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 2b1g_1_A DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.305 176.300 0.009 0.000 0.893 4 R CA 0.000 56.107 56.100 0.011 0.000 0.921 4 R CB 0.000 30.312 30.300 0.019 0.000 0.687 5 Q N 2.825 122.628 119.800 0.006 0.000 2.364 5 Q HA 0.097 4.484 4.340 0.079 0.000 0.267 5 Q C -0.724 175.276 176.000 0.000 0.000 0.999 5 Q CA 0.419 56.222 55.803 -0.001 0.000 0.886 5 Q CB 0.989 29.724 28.738 -0.004 0.000 1.243 5 Q HN 0.456 nan 8.270 nan 0.000 0.415 6 Q N 1.949 121.744 119.800 -0.008 0.000 2.215 6 Q HA 0.461 4.848 4.340 0.079 0.000 0.256 6 Q C -1.088 174.896 176.000 -0.027 0.000 0.972 6 Q CA -0.826 54.970 55.803 -0.012 0.000 0.889 6 Q CB 1.337 30.067 28.738 -0.013 0.000 1.281 6 Q HN 0.434 nan 8.270 nan 0.000 0.456 7 L N 0.554 121.758 121.223 -0.033 0.000 2.319 7 L HA 0.697 5.084 4.340 0.079 0.000 0.267 7 L C -0.829 175.999 176.870 -0.069 0.000 1.011 7 L CA -0.529 54.281 54.840 -0.050 0.000 0.818 7 L CB 1.882 43.914 42.059 -0.044 0.000 1.316 7 L HN 0.726 nan 8.230 nan 0.000 0.432 8 A N 2.561 125.327 122.820 -0.090 0.000 2.304 8 A HA 0.642 5.009 4.320 0.079 0.000 0.314 8 A C -1.033 176.487 177.584 -0.107 0.000 1.187 8 A CA -0.426 51.543 52.037 -0.113 0.000 0.810 8 A CB 0.626 19.526 19.000 -0.168 0.000 1.183 8 A HN 0.665 nan 8.150 nan 0.000 0.487 9 L N 3.498 124.662 121.223 -0.098 0.000 2.275 9 L HA 0.580 4.968 4.340 0.079 0.000 0.288 9 L C -1.563 175.256 176.870 -0.085 0.000 1.046 9 L CA -0.756 54.029 54.840 -0.093 0.000 0.805 9 L CB 0.962 42.959 42.059 -0.104 0.000 1.193 9 L HN 0.677 nan 8.230 nan 0.000 0.426 10 L N 4.526 125.703 121.223 -0.077 0.000 2.349 10 L HA 0.466 4.853 4.340 0.079 0.000 0.278 10 L C -0.228 176.617 176.870 -0.042 0.000 0.996 10 L CA -0.033 54.773 54.840 -0.057 0.000 0.825 10 L CB 1.811 43.829 42.059 -0.068 0.000 1.243 10 L HN 0.430 nan 8.230 nan 0.000 0.412 11 S N 2.786 118.466 115.700 -0.033 0.000 2.571 11 S HA 0.702 5.219 4.470 0.079 0.000 0.238 11 S C -0.891 173.692 174.600 -0.027 0.000 1.153 11 S CA -0.541 57.636 58.200 -0.037 0.000 1.141 11 S CB 0.747 63.907 63.200 -0.067 0.000 1.133 11 S HN 0.467 nan 8.310 nan 0.000 0.464 12 V N 2.210 122.127 119.914 0.004 0.000 2.769 12 V HA 0.771 4.938 4.120 0.079 0.000 0.312 12 V C 0.720 176.837 176.094 0.038 0.000 1.061 12 V CA -0.532 61.784 62.300 0.026 0.000 0.931 12 V CB 1.571 33.439 31.823 0.076 0.000 1.010 12 V HN 0.549 nan 8.190 nan 0.000 0.433 13 S N 0.726 116.454 115.700 0.047 0.000 2.452 13 S HA 0.121 4.638 4.470 0.079 0.000 0.225 13 S C 0.854 175.500 174.600 0.078 0.000 1.057 13 S CA 0.801 59.056 58.200 0.092 0.000 0.949 13 S CB -0.105 63.175 63.200 0.134 0.000 0.836 13 S HN 0.995 nan 8.310 nan 0.000 0.518 14 E N 2.121 122.359 120.200 0.063 0.000 2.070 14 E HA 0.130 4.528 4.350 0.079 0.000 0.282 14 E C -0.057 176.582 176.600 0.064 0.000 1.104 14 E CA 0.251 56.681 56.400 0.049 0.000 0.876 14 E CB 0.473 30.186 29.700 0.022 0.000 1.055 14 E HN 0.117 nan 8.360 nan 0.000 0.401 15 K N 3.114 123.553 120.400 0.064 0.000 2.504 15 K HA 0.220 4.587 4.320 0.079 0.000 0.199 15 K C -0.021 176.636 176.600 0.095 0.000 1.028 15 K CA 0.063 56.399 56.287 0.082 0.000 1.164 15 K CB 0.337 32.876 32.500 0.064 0.000 0.877 15 K HN 0.485 nan 8.250 nan 0.000 0.508 16 A N 0.635 123.498 122.820 0.072 0.000 2.492 16 A HA 0.390 4.757 4.320 0.079 0.000 0.254 16 A C 1.326 178.991 177.584 0.136 0.000 1.091 16 A CA 0.612 52.682 52.037 0.055 0.000 0.768 16 A CB -0.312 18.678 19.000 -0.017 0.000 1.028 16 A HN 0.539 nan 8.150 nan 0.000 0.498 17 G N 1.497 110.392 108.800 0.159 0.000 2.189 17 G HA2 -0.288 3.720 3.960 0.079 0.000 0.267 17 G HA3 -0.288 3.720 3.960 0.079 0.000 0.267 17 G C 0.747 175.890 174.900 0.406 