0.355 54.343 54.840 -0.238 0.000 1.119 199 L CB -0.099 41.918 42.059 -0.070 0.000 1.383 199 L HN 0.059 nan 8.230 nan 0.000 0.411 200 Y N 0.249 120.586 120.300 0.061 0.000 2.242 200 Y HA -0.074 4.476 4.550 -0.000 0.000 0.291 200 Y C 2.149 178.041 175.900 -0.014 0.000 1.137 200 Y CA 0.736 58.847 58.100 0.019 0.000 1.181 200 Y CB -0.134 38.339 38.460 0.021 0.000 0.989 200 Y HN 0.362 nan 8.280 nan 0.000 0.527 201 R N 0.040 120.617 120.500 0.128 0.000 2.334 201 R HA 0.149 4.489 4.340 -0.000 0.000 0.216 201 R C -0.004 176.291 176.300 -0.008 0.000 0.905 201 R CA -0.222 55.907 56.100 0.049 0.000 1.064 201 R CB -0.557 29.767 30.300 0.041 0.000 1.046 201 R HN 0.219 nan 8.270 nan 0.000 0.508 202 L N 1.952 123.161 121.223 -0.024 0.000 2.499 202 L HA -0.014 4.326 4.340 -0.000 0.000 0.273 202 L C 1.014 177.844 176.870 -0.066 0.000 1.195 202 L CA 0.929 55.731 54.840 -0.063 0.000 0.882 202 L CB 0.608 42.612 42.059 -0.093 0.000 1.133 202 L HN -0.128 nan 8.230 nan 0.000 0.483 203 K N 3.075 123.432 120.400 -0.072 0.000 2.511 203 K HA 0.307 4.626 4.320 -0.000 0.000 0.206 203 K C -0.871 175.688 176.600 -0.068 0.000 1.333 203 K CA 0.243 56.493 56.287 -0.062 0.000 0.957 203 K CB 0.942 33.408 32.500 -0.056 0.000 1.172 203 K HN 0.369 nan 8.250 nan 0.000 0.547 204 V N 2.818 122.679 119.914 -0.087 0.000 2.483 204 V HA 0.356 4.476 4.120 -0.000 0.000 0.297 204 V C -1.155 174.872 176.094 -0.112 0.000 1.027 204 V CA -0.977 61.266 62.300 -0.095 0.000 0.855 204 V CB 1.874 33.634 31.823 -0.105 0.000 0.995 204 V HN 0.041 nan 8.190 nan 0.000 0.424 205 L N 4.577 125.729 121.223 -0.119 0.000 2.343 205 L HA 0.600 4.940 4.340 -0.000 0.000 0.278 205 L C -0.256 176.556 176.870 -0.096 0.000 0.996 205 L CA 0.070 54.822 54.840 -0.147 0.000 0.831 205 L CB 1.555 43.460 42.059 -0.256 0.000 1.232 205 L HN 0.792 nan 8.230 nan 0.000 0.413 206 E N 6.085 126.248 120.200 -0.061 0.000 2.101 206 E HA 0.355 4.704 4.350 -0.000 0.000 0.260 206 E C -1.266 175.327 176.600 -0.012 0.000 0.897 206 E CA -0.484 55.899 56.400 -0.028 0.000 0.744 206 E CB 0.785 30.482 29.700 -0.004 0.000 1.140 206 E HN 0.702 nan 8.360 nan 0.000 0.419 207 I N 3.745 124.256 120.570 -0.097 0.000 2.331 207 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 207 I C -0.212 175.785 176.117 -0.200 0.000 0.998 207 I CA -0.125 61.039 61.300 -0.226 0.000 1.267 207 I CB 1.543 39.179 38.000 -0.606 0.000 1.386 207 I HN 0.466 nan 8.210 nan 0.000 0.476 208 S N 3.144 118.825 115.700 -0.033 0.000 2.537 208 S HA 0.479 4.949 4.470 -0.000 0.000 0.270 208 S C -0.523 174.222 174.600 0.242 0.000 1.142 208 S CA -0.763 57.469 58.200 0.054 0.000 0.870 208 S CB 0.990 64.271 63.200 0.135 0.000 1.112 208 S HN 0.813 nan 8.310 nan 0.000 0.466 209 H N -0.708 118.389 119.070 0.045 0.000 2.756 209 H HA -0.105 4.451 4.556 -0.000 0.000 0.315 209 H C -1.601 173.885 175.328 0.262 0.000 1.210 209 H CA 1.581 57.612 56.048 -0.028 0.000 1.150 209 H CB -1.656 27.732 29.762 -0.623 0.000 1.463 209 H HN 0.558 nan 8.280 nan 0.000 0.427 210 W N 0.638 121.943 121.300 0.008 0.000 2.253 210 W HA 0.347 5.007 4.660 -0.000 0.000 0.348 210 W C -1.852 174.648 176.519 -0.032 0.000 0.920 210 W CA -2.807 54.560 57.345 0.037 0.000 1.518 210 W CB 0.143 29.649 29.460 0.077 0.000 1.446 210 W HN 0.108 nan 8.180 nan 0.000 0.361 211 P HA -0.204 nan 4.420 nan 0.000 0.218 211 P C 0.535 177.674 177.300 -0.267 0.000 1.146 211 P CA 1.846 64.800 63.100 -0.243 0.000 0.813 211 P CB 0.108 31.463 31.700 -0.575 0.000 0.778 212 Y N -2.614 117.780 120.300 0.158 0.000 2.485 212 Y HA 0.279 4.829 4.550 -0.000 0.000 0.260 212 Y C 0.896 176.882 175.900 0.144 0.000 1.173 212 Y CA -0.906 57.268 58.100 0.124 0.000 1.252 212 Y CB -0.503 38.012 38.460 0.093 0.000 1.123 212 Y HN -0.182 nan 8.280 nan 0.000 0.524 213 L N 2.550 123.956 121.223 0.306 0.000 2.617 213 L HA 0.065 4.405 4.340 -0.000 0.000 0.282 213 L C 0.754 177.706 176.870 0.137 0.000 1.174 213 L CA 0.259 55.252 54.840 0.256 0.000 1.016 213 L CB -0.235 41.985 42.059 0.269 0.000 1.337 213 L HN 0.212 nan 8.230 nan 0.000 0.460 214 D N 1.754 122.230 120.400 0.127 0.000 2.091 214 D HA -0.040 4.600 4.640 -0.000 0.000 0.199 214 D C 0.404 176.734 176.300 0.050 0.000 0.980 214 D CA 1.575 55.621 54.000 0.078 0.000 0.831 214 D CB 0.189 41.034 40.800 0.076 0.000 0.987 214 D HN 0.627 nan 8.370 nan 0.000 0.460 215 T N -1.371 113.219 114.554 0.060 0.000 2.900 215 T HA 0.675 5.024 4.350 -0.000 0.000 0.295 215 T C -0.318 174.405 174.700 0.038 0.000 1.044 215 T CA -0.853 61.271 62.100 0.040 0.000 0.995 215 T CB 2.505 71.398 68.868 0.042 0.000 1.072 215 T HN -0.160 nan 8.240 nan 0.000 0.473 216 M N 3.177 122.787 119.600 0.017 0.000 2.106 216 M HA 0.314 4.794 4.480 -0.000 0.000 0.288 216 M C 0.200 176.506 176.300 0.011 0.000 0.941 216 M CA -0.744 54.565 55.300 0.015 0.000 0.934 216 M CB 2.295 34.890 32.600 -0.008 0.000 1.551 216 M HN 0.992 nan 8.290 nan 0.000 0.437 217 T N -0.273 114.287 114.554 0.010 0.000 2.860 217 T HA 0.265 4.615 4.350 -0.000 0.000 0.299 217 T C -2.047 172.649 174.700 -0.007 0.000 1.045 217 T CA -1.186 60.909 62.100 -0.007 0.000 1.071 217 T CB 0.534 69.383 68.868 -0.031 0.000 0.985 217 T HN 0.320 nan 8.240 nan 0.000 0.537 218 P HA -0.054 nan 4.420 nan 0.000 0.216 218 P C 0.748 178.073 177.300 0.041 0.000 1.150 218 P CA 0.987 64.100 63.100 0.022 0.000 0.843 218 P CB 0.018 31.733 31.700 0.024 0.000 0.787 219 N N -1.454 117.218 118.700 -0.045 0.000 2.320 219 N HA 0.015 4.755 4.740 -0.000 0.000 0.237 219 N C 1.076 176.524 175.510 -0.103 0.000 1.129 219 N CA -0.003 53.007 53.050 -0.068 0.000 0.854 219 N CB -1.009 37.300 38.487 -0.297 0.000 1.083 219 N HN 0.310 nan 8.380 nan 0.000 0.504 220 C N -1.102 118.190 119.300 -0.013 0.000 2.432 220 C HA 0.115 4.574 4.460 -0.000 0.000 0.280 220 C C 1.453 176.580 174.990 0.228 0.000 1.353 220 C CA 0.054 59.106 59.018 0.056 0.000 1.766 220 C CB -1.249 26.532 27.740 0.068 0.000 1.924 220 C HN 0.320 nan 8.230 nan 0.000 0.509 221 L N -0.933 120.422 121.223 0.221 0.000 2.928 221 L HA 0.301 4.641 4.340 -0.000 0.000 0.246 221 L C 0.412 177.426 176.870 0.240 0.000 1.239 221 L CA -0.686 54.298 54.840 0.240 0.000 1.035 221 L CB -0.933 41.194 42.059 0.113 0.000 1.360 221 L HN 0.257 nan 8.230 nan 0.000 0.529 222 Y N 1.775 122.174 120.300 0.165 0.000 2.811 222 Y HA 0.219 4.769 4.550 -0.000 0.000 0.334 222 Y C 1.493 177.493 175.900 0.167 0.000 1.247 222 Y CA 1.317 59.518 58.100 0.168 0.000 1.526 222 Y CB 0.675 39.312 38.460 0.295 0.000 1.284 222 Y HN 0.355 nan 8.280 nan 0.000 0.586 223 G N 4.115 112.546 108.800 -0.614 0.000 2.253 223 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.251 223 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.251 223 G C -0.097 174.715 174.900 -0.147 0.000 0.998 223 G CA 0.132 44.980 45.100 -0.420 0.000 0.621 223 G HN 0.687 nan 8.290 nan 0.000 0.524 224 L N 0.927 122.108 121.223 -0.069 0.000 2.331 224 L HA 0.435 4.775 4.340 -0.000 0.000 0.278 224 L C 0.451 177.303 176.870 -0.030 0.000 1.106 224 L CA -0.452 54.362 54.840 -0.044 0.000 0.824 224 L CB 1.185 43.207 42.059 -0.062 0.000 1.142 224 L HN 0.194 nan 8.230 nan 0.000 0.443 225 N N 4.168 122.853 118.700 -0.025 0.000 2.990 225 N HA 0.312 5.052 4.740 -0.000 0.000 0.288 225 N C -0.833 174.676 175.510 -0.001 0.000 1.624 225 N CA -0.302 52.748 53.050 0.001 0.000 0.961 225 N CB 0.175 38.644 38.487 -0.030 0.000 1.259 225 N HN 0.434 nan 8.380 nan 0.000 0.489 226 L N 0.271 121.498 121.223 0.006 0.000 2.417 226 L HA 0.299 4.639 4.340 -0.000 0.000 0.268 226 L C 1.574 178.468 176.870 0.040 0.000 1.158 226 L CA -0.240 54.597 54.840 -0.005 0.000 0.819 226 L CB 1.093 43.134 42.059 -0.029 0.000 1.112 226 L HN 0.412 nan 8.230 nan 0.000 0.458 227 T N -3.480 111.090 114.554 0.027 0.000 3.015 227 T HA 0.068 4.417 4.350 -0.000 0.000 0.250 227 T C 0.658 175.402 174.700 0.073 0.000 1.057 227 T CA -0.148 61.987 62.100 0.059 0.000 1.066 227 T CB 0.393 69.285 68.868 0.040 0.000 0.959 227 T HN 0.370 nan 8.240 nan 0.000 0.488 228 S N 0.621 116.346 115.700 0.042 0.000 2.614 228 S HA 0.712 5.182 4.470 -0.000 0.000 0.288 228 S C -1.798 172.839 174.600 0.062 0.000 1.137 228 S CA -0.827 57.420 58.200 0.078 0.000 0.992 228 S CB 1.359 64.512 63.200 -0.079 0.000 1.026 228 S HN 0.430 nan 8.310 nan 0.000 0.486 229 L N 4.191 125.499 121.223 0.142 0.000 2.409 229 L HA 0.770 5.110 4.340 -0.000 0.000 0.272 229 L C -1.135 175.797 176.870 0.103 0.000 0.980 229 L CA 0.143 55.017 54.840 0.058 0.000 0.826 229 L CB 2.108 44.171 42.059 0.006 0.000 1.268 229 L HN 0.538 nan 8.230 nan 0.000 0.407 230 S N 6.265 121.992 115.700 0.045 0.000 2.659 230 S HA 0.679 5.149 4.470 -0.000 0.000 0.312 230 S C -0.621 173.954 174.600 -0.042 0.000 1.114 230 S CA -0.266 57.966 58.200 0.053 0.000 1.063 230 S CB 0.805 64.061 63.200 0.093 0.000 0.996 230 S HN 0.511 nan 8.310 nan 0.000 0.478 231 I N 3.730 124.257 120.570 -0.072 0.000 2.437 231 I HA 0.375 4.545 4.170 -0.000 0.000 0.279 231 I C 0.197 176.250 176.117 -0.106 0.000 1.028 231 I CA -0.292 60.922 61.300 -0.144 0.000 1.142 231 I CB 1.387 39.278 38.000 -0.181 0.000 1.266 231 I HN 0.573 nan 8.210 nan 0.000 0.461 232 T N -0.328 114.180 114.554 -0.076 0.000 2.906 232 T HA 0.458 4.807 4.350 -0.000 0.000 0.295 232 T C 0.032 174.716 174.700 -0.028 0.000 1.075 232 T CA -0.696 61.389 62.100 -0.025 0.000 1.005 232 T CB 1.168 70.101 68.868 0.108 0.000 1.136 232 T HN 0.682 nan 8.240 nan 0.000 0.498 233 H N -1.626 117.373 119.070 -0.118 0.000 2.655 233 H HA -0.144 4.412 4.556 -0.000 