0.000 0.975 17 G CA 1.160 46.427 45.100 0.278 0.000 0.644 17 G HN 1.704 nan 8.290 nan 0.000 0.537 18 L N 0.233 121.666 121.223 0.350 0.000 1.976 18 L HA 0.135 4.522 4.340 0.079 0.000 0.209 18 L C 2.724 179.637 176.870 0.072 0.000 1.071 18 L CA 2.242 57.189 54.840 0.178 0.000 0.746 18 L CB -2.052 40.094 42.059 0.144 0.000 0.890 18 L HN 0.715 nan 8.230 nan 0.000 0.432 19 V N 0.131 120.086 119.914 0.068 0.000 2.277 19 V HA -0.344 3.823 4.120 0.079 0.000 0.253 19 V C 2.839 178.951 176.094 0.030 0.000 1.067 19 V CA 2.520 64.839 62.300 0.031 0.000 1.047 19 V CB -0.557 31.286 31.823 0.033 0.000 0.649 19 V HN 0.779 nan 8.190 nan 0.000 0.447 20 E N -0.634 119.609 120.200 0.071 0.000 2.058 20 E HA -0.244 4.153 4.350 0.079 0.000 0.194 20 E C 2.069 178.729 176.600 0.100 0.000 0.997 20 E CA 2.164 58.612 56.400 0.081 0.000 0.801 20 E CB -0.488 29.277 29.700 0.107 0.000 0.746 20 E HN 0.713 nan 8.360 nan 0.000 0.450 21 F N 1.136 121.019 119.950 -0.111 0.000 2.186 21 F HA 0.003 4.577 4.527 0.079 0.000 0.299 21 F C 2.194 177.873 175.800 -0.202 0.000 1.090 21 F CA 1.220 59.087 58.000 -0.222 0.000 1.307 21 F CB -0.744 37.908 39.000 -0.579 0.000 1.019 21 F HN 0.044 nan 8.300 nan 0.000 0.489 22 A N 0.660 123.337 122.820 -0.239 0.000 1.940 22 A HA -0.194 4.174 4.320 0.079 0.000 0.219 22 A C 2.434 179.898 177.584 -0.200 0.000 1.176 22 A CA 1.608 53.483 52.037 -0.271 0.000 0.631 22 A CB -0.669 18.241 19.000 -0.150 0.000 0.814 22 A HN 0.407 nan 8.150 nan 0.000 0.446 23 R N -0.293 120.139 120.500 -0.112 0.000 2.070 23 R HA -0.100 4.287 4.340 0.079 0.000 0.233 23 R C 2.596 178.843 176.300 -0.088 0.000 1.137 23 R CA 1.651 57.707 56.100 -0.074 0.000 0.945 23 R CB -0.552 29.732 30.300 -0.028 0.000 0.845 23 R HN 0.536 nan 8.270 nan 0.000 0.430 24 S N 1.419 117.071 115.700 -0.080 0.000 2.368 24 S HA -0.178 4.340 4.470 0.079 0.000 0.226 24 S C 2.040 176.558 174.600 -0.136 0.000 1.044 24 S CA 1.395 59.555 58.200 -0.067 0.000 1.062 24 S CB -0.352 62.858 63.200 0.017 0.000 0.931 24 S HN 0.215 nan 8.310 nan 0.000 0.440 25 L N 1.769 122.828 121.223 -0.273 0.000 2.027 25 L HA -0.136 4.251 4.340 0.079 0.000 0.206 25 L C 2.573 179.339 176.870 -0.174 0.000 1.074 25 L CA 1.289 55.962 54.840 -0.278 0.000 0.745 25 L CB -0.684 41.106 42.059 -0.449 0.000 0.898 25 L HN 0.451 nan 8.230 nan 0.000 0.433 26 N N 0.665 119.270 118.700 -0.158 0.000 2.120 26 N HA -0.193 4.594 4.740 0.079 0.000 0.188 26 N C 1.728 177.193 175.510 -0.075 0.000 1.024 26 N CA 1.367 54.354 53.050 -0.104 0.000 0.852 26 N CB 0.084 38.517 38.487 -0.092 0.000 1.003 26 N HN 0.310 nan 8.380 nan 0.000 0.424 27 A N 0.379 123.157 122.820 -0.070 0.000 2.248 27 A HA -0.008 4.359 4.320 0.079 0.000 0.210 27 A C 1.744 179.303 177.584 -0.043 0.000 1.174 27 A CA 0.430 52.439 52.037 -0.046 0.000 0.750 27 A CB -0.191 18.787 19.000 -0.036 0.000 0.780 27 A HN 0.355 nan 8.150 nan 0.000 0.478 28 L N -2.269 118.920 121.223 -0.057 0.000 2.616 28 L HA 0.371 4.758 4.340 0.079 0.000 0.229 28 L C 1.512 178.356 176.870 -0.043 0.000 1.110 28 L CA 1.345 56.157 54.840 -0.047 0.000 0.884 28 L CB 0.353 42.377 42.059 -0.058 0.000 1.115 28 L HN 0.531 nan 8.230 nan 0.000 0.481 29 G N -0.952 107.819 108.800 -0.048 0.000 2.201 29 G HA2 -0.194 3.813 3.960 0.079 0.000 0.212 29 G HA3 -0.194 3.813 3.960 0.079 0.000 0.212 29 G C 0.216 175.089 174.900 -0.045 0.000 0.994 29 G CA 0.031 45.108 45.100 -0.039 0.000 0.644 29 G HN 0.170 nan 8.290 nan 0.000 0.508 30 L N 1.481 122.666 121.223 -0.062 0.000 2.371 30 L HA 0.613 5.000 4.340 0.079 0.000 0.272 30 L C 1.285 178.113 176.870 -0.070 0.000 1.124 30 L CA -0.232 54.567 54.840 -0.068 0.000 0.816 30 L CB 1.152 43.156 42.059 -0.091 0.000 1.129 30 L HN 0.168 nan 8.230 nan 0.000 0.448 31 G N 3.398 112.163 108.800 -0.058 0.000 2.355 31 G HA2 0.493 4.500 3.960 0.079 0.000 0.276 31 G HA3 0.493 4.500 3.960 0.079 0.000 0.276 31 G C -0.385 174.475 174.900 -0.067 0.000 1.198 31 G CA -0.596 44.472 45.100 -0.053 0.000 0.876 31 G HN 0.403 nan 8.290 nan 0.000 0.478 32 L N 2.796 123.977 121.223 -0.070 0.000 2.305 32 L HA 0.537 4.924 4.340 0.079 0.000 0.281 32 L C 0.124 176.956 176.870 -0.063 0.000 1.085 32 L CA -0.523 54.268 54.840 -0.081 0.000 0.813 32 L CB 0.997 43.004 42.059 -0.087 0.000 1.157 32 L HN 0.468 nan 8.230 nan 0.000 0.436 33 I N 0.975 121.505 120.570 -0.067 0.000 2.582 33 I HA 0.989 5.206 4.170 0.079 0.000 0.292 33 I C -0.400 175.682 176.117 -0.057 0.000 1.066 33 I CA -0.533 60.733 61.300 -0.056 0.000 1.053 33 I CB 2.067 40.034 38.000 -0.055 0.000 1.241 33 I HN 0.657 nan 8.210 nan 0.000 0.421 34 A N 3.210 126.004 122.820 -0.044 0.000 2.493 34 A HA 0.895 5.262 4.320 0.079 0.000 0.300 34 A C -1.243 176.327 177.584 -0.024 0.000 1.152 34 A CA -0.463 51.552 52.037 -0.037 0.000 0.643 34 A CB 1.524 20.505 19.000 -0.033 0.000 1.316 34 A HN 0.800 nan 8.150 nan 0.000 0.469 35 S N -2.238 113.454 115.700 -0.014 0.000 2.667 35 S HA 0.583 5.101 4.470 0.079 0.000 0.292 35 S C 1.309 175.916 174.600 0.011 0.000 1.126 35 S CA 0.745 58.944 58.200 -0.001 0.000 0.881 35 S CB 0.963 64.164 63.200 0.002 0.000 1.132 35 S HN 2.508 nan 8.310 nan 0.000 0.492 36 G N 2.164 110.975 108.800 0.018 0.000 3.376 36 G HA2 -0.408 3.599 3.960 0.079 0.000 0.310 36 G HA3 -0.408 3.599 3.960 0.079 0.000 0.310 36 G C 1.398 176.315 174.900 0.027 0.000 1.137 36 G CA 1.905 47.020 45.100 0.025 0.000 1.061 36 G HN 1.374 nan 8.290 nan 0.000 1.152 37 G N -0.742 108.081 108.800 0.038 0.000 2.552 37 G HA2 -0.109 3.898 3.960 0.079 0.000 0.216 37 G HA3 -0.109 3.898 3.960 0.079 0.000 0.216 37 G C 1.907 176.826 174.900 0.031 0.000 1.240 37 G CA 2.560 47.685 45.100 0.042 0.000 0.796 37 G HN 0.594 nan 8.290 nan 0.000 0.568 38 T N 1.683 116.252 114.554 0.026 0.000 2.777 38 T HA 0.070 4.467 4.350 0.079 0.000 0.266 38 T C 2.778 177.482 174.700 0.007 0.000 1.040 38 T CA 1.642 63.752 62.100 0.017 0.000 1.141 38 T CB -0.425 68.449 68.868 0.009 0.000 0.868 38 T HN 0.391 nan 8.240 nan 0.000 0.444 39 A N 2.024 124.845 122.820 0.002 0.000 1.898 39 A HA -0.093 4.274 4.320 0.079 0.000 0.216 39 A C 2.601 180.184 177.584 -0.001 0.000 1.181 39 A CA 2.045 54.078 52.037 -0.005 0.000 0.620 39 A CB -1.205 17.791 19.000 -0.008 0.000 0.819 39 A HN 0.616 nan 8.150 nan 0.000 0.442 40 T N -2.958 111.599 114.554 0.006 0.000 3.085 40 T HA 0.320 4.717 4.350 0.079 0.000 0.263 40 T C 1.560 176.265 174.700 0.008 0.000 1.127 40 T CA 1.165 63.269 62.100 0.007 0.000 1.103 40 T CB -0.065 68.810 68.868 0.010 0.000 0.921 40 T HN 0.466 nan 8.240 nan 0.000 0.510 41 A N 0.927 123.754 122.820 0.010 0.000 2.095 41 A HA 0.407 4.774 4.320 0.079 0.000 0.212 41 A C 2.179 179.768 177.584 0.008 0.000 1.162 41 A CA 0.143 52.188 52.037 0.013 0.000 0.753 41 A CB -0.315 18.697 19.000 0.020 0.000 0.840 41 A HN 0.415 nan 8.150 nan 0.000 0.468 42 L N -0.121 121.103 121.223 0.002 0.000 2.179 42 L HA 0.018 4.406 4.340 0.079 0.000 0.208 42 L C 2.378 179.243 176.870 -0.007 0.000 1.096 42 L CA 1.372 56.208 54.840 -0.006 0.000 0.779 42 L CB -1.271 40.777 42.059 -0.018 0.000 0.922 42 L HN 0.413 nan 8.230 nan 0.000 0.443 43 R N 0.093 120.589 120.500 -0.006 0.000 2.159 43 R HA -0.164 4.223 4.340 0.079 0.000 0.237 43 R C 1.349 177.648 176.300 -0.003 0.000 1.131 43 R CA 1.216 57.313 56.100 -0.006 0.000 0.982 43 R CB -0.189 30.108 30.300 -0.004 0.000 0.868 43 R HN 0.352 nan 8.270 nan 0.000 0.453 44 D N -0.014 120.387 120.400 0.001 0.000 2.363 44 D HA -0.021 4.666 4.640 0.079 0.000 0.220 44 D C 0.734 