0.000 0.313 233 H C 0.382 175.608 175.328 -0.169 0.000 1.141 233 H CA 0.694 56.598 56.048 -0.239 0.000 1.138 233 H CB -2.338 26.971 29.762 -0.756 0.000 1.446 233 H HN 0.804 nan 8.280 nan 0.000 0.415 234 C N -1.167 118.111 119.300 -0.037 0.000 3.156 234 C HA 0.420 4.880 4.460 -0.000 0.000 0.376 234 C C 1.585 176.571 174.990 -0.006 0.000 2.688 234 C CA -0.532 58.482 59.018 -0.006 0.000 1.735 234 C CB 1.206 28.920 27.740 -0.044 0.000 2.823 234 C HN 0.692 nan 8.230 nan 0.000 0.483 235 N N 0.099 118.807 118.700 0.013 0.000 2.480 235 N HA 0.382 5.122 4.740 -0.000 0.000 0.281 235 N C -0.864 174.649 175.510 0.006 0.000 1.381 235 N CA -0.035 53.024 53.050 0.015 0.000 0.903 235 N CB -0.211 38.302 38.487 0.042 0.000 1.274 235 N HN 0.457 nan 8.380 nan 0.000 0.505 236 L N 0.129 121.338 121.223 -0.023 0.000 2.426 236 L HA 0.209 4.549 4.340 -0.000 0.000 0.271 236 L C 1.597 178.443 176.870 -0.041 0.000 1.169 236 L CA 0.193 55.009 54.840 -0.040 0.000 0.836 236 L CB 1.135 43.149 42.059 -0.076 0.000 1.112 236 L HN 0.302 nan 8.230 nan 0.000 0.465 237 T N -1.846 112.685 114.554 -0.038 0.000 2.955 237 T HA 0.352 4.702 4.350 -0.000 0.000 0.251 237 T C 0.376 175.051 174.700 -0.043 0.000 1.002 237 T CA 0.256 62.338 62.100 -0.031 0.000 0.970 237 T CB 0.555 69.418 68.868 -0.008 0.000 1.091 237 T HN 0.573 nan 8.240 nan 0.000 0.495 238 A N 1.241 124.021 122.820 -0.066 0.000 2.350 238 A HA 0.784 5.104 4.320 -0.000 0.000 0.318 238 A C -0.236 177.210 177.584 -0.231 0.000 1.132 238 A CA -0.695 51.278 52.037 -0.107 0.000 0.811 238 A CB 1.450 20.414 19.000 -0.059 0.000 1.313 238 A HN 0.257 nan 8.150 nan 0.000 0.454 239 V N 2.328 121.991 119.914 -0.420 0.000 2.673 239 V HA 0.149 4.269 4.120 -0.000 0.000 0.303 239 V C -1.662 174.010 176.094 -0.705 0.000 1.046 239 V CA -0.377 61.532 62.300 -0.651 0.000 1.126 239 V CB 0.651 31.879 31.823 -0.992 0.000 0.934 239 V HN 0.766 nan 8.190 nan 0.000 0.487 240 P HA 0.103 nan 4.420 nan 0.000 0.230 240 P C 0.203 177.388 177.300 -0.191 0.000 1.791 240 P CA -0.095 62.864 63.100 -0.236 0.000 1.020 240 P CB -0.124 31.494 31.700 -0.137 0.000 1.977 241 Y N 0.645 120.924 120.300 -0.034 0.000 2.040 241 Y HA -0.254 4.296 4.550 -0.000 0.000 0.275 241 Y C 2.495 178.362 175.900 -0.054 0.000 1.171 241 Y CA 1.498 59.569 58.100 -0.047 0.000 1.123 241 Y CB -1.419 37.014 38.460 -0.045 0.000 0.963 241 Y HN 0.036 nan 8.280 nan 0.000 0.493 242 L N -0.750 120.546 121.223 0.121 0.000 2.017 242 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 242 L C 2.675 179.563 176.870 0.030 0.000 1.073 242 L CA 1.233 56.102 54.840 0.050 0.000 0.745 242 L CB -0.923 41.167 42.059 0.051 0.000 0.894 242 L HN 0.272 nan 8.230 nan 0.000 0.432 243 A N -0.268 122.568 122.820 0.027 0.000 2.024 243 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 243 A C 2.079 179.691 177.584 0.045 0.000 1.164 243 A CA 1.902 53.963 52.037 0.039 0.000 0.643 243 A CB -0.696 18.313 19.000 0.015 0.000 0.806 243 A HN 0.394 nan 8.150 nan 0.000 0.451 244 V N -1.788 118.132 119.914 0.011 0.000 3.621 244 V HA 0.053 4.173 4.120 -0.000 0.000 0.285 244 V C 1.871 177.955 176.094 -0.016 0.000 1.346 244 V CA 0.788 63.092 62.300 0.007 0.000 1.104 244 V CB -0.801 31.014 31.823 -0.014 0.000 0.913 244 V HN 0.664 nan 8.190 nan 0.000 0.432 245 R N -0.190 120.265 120.500 -0.076 0.000 2.211 245 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 245 R C 1.823 177.963 176.300 -0.266 0.000 1.144 245 R CA 2.232 58.208 56.100 -0.207 0.000 0.992 245 R CB -1.023 29.099 30.300 -0.296 0.000 0.869 245 R HN 0.626 nan 8.270 nan 0.000 0.462 246 H N 0.343 119.429 119.070 0.026 0.000 2.539 246 H HA 0.196 4.752 4.556 -0.000 0.000 0.269 246 H C 0.420 175.766 175.328 0.030 0.000 0.980 246 H CA 0.137 56.204 56.048 0.031 0.000 1.152 246 H CB 0.353 30.144 29.762 0.047 0.000 1.407 246 H HN 0.166 nan 8.280 nan 0.000 0.564 247 L N 2.772 124.055 121.223 0.100 0.000 2.533 247 L HA 0.029 4.369 4.340 -0.000 0.000 0.239 247 L C 1.616 178.524 176.870 0.064 0.000 1.376 247 L CA -0.293 54.599 54.840 0.087 0.000 1.240 247 L CB -0.006 42.086 42.059 0.054 0.000 1.487 247 L HN 0.048 nan 8.230 nan 0.000 0.419 248 V N -3.345 116.611 119.914 0.069 0.000 3.510 248 V HA -0.142 3.978 4.120 -0.000 0.000 0.270 248 V C 1.126 177.084 176.094 -0.227 0.000 1.201 248 V CA 1.002 63.260 62.300 -0.070 0.000 1.166 248 V CB -1.105 30.659 31.823 -0.099 0.000 0.825 248 V HN 0.526 nan 8.190 nan 0.000 0.484 249 Y N -0.601 119.707 120.300 0.014 0.000 2.481 249 Y HA 0.526 5.076 4.550 -0.000 0.000 0.247 249 Y C 0.920 176.827 175.900 0.012 0.000 1.151 249 Y CA -1.133 56.973 58.100 0.009 0.000 1.238 249 Y CB 0.649 39.110 38.460 0.002 0.000 1.179 249 Y HN 0.243 nan 8.280 nan 0.000 0.524 250 L N 1.354 122.645 121.223 0.113 0.000 2.540 250 L HA -0.007 4.333 4.340 -0.000 0.000 0.276 250 L C 0.989 177.904 176.870 0.074 0.000 1.212 250 L CA 1.000 55.891 54.840 0.085 0.000 0.893 250 L CB 0.527 42.618 42.059 0.055 0.000 1.138 250 L HN 0.218 nan 8.230 nan 0.000 0.491 251 R N 3.651 124.212 120.500 0.102 0.000 2.369 251 R HA 0.201 4.541 4.340 -0.000 0.000 0.210 251 R C -0.627 175.758 176.300 0.142 0.000 0.881 251 R CA -0.043 56.118 56.100 0.102 0.000 1.031 251 R CB 0.618 30.980 30.300 0.102 0.000 1.184 251 R HN 0.513 nan 8.270 nan 0.000 0.581 252 F N 1.307 121.251 119.950 -0.010 0.000 2.557 252 F HA 0.446 4.973 4.527 -0.000 0.000 0.316 252 F C -1.690 174.097 175.800 -0.023 0.000 1.141 252 F CA -1.309 56.681 58.000 -0.018 0.000 0.922 252 F CB 1.618 40.607 39.000 -0.018 0.000 1.194 252 F HN -0.264 nan 8.300 nan 0.000 0.443 253 L N 6.833 127.844 121.223 -0.353 0.000 2.376 253 L HA 0.539 4.879 4.340 -0.000 0.000 0.275 253 L C -1.695 174.954 176.870 -0.369 0.000 0.987 253 L CA -0.300 54.422 54.840 -0.197 0.000 0.828 253 L CB 1.453 43.437 42.059 -0.125 0.000 1.249 253 L HN 0.645 nan 8.230 nan 0.000 0.409 254 N N 5.197 123.828 118.700 -0.115 0.000 2.479 254 N HA 0.406 5.146 4.740 -0.000 0.000 0.261 254 N C -0.617 174.862 175.510 -0.051 0.000 0.979 254 N CA -0.247 52.763 53.050 -0.068 0.000 0.930 254 N CB 1.172 39.782 38.487 0.205 0.000 1.172 254 N HN 0.762 nan 8.380 nan 0.000 0.499 255 L N 1.285 122.445 121.223 -0.104 0.000 3.066 255 L HA 0.308 4.647 4.340 -0.000 0.000 0.265 255 L C 0.451 177.229 176.870 -0.153 0.000 1.232 255 L CA -0.207 54.564 54.840 -0.115 0.000 1.031 255 L CB 0.257 42.242 42.059 -0.123 0.000 1.379 255 L HN 0.295 nan 8.230 nan 0.000 0.563 256 S N -0.154 115.439 115.700 -0.179 0.000 2.558 256 S HA 0.011 4.481 4.470 -0.000 0.000 0.287 256 S C -0.024 174.362 174.600 -0.356 0.000 1.321 256 S CA 0.117 58.100 58.200 -0.362 0.000 1.048 256 S CB -0.124 62.859 63.200 -0.363 0.000 0.844 256 S HN 0.371 nan 8.310 nan 0.000 0.512 257 Y N -0.187 119.946 120.300 -0.278 0.000 3.234 257 Y HA -0.225 4.324 4.550 -0.000 0.000 0.207 257 Y C 0.208 175.948 175.900 -0.267 0.000 1.316 257 Y CA 0.002 57.887 58.100 -0.359 0.000 1.309 257 Y CB -2.307 35.685 38.460 -0.781 0.000 1.408 257 Y HN 0.540 nan 8.280 nan 0.000 0.544 258 N N 1.060 119.694 118.700 -0.110 0.000 2.272 258 N HA 0.346 5.085 4.740 -0.000 0.000 0.305 258 N C -2.645 172.828 175.510 -0.063 0.000 1.103 258 N CA -1.899 51.106 53.050 -0.075 0.000 0.791 258 N CB 2.065 40.500 38.487 -0.086 0.000 1.356 258 N HN -0.169 nan 8.380 nan 0.000 0.486 259 P HA 0.197 nan 4.420 nan 0.000 0.232 259 P C -0.208 177.071 177.300 -0.035 0.000 1.738 259 P CA 0.144 63.227 63.100 -0.028 0.000 0.948 259 P CB -0.496 31.197 31.700 -0.010 0.000 1.943 260 I N 1.087 121.625 120.570 -0.053 0.000 2.371 260 I HA 0.033 4.203 4.170 -0.000 0.000 0.290 260 I C 1.637 177.730 176.117 -0.039 0.000 1.028 260 I CA 0.068 61.336 61.300 -0.053 0.000 1.345 260 I CB 1.140 39.093 38.000 -0.078 0.000 1.407 260 I HN 0.075 nan 8.210 nan 0.000 0.501 261 S N 2.235 117.921 115.700 -0.023 0.000 2.511 261 S HA 0.119 4.589 4.470 -0.000 0.000 0.214 261 S C 0.593 175.187 174.600 -0.011 0.000 0.997 261 S CA -0.149 58.042 58.200 -0.015 0.000 0.908 261 S CB 0.373 63.569 63.200 -0.007 0.000 0.803 261 S HN 0.712 nan 8.310 nan 0.000 0.504 262 T N 0.850 115.400 114.554 -0.006 0.000 2.932 262 T HA 0.603 4.953 4.350 -0.000 0.000 0.318 262 T C -1.938 172.773 174.700 0.018 0.000 1.265 262 T CA -0.812 61.288 62.100 0.000 0.000 1.036 262 T CB 1.207 70.080 68.868 0.008 0.000 1.209 262 T HN 0.256 nan 8.240 nan 0.000 0.484 263 I N 3.848 124.414 120.570 -0.008 0.000 2.355 263 I HA 0.379 4.549 4.170 -0.000 0.000 0.288 263 I C 0.611 176.698 176.117 -0.050 0.000 0.999 263 I CA -0.816 60.490 61.300 0.009 0.000 1.163 263 I CB 1.566 39.508 38.000 -0.096 0.000 1.316 263 I HN 0.642 nan 8.210 nan 0.000 0.454 264 E N 3.712 123.913 120.200 0.002 0.000 2.392 264 E HA 0.324 4.674 4.350 -0.000 0.000 0.256 264 E C 0.399 176.868 176.600 -0.217 0.000 1.145 264 E CA -0.426 55.889 56.400 -0.142 0.000 0.929 264 E CB 0.947 30.507 29.700 -0.234 0.000 0.998 264 E HN 0.730 nan 8.360 nan 0.000 0.442 265 G N -0.233 108.461 108.800 -0.176 0.000 2.420 265 G HA2 0.238 4.198 3.960 -0.000 0.000 0.284 265 G HA3 0.238 4.198 3.960 -0.000 0.000 0.284 265 G C -0.251 174.589 174.900 -0.100 0.000 1.177 265 G CA -0.478 44.548 45.100 -0.124 0.000 0.841 265 G HN 0.488 nan 8.290 nan 0.000 0.527 266 S N 0.473 116.154 115.700 -0.031 0.000 3.631 266 S HA -0.141 4.329 4.470 -0.000 0.000 0.366 266 S C 0.907 175.526 174.600 0.032 0.000 0.993 266 S CA 0.965 59.182 58.200 0.029 0.000 1.167 266 S CB -0.835 62.391 63.200 0.043 0.000 0.909 266 S HN 0.615 nan 8.310 nan 0.000 0.478 267 M N -0.990 118.555 119.600 -0.091 0.000 2.340 267 M HA 0.372 4.851 4.480 -0.000 0.000 0.345 267 M C 0.766 177.009 176.300 -0.095 0.000 1.008 267 M CA 0.476 55.637 55.300 -0.232 0.000 0.987 267 M CB -0.147 31.947 32.600 -0.843 0.000 1.598 267 M HN 0.428 nan 8.290 nan 0.000 0.569 268 L N -0.478 120.728 121.223 -0.030 0.000 3.217 268 L HA 0.133 4.473 4.340 -0.000 0.000 0.288 268 L C 2.008 178.816 176.870 -0.104 0.000 1.202 268 L CA -0.014 54.812 54.840 -0.023 0.000 1.027 268 L CB -0.105 42.015 42.059 0.102 0.000 1.427 268 L HN 0.297 nan 8.230 nan 0.000 0.600 269 H N -0.542 118.504 119.070 -0.040 0.000 2.518 269 H HA -0.099 4.457 4.556 -0.000 0.000 0.294 269 H C 0.921 176.210 175.328 -0.066 0.000 1.083 269 H CA 0.977 56.986 56.048 -0.067 0.000 1.264 269 H CB 0.013 29.726 29.762 -0.082 0.000 1.370 269 H HN 0.348 nan 8.280 nan 0.000 0.560 270 E N 1.199 121.136 120.200 -0.438 0.000 2.347 270 E HA 0.060 4.410 4.350 -0.000 0.000 0.196 270 E C 1.140 177.658 176.600 -0.136 0.000 1.008 270 E CA 0.127 56.372 56.400 -0.258 0.000 0.852 270 E CB 0.155 29.667 29.700 -0.312 0.000 0.783 270 E HN 0.558 nan 8.360 nan 0.000 0.505 271 L N 2.038 123.195 121.223 -0.109 0.000 2.796 271 L HA 0.184 4.524 4.340 -0.000 0.000 0.235 271 L C 1.500 178.340 176.870 -0.050 0.000 1.344 271 L CA -0.283 54.518 54.840 -0.065 0.000 1.245 271 L CB -0.265 41.774 42.059 -0.033 0.000 1.556 271 L HN -0.039 nan 8.230 nan 0.000 0.423 272 L N -0.307 120.875 121.223 -0.069 0.000 2.089 272 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 272 L C 2.210 179.102 176.870 0.036 0.000 1.079 272 L CA 1.681 56.492 54.840 -0.047 0.000 0.758 272 L CB -0.454 41.570 42.059 -0.059 0.000 0.891 272 L HN 0.533 nan 8.230 nan 0.000 0.433 273 R N -0.651 119.852 120.500 0.004 0.000 2.334 273 R HA 0.157 4.497 4.340 -0.000 0.000 0.216 273 R C 0.029 176.360 176.300 0.052 0.000 0.905 273 R CA -0.483 55.641 56.100 0.039 0.000 1.064 273 R CB 0.201 30.472 30.300 -0.048 0.000 1.046 273 R HN 0.069 nan 8.270 nan 0.000 0.508 274 L N 2.355 123.600 121.223 0.036 0.000 2.499 274 L HA -0.077 4.263 4.340 -0.000 0.000 0.273 274 L C 1.064 177.950 176.870 0.026 0.000 1.195 274 L CA 1.103 55.953 54.840 0.018 0.000 0.882 274 L CB 0.738 42.792 42.059 -0.009 0.000 1.133 274 L HN 0.230 nan 8.230 nan 0.000 0.483 275 Q N 2.328 122.134 119.800 0.010 0.000 2.210 275 Q HA 0.249 4.589 4.340 -0.000 0.000 0.252 275 Q C -0.143 175.830 176.000 -0.046 0.000 0.811 275 Q CA -0.154 55.654 55.803 0.009 0.000 0.953 275 Q CB 0.933 29.695 28.738 0.040 0.000 1.136 275 Q HN 0.665 nan 8.270 nan 0.000 0.491 276 E N 1.339 121.478 120.200 -0.102 0.000 2.260 276 E HA 0.482 4.832 4.350 -0.000 0.000 0.266 276 E C -1.552 174.823 176.600 -0.376 0.000 0.887 276 E CA -0.464 55.811 56.400 -0.208 0.000 0.777 276 E CB 1.555 31.158 29.700 -0.162 0.000 1.205 276 E HN 0.182 nan 8.360 nan 0.000 0.414 277 I N 4.134 124.509 120.570 -0.325 0.000 2.389 277 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 277 I C -0.449 175.501 176.117 -0.278 0.000 0.999 277 I CA -0.933 60.178 61.300 -0.315 0.000 1.129 277 I CB 1.657 39.521 38.000 -0.226 0.000 1.288 277 I HN 0.411 nan 8.210 nan 0.000 0.444 278 Q N 7.187 126.792 119.800 -0.325 0.000 2.307 278 Q HA 0.557 4.897 4.340 -0.000 0.000 0.262 278 Q C -0.777 175.120 176.000 -0.171 0.000 0.961 278 Q CA -0.468 55.205 55.803 -0.218 0.000 0.882 278 Q CB 3.146 31.764 28.738 -0.199 0.000 1.264 278 Q HN 0.618 nan 8.270 nan 0.000 0.446 279 L N 3.108 124.240 121.223 -0.151 0.000 2.420 279 L HA 0.273 4.612 4.340 -0.000 0.000 0.260 279 L C -0.845 175.894 176.870 -0.219 0.000 1.508 279 L CA -0.586 54.151 54.840 -0.171 0.000 0.835 279 L CB 1.285 43.282 42.059 -0.104 0.000 1.018 279 L HN 0.430 nan 8.230 nan 0.000 0.520 280 V N 0.007 119.715 119.914 -0.343 0.000 2.713 280 V HA 0.886 5.006 4.120 -0.000 0.000 0.307 280 V C 1.032 176.701 176.094 -0.707 0.000 1.052 280 V CA 0.600 62.662 62.300 -0.397 0.000 0.967 280 V CB 1.507 33.156 31.823 -0.291 0.000 1.019 280 V HN 0.780 nan 8.190 nan 0.000 0.459 281 G N 2.541 111.078 108.800 -0.439 0.000 2.225 281 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.267 281 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.267 281 G C 0.631 175.385 174.900 -0.243 0.000 1.024 281 G CA 0.757 45.666 45.100 -0.320 0.000 0.784 281 G HN 1.775 nan 8.290 nan 0.000 0.507 282 G N -1.406 107.259 108.800 -0.226 0.000 2.735 282 G HA2 0.498 4.458 3.960 -0.000 0.000 0.192 282 G HA3 0.498 4.458 3.960 -0.000 0.000 0.192 282 G C 0.511 175.368 174.900 -0.073 0.000 1.547 282 G CA 0.509 45.524 45.100 -0.140 0.000 1.080 282 G HN 0.517 nan 8.290 nan 0.000 0.569 283 Q N -0.700 119.067 119.800 -0.056 0.000 2.074 283 Q HA 0.277 4.617 4.340 -0.000 0.000 0.265 283 Q C -0.401 175.583 176.000 -0.028 0.000 0.855 283 Q CA -0.225 55.559 55.803 -0.032 0.000 1.083 283 Q CB 0.848 29.573 28.738 -0.021 0.000 1.260 283 Q HN 0.256 nan 8.270 nan 0.000 0.427 284 L N 0.902 122.104 121.223 -0.035 0.000 2.562 284 L HA 0.070 4.409 4.340 -0.000 0.000 0.271 284 L C 1.107 177.968 176.870 -0.014 0.000 1.167 284 L CA 0.085 54.910 54.840 -0.025 0.000 0.917 284 L CB 0.586 42.630 42.059 -0.025 0.000 1.187 284 L HN 0.330 nan 8.230 nan 0.000 0.482 285 A N 4.472 127.286 122.820 -0.010 0.000 2.063 285 A HA 0.344 4.664 4.320 -0.000 0.000 0.211 285 A C 0.469 178.053 177.584 -0.001 0.000 1.177 285 A CA 0.308 52.343 52.037 -0.003 0.000 0.759 285 A CB 0.507 19.506 19.000 -0.002 0.000 0.857 285 A HN 0.437 nan 8.150 nan 0.000 0.468 286 V N -0.207 119.702 119.914 -0.007 0.000 2.851 286 V HA 0.411 4.531 4.120 -0.000 0.000 0.307 286 V C -1.077 174.999 176.094 -0.030 0.000 1.129 286 V CA -0.788 61.505 62.300 -0.011 0.000 0.932 286 V CB 1.706 33.519 31.823 -0.017 0.000 1.024 286 V HN -0.067 nan 8.190 nan 0.000 0.426 287 V N 3.504 123.396 119.914 -0.037 0.000 2.328 287 V HA 0.370 4.490 4.120 -0.000 0.000 0.278 287 V C 0.347 176.368 176.094 -0.120 0.000 1.021 287 V CA -0.547 61.690 62.300 -0.105 0.000 0.838 287 V CB 1.055 32.820 31.823 -0.097 0.000 0.999 287 V HN 0.908 nan 8.190 nan 0.000 0.447 288 E N 5.592 125.706 120.200 -0.144 0.000 2.390 288 E HA 0.223 4.573 4.350 -0.000 0.000 0.261 288 E C -2.424 174.094 176.600 -0.136 0.000 1.076 288 E CA -1.736 54.593 56.400 -0.118 0.000 0.905 288 E CB 0.324 29.957 29.700 -0.111 0.000 0.984 288 E HN 0.373 nan 8.360 nan 0.000 0.427 289 P HA -0.116 nan 4.420 nan 0.000 0.266 289 P C -0.385 176.925 177.300 0.016 0.000 1.193 289 P CA 0.433 63.495 63.100 -0.063 0.000 0.770 289 P CB 0.106 31.742 31.700 -0.106 0.000 0.836 290 Y N -0.162 120.036 120.300 -0.170 0.000 4.929 290 Y HA -0.317 4.233 4.550 -0.000 0.000 0.253 290 Y C 1.978 177.753 175.900 -0.209 0.000 0.946 290 Y CA 0.656 58.669 58.100 -0.144 0.000 1.905 290 Y CB -2.686 35.709 38.460 -0.108 0.000 1.400 290 Y HN 0.457 nan 8.280 nan 0.000 0.531 291 A N -0.262 122.409 122.820 -0.248 0.000 1.997 291 A HA -0.163 4.157 4.320 -0.000 0.000 0.221 291 A C 1.410 178.649 177.584 -0.575 0.000 1.172 291 A CA 2.163 53.888 52.037 -0.519 0.000 0.645 291 A CB -0.789 17.697 19.000 -0.857 0.000 0.813 291 A HN 0.352 nan 8.150 nan 0.000 0.454 292 F N -1.043 118.832 119.950 -0.125 0.000 2.772 292 F HA 0.393 4.919 4.527 -0.000 0.000 0.302 292 F C 0.661 176.409 175.800 -0.087 0.000 1.136 292 F CA -1.148 56.787 58.000 -0.108 0.000 1.322 292 F CB -0.204 38.705 39.000 -0.151 0.000 0.967 292 F HN -0.032 nan 8.300 nan 0.000 0.513 293 R N 0.876 121.355 120.500 -0.037 0.000 2.585 293 R HA 0.390 4.730 4.340 -0.000 0.000 0.275 293 R C 1.329 177.606 176.300 -0.039 0.000 1.018 293 R CA 0.952 56.968 56.100 -0.140 0.000 1.072 293 R CB -0.114 29.908 30.300 -0.463 0.000 0.953 293 R HN 0.557 nan 8.270 nan 0.000 0.419 294 G N 2.688 111.413 108.800 -0.126 0.000 2.234 294 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 294 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 294 G C -0.448 174.257 174.900 -0.325 0.000 0.997 294 G CA 0.116 45.067 45.100 -0.248 0.000 0.623 294 G HN 0.453 nan 8.290 nan 0.000 0.514 295 L N 2.614 123.709 121.223 -0.214 0.000 2.512 295 L HA 0.424 4.764 4.340 -0.000 0.000 0.247 295 L C 1.338 178.077 176.870 -0.219 0.000 1.204 295 L CA -0.456 54.300 54.840 -0.141 0.000 1.153 295 L CB 0.288 42.350 42.059 0.004 0.000 1.415 295 L HN 0.148 nan 8.230 nan 0.000 0.406 296 N N 0.919 119.330 118.700 -0.481 0.000 2.348 296 N HA -0.196 4.544 4.740 -0.000 0.000 0.185 296 N C 0.370 175.567 175.510 -0.521 0.000 1.019 296 N CA 1.355 54.051 53.050 -0.589 0.000 0.880 296 N CB 0.117 38.040 38.487 -0.940 0.000 0.965 296 N HN 0.473 nan 8.380 nan 0.000 0.437 297 Y N -0.094 120.183 120.300 -0.038 0.000 2.660 297 Y HA 0.308 4.858 4.550 -0.000 0.000 0.254 297 Y C 0.092 175.972 175.900 -0.033 0.000 1.176 297 Y CA -1.002 57.081 58.100 -0.029 0.000 1.195 297 Y CB -0.055 38.383 38.460 -0.036 0.000 1.190 297 Y HN -0.109 nan 8.280 nan 0.000 0.535 298 L N 1.620 122.877 121.223 0.058 0.000 2.500 298 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 298 L C 0.973 177.843 176.870 0.001 0.000 1.149 298 L CA 0.749 55.589 54.840 -0.000 0.000 0.897 298 L CB 0.434 42.458 42.059 -0.058 0.000 1.178 298 L HN 0.226 nan 8.230 nan 0.000 0.473 299 R N 2.751 123.245 120.500 -0.010 0.000 2.167 299 R HA 0.285 4.625 4.340 -0.000 0.000 0.201 299 R C -0.486 175.789 176.300 -0.042 0.000 1.024 299 R CA 0.159 56.247 56.100 -0.019 0.000 1.053 299 R CB 0.539 30.839 30.300 -0.001 0.000 0.987 299 R HN 0.427 nan 8.270 nan 0.000 0.493 300 V N 2.402 122.286 119.914 -0.051 0.000 2.444 300 V HA 0.308 4.428 4.120 -0.000 0.000 0.294 300 V C -1.234 174.814 176.094 -0.076 0.000 1.022 300 V CA -0.819 61.450 62.300 -0.052 0.000 0.850 300 V CB 1.832 33.629 31.823 -0.044 0.000 0.992 300 V HN 0.014 nan 8.190 nan 0.000 0.426 301 L N 5.046 126.253 121.223 -0.026 0.000 2.349 301 L HA 0.673 5.013 4.340 -0.000 0.000 0.278 301 L C -0.572 176.304 176.870 0.011 0.000 0.996 301 L CA -0.071 54.764 54.840 -0.008 0.000 0.825 301 L CB 1.722 43.858 42.059 0.129 0.000 1.243 301 L HN 0.616 nan 8.230 nan 0.000 0.412 302 N N 3.686 122.369 118.700 -0.028 0.000 2.564 302 N HA 0.362 5.102 4.740 -0.000 0.000 0.248 302 N C -0.355 175.131 175.510 -0.041 0.000 0.986 302 N CA -0.336 52.697 53.050 -0.028 0.000 0.921 302 N CB 1.395 39.855 38.487 -0.044 0.000 1.136 302 N HN 0.415 nan 8.380 nan 0.000 0.509 303 V N 1.054 120.956 119.914 -0.020 0.000 2.940 303 V HA 0.375 4.495 4.120 -0.000 0.000 0.366 303 V C 0.738 176.796 176.094 -0.060 0.000 1.353 303 V CA -0.791 61.489 62.300 -0.034 0.000 1.232 303 V CB -0.254 31.579 31.823 0.018 0.000 1.278 303 V HN 0.488 nan 8.190 nan 0.000 0.546 304 S N 1.919 117.575 115.700 -0.072 0.000 2.549 304 S HA 0.455 4.925 4.470 -0.000 0.000 0.286 304 S C 1.315 175.866 174.600 -0.082 0.000 1.314 304 S CA 1.212 59.368 58.200 -0.073 0.000 1.062 304 S CB 0.085 63.251 63.200 -0.056 0.000 0.865 304 S HN 2.367 nan 8.310 nan 0.000 0.498 305 G N 4.117 112.882 108.800 -0.058 0.000 2.248 305 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.263 305 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.263 305 G C -0.098 174.772 174.900 -0.050 0.000 1.082 305 G CA -0.016 45.059 45.100 -0.042 0.000 0.863 305 G HN 0.725 nan 8.290 nan 0.000 0.495 306 N N -1.024 117.648 118.700 -0.046 0.000 3.100 306 N HA 0.432 5.172 4.740 -0.000 0.000 0.344 306 N C 0.551 176.047 175.510 -0.023 0.000 1.413 306 N CA -0.655 52.371 53.050 -0.040 0.000 0.752 306 N CB 0.696 39.157 38.487 -0.044 0.000 1.519 306 N HN 0.268 nan 8.380 nan 0.000 0.620 307 Q N 0.633 120.423 119.800 -0.017 0.000 2.206 307 Q HA 0.387 4.726 4.340 -0.000 0.000 0.265 307 Q C -0.472 175.526 176.000 -0.004 0.000 0.866 307 Q CA -0.147 55.650 55.803 -0.009 0.000 1.073 307 Q CB 0.326 29.061 28.738 -0.005 0.000 1.165 307 Q HN 0.280 nan 8.270 nan 0.000 0.465 308 L N 1.137 122.357 121.223 -0.004 0.000 2.410 308 L HA 0.074 4.414 4.340 -0.000 0.000 0.273 308 L C 1.519 178.398 176.870 0.014 0.000 1.152 308 L CA 0.281 55.126 54.840 0.008 0.000 0.855 308 L CB 0.774 42.841 42.059 0.014 0.000 1.129 308 L HN 0.296 nan 8.230 nan 0.000 0.463 309 T N -2.799 111.770 114.554 0.025 0.000 3.015 309 T HA 0.119 4.468 4.350 -0.000 0.000 0.250 309 T C 0.620 175.352 174.700 0.054 0.000 1.057 309 T CA 0.482 62.601 62.100 0.031 0.000 1.066 309 T CB 0.270 69.153 68.868 0.025 0.000 0.959 309 T HN 0.696 nan 8.240 nan 0.000 0.488 310 T N -0.169 114.427 114.554 0.071 0.000 2.816 310 T HA 0.699 5.048 4.350 -0.000 0.000 0.299 310 T C -1.732 173.053 174.700 0.142 0.000 1.230 310 T CA -0.948 61.221 62.100 0.115 0.000 1.007 310 T CB 1.836 70.787 68.868 0.139 0.000 1.289 310 T HN 0.119 nan 8.240 nan 0.000 0.508 311 L N 1.409 122.767 121.223 0.225 0.000 2.388 311 L HA 0.452 4.792 4.340 -0.000 0.000 0.267 311 L C -0.149 177.034 176.870 0.521 0.000 0.995 311 L CA -0.334 54.704 54.840 0.331 0.000 0.864 311 L CB 1.089 43.381 42.059 0.388 0.000 1.216 311 L HN 0.708 nan 8.230 nan 0.000 0.430 312 E N 2.841 123.238 120.200 0.330 0.000 2.392 312 E HA -0.057 4.293 4.350 -0.000 0.000 0.264 312 E C 0.388 177.077 176.600 0.150 0.000 1.024 312 E CA 0.093 56.652 56.400 0.264 0.000 0.903 312 E CB 1.153 30.914 29.700 0.100 0.000 0.963 312 E HN 0.631 nan 8.360 nan 0.000 0.432 313 E N 1.745 121.798 120.200 -0.246 0.000 2.204 313 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 313 E C 1.560 177.990 176.600 -0.283 0.000 0.990 313 E CA 1.316 57.191 56.400 -0.874 0.000 0.821 313 E CB 0.157 29.175 29.700 -1.138 0.000 0.750 313 E HN 0.488 nan 8.360 nan 0.000 0.477 314 S N -0.064 115.557 115.700 -0.132 0.000 2.555 314 S HA -0.100 4.369 4.470 -0.000 0.000 0.230 314 S C 2.045 176.662 174.600 0.028 0.000 0.978 314 S CA 0.768 58.951 58.200 -0.029 0.000 0.934 314 S CB -0.126 63.057 63.200 -0.029 0.000 0.766 314 S HN 0.313 nan 8.310 nan 0.000 0.533 315 V N -1.783 118.098 119.914 -0.056 0.000 2.759 315 V HA 0.251 4.371 4.120 -0.000 0.000 0.256 315 V C 0.438 176.392 176.094 -0.233 0.000 1.080 315 V CA 0.322 62.499 62.300 -0.205 0.000 1.101 315 V CB -1.204 30.404 31.823 -0.359 0.000 0.698 315 V HN 0.336 nan 8.190 nan 0.000 0.477 316 F N 0.389 120.388 119.950 0.081 0.000 2.385 316 F HA 0.517 5.044 4.527 -0.000 0.000 0.336 316 F C 1.449 177.253 175.800 0.007 0.000 1.100 316 F CA -0.074 57.983 58.000 0.094 0.000 1.116 316 F CB 1.047 40.043 39.000 -0.006 0.000 1.166 316 F HN 0.005 nan 8.300 nan 0.000 0.511 317 H N 0.645 119.783 119.070 0.114 0.000 2.284 317 H HA 0.092 4.648 4.556 -0.000 0.000 0.304 317 H C 0.163 175.479 175.328 -0.020 0.000 1.069 317 H CA 1.596 57.624 56.048 -0.034 0.000 1.327 317 H CB 0.351 30.058 29.762 -0.091 0.000 1.387 317 H HN 0.422 nan 8.280 nan 0.000 0.498 318 S N 0.585 116.379 115.700 0.157 0.000 2.622 318 S HA 0.195 4.664 4.470 -0.000 0.000 0.283 318 S C 0.956 175.559 174.600 0.005 0.000 1.197 318 S CA -0.409 57.821 58.200 0.049 0.000 1.146 318 S CB 1.558 64.789 63.200 0.051 0.000 1.007 318 S HN 0.277 nan 8.310 nan 0.000 0.478 319 V N 2.341 122.220 119.914 -0.058 0.000 2.626 319 V HA -0.044 4.076 4.120 -0.000 0.000 0.252 319 V C 2.440 178.471 176.094 -0.104 0.000 1.067 319 V CA 1.940 64.146 62.300 -0.157 0.000 1.081 319 V CB -1.185 30.519 31.823 -0.199 0.000 0.686 319 V HN 0.822 nan 8.190 nan 0.000 0.468 320 G N 0.370 109.133 108.800 -0.060 0.000 2.498 320 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.219 320 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.219 320 G C 1.297 176.179 174.900 -0.031 0.000 1.119 320 G CA 0.699 45.776 45.100 -0.038 0.000 0.766 320 G HN 0.542 nan 8.290 nan 0.000 0.552 321 N N -0.538 118.143 118.700 -0.031 0.000 2.282 321 N HA 0.109 4.849 4.740 -0.000 0.000 0.185 321 N C 0.302 175.791 175.510 -0.034 0.000 1.099 321 N CA -0.359 52.686 53.050 -0.008 0.000 0.878 321 N CB 0.372 38.877 38.487 0.029 0.000 0.993 321 N HN 0.191 nan 8.380 nan 0.000 0.481 322 L N 1.771 122.939 121.223 -0.091 0.000 2.499 322 L HA 0.019 4.359 4.340 -0.000 0.000 0.273 322 L C 1.013 177.821 176.870 -0.103 0.000 1.195 322 L CA 0.967 55.722 54.840 -0.141 0.000 0.882 322 L CB 0.406 42.283 42.059 -0.302 0.000 1.133 322 L HN 0.106 nan 8.230 nan 0.000 0.483 323 E N 1.406 121.554 120.200 -0.086 0.000 2.500 323 E HA 0.184 4.534 4.350 -0.000 0.000 0.217 323 E C -0.527 176.017 176.600 -0.093 0.000 0.848 323 E CA 0.167 56.520 56.400 -0.078 0.000 1.217 323 E CB 0.835 30.507 29.700 -0.047 0.000 1.217 323 E HN 0.643 nan 8.360 nan 0.000 0.573 324 T N 1.368 115.876 114.554 -0.076 0.000 3.170 324 T HA 0.399 4.748 4.350 -0.000 0.000 0.315 324 T C -1.576 173.113 174.700 -0.018 0.000 0.967 324 T CA -0.496 61.573 62.100 -0.052 0.000 1.024 324 T CB 1.518 70.372 68.868 -0.022 0.000 1.018 324 T HN -0.090 nan 8.240 nan 0.000 0.449 325 L N 5.263 126.501 121.223 0.024 0.000 2.376 325 L HA 0.685 5.025 4.340 -0.000 0.000 0.275 325 L C -1.489 175.483 176.870 0.171 0.000 0.987 325 L CA -0.730 54.169 54.840 0.097 0.000 0.828 325 L CB 1.013 43.127 42.059 0.092 0.000 1.249 325 L HN 0.518 nan 8.230 nan 0.000 0.409 326 I N 7.206 127.822 120.570 0.077 0.000 2.382 326 I HA 0.268 4.438 4.170 -0.000 0.000 0.285 326 I C 0.282 176.360 176.117 -0.065 0.000 1.007 326 I CA -0.098 61.209 61.300 0.010 0.000 1.142 326 I CB 1.515 39.522 38.000 0.012 0.000 1.289 326 I HN 0.699 nan 8.210 nan 0.000 0.453 327 L N 4.188 125.297 121.223 -0.191 0.000 2.858 327 L HA 0.132 4.471 4.340 -0.000 0.000 0.251 327 L C 0.931 177.675 176.870 -0.211 0.000 1.149 327 L CA -0.242 54.478 54.840 -0.201 0.000 0.955 327 L CB 0.021 41.904 42.059 -0.294 0.000 1.289 327 L HN 0.591 nan 8.230 nan 0.000 0.542 328 D N 0.017 120.289 120.400 -0.213 0.000 2.419 328 D HA -0.100 4.540 4.640 -0.000 0.000 0.236 328 D C 0.282 176.523 176.300 -0.099 0.000 1.165 328 D CA 0.502 54.402 54.000 -0.168 0.000 0.882 328 D CB 1.127 41.844 40.800 -0.138 0.000 1.201 328 D HN 0.043 nan 8.370 nan 0.000 0.443 329 S N 0.494 116.149 115.700 -0.074 0.000 3.698 329 S HA -0.162 4.308 4.470 -0.000 0.000 0.338 329 S C -0.651 173.924 174.600 -0.042 0.000 1.089 329 S CA 0.195 58.369 58.200 -0.043 0.000 0.991 329 S CB -1.805 61.380 63.200 -0.026 0.000 0.909 329 S HN 0.697 nan 8.310 nan 0.000 0.485 330 N N 1.182 119.852 118.700 -0.051 0.000 2.258 330 N HA 0.349 5.089 4.740 -0.000 0.000 0.299 330 N C -2.980 172.515 175.510 -0.025 0.000 1.047 330 N CA -1.498 51.529 53.050 -0.038 0.000 0.814 330 N CB 2.115 40.574 38.487 -0.047 0.000 1.413 330 N HN -0.028 nan 8.380 nan 0.000 0.478 331 P HA 0.147 nan 4.420 nan 0.000 0.230 331 P C -0.143 177.159 177.300 0.003 0.000 1.791 331 P CA -0.023 63.075 63.100 -0.005 0.000 1.020 331 P CB -0.189 31.509 31.700 -0.002 0.000 1.977 332 L N 1.173 122.401 121.223 0.009 0.000 2.453 332 L HA 0.286 4.625 4.340 -0.000 0.000 0.272 332 L C 1.075 177.958 176.870 0.022 0.000 1.182 332 L CA -0.564 54.294 54.840 0.031 0.000 0.858 332 L CB 0.409 42.507 42.059 0.064 0.000 1.120 332 L HN 0.171 nan 8.230 nan 0.000 0.474 333 A N 3.088 125.922 122.820 0.024 0.000 2.310 333 A HA 0.260 4.580 4.320 -0.000 0.000 0.300 333 A C 0.083 