177.036 176.300 0.003 0.000 0.994 44 D CA 0.777 54.779 54.000 0.003 0.000 0.890 44 D CB 0.302 41.106 40.800 0.006 0.000 0.906 44 D HN 0.266 nan 8.370 nan 0.000 0.530 45 A N -0.231 122.589 122.820 0.001 0.000 2.594 45 A HA 0.535 4.902 4.320 0.079 0.000 0.287 45 A C 1.251 178.832 177.584 -0.004 0.000 1.227 45 A CA 0.162 52.199 52.037 0.000 0.000 0.952 45 A CB -0.185 18.817 19.000 0.003 0.000 1.161 45 A HN 0.077 nan 8.150 nan 0.000 0.524 46 G N 0.045 108.841 108.800 -0.006 0.000 2.359 46 G HA2 -0.193 3.815 3.960 0.079 0.000 0.298 46 G HA3 -0.193 3.815 3.960 0.079 0.000 0.298 46 G C -0.308 174.584 174.900 -0.013 0.000 1.030 46 G CA 0.565 45.660 45.100 -0.008 0.000 1.149 46 G HN 0.567 nan 8.290 nan 0.000 0.512 47 L N 0.338 121.551 121.223 -0.017 0.000 2.365 47 L HA 0.483 4.871 4.340 0.079 0.000 0.273 47 L C -2.023 174.831 176.870 -0.027 0.000 1.000 47 L CA -2.476 52.349 54.840 -0.025 0.000 0.819 47 L CB 2.417 44.456 42.059 -0.032 0.000 1.284 47 L HN -0.066 nan 8.230 nan 0.000 0.418 48 P HA 0.073 nan 4.420 nan 0.000 0.263 48 P C -1.018 176.261 177.300 -0.035 0.000 1.276 48 P CA 0.230 63.313 63.100 -0.029 0.000 0.986 48 P CB 0.384 32.066 31.700 -0.030 0.000 1.105 49 V N 4.985 124.881 119.914 -0.030 0.000 2.668 49 V HA 0.560 4.727 4.120 0.079 0.000 0.304 49 V C -0.523 175.556 176.094 -0.024 0.000 1.071 49 V CA -0.901 61.379 62.300 -0.033 0.000 0.894 49 V CB 1.913 33.714 31.823 -0.037 0.000 1.008 49 V HN 0.463 nan 8.190 nan 0.000 0.425 50 R N 3.709 124.194 120.500 -0.025 0.000 2.720 50 R HA 0.626 5.013 4.340 0.079 0.000 0.272 50 R C -0.576 175.712 176.300 -0.019 0.000 0.991 50 R CA -0.823 55.266 56.100 -0.018 0.000 1.010 50 R CB 1.538 31.830 30.300 -0.014 0.000 1.141 50 R HN 0.593 nan 8.270 nan 0.000 0.494 51 D N 0.833 121.225 120.400 -0.013 0.000 2.339 51 D HA -0.020 4.667 4.640 0.079 0.000 0.245 51 D C 0.786 177.076 176.300 -0.017 0.000 1.115 51 D CA -0.150 53.843 54.000 -0.012 0.000 0.917 51 D CB 2.059 42.856 40.800 -0.005 0.000 1.192 51 D HN 0.338 nan 8.370 nan 0.000 0.428 52 V N 2.955 122.857 119.914 -0.020 0.000 2.626 52 V HA -0.179 3.988 4.120 0.079 0.000 0.252 52 V C 2.297 178.374 176.094 -0.028 0.000 1.067 52 V CA 2.143 64.425 62.300 -0.030 0.000 1.081 52 V CB -0.048 31.753 31.823 -0.037 0.000 0.686 52 V HN 0.612 nan 8.190 nan 0.000 0.468 53 S N -0.169 115.524 115.700 -0.012 0.000 2.399 53 S HA -0.223 4.294 4.470 0.079 0.000 0.231 53 S C 1.538 176.132 174.600 -0.009 0.000 1.022 53 S CA 1.655 59.854 58.200 -0.002 0.000 0.983 53 S CB -0.488 62.720 63.200 0.012 0.000 0.803 53 S HN 0.779 nan 8.310 nan 0.000 0.480 54 D N 0.151 120.546 120.400 -0.008 0.000 2.400 54 D HA 0.181 4.868 4.640 0.079 0.000 0.243 54 D C 0.793 177.097 176.300 0.007 0.000 1.184 54 D CA 0.168 54.166 54.000 -0.002 0.000 0.853 54 D CB -0.068 40.730 40.800 -0.003 0.000 0.944 54 D HN 0.450 nan 8.370 nan 0.000 0.501 55 L N -1.865 119.359 121.223 0.003 0.000 2.627 55 L HA 0.042 4.430 4.340 0.079 0.000 0.253 55 L C 1.974 178.860 176.870 0.028 0.000 1.042 55 L CA 0.721 55.577 54.840 0.027 0.000 1.110 55 L CB -0.334 41.724 42.059 -0.002 0.000 2.151 55 L HN 0.121 nan 8.230 nan 0.000 0.539 56 T N -3.191 111.312 114.554 -0.086 0.000 2.894 56 T HA 0.156 4.553 4.350 0.079 0.000 0.258 56 T C 1.423 176.036 174.700 -0.145 0.000 1.043 56 T CA 1.053 62.948 62.100 -0.342 0.000 1.141 56 T CB 0.167 68.689 68.868 -0.576 0.000 0.873 56 T HN 0.561 nan 8.240 nan 0.000 0.449 57 G N 0.632 109.405 108.800 -0.046 0.000 2.144 57 G HA2 -0.127 3.880 3.960 0.079 0.000 0.218 57 G HA3 -0.127 3.880 3.960 0.079 0.000 0.218 57 G C -0.155 174.646 174.900 -0.165 0.000 0.988 57 G CA -0.196 44.862 45.100 -0.069 0.000 0.659 57 G HN 0.544 nan 8.290 nan 0.000 0.522 58 F N 1.854 