177.652 177.584 -0.025 0.000 1.269 333 A CA -0.460 51.575 52.037 -0.005 0.000 0.909 333 A CB 0.018 19.025 19.000 0.012 0.000 1.144 333 A HN 0.869 nan 8.150 nan 0.000 0.540 334 c N 4.087 122.596 118.600 -0.152 0.000 2.861 334 c HA 0.304 4.873 4.570 -0.000 0.000 0.542 334 c C 0.657 174.484 174.090 -0.439 0.000 1.074 334 c CA -0.541 55.543 56.329 -0.408 0.000 1.232 334 c CB -2.418 39.593 42.510 -0.831 0.000 1.433 334 c HN 0.925 nan 8.230 nan 0.000 0.606 335 D N -0.367 119.977 120.400 -0.094 0.000 2.624 335 D HA 0.188 4.828 4.640 -0.000 0.000 0.257 335 D C 1.324 177.718 176.300 0.156 0.000 1.167 335 D CA -0.671 53.331 54.000 0.002 0.000 1.086 335 D CB -0.148 40.666 40.800 0.023 0.000 1.210 335 D HN 0.296 nan 8.370 nan 0.000 0.631 336 c N -1.450 117.232 118.600 0.136 0.000 2.500 336 c HA 0.257 4.827 4.570 -0.000 0.000 0.273 336 c C 2.173 176.378 174.090 0.193 0.000 1.428 336 c CA -0.205 56.221 56.329 0.163 0.000 1.766 336 c CB -1.264 41.316 42.510 0.116 0.000 1.817 336 c HN 0.461 nan 8.230 nan 0.000 0.543 337 R N 0.432 121.048 120.500 0.193 0.000 2.193 337 R HA 0.129 4.469 4.340 -0.000 0.000 0.229 337 R C 1.619 178.134 176.300 0.357 0.000 1.110 337 R CA 1.041 57.290 56.100 0.249 0.000 0.988 337 R CB -0.183 30.233 30.300 0.193 0.000 0.871 337 R HN 0.567 nan 8.270 nan 0.000 0.458 338 L N 0.276 121.657 121.223 0.263 0.000 2.728 338 L HA 0.069 4.409 4.340 -0.000 0.000 0.238 338 L C 1.394 178.220 176.870 -0.072 0.000 1.143 338 L CA -0.297 54.615 54.840 0.120 0.000 0.937 338 L CB 0.233 42.446 42.059 0.257 0.000 1.225 338 L HN 0.137 nan 8.230 nan 0.000 0.507 339 L N 0.962 122.213 121.223 0.047 0.000 2.079 339 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 339 L C 2.455 179.311 176.870 -0.023 0.000 1.081 339 L CA 1.953 56.751 54.840 -0.071 0.000 0.752 339 L CB -0.576 41.524 42.059 0.068 0.000 0.896 339 L HN 0.481 nan 8.230 nan 0.000 0.433 340 W N -1.332 119.974 121.300 0.010 0.000 2.363 340 W HA -0.124 4.536 4.660 -0.000 0.000 0.296 340 W C 1.691 178.205 176.519 -0.008 0.000 1.212 340 W CA 1.361 58.707 57.345 0.002 0.000 1.260 340 W CB -1.429 28.045 29.460 0.023 0.000 1.131 340 W HN 0.030 nan 8.180 nan 0.000 0.530 341 V N 1.503 120.839 119.914 -0.964 0.000 2.283 341 V HA -0.286 3.834 4.120 -0.000 0.000 0.243 341 V C 2.369 178.302 176.094 -0.268 0.000 1.039 341 V CA 2.211 64.029 62.300 -0.803 0.000 1.016 341 V CB -1.469 29.882 31.823 -0.787 0.000 0.650 341 V HN 0.108 nan 8.190 nan 0.000 0.449 342 F N 1.617 121.325 119.950 -0.402 0.000 2.091 342 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 342 F C 2.581 178.136 175.800 -0.407 0.000 1.103 342 F CA 1.768 59.438 58.000 -0.549 0.000 1.228 342 F CB -0.284 37.867 39.000 -1.415 0.000 0.984 342 F HN -0.042 nan 8.300 nan 0.000 0.477 343 R N 0.505 120.794 120.500 -0.352 0.000 2.249 343 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 343 R C 1.423 177.532 176.300 -0.318 0.000 1.121 343 R CA 1.044 56.955 56.100 -0.315 0.000 0.997 343 R CB -0.614 29.636 30.300 -0.083 0.000 0.867 343 R HN 0.404 nan 8.270 nan 0.000 0.465 344 R N -0.431 119.876 120.500 -0.322 0.000 2.586 344 R HA 0.248 4.588 4.340 -0.000 0.000 0.336 344 R C 1.395 177.414 176.300 -0.468 0.000 1.060 344 R CA -0.274 55.645 56.100 -0.300 0.000 1.079 344 R CB 0.347 30.526 30.300 -0.202 0.000 1.317 344 R HN 0.027 nan 8.270 nan 0.000 0.568 345 R N 0.171 120.309 120.500 -0.603 0.000 2.159 345 R HA -0.219 4.121 4.340 -0.000 0.000 0.249 345 R C 0.567 176.392 176.300 -0.791 0.000 1.136 345 R CA 2.262 57.913 56.100 -0.748 0.000 0.951 345 R CB -0.095 29.390 30.300 -1.359 0.000 0.876 345 R HN 0.401 nan 8.270 nan 0.000 0.440 346 W N -0.863 120.278 121.300 -0.266 0.000 3.353 346 W HA 0.177 4.837 4.660 -0.000 0.000 0.304 346 W C 0.806 177.179 176.519 -0.244 0.000 1.273 346 W CA -0.551 56.666 57.345 -0.214 0.000 1.773 346 W CB 0.461 29.840 29.460 -0.136 0.000 1.095 346 W HN -0.084 nan 8.180 nan 0.000 0.676 347 R N 0.463 120.846 120.500 -0.194 0.000 2.642 347 R HA 0.276 4.616 4.340 -0.000 0.000 0.435 347 R C 0.329 176.458 176.300 -0.287 0.000 1.046 347 R CA -0.071 55.925 56.100 -0.174 0.000 1.103 347 R CB 0.004 30.238 30.300 -0.110 0.000 1.425 347 R HN 0.240 nan 8.270 nan 0.000 0.586 348 L N -0.091 120.831 121.223 -0.502 0.000 3.333 348 L HA 0.259 4.598 4.340 -0.000 0.000 0.299 348 L C -0.398 176.216 176.870 -0.428 0.000 1.256 348 L CA -0.173 54.346 54.840 -0.534 0.000 1.037 348 L CB 0.325 41.926 42.059 -0.764 0.000 1.423 348 L HN 0.229 nan 8.230 nan 0.000 0.605 349 N N -0.539 117.986 118.700 -0.291 0.000 2.721 349 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 349 N C 0.749 176.269 175.510 0.017 0.000 1.072 349 N CA 0.427 53.415 53.050 -0.104 0.000 0.710 349 N CB -0.743 37.717 38.487 -0.045 0.000 0.993 349 N HN 0.196 nan 8.380 nan 0.000 0.547 350 F N 0.282 120.208 119.950 -0.040 0.000 2.065 350 F HA -0.224 4.302 4.527 -0.000 0.000 0.298 350 F C 2.116 177.909 175.800 -0.011 0.000 1.112 350 F CA 1.581 59.549 58.000 -0.055 0.000 1.212 350 F CB -0.749 38.199 39.000 -0.087 0.000 0.975 350 F HN 0.217 nan 8.300 nan 0.000 0.476 351 N N -0.427 118.409 118.700 0.226 0.000 1.742 351 N HA -0.340 4.400 4.740 -0.000 0.000 0.162 351 N C 1.163 176.759 175.510 0.144 0.000 0.678 351 N CA 1.953 55.094 53.050 0.151 0.000 1.210 351 N CB -1.118 37.428 38.487 0.098 0.000 1.358 351 N HN 0.219 nan 8.380 nan 0.000 0.440 352 R N 0.827 121.385 120.500 0.097 0.000 2.334 352 R HA 0.157 4.496 4.340 -0.000 0.000 0.216 352 R C 0.090 176.416 176.300 0.044 0.000 0.905 352 R CA 0.220 56.363 56.100 0.071 0.000 1.064 352 R CB 0.147 30.480 30.300 0.056 0.000 1.046 352 R HN 0.322 nan 8.270 nan 0.000 0.508 353 Q N 1.192 121.017 119.800 0.040 0.000 2.735 353 Q HA 0.120 4.460 4.340 -0.000 0.000 0.380 353 Q C -0.691 175.234 176.000 -0.124 0.000 1.060 353 Q CA 0.027 55.818 55.803 -0.020 0.000 1.025 353 Q CB 0.603 29.338 28.738 -0.005 0.000 1.350 353 Q HN -0.040 nan 8.270 nan 0.000 0.424 354 Q N 2.042 121.772 119.800 -0.116 0.000 2.286 354 Q HA 0.064 4.404 4.340 -0.000 0.000 0.290 354 Q C -2.066 173.696 176.000 -0.397 0.000 1.049 354 Q CA -1.249 54.405 55.803 -0.249 0.000 0.923 354 Q CB 0.025 28.731 28.738 -0.054 0.000 1.183 354 Q HN 0.291 nan 8.270 nan 0.000 0.383 355 P HA 0.068 nan 4.420 nan 0.000 0.269 355 P C -0.717 176.404 177.300 -0.298 0.000 1.215 355 P CA -0.042 62.610 63.100 -0.747 0.000 0.780 355 P CB 0.702 31.480 31.700 -1.537 0.000 0.898 356 T N 1.703 116.195 114.554 -0.103 0.000 2.937 356 T HA 0.233 4.583 4.350 -0.000 0.000 0.297 356 T C -0.380 174.376 174.700 0.093 0.000 0.991 356 T CA -0.239 61.901 62.100 0.066 0.000 0.990 356 T CB 0.259 69.129 68.868 0.003 0.000 0.991 356 T HN 0.369 nan 8.240 nan 0.000 0.440 357 c N 2.641 121.331 118.600 0.151 0.000 2.634 357 c HA 0.476 5.046 4.570 -0.000 0.000 0.418 357 c C 1.949 176.035 174.090 -0.006 0.000 1.373 357 c CA -0.209 56.151 56.329 0.052 0.000 1.756 357 c CB -0.650 41.846 42.510 -0.023 0.000 2.589 357 c HN 1.088 nan 8.230 nan 0.000 0.602 358 A N 2.613 125.423 122.820 -0.015 0.000 2.085 358 A HA 0.338 4.657 4.320 -0.000 0.000 0.208 358 A C 0.927 178.492 177.584 -0.031 0.000 1.191 358 A CA 0.885 52.909 52.037 -0.021 0.000 0.799 358 A CB -0.015 18.980 19.000 -0.010 0.000 0.877 358 A HN 0.894 nan 8.150 nan 0.000 0.473 359 T N -3.108 111.420 114.554 -0.043 0.000 2.841 359 T HA 0.614 4.964 4.350 -0.000 0.000 0.296 359 T C -3.410 171.233 174.700 -0.093 0.000 1.166 359 T CA -2.099 59.974 62.100 -0.043 0.000 1.007 359 T CB 1.989 70.848 68.868 -0.015 0.000 1.253 359 T HN -0.042 nan 8.240 nan 0.000 0.511 360 P HA 0.165 nan 4.420 nan 0.000 0.272 360 P C 0.780 178.111 177.300 0.051 0.000 1.230 360 P CA -0.171 62.949 63.100 0.034 0.000 0.788 360 P CB 0.806 32.582 31.700 0.127 0.000 0.949 361 E N 1.261 121.517 120.200 0.093 0.000 2.169 361 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 361 E C 1.320 177.984 176.600 0.106 0.000 1.016 361 E CA 1.395 57.843 56.400 0.080 0.000 0.817 361 E CB -0.453 29.295 29.700 0.080 0.000 0.736 361 E HN 0.547 nan 8.360 nan 0.000 0.462 362 F N -0.237 119.696 119.950 -0.029 0.000 2.811 362 F HA 0.092 4.618 4.527 -0.000 0.000 0.301 362 F C 1.204 176.974 175.800 -0.051 0.000 1.151 362 F CA 0.401 58.386 58.000 -0.025 0.000 1.412 362 F CB 0.018 39.018 39.000 -0.001 0.000 1.113 362 F HN -0.047 nan 8.300 nan 0.000 0.579 363 V N -2.159 117.417 119.914 -0.563 0.000 3.276 363 V HA 0.205 4.325 4.120 -0.000 0.000 0.319 363 V C 0.766 176.683 176.094 -0.294 0.000 1.427 363 V CA -0.400 61.550 62.300 -0.583 0.000 1.102 363 V CB -0.842 30.530 31.823 -0.752 0.000 1.020 363 V HN 0.315 nan 8.190 nan 0.000 0.456 364 Q N 2.034 121.732 119.800 -0.170 0.000 2.320 364 Q HA 0.217 4.557 4.340 -0.000 0.000 0.311 364 Q C 1.359 177.304 176.000 -0.092 0.000 1.083 364 Q CA 1.903 57.649 55.803 -0.095 0.000 1.001 364 Q CB 0.435 29.144 28.738 -0.047 0.000 1.074 364 Q HN 1.172 nan 8.270 nan 0.000 0.379 365 G N 4.051 112.812 108.800 -0.065 0.000 2.234 365 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.235 365 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.235 365 G C 0.204 175.073 174.900 -0.053 0.000 0.997 365 G CA 0.306 45.377 45.100 -0.049 0.000 0.623 365 G HN 0.581 nan 8.290 nan 0.000 0.514 366 K N 1.852 122.191 120.400 -0.103 0.000 2.412 366 K HA 0.327 4.646 4.320 -0.000 0.000 0.284 366 K C 0.494 177.141 176.600 0.077 0.000 1.046 366 K CA 0.016 56.221 56.287 -0.138 0.000 0.999 366 K CB 0.175 32.408 32.500 -0.445 0.000 0.941 366 K HN 0.491 nan 8.250 nan 0.000 0.474 367 E N 3.208 123.468 120.200 0.101 0.000 2.366 367 E HA -0.008 4.341 4.350 -0.000 0.000 0.266 367 E C 0.521 177.399 176.600 0.463 0.000 1.051 367 E CA -0.195 56.346 56.400 0.236 0.000 0.884 367 E CB 0.514 30.297 29.700 0.137 0.000 1.006 367 E HN 0.583 nan 8.360 nan 0.000 0.417 368 F N 1.697 121.769 119.950 0.204 0.000 2.126 368 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 368 F C 2.469 178.465 175.800 0.327 0.000 1.096 368 F CA 1.269 59.453 58.000 0.308 0.000 1.255 368 F CB -0.038 38.977 39.000 0.026 0.000 0.997 368 F HN 0.480 nan 8.300 nan 0.000 0.479 369 K N -0.353 120.259 120.400 0.354 0.000 2.362 369 K HA -0.138 4.182 4.320 -0.000 0.000 0.200 369 K C 0.671 177.488 176.600 0.362 0.000 1.046 369 K CA 1.628 58.102 56.287 0.311 0.000 0.952 369 K CB -0.243 32.485 32.500 0.380 0.000 0.753 369 K HN 0.174 nan 8.250 nan 0.000 0.466 370 D N 0.186 120.758 120.400 0.287 0.000 2.340 370 D HA 0.079 4.719 4.640 -0.000 0.000 0.220 370 D C -0.516 175.814 176.300 0.050 0.000 1.039 370 D CA 0.211 54.288 54.000 0.130 0.000 0.866 370 D CB 0.031 40.828 40.800 -0.006 0.000 0.913 370 D HN 0.109 nan 8.370 nan 0.000 0.523 371 F N 2.102 122.147 119.950 0.158 0.000 2.384 371 F HA 0.252 4.779 4.527 -0.000 0.000 0.338 371 F C -1.432 174.543 175.800 0.291 0.000 1.103 371 F CA -2.047 56.056 58.000 0.172 0.000 1.157 371 F CB 0.717 39.814 39.000 0.161 0.000 1.167 371 F HN -0.193 nan 8.300 nan 0.000 0.529 372 P HA 0.006 nan 4.420 nan 0.000 0.272 372 P C -0.131 177.441 177.300 0.452 0.000 1.230 372 P CA -0.047 63.278 63.100 0.375 0.000 0.788 372 P CB 1.028 32.902 31.700 0.290 0.000 0.949 373 D N 0.689 121.295 120.400 0.344 0.000 2.117 373 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 373 D C 0.216 176.690 176.300 0.290 0.000 0.982 373 D CA 1.026 55.215 54.000 0.315 0.000 0.828 373 D CB -0.024 40.910 40.800 0.224 0.000 0.967 373 D HN 0.053 nan 8.370 nan 0.000 0.464 374 V N 1.817 121.864 119.914 0.221 0.000 2.498 374 V HA 0.201 4.320 4.120 -0.000 0.000 0.279 374 V C 0.361 176.566 176.094 0.185 0.000 1.048 374 V CA -0.540 61.863 62.300 0.172 0.000 0.967 374 V CB 1.376 33.265 31.823 0.110 0.000 0.988 374 V HN 0.072 nan 8.190 nan 0.000 0.473 375 L N 5.842 127.161 121.223 0.160 0.000 2.305 375 L HA 0.425 4.765 4.340 -0.000 0.000 0.281 375 L C 0.092 176.959 176.870 -0.005 0.000 1.085 375 L CA -0.126 54.802 54.840 0.148 0.000 0.813 375 L CB 0.729 42.873 42.059 0.142 0.000 1.157 375 L HN 0.461 nan 8.230 nan 0.000 0.436 376 L N 3.540 124.620 121.223 -0.239 0.000 2.479 376 L HA 0.401 4.741 4.340 -0.000 0.000 0.249 376 L C -2.035 174.641 176.870 -0.323 0.000 1.178 376 L CA -2.019 52.577 54.840 -0.408 0.000 0.811 376 L CB -0.094 41.523 42.059 -0.737 0.000 1.187 376 L HN 0.342 nan 8.230 nan 0.000 0.480 377 P HA 0.014 nan 4.420 nan 0.000 0.265 377 P C -0.104 177.229 177.300 0.056 0.000 1.193 377 P CA 0.466 63.526 63.100 -0.066 0.000 0.765 377 P CB 0.270 31.928 31.700 -0.070 0.000 0.823 378 N N 0.740 119.520 118.700 0.134 0.000 2.800 378 N HA -0.197 4.543 4.740 -0.000 0.000 0.250 378 N C -1.218 174.536 175.510 0.407 0.000 1.078 378 N CA 0.795 54.004 53.050 0.265 0.000 0.804 378 N CB -1.814 36.865 38.487 0.320 0.000 1.135 378 N HN 0.298 nan 8.380 nan 0.000 0.565 379 Y N 0.362 120.680 120.300 0.031 0.000 2.385 379 Y HA 0.398 4.948 4.550 -0.000 0.000 0.341 379 Y C 0.452 176.271 175.900 -0.136 0.000 0.965 379 Y CA -1.095 56.935 58.100 -0.116 0.000 1.180 379 Y CB -0.360 38.113 38.460 0.020 0.000 1.139 379 Y HN 0.104 nan 8.280 nan 0.000 0.502 380 F N 0.289 120.138 119.950 -0.168 0.000 3.067 380 F HA -0.267 4.260 4.527 -0.000 0.000 0.279 380 F C 0.595 176.350 175.800 -0.077 0.000 0.945 380 F CA 1.007 58.877 58.000 -0.217 0.000 0.948 380 F CB -1.999 36.751 39.000 -0.417 0.000 0.898 380 F HN 0.345 nan 8.300 nan 0.000 0.746 381 T N -3.271 111.328 114.554 0.074 0.000 2.940 381 T HA 0.805 5.155 4.350 -0.000 0.000 0.288 381 T C -0.061 174.673 174.700 0.057 0.000 1.033 381 T CA -0.841 61.304 62.100 0.075 0.000 1.033 381 T CB 2.277 71.186 68.868 0.068 0.000 1.079 381 T HN 0.173 nan 8.240 nan 0.000 0.496 382 c N 0.923 119.555 118.600 0.053 0.000 2.529 382 c HA 0.686 5.256 4.570 -0.000 0.000 0.329 382 c C 0.439 174.547 174.090 0.030 0.000 1.194 382 c CA -0.976 55.378 56.329 0.041 0.000 1.779 382 c CB 1.250 43.786 42.510 0.045 0.000 2.322 382 c HN 1.042 nan 8.230 nan 0.000 0.500 383 R N 1.750 122.263 120.500 0.022 0.000 2.220 383 R HA 0.249 4.588 4.340 -0.000 0.000 0.340 383 R C 0.370 176.676 176.300 0.009 0.000 1.076 383 R CA -0.215 55.893 56.100 0.013 0.000 0.920 383 R CB 0.166 30.471 30.300 0.009 0.000 1.062 383 R HN 0.708 nan 8.270 nan 0.000 0.469 384 R N 2.741 123.246 120.500 0.007 0.000 2.583 384 R HA -0.016 4.324 4.340 -0.000 0.000 0.274 384 R C -0.520 175.776 176.300 -0.007 0.000 0.998 384 R CA 0.310 56.411 56.100 0.002 0.000 1.081 384 R CB 0.508 30.808 30.300 0.000 0.000 0.940 384 R HN 0.697 nan 8.270 nan 0.000 0.413 385 A N 5.071 127.883 122.820 -0.013 0.000 2.520 385 A HA 0.185 4.505 4.320 -0.000 0.000 0.245 385 A C -0.291 177.275 177.584 -0.029 0.000 1.072 385 A CA 0.272 52.296 52.037 -0.023 0.000 0.761 385 A CB 0.319 19.300 19.000 -0.031 0.000 1.004 385 A HN 0.815 nan 8.150 nan 0.000 0.499 386 R N 1.715 122.198 120.500 -0.029 0.000 2.564 386 R HA 0.435 4.774 4.340 -0.000 0.000 0.284 386 R C -1.246 175.033 176.300 -0.036 0.000 1.031 386 R CA -0.571 55.509 56.100 -0.033 0.000 0.904 386 R CB 1.893 32.180 30.300 -0.022 0.000 1.199 386 R HN 0.735 nan 8.270 nan 0.000 0.443 387 I N 3.249 123.789 120.570 -0.049 0.000 2.529 387 I HA 0.100 4.270 4.170 -0.000 0.000 0.284 387 I C 1.645 177.746 176.117 -0.026 0.000 1.082 387 I CA 0.002 61.273 61.300 -0.049 0.000 1.406 387 I CB 0.917 38.869 38.000 -0.080 0.000 1.405 387 I HN 0.520 nan 8.210 nan 0.000 0.548 388 R N 2.455 122.947 120.500 -0.012 0.000 2.082 388 R HA -0.129 4.211 4.340 -0.000 0.000 0.228 388 R C 0.427 176.730 176.300 0.005 0.000 1.140 388 R CA 1.139 57.239 56.100 -0.000 0.000 0.920 388 R CB -0.199 30.106 30.300 0.009 0.000 0.828 388 R HN 0.590 nan 8.270 nan 0.000 0.430 389 D N 0.814 121.222 120.400 0.013 0.000 2.344 389 D HA -0.007 4.633 4.640 -0.000 0.000 0.253 389 D C 0.511 176.820 176.300 0.015 0.000 1.255 389 D CA 0.119 54.133 54.000 0.023 0.000 0.894 389 D CB 0.682 41.508 40.800 0.042 0.000 1.067 389 D HN -0.028 nan 8.370 nan 0.000 0.492 390 R N 2.918 123.426 120.500 0.014 0.000 2.276 390 R HA 0.039 4.379 4.340 -0.000 0.000 0.196 390 R C 0.679 176.992 176.300 0.022 0.000 0.961 390 R CA 0.074 56.179 56.100 0.009 0.000 1.024 390 R CB -0.277 30.026 30.300 0.006 0.000 0.940 390 R HN 0.365 nan 8.270 nan 0.000 0.480 391 K N 1.438 121.859 120.400 0.036 0.000 2.249 391 K HA 0.308 4.628 4.320 -0.000 0.000 0.280 391 K C -0.615 176.026 176.600 0.068 0.000 1.033 391 K CA -0.125 56.194 56.287 0.053 0.000 0.946 391 K CB 0.962 33.496 32.500 0.057 0.000 1.005 391 K HN -0.011 nan 8.250 nan 0.000 0.469 392 A N 4.567 127.440 122.820 0.088 0.000 2.488 392 A HA 0.072 4.392 4.320 -0.000 0.000 0.249 392 A C -0.311 177.366 177.584 0.154 0.000 1.083 392 A CA -0.170 51.934 52.037 0.112 0.000 0.768 392 A CB 0.133 19.243 19.000 0.183 0.000 1.017 392 A HN 0.817 nan 8.150 nan 0.000 0.496 393 Q N 1.165 121.048 119.800 0.138 0.000 2.364 393 Q HA 0.241 4.581 4.340 -0.000 0.000 0.267 393 Q C -0.598 175.563 176.000 0.269 0.000 0.999 393 Q CA 0.456 56.383 55.803 0.207 0.000 0.886 393 Q CB 0.647 29.555 28.738 0.284 0.000 1.243 393 Q HN 0.732 nan 8.270 nan 0.000 0.415 394 Q N 1.663 121.609 119.800 0.244 0.000 3.147 394 Q HA 0.254 4.594 4.340 -0.000 0.000 0.224 394 Q C -1.258 174.707 176.000 -0.059 0.000 0.901 394 Q CA -0.329 55.575 55.803 0.168 0.000 0.729 394 Q CB 1.629 30.462 28.738 0.158 0.000 1.363 394 Q HN 0.593 nan 8.270 nan 0.000 0.467 395 V N -1.021 118.880 119.914 -0.021 0.000 2.481 395 V HA 0.655 4.775 4.120 -0.000 0.000 0.286 395 V C -0.539 175.407 176.094 -0.247 0.000 1.042 395 V CA -0.476 61.751 62.300 -0.122 0.000 0.928 395 V CB 0.518 32.220 31.823 -0.202 0.000 0.986 395 V HN 0.347 nan 8.190 nan 0.000 0.462 396 F N 3.638 123.631 119.950 0.071 0.000 2.411 396 F HA 0.739 5.265 4.527 -0.000 0.000 0.352 396 F C 0.084 175.880 175.800 -0.007 0.000 1.123 396 F CA -0.693 57.346 58.000 0.065 0.000 1.044 396 F CB 1.896 40.901 39.000 0.008 0.000 1.135 396 F HN 0.529 nan 8.300 nan 0.000 0.461 397 V N 3.718 123.712 119.914 0.132 0.000 2.709 397 V HA 0.431 4.551 4.120 -0.000 0.000 0.308 397 V C -0.974 175.157 176.094 0.061 0.000 1.062 397 V CA -0.674 61.651 62.300 0.042 0.000 0.901 397 V CB 2.008 33.823 31.823 -0.013 0.000 1.003 397 V HN 0.604 nan 8.190 nan 0.000 0.425 398 D N 3.717 124.125 120.400 0.014 0.000 2.304 398 D HA 0.238 4.878 4.640 -0.000 0.000 0.247 398 D C 0.045 176.440 176.300 0.158 0.000 1.089 398 D CA -0.076 53.966 54.000 0.070 0.000 0.910 398 D CB 0.939 41.754 40.800 0.024 0.000 1.199 398 D HN 0.611 nan 8.370 nan 0.000 0.426 399 E N 0.194 120.477 120.200 0.137 0.000 2.694 399 E HA 0.219 4.568 4.350 -0.000 0.000 0.250 399 E C 1.052 177.750 176.600 0.163 0.000 0.963 399 E CA 0.534 57.012 56.400 0.130 0.000 0.949 399 E CB 0.140 29.897 29.700 0.095 0.000 0.911 399 E HN 0.729 nan 8.360 nan 0.000 0.500 400 G N 2.892 111.791 108.800 0.164 0.000 2.176 400 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 400 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 400 G C -0.164 174.844 174.900 0.180 0.000 0.979 400 G CA 0.037 45.248 45.100 