121.734 119.950 -0.116 0.000 2.492 58 F HA 0.625 5.200 4.527 0.079 0.000 0.327 58 F C -1.113 174.662 175.800 -0.041 0.000 1.079 58 F CA -2.050 55.912 58.000 -0.064 0.000 0.967 58 F CB 1.841 40.801 39.000 -0.066 0.000 1.169 58 F HN -0.113 nan 8.300 nan 0.000 0.472 59 P HA -0.012 nan 4.420 nan 0.000 0.280 59 P C -0.234 177.134 177.300 0.114 0.000 1.278 59 P CA -0.004 63.159 63.100 0.104 0.000 0.787 59 P CB 0.677 32.428 31.700 0.084 0.000 1.163 60 E N -0.798 119.448 120.200 0.077 0.000 2.437 60 E HA 0.065 4.462 4.350 0.079 0.000 0.189 60 E C 0.810 177.451 176.600 0.068 0.000 1.054 60 E CA -0.306 56.134 56.400 0.067 0.000 0.874 60 E CB -0.444 29.288 29.700 0.053 0.000 1.011 60 E HN 0.366 nan 8.360 nan 0.000 0.474 61 M N -0.269 119.378 119.600 0.078 0.000 2.034 61 M HA -0.247 4.280 4.480 0.079 0.000 0.344 61 M C -0.201 176.135 176.300 0.061 0.000 0.865 61 M CA 0.596 55.939 55.300 0.072 0.000 0.794 61 M CB 0.259 32.914 32.600 0.092 0.000 1.507 61 M HN 0.028 nan 8.290 nan 0.000 0.459 62 L N 1.437 122.692 121.223 0.054 0.000 4.001 62 L HA -0.169 4.218 4.340 0.079 0.000 0.413 62 L C 0.977 177.877 176.870 0.050 0.000 1.185 62 L CA 1.849 56.719 54.840 0.049 0.000 0.963 62 L CB -3.292 38.797 42.059 0.050 0.000 1.976 62 L HN 1.417 nan 8.230 nan 0.000 0.939 63 G N -0.398 108.431 108.800 0.048 0.000 2.342 63 G HA2 0.179 4.186 3.960 0.079 0.000 0.267 63 G HA3 0.179 4.186 3.960 0.079 0.000 0.267 63 G C 1.287 176.223 174.900 0.060 0.000 0.922 63 G CA 0.844 45.971 45.100 0.047 0.000 1.342 63 G HN 2.160 nan 8.290 nan 0.000 0.430 64 G N 0.258 109.101 108.800 0.070 0.000 2.283 64 G HA2 -0.357 3.650 3.960 0.079 0.000 0.280 64 G HA3 -0.357 3.650 3.960 0.079 0.000 0.280 64 G C 1.249 176.225 174.900 0.126 0.000 1.029 64 G CA 1.219 46.378 45.100 0.098 0.000 0.840 64 G HN 0.938 nan 8.290 nan 0.000 0.505 65 R N -1.547 119.012 120.500 0.098 0.000 2.156 65 R HA 0.234 4.621 4.340 0.079 0.000 0.207 65 R C 0.494 176.844 176.300 0.082 0.000 1.040 65 R CA 0.788 56.951 56.100 0.105 0.000 1.013 65 R CB 0.543 30.892 30.300 0.082 0.000 0.931 65 R HN 0.330 nan 8.270 nan 0.000 0.465 66 V N 1.338 121.288 119.914 0.060 0.000 2.407 66 V HA 0.219 4.386 4.120 0.079 0.000 0.291 66 V C -0.097 176.018 176.094 0.035 0.000 1.018 66 V CA -0.301 62.020 62.300 0.035 0.000 0.842 66 V CB 1.880 33.707 31.823 0.007 0.000 0.996 66 V HN 0.154 nan 8.190 nan 0.000 0.426 67 K N 1.690 122.108 120.400 0.029 0.000 2.606 67 K HA 0.127 4.495 4.320 0.079 0.000 0.199 67 K C 1.244 177.851 176.600 0.012 0.000 1.403 67 K CA 0.790 57.092 56.287 0.024 0.000 1.011 67 K CB 0.806 33.321 32.500 0.026 0.000 1.623 67 K HN 0.707 nan 8.250 nan 0.000 0.512 68 T N -1.069 113.496 114.554 0.019 0.000 3.091 68 T HA 0.345 4.742 4.350 0.079 0.000 0.277 68 T C 0.274 175.041 174.700 0.112 0.000 0.996 68 T CA -0.347 61.766 62.100 0.022 0.000 0.897 68 T CB 0.031 68.884 68.868 -0.025 0.000 1.109 68 T HN -0.099 nan 8.240 nan 0.000 0.534 69 L N 3.131 124.415 121.223 0.100 0.000 2.480 69 L HA 0.422 4.809 4.340 0.079 0.000 0.243 69 L C 0.163 177.081 176.870 0.080 0.000 1.315 69 L CA -0.304 54.597 54.840 0.101 0.000 1.231 69 L CB -0.439 41.625 42.059 0.007 0.000 1.444 69 L HN 0.430 nan 8.230 nan 0.000 0.409 70 H N 0.722 119.817 119.070 0.042 0.000 2.894 70 H HA 0.253 4.856 4.556 0.079 0.000 0.367 70 H C -2.240 173.083 175.328 -0.008 0.000 1.144 70 H CA -1.630 54.394 56.048 -0.041 0.000 1.180 70 H CB 3.066 32.782 29.762 -0.076 0.000 1.758 70 H HN -0.051 nan 8.280 nan 0.000 0.541 71 P HA -0.193 nan 4.420 nan 0.000 0.217 71 P C 1.147 178.213 177.300 -0.390 0.000 1.151 71 P CA 2.419 65.338 63.100 -0.301 0.000 0.849 71 P CB 0.020 31.557 31.700 -0.273 0.000 0.787 72 A N -0.863 121.642 122.820 -0.526 0.000 