0.186 0.000 0.641 400 G HN 0.662 nan 8.290 nan 0.000 0.530 401 H N 0.265 119.393 119.070 0.096 0.000 2.481 401 H HA 0.609 5.165 4.556 -0.000 0.000 0.339 401 H C 0.676 175.969 175.328 -0.058 0.000 1.131 401 H CA 0.835 56.903 56.048 0.034 0.000 1.301 401 H CB 1.375 31.143 29.762 0.010 0.000 1.476 401 H HN 0.130 nan 8.280 nan 0.000 0.529 402 T N 2.370 116.898 114.554 -0.044 0.000 2.869 402 T HA 0.469 4.819 4.350 -0.000 0.000 0.295 402 T C -0.758 173.870 174.700 -0.120 0.000 0.987 402 T CA -0.386 61.603 62.100 -0.184 0.000 1.109 402 T CB 0.028 68.719 68.868 -0.296 0.000 0.932 402 T HN 0.300 nan 8.240 nan 0.000 0.518 403 V N 5.003 124.808 119.914 -0.181 0.000 3.147 403 V HA 0.628 4.747 4.120 -0.000 0.000 0.299 403 V C -1.721 174.174 176.094 -0.333 0.000 1.302 403 V CA -0.723 61.438 62.300 -0.230 0.000 1.015 403 V CB 2.455 34.134 31.823 -0.239 0.000 1.086 403 V HN 1.057 nan 8.190 nan 0.000 0.437 404 Q N 3.209 122.785 119.800 -0.374 0.000 2.421 404 Q HA 0.667 5.007 4.340 -0.000 0.000 0.280 404 Q C -2.069 173.628 176.000 -0.504 0.000 1.085 404 Q CA -0.690 54.880 55.803 -0.388 0.000 0.807 404 Q CB 2.573 31.212 28.738 -0.165 0.000 1.405 404 Q HN 0.469 nan 8.270 nan 0.000 0.419 405 F N 0.812 120.593 119.950 -0.282 0.000 2.422 405 F HA 0.515 5.042 4.527 -0.000 0.000 0.333 405 F C 0.230 176.017 175.800 -0.021 0.000 1.095 405 F CA -0.799 57.084 58.000 -0.194 0.000 1.038 405 F CB 1.993 40.748 39.000 -0.408 0.000 1.156 405 F HN 0.481 nan 8.300 nan 0.000 0.483 406 V N -0.194 119.904 119.914 0.306 0.000 2.612 406 V HA 0.693 4.813 4.120 -0.000 0.000 0.301 406 V C -0.722 175.592 176.094 0.366 0.000 1.046 406 V CA -0.950 61.516 62.300 0.277 0.000 0.946 406 V CB 1.383 33.301 31.823 0.158 0.000 1.003 406 V HN 0.907 nan 8.190 nan 0.000 0.459 407 c N 5.131 123.916 118.600 0.310 0.000 3.027 407 c HA 0.544 5.114 4.570 -0.000 0.000 0.350 407 c C -0.090 174.057 174.090 0.096 0.000 1.042 407 c CA -0.457 55.982 56.329 0.184 0.000 1.350 407 c CB -0.039 42.539 42.510 0.113 0.000 1.809 407 c HN 1.083 nan 8.230 nan 0.000 0.513 408 R N 2.930 123.469 120.500 0.064 0.000 2.407 408 R HA 0.798 5.138 4.340 -0.000 0.000 0.303 408 R C -0.232 176.072 176.300 0.007 0.000 0.981 408 R CA -0.074 56.048 56.100 0.037 0.000 0.905 408 R CB 1.726 32.050 30.300 0.040 0.000 1.099 408 R HN 0.731 nan 8.270 nan 0.000 0.459 409 A N 2.509 125.327 122.820 -0.004 0.000 2.435 409 A HA 0.486 4.806 4.320 -0.000 0.000 0.304 409 A C -1.261 176.318 177.584 -0.010 0.000 1.064 409 A CA -0.937 51.090 52.037 -0.018 0.000 0.727 409 A CB 1.444 20.420 19.000 -0.040 0.000 1.284 409 A HN 0.584 nan 8.150 nan 0.000 0.415 410 D N -0.217 120.176 120.400 -0.011 0.000 2.340 410 D HA 0.734 5.374 4.640 -0.000 0.000 0.251 410 D C 0.350 176.645 176.300 -0.008 0.000 1.080 410 D CA 0.878 54.874 54.000 -0.006 0.000 0.971 410 D CB 1.654 42.451 40.800 -0.005 0.000 1.137 410 D HN 1.143 nan 8.370 nan 0.000 0.475 411 G N 0.032 108.830 108.800 -0.003 0.000 2.352 411 G HA2 0.324 4.284 3.960 -0.000 0.000 0.305 411 G HA3 0.324 4.284 3.960 -0.000 0.000 0.305 411 G C -1.991 172.912 174.900 0.005 0.000 1.537 411 G CA -0.848 44.252 45.100 -0.001 0.000 0.959 411 G HN 0.360 nan 8.290 nan 0.000 0.668 412 D N 1.161 121.566 120.400 0.009 0.000 2.505 412 D HA 0.636 5.275 4.640 -0.000 0.000 0.250 412 D C -2.243 174.069 176.300 0.020 0.000 1.164 412 D CA -1.264 52.745 54.000 0.014 0.000 0.870 412 D CB 2.765 43.574 40.800 0.016 0.000 1.160 412 D HN 0.167 nan 8.370 nan 0.000 0.549 413 P HA 0.272 nan 4.420 nan 0.000 0.274 413 P C -2.610 174.696 177.300 0.011 0.000 1.246 413 P CA -1.397 61.714 63.100 0.017 0.000 0.795 413 P CB -0.101 31.611 31.700 0.021 0.000 1.006 414 P HA 0.019 nan 4.420 nan 0.000 0.258 414 P C -2.075 175.227 177.300 0.003 0.000 1.172 414 P CA -0.185 62.919 63.100 0.007 0.000 0.762 414 P CB -1.083 30.623 31.700 0.009 0.000 0.764 415 P HA 0.201 nan 4.420 nan 0.000 0.277 415 P C -0.887 176.405 177.300 -0.014 0.000 1.240 415 P CA -0.391 62.701 63.100 -0.013 0.000 0.798 415 P CB 0.853 32.539 31.700 -0.023 0.000 0.979 416 A N 3.329 126.136 122.820 -0.022 0.000 2.328 416 A HA 0.490 4.810 4.320 -0.000 0.000 0.284 416 A C 0.221 177.781 177.584 -0.041 0.000 1.160 416 A CA -0.591 51.434 52.037 -0.021 0.000 0.818 416 A CB -0.176 18.810 19.000 -0.024 0.000 1.087 416 A HN 0.387 nan 8.150 nan 0.000 0.504 417 I N 3.618 124.172 120.570 -0.028 0.000 2.315 417 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 417 I C -0.226 175.858 176.117 -0.054 0.000 1.006 417 I CA 0.025 61.283 61.300 -0.071 0.000 1.265 417 I CB 0.395 38.377 38.000 -0.029 0.000 1.387 417 I HN 0.494 nan 8.210 nan 0.000 0.475 418 L N 5.429 126.571 121.223 -0.135 0.000 2.342 418 L HA 0.541 4.881 4.340 -0.000 0.000 0.271 418 L C -1.079 175.686 176.870 -0.174 0.000 1.008 418 L CA -0.624 54.174 54.840 -0.070 0.000 0.818 418 L CB 2.109 44.133 42.059 -0.059 0.000 1.296 418 L HN 0.470 nan 8.230 nan 0.000 0.427 419 W N 2.210 123.508 121.300 -0.004 0.000 2.736 419 W HA 0.662 5.322 4.660 -0.000 0.000 0.335 419 W C -0.890 175.636 176.519 0.012 0.000 1.059 419 W CA -0.274 57.078 57.345 0.011 0.000 1.226 419 W CB 1.659 31.147 29.460 0.047 0.000 1.416 419 W HN 0.156 nan 8.180 nan 0.000 0.505 420 L N 3.155 124.534 121.223 0.259 0.000 2.325 420 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 420 L C 0.742 177.663 176.870 0.085 0.000 1.023 420 L CA -0.757 54.156 54.840 0.122 0.000 0.811 420 L CB 1.533 43.592 42.059 -0.000 0.000 1.249 420 L HN 0.501 nan 8.230 nan 0.000 0.431 421 S N 2.378 118.050 115.700 -0.047 0.000 2.624 421 S HA 0.305 4.775 4.470 -0.000 0.000 0.263 421 S C -1.718 172.596 174.600 -0.478 0.000 1.287 421 S CA -1.029 56.954 58.200 -0.363 0.000 0.990 421 S CB 0.818 63.938 63.200 -0.134 0.000 0.950 421 S HN 0.510 nan 8.310 nan 0.000 0.561 422 P HA -0.110 nan 4.420 nan 0.000 0.220 422 P C 0.974 178.125 177.300 -0.250 0.000 1.148 422 P CA 1.050 63.907 63.100 -0.405 0.000 0.803 422 P CB -0.063 31.423 31.700 -0.356 0.000 0.782 423 R N 0.376 120.742 120.500 -0.224 0.000 2.193 423 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 423 R C 0.952 177.019 176.300 -0.388 0.000 1.110 423 R CA 0.814 56.782 56.100 -0.219 0.000 0.988 423 R CB -0.634 29.629 30.300 -0.063 0.000 0.871 423 R HN 0.145 nan 8.270 nan 0.000 0.458 424 K N -1.558 118.651 120.400 -0.319 0.000 3.434 424 K HA -0.153 4.167 4.320 -0.000 0.000 0.303 424 K C -0.926 175.494 176.600 -0.300 0.000 1.351 424 K CA 0.586 56.704 56.287 -0.282 0.000 0.900 424 K CB -1.771 30.582 32.500 -0.244 0.000 1.385 424 K HN 0.465 nan 8.250 nan 0.000 0.477 425 H N -0.219 118.818 119.070 -0.054 0.000 2.488 425 H HA 0.455 5.011 4.556 -0.000 0.000 0.347 425 H C 0.095 175.415 175.328 -0.013 0.000 1.174 425 H CA -1.016 55.012 56.048 -0.032 0.000 1.307 425 H CB 1.076 30.821 29.762 -0.028 0.000 1.517 425 H HN 0.003 nan 8.280 nan 0.000 0.554 426 L N 1.788 123.092 121.223 0.135 0.000 2.421 426 L HA 0.385 4.725 4.340 -0.000 0.000 0.263 426 L C -0.729 176.195 176.870 0.090 0.000 1.122 426 L CA -0.052 54.840 54.840 0.087 0.000 0.804 426 L CB 0.984 43.072 42.059 0.049 0.000 1.150 426 L HN 0.481 nan 8.230 nan 0.000 0.457 436 T N 1.635 116.037 114.554 -0.253 0.000 2.921 436 T HA 0.511 4.861 4.350 -0.000 0.000 0.297 436 T C -0.416 173.970 174.700 -0.524 0.000 1.013 436 T CA -0.559 61.296 62.100 -0.407 0.000 0.990 436 T CB 2.626 71.135 68.868 -0.598 0.000 1.023 436 T HN 0.054 nan 8.240 nan 0.000 0.447 437 V N 3.863 123.558 119.914 -0.366 0.000 2.432 437 V HA 0.472 4.592 4.120 -0.000 0.000 0.275 437 V C -0.528 175.402 176.094 -0.273 0.000 1.043 437 V CA -0.588 61.586 62.300 -0.210 0.000 0.925 437 V CB 0.174 32.023 31.823 0.043 0.000 0.985 437 V HN 0.720 nan 8.190 nan 0.000 0.466 438 F N 5.716 125.697 119.950 0.051 0.000 2.399 438 F HA 0.431 4.958 4.527 -0.000 0.000 0.328 438 F C -1.113 174.721 175.800 0.057 0.000 1.084 438 F CA -2.113 55.910 58.000 0.039 0.000 1.053 438 F CB 0.888 39.900 39.000 0.020 0.000 1.209 438 F HN 0.351 nan 8.300 nan 0.000 0.502 439 P HA -0.180 nan 4.420 nan 0.000 0.218 439 P C 0.916 178.294 177.300 0.131 0.000 1.146 439 P CA 1.419 64.609 63.100 0.150 0.000 0.813 439 P CB 0.008 31.779 31.700 0.119 0.000 0.778 440 D N -1.568 118.921 120.400 0.148 0.000 2.348 440 D HA -0.011 4.628 4.640 -0.000 0.000 0.216 440 D C 1.501 177.881 176.300 0.134 0.000 0.970 440 D CA 1.230 55.295 54.000 0.108 0.000 0.889 440 D CB -0.806 40.035 40.800 0.069 0.000 0.912 440 D HN 0.267 nan 8.370 nan 0.000 0.524 441 G N -0.251 108.666 108.800 0.194 0.000 2.184 441 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.206 441 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.206 441 G C 0.408 175.534 174.900 0.378 0.000 0.995 441 G CA 0.254 45.494 45.100 0.233 0.000 0.651 441 G HN 0.778 nan 8.290 nan 0.000 0.511 442 T N -0.787 113.963 114.554 0.327 0.000 2.909 442 T HA 0.696 5.046 4.350 -0.000 0.000 0.289 442 T C -0.055 174.773 174.700 0.215 0.000 1.005 442 T CA -0.417 61.866 62.100 0.305 0.000 1.084 442 T CB 2.443 71.432 68.868 0.201 0.000 0.975 442 T HN 1.127 nan 8.240 nan 0.000 0.509 443 L N 1.893 123.069 121.223 -0.079 0.000 2.296 443 L HA 0.546 4.886 4.340 -0.000 0.000 0.286 443 L C -0.082 176.628 176.870 -0.266 0.000 1.023 443 L CA -0.355 54.228 54.840 -0.428 0.000 0.812 443 L CB 1.177 42.452 42.059 -1.306 0.000 1.223 443 L HN 0.870 nan 8.230 nan 0.000 0.421 444 E N 3.946 124.028 120.200 -0.196 0.000 2.166 444 E HA 0.412 4.762 4.350 -0.000 0.000 0.275 444 E C -1.518 174.956 