1.883 72 A HA -0.190 4.178 4.320 0.079 0.000 0.217 72 A C 2.369 179.629 177.584 -0.540 0.000 1.186 72 A CA 2.110 53.469 52.037 -1.131 0.000 0.624 72 A CB -1.652 17.006 19.000 -0.570 0.000 0.822 72 A HN 0.049 nan 8.150 nan 0.000 0.444 73 V N -0.394 119.386 119.914 -0.223 0.000 2.237 73 V HA -0.248 3.920 4.120 0.079 0.000 0.245 73 V C 2.457 178.396 176.094 -0.258 0.000 1.046 73 V CA 2.117 64.284 62.300 -0.223 0.000 1.007 73 V CB -1.046 30.656 31.823 -0.202 0.000 0.638 73 V HN 0.664 nan 8.190 nan 0.000 0.445 74 H N -0.263 118.730 119.070 -0.127 0.000 2.395 74 H HA 0.017 4.620 4.556 0.078 0.000 0.299 74 H C 2.350 177.634 175.328 -0.073 0.000 1.070 74 H CA 1.460 57.456 56.048 -0.087 0.000 1.356 74 H CB -0.159 29.560 29.762 -0.071 0.000 1.401 74 H HN 0.461 nan 8.280 nan 0.000 0.524 75 A N 1.042 123.865 122.820 0.005 0.000 1.883 75 A HA -0.128 4.239 4.320 0.079 0.000 0.217 75 A C 2.819 180.408 177.584 0.008 0.000 1.186 75 A CA 1.615 53.666 52.037 0.023 0.000 0.624 75 A CB -1.243 17.801 19.000 0.074 0.000 0.822 75 A HN 0.458 nan 8.150 nan 0.000 0.444 76 G N 0.123 108.889 108.800 -0.056 0.000 2.469 76 G HA2 -0.260 3.747 3.960 0.079 0.000 0.219 76 G HA3 -0.260 3.747 3.960 0.079 0.000 0.219 76 G C 1.496 176.374 174.900 -0.036 0.000 1.150 76 G CA 1.334 46.410 45.100 -0.040 0.000 0.763 76 G HN 0.522 nan 8.290 nan 0.000 0.561 77 I N -0.206 120.328 120.570 -0.060 0.000 2.353 77 I HA 0.016 4.233 4.170 0.079 0.000 0.248 77 I C 2.439 178.555 176.117 -0.002 0.000 1.119 77 I CA 0.650 61.922 61.300 -0.047 0.000 1.417 77 I CB -0.050 37.896 38.000 -0.090 0.000 1.078 77 I HN 0.105 nan 8.210 nan 0.000 0.421 78 L N 0.296 121.531 121.223 0.020 0.000 2.463 78 L HA 0.270 4.657 4.340 0.079 0.000 0.219 78 L C 1.366 178.254 176.870 0.031 0.000 1.088 78 L CA -0.371 54.492 54.840 0.038 0.000 0.849 78 L CB -0.119 41.976 42.059 0.060 0.000 1.012 78 L HN 0.084 nan 8.230 nan 0.000 0.468 79 A N 1.195 124.034 122.820 0.032 0.000 2.540 79 A HA 0.205 4.572 4.320 0.079 0.000 0.239 79 A C 0.280 177.876 177.584 0.021 0.000 1.061 79 A CA 0.158 52.215 52.037 0.034 0.000 0.758 79 A CB 0.065 19.093 19.000 0.047 0.000 0.991 79 A HN 0.282 nan 8.150 nan 0.000 0.502 80 R N 1.179 121.689 120.500 0.017 0.000 2.553 80 R HA 0.239 4.626 4.340 0.079 0.000 0.263 80 R C 0.321 176.627 176.300 0.010 0.000 1.066 80 R CA -0.646 55.458 56.100 0.008 0.000 1.135 80 R CB 0.676 30.978 30.300 0.003 0.000 1.148 80 R HN 0.873 nan 8.270 nan 0.000 0.558 81 N N 2.015 120.718 118.700 0.005 0.000 3.298 81 N HA 0.119 4.906 4.740 0.079 0.000 0.292 81 N C -1.219 174.294 175.510 0.006 0.000 1.271 81 N CA -0.117 52.937 53.050 0.007 0.000 1.184 81 N CB -0.069 38.421 38.487 0.004 0.000 1.452 81 N HN 0.317 nan 8.380 nan 0.000 0.534 82 I N -1.831 118.743 120.570 0.008 0.000 2.865 82 I HA 0.514 4.732 4.170 0.079 0.000 0.302 82 I C -2.333 173.789 176.117 0.008 0.000 1.140 82 I CA -2.490 58.814 61.300 0.006 0.000 1.021 82 I CB 1.744 39.747 38.000 0.005 0.000 1.233 82 I HN -0.119 nan 8.210 nan 0.000 0.427 83 P HA -0.186 nan 4.420 nan 0.000 0.216 83 P C 1.034 178.339 177.300 0.007 0.000 1.157 83 P CA 1.694 64.798 63.100 0.006 0.000 0.880 83 P CB 0.186 31.888 31.700 0.004 0.000 0.791 84 E N -0.460 119.744 120.200 0.008 0.000 2.048 84 E HA -0.225 4.173 4.350 0.079 0.000 0.202 84 E C 1.869 178.477 176.600 0.013 0.000 1.021 84 E CA 1.799 58.205 56.400 0.009 0.000 0.825 84 E CB -1.050 28.656 29.700 0.009 0.000 0.756 84 E HN 0.282 nan 8.360 nan 0.000 0.454 85 D N -0.311 120.098 120.400 0.016 0.000 2.117 85 D HA -0.064 4.623 4.640 0.079 0.000 0.198 85 D C 1.537 177.853 176.300 0.028 0.000 0.982 85 D CA 0.695 54.710 54.000 0.025 0.000 0.828 85 D CB -0.343 40.472 40.800 0.026 0.000 0.967 85 D HN 