176.600 -0.209 0.000 0.941 444 E CA -0.736 55.584 56.400 -0.133 0.000 0.784 444 E CB 1.701 31.461 29.700 0.101 0.000 1.115 444 E HN 0.524 nan 8.360 nan 0.000 0.399 445 V N 6.706 126.480 119.914 -0.233 0.000 2.277 445 V HA 0.202 4.322 4.120 -0.000 0.000 0.269 445 V C 1.224 177.205 176.094 -0.187 0.000 1.036 445 V CA -0.401 61.782 62.300 -0.195 0.000 0.821 445 V CB 0.765 32.455 31.823 -0.222 0.000 1.052 445 V HN 0.745 nan 8.190 nan 0.000 0.462 446 R N 3.049 123.445 120.500 -0.173 0.000 2.103 446 R HA -0.102 4.237 4.340 -0.000 0.000 0.234 446 R C -0.397 175.541 176.300 -0.604 0.000 1.132 446 R CA 1.761 57.659 56.100 -0.336 0.000 0.925 446 R CB -0.063 30.134 30.300 -0.172 0.000 0.842 446 R HN 0.596 nan 8.270 nan 0.000 0.430 447 Y N -0.939 119.348 120.300 -0.023 0.000 2.346 447 Y HA 0.459 5.009 4.550 -0.000 0.000 0.332 447 Y C -0.506 175.392 175.900 -0.003 0.000 0.985 447 Y CA -1.139 56.953 58.100 -0.015 0.000 1.112 447 Y CB 1.811 40.260 38.460 -0.018 0.000 1.170 447 Y HN 0.103 nan 8.280 nan 0.000 0.447 448 A N 3.515 126.408 122.820 0.122 0.000 2.409 448 A HA 0.535 4.855 4.320 -0.000 0.000 0.267 448 A C -0.253 177.389 177.584 0.097 0.000 1.127 448 A CA -0.319 51.766 52.037 0.080 0.000 0.795 448 A CB 0.319 19.350 19.000 0.053 0.000 1.061 448 A HN 0.800 nan 8.150 nan 0.000 0.502 449 Q N 1.016 120.867 119.800 0.086 0.000 2.286 449 Q HA 0.502 4.842 4.340 -0.000 0.000 0.250 449 Q C 0.977 177.023 176.000 0.076 0.000 1.021 449 Q CA -0.598 55.251 55.803 0.077 0.000 0.930 449 Q CB 1.254 30.032 28.738 0.068 0.000 1.266 449 Q HN 0.387 nan 8.270 nan 0.000 0.491 450 V N 0.594 120.549 119.914 0.067 0.000 2.788 450 V HA -0.184 3.936 4.120 -0.000 0.000 0.251 450 V C 1.789 177.921 176.094 0.063 0.000 1.068 450 V CA 1.737 64.076 62.300 0.066 0.000 1.090 450 V CB -0.614 31.242 31.823 0.057 0.000 0.710 450 V HN 0.780 nan 8.190 nan 0.000 0.467 451 Q N -0.238 119.597 119.800 0.058 0.000 2.500 451 Q HA -0.162 4.178 4.340 -0.000 0.000 0.213 451 Q C 0.899 176.942 176.000 0.071 0.000 0.974 451 Q CA 1.502 57.337 55.803 0.053 0.000 0.918 451 Q CB -0.164 28.601 28.738 0.045 0.000 0.980 451 Q HN 0.523 nan 8.270 nan 0.000 0.505 452 D N 0.408 120.868 120.400 0.100 0.000 2.379 452 D HA 0.023 4.662 4.640 -0.000 0.000 0.208 452 D C -0.244 176.184 176.300 0.213 0.000 1.065 452 D CA -0.072 54.030 54.000 0.170 0.000 0.848 452 D CB 0.060 40.955 40.800 0.158 0.000 0.949 452 D HN 0.298 nan 8.370 nan 0.000 0.509 453 N N 0.656 119.434 118.700 0.129 0.000 2.395 453 N HA 0.262 5.002 4.740 -0.000 0.000 0.246 453 N C 0.530 176.094 175.510 0.091 0.000 1.246 453 N CA 1.237 54.353 53.050 0.110 0.000 0.879 453 N CB 0.580 39.110 38.487 0.071 0.000 1.098 453 N HN 0.157 nan 8.380 nan 0.000 0.444 454 G N 0.430 109.280 108.800 0.083 0.000 2.270 454 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.268 454 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.268 454 G C -1.384 173.561 174.900 0.075 0.000 1.312 454 G CA -0.612 44.503 45.100 0.025 0.000 1.050 454 G HN 0.597 nan 8.290 nan 0.000 0.474 455 T N 1.230 115.779 114.554 -0.007 0.000 2.756 455 T HA 0.618 4.968 4.350 -0.000 0.000 0.290 455 T C -0.876 173.743 174.700 -0.135 0.000 0.985 455 T CA 0.113 62.197 62.100 -0.025 0.000 0.955 455 T CB 0.645 69.522 68.868 0.014 0.000 0.930 455 T HN 0.405 nan 8.240 nan 0.000 0.451 456 Y N 2.051 122.232 120.300 -0.199 0.000 2.334 456 Y HA 0.572 5.121 4.550 -0.000 0.000 0.328 456 Y C 0.002 175.882 175.900 -0.033 0.000 1.130 456 Y CA -1.167 56.888 58.100 -0.075 0.000 1.163 456 Y CB 1.141 39.521 38.460 -0.134 0.000 1.207 456 Y HN 0.397 nan 8.280 nan 0.000 0.471 457 L N 3.499 124.808 121.223 0.143 0.000 2.287 457 L HA 0.434 4.774 4.340 -0.000 0.000 0.287 457 L C -0.810 175.880 176.870 -0.300 0.000 1.022 457 L CA -0.485 54.313 54.840 -0.070 0.000 0.814 457 L CB 0.855 42.854 42.059 -0.099 0.000 1.217 457 L HN 0.802 nan 8.230 nan 0.000 0.420 458 c N 6.638 124.808 118.600 -0.716 0.000 2.415 458 c HA 0.597 5.167 4.570 -0.000 0.000 0.369 458 c C 0.059 173.784 174.090 -0.607 0.000 1.279 458 c CA -0.692 54.913 56.329 -1.208 0.000 1.886 458 c CB -1.114 40.602 42.510 -1.322 0.000 2.468 458 c HN 0.696 nan 8.230 nan 0.000 0.553 459 I N 6.253 126.511 120.570 -0.520 0.000 2.410 459 I HA 0.486 4.656 4.170 -0.000 0.000 0.286 459 I C 0.355 176.325 176.117 -0.246 0.000 1.009 459 I CA 0.045 61.169 61.300 -0.293 0.000 1.111 459 I CB 1.384 39.262 38.000 -0.204 0.000 1.262 459 I HN 0.768 nan 8.210 nan 0.000 0.443 460 A N 5.340 128.047 122.820 -0.189 0.000 2.304 460 A HA 0.942 5.262 4.320 -0.000 0.000 0.323 460 A C -0.421 177.108 177.584 -0.092 0.000 1.195 460 A CA -0.414 51.545 52.037 -0.131 0.000 0.826 460 A CB 1.037 19.969 19.000 -0.113 0.000 1.184 460 A HN 0.783 nan 8.150 nan 0.000 0.496 461 A N 3.205 125.983 122.820 -0.070 0.000 2.455 461 A HA 0.794 5.114 4.320 -0.000 0.000 0.300 461 A C -0.721 176.842 177.584 -0.035 0.000 1.040 461 A CA -0.640 51.365 52.037 -0.052 0.000 0.697 461 A CB 1.228 20.194 19.000 -0.056 0.000 1.265 461 A HN 1.326 nan 8.150 nan 0.000 0.407 462 N N 0.214 118.900 118.700 -0.023 0.000 2.902 462 N HA 0.596 5.335 4.740 -0.000 0.000 0.268 462 N C 0.776 176.287 175.510 0.000 0.000 1.450 462 N CA -0.041 53.004 53.050 -0.009 0.000 0.819 462 N CB 0.879 39.364 38.487 -0.002 0.000 1.540 462 N HN 0.761 nan 8.380 nan 0.000 0.545 463 A N -0.108 122.722 122.820 0.016 0.000 1.958 463 A HA -0.048 4.271 4.320 -0.000 0.000 0.221 463 A C 1.895 179.498 177.584 0.030 0.000 1.178 463 A CA 2.475 54.531 52.037 0.031 0.000 0.642 463 A CB -1.733 17.301 19.000 0.057 0.000 0.816 463 A HN 0.881 nan 8.150 nan 0.000 0.453 464 G N -1.737 107.078 108.800 0.025 0.000 2.470 464 G HA2 0.360 4.320 3.960 -0.000 0.000 0.220 464 G HA3 0.360 4.320 3.960 -0.000 0.000 0.220 464 G C 0.905 175.811 174.900 0.011 0.000 1.121 464 G CA 0.995 46.109 45.100 0.023 0.000 0.766 464 G HN 1.727 nan 8.290 nan 0.000 0.553 465 G N -0.753 108.047 108.800 0.001 0.000 2.325 465 G HA2 0.327 4.287 3.960 -0.000 0.000 0.285 465 G HA3 0.327 4.287 3.960 -0.000 0.000 0.285 465 G C -1.202 173.684 174.900 -0.023 0.000 1.303 465 G CA -0.208 44.886 45.100 -0.011 0.000 0.970 465 G HN 0.996 nan 8.290 nan 0.000 0.490 466 N N -0.595 118.085 118.700 -0.033 0.000 2.509 466 N HA 0.729 5.468 4.740 -0.000 0.000 0.280 466 N C -1.502 173.976 175.510 -0.054 0.000 1.306 466 N CA -0.708 52.313 53.050 -0.048 0.000 0.782 466 N CB 2.869 41.322 38.487 -0.057 0.000 1.493 466 N HN 0.679 nan 8.380 nan 0.000 0.498 467 D N -1.489 118.867 120.400 -0.073 0.000 2.661 467 D HA 0.631 5.271 4.640 -0.000 0.000 0.228 467 D C -1.634 174.597 176.300 -0.115 0.000 1.183 467 D CA -0.339 53.613 54.000 -0.080 0.000 0.844 467 D CB 2.149 42.906 40.800 -0.072 0.000 1.555 467 D HN 0.721 nan 8.370 nan 0.000 0.453 468 S N 1.293 116.924 115.700 -0.116 0.000 2.569 468 S HA 0.823 5.293 4.470 -0.000 0.000 0.280 468 S C -0.977 173.535 174.600 -0.146 0.000 1.111 468 S CA -0.957 57.150 58.200 -0.155 0.000 0.887 468 S CB 1.742 64.858 63.200 -0.139 0.000 1.095 468 S HN 0.379 nan 8.310 nan 0.000 0.476 469 M N 1.747 121.230 119.600 -0.195 0.000 2.271 469 M HA 0.476 4.956 4.480 -0.000 0.000 0.285 469 M C -3.072 173.111 176.300 -0.195 0.000 1.059 469 M CA -1.890 53.312 55.300 -0.162 0.000 0.940 469 M CB 1.929 34.440 32.600 -0.148 0.000 1.636 469 M HN 0.441 nan 8.290 nan 0.000 0.460 470 P HA 0.431 nan 4.420 nan 0.000 0.272 470 P C -1.270 175.824 177.300 -0.343 0.000 1.223 470 P CA -0.285 62.663 63.100 -0.255 0.000 0.784 470 P CB 0.736 32.298 31.700 -0.231 0.000 0.923 471 A N 1.933 124.465 122.820 -0.479 0.000 2.427 471 A HA 0.561 4.881 4.320 -0.000 0.000 0.298 471 A C -1.218 175.971 177.584 -0.657 0.000 1.036 471 A CA -0.539 51.154 52.037 -0.574 0.000 0.701 471 A CB 0.942 19.486 19.000 -0.759 0.000 1.250 471 A HN 0.572 nan 8.150 nan 0.000 0.412 472 H N 2.221 121.239 119.070 -0.088 0.000 2.481 472 H HA 0.479 5.035 4.556 -0.000 0.000 0.333 472 H C -1.304 174.024 175.328 0.001 0.000 1.066 472 H CA -0.558 55.442 56.048 -0.080 0.000 1.209 472 H CB 1.991 31.676 29.762 -0.129 0.000 1.445 472 H HN 0.492 nan 8.280 nan 0.000 0.488 473 L N 5.072 126.366 121.223 0.118 0.000 2.280 473 L HA 0.211 4.551 4.340 -0.000 0.000 0.287 473 L C -0.400 176.367 176.870 -0.171 0.000 1.023 473 L CA -0.406 54.487 54.840 0.088 0.000 0.819 473 L CB 0.326 42.518 42.059 0.221 0.000 1.212 473 L HN 0.571 nan 8.230 nan 0.000 0.420 474 H N 5.382 124.426 119.070 -0.043 0.000 2.623 474 H HA 0.366 4.922 4.556 -0.000 0.000 0.299 474 H C -0.834 174.540 175.328 0.077 0.000 1.052 474 H CA -0.674 55.382 56.048 0.013 0.000 1.231 474 H CB 1.377 31.125 29.762 -0.023 0.000 1.389 474 H HN 0.310 nan 8.280 nan 0.000 0.469 475 V N 5.723 125.737 119.914 0.167 0.000 2.350 475 V HA 0.225 4.345 4.120 -0.000 0.000 0.276 475 V C 0.535 176.711 176.094 0.136 0.000 1.028 475 V CA -0.640 61.740 62.300 0.134 0.000 0.860 475 V CB 0.873 32.756 31.823 0.099 0.000 0.990 475 V HN 0.652 nan 8.190 nan 0.000 0.453 476 R N 3.112 123.690 120.500 0.131 0.000 2.368 476 R HA 0.586 4.926 4.340 -0.000 0.000 0.302 476 R C 0.341 176.689 176.300 0.081 0.000 1.002 476 R CA -0.311 55.852 56.100 0.105 0.000 0.929 476 R CB 1.777 32.136 30.300 0.097 0.000 1.073 476 R HN 0.789 nan 8.270 nan 0.000 0.464 477 S N 0.000 115.741 115.700 0.068 0.000 2.498 477 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 477 S CA 0.000 58.235 58.200 0.058 0.000 1.107 477 S CB 0.000 63.230 63.200 0.051 0.000 0.593 477 S HN 0.000 nan 8.310 nan 0.000 0.517