0.158 nan 8.370 nan 0.000 0.464 86 N N 0.496 119.208 118.700 0.021 0.000 2.289 86 N HA -0.107 4.681 4.740 0.079 0.000 0.184 86 N C 1.657 177.176 175.510 0.015 0.000 1.016 86 N CA 0.855 53.917 53.050 0.021 0.000 0.872 86 N CB 0.112 38.608 38.487 0.015 0.000 0.973 86 N HN 0.099 nan 8.380 nan 0.000 0.433 87 A N 1.370 124.196 122.820 0.010 0.000 1.930 87 A HA -0.127 4.241 4.320 0.079 0.000 0.217 87 A C 1.776 179.359 177.584 -0.001 0.000 1.175 87 A CA 1.380 53.418 52.037 0.002 0.000 0.627 87 A CB -0.201 18.800 19.000 0.001 0.000 0.815 87 A HN 0.067 nan 8.150 nan 0.000 0.443 88 D N -0.607 119.799 120.400 0.010 0.000 2.123 88 D HA -0.093 4.594 4.640 0.079 0.000 0.200 88 D C 2.020 178.326 176.300 0.010 0.000 0.976 88 D CA 1.043 55.049 54.000 0.011 0.000 0.831 88 D CB -0.240 40.579 40.800 0.032 0.000 0.974 88 D HN 0.249 nan 8.370 nan 0.000 0.469 89 M N 0.379 120.004 119.600 0.042 0.000 2.132 89 M HA -0.077 4.450 4.480 0.079 0.000 0.263 89 M C 1.818 178.119 176.300 0.002 0.000 1.065 89 M CA 0.831 56.174 55.300 0.072 0.000 1.122 89 M CB -1.044 31.617 32.600 0.102 0.000 1.365 89 M HN 0.083 nan 8.290 nan 0.000 0.411 90 N N 0.769 119.465 118.700 -0.006 0.000 2.007 90 N HA -0.212 4.575 4.740 0.079 0.000 0.197 90 N C 1.750 177.220 175.510 -0.066 0.000 1.050 90 N CA 1.493 54.527 53.050 -0.026 0.000 0.856 90 N CB -0.231 38.247 38.487 -0.015 0.000 1.050 90 N HN 0.365 nan 8.380 nan 0.000 0.423 91 K N 0.669 121.027 120.400 -0.069 0.000 2.160 91 K HA -0.186 4.181 4.320 0.079 0.000 0.206 91 K C 1.457 177.956 176.600 -0.169 0.000 1.047 91 K CA 1.409 57.641 56.287 -0.091 0.000 0.930 91 K CB 0.071 32.530 32.500 -0.067 0.000 0.720 91 K HN 0.041 nan 8.250 nan 0.000 0.450 92 Q N 0.390 120.029 119.800 -0.269 0.000 2.319 92 Q HA -0.007 4.381 4.340 0.079 0.000 0.202 92 Q C -0.585 174.970 176.000 -0.743 0.000 0.896 92 Q CA 0.369 55.820 55.803 -0.587 0.000 0.942 92 Q CB 0.413 28.647 28.738 -0.841 0.000 1.083 92 Q HN 0.233 nan 8.270 nan 0.000 0.510 93 D N -0.690 119.514 120.400 -0.327 0.000 2.751 93 D HA -0.220 4.467 4.640 0.079 0.000 0.233 93 D C -1.392 174.895 176.300 -0.023 0.000 1.149 93 D CA 0.435 54.344 54.000 -0.153 0.000 0.682 93 D CB -0.983 39.752 40.800 -0.108 0.000 1.068 93 D HN 0.093 nan 8.370 nan 0.000 0.429 94 F N 0.375 120.341 119.950 0.028 0.000 2.404 94 F HA 0.439 5.014 4.527 0.079 0.000 0.339 94 F C 1.213 177.023 175.800 0.017 0.000 1.105 94 F CA -1.329 56.689 58.000 0.030 0.000 1.087 94 F CB 1.373 40.396 39.000 0.038 0.000 1.143 94 F HN -0.202 nan 8.300 nan 0.000 0.491 95 S N 2.633 118.465 115.700 0.221 0.000 2.646 95 S HA 0.638 5.155 4.470 0.079 0.000 0.276 95 S C -0.536 174.108 174.600 0.073 0.000 1.222 95 S CA -0.870 57.395 58.200 0.109 0.000 1.014 95 S CB 1.361 64.600 63.200 0.065 0.000 0.991 95 S HN 0.329 nan 8.310 nan 0.000 0.533 96 L N 1.957 123.207 121.223 0.045 0.000 2.416 96 L HA 0.248 4.635 4.340 0.079 0.000 0.272 96 L C -0.302 176.565 176.870 -0.005 0.000 1.161 96 L CA 0.195 55.047 54.840 0.021 0.000 0.845 96 L CB 0.569 42.639 42.059 0.018 0.000 1.119 96 L HN 0.522 nan 8.230 nan 0.000 0.464 97 V N 4.906 124.807 119.914 -0.023 0.000 2.406 97 V HA 0.247 4.415 4.120 0.079 0.000 0.272 97 V C 0.987 177.061 176.094 -0.033 0.000 1.043 97 V CA -0.512 61.763 62.300 -0.042 0.000 0.915 97 V CB 1.095 32.876 31.823 -0.070 0.000 0.988 97 V HN 0.774 nan 8.190 nan 0.000 0.466 98 R N 4.907 125.385 120.500 -0.036 0.000 2.105 98 R HA 0.221 4.609 4.340 0.079 0.000 0.214 98 R C 0.023 176.307 176.300 -0.026 0.000 1.091 98 R CA 0.966 57.050 56.100 -0.027 0.000 1.007 98 R CB 0.367 30.648 30.300 -0.031 0.000 0.912 98 R HN 0.518 nan 8.270 nan 0.000 0.450 99 V N 0.946 120.833 119.914 -0.045 0.000 2.686 99 V HA 0.422 4.589 4.120 0.079 0.000 0.306 99 V C -1.232 174.833 176.094 -0.048 0.000 1.065 99 V CA -1.020 61.258 62.300 -0.036 0.000 0.894 99 V CB 2.195 33.982 31.823 -0.059 0.000 1.004 99 V HN -0.147 nan 8.190 nan 0.000 0.424 100 V N 5.180 125.078 119.914 -0.026 0.000 2.378 100 V HA 0.461 4.628 4.120 0.079 0.000 0.288 100 V C -0.340 175.754 176.094 0.001 0.000 1.016 100 V CA -0.546 61.731 62.300 -0.039 0.000 0.840 100 V CB 1.843 33.631 31.823 -0.059 0.000 0.994 100 V HN 0.615 nan 8.190 nan 0.000 0.431 101 V N 4.557 124.474 119.914 0.005 0.000 2.313 101 V HA 0.467 4.634 4.120 0.079 0.000 0.278 101 V C -0.223 175.893 176.094 0.037 0.000 1.017 101 V CA -0.341 62.001 62.300 0.070 0.000 0.823 101 V CB 1.318 33.194 31.823 0.089 0.000 1.010 101 V HN 0.969 nan 8.190 nan 0.000 0.443 102 C N 6.149 125.467 119.300 0.030 0.000 2.608 102 C HA 0.659 5.166 4.460 0.079 0.000 0.325 102 C C -0.862 174.119 174.990 -0.016 0.000 1.147 102 C CA -0.474 58.536 59.018 -0.014 0.000 1.359 102 C CB 1.309 29.014 27.740 -0.058 0.000 1.912 102 C HN 0.859 nan 8.230 nan 0.000 0.466 103 N N 4.181 122.872 118.700 -0.016 0.000 2.269 103 N HA 0.652 5.439 4.740 0.079 0.000 0.304 103 N C -1.062 174.421 175.510 -0.046 0.000 1.072 103 N CA -0.325 52.721 53.050 -0.006 0.000 0.802 103 N CB 1.875 40.375 38.487 0.022 0.000 1.348 103 N HN 0.659 nan 8.380 nan 0.000 0.484 104 L N 1.664 122.864 121.223 -0.039 0.000 2.379 104 L HA 0.400 4.788 4.340 0.079 0.000 0.269 104 L C -0.020 176.868 176.870 0.030 0.000 1.084 104 L CA -0.968 53.776 54.840 -0.160 0.000 0.802 104 L CB 0.309 42.092 42.059 -0.460 0.000 1.175 104 L HN 0.357 nan 8.230 nan 0.000 0.448 105 Y N 1.746 122.069 120.300 0.037 0.000 2.944 105 Y HA -0.061 4.536 4.550 0.078 0.000 0.340 105 Y C -1.767 174.247 175.900 0.190 0.000 1.275 105 Y CA -1.760 56.407 58.100 0.112 0.000 1.590 105 Y CB -0.740 37.807 38.460 0.145 0.000 1.218 105 Y HN 0.310 nan 8.280 nan 0.000 0.576 106 P HA -0.001 nan 4.420 nan 0.000 0.259 106 P C 0.364 177.765 177.300 0.168 0.000 1.635 106 P CA 0.324 63.545 63.100 0.202 0.000 1.199 106 P CB -0.486 31.274 31.700 0.099 0.000 1.850 107 F N 3.097 123.120 119.950 0.121 0.000 2.163 107 F HA -0.165 4.408 4.527 0.077 0.000 0.297 107 F C 1.959 177.663 175.800 -0.160 0.000 1.094 107 F CA 1.407 59.353 58.000 -0.090 0.000 1.290 107 F CB -0.164 38.656 39.000 -0.301 0.000 1.017 107 F HN -0.083 nan 8.300 nan 0.000 0.483 108 V N 0.588 120.541 119.914 0.065 0.000 2.343 108 V HA -0.281 3.886 4.120 0.079 0.000 0.247 108 V C 2.455 178.479 176.094 -0.118 0.000 1.051 108 V CA 1.711 63.993 62.300 -0.028 0.000 1.036 108 V CB -0.644 31.207 31.823 0.048 0.000 0.654 108 V HN 0.187 nan 8.190 nan 0.000 0.451 109 K N 0.236 120.587 120.400 -0.080 0.000 2.025 109 K HA -0.084 4.284 4.320 0.079 0.000 0.207 109 K C 2.254 178.751 176.600 -0.173 0.000 1.049 109 K CA 1.824 58.055 56.287 -0.093 0.000 0.933 109 K CB -1.085 31.390 32.500 -0.042 0.000 0.714 109 K HN 0.547 nan 8.250 nan 0.000 0.438 110 T N 1.683 116.092 114.554 -0.242 0.000 2.720 110 T HA -0.112 4.286 4.350 0.079 0.000 0.268 110 T C 1.882 176.339 174.700 -0.405 0.000 1.037 110 T CA 1.702 63.619 62.100 -0.304 0.000 1.144 110 T CB -0.390 68.276 68.868 -0.337 0.000 0.864 110 T HN 0.189 nan 8.240 nan 0.000 0.444 111 V N 0.996 120.544 119.914 -0.611 0.000 3.573 111 V HA 0.133 4.300 4.120 0.079 0.000 0.270 111 V C 2.140 178.053 176.094 -0.300 0.000 1.221 111 V CA 1.120 63.047 62.300 -0.621 0.000 1.163 111 V CB -0.825 30.346 31.823 -1.087 0.000 0.847 111 V HN 0.542 nan 8.190 nan 0.000 0.468 112 S N -1.024 114.542 115.700 -0.223 0.000 2.503 112 S HA 0.177 4.695 4.470 0.079 0.000 0.215 112 S C 1.196 175.738 174.600 -0.097 0.000 1.003 112 S CA 0.355 58.482 58.200 -0.122 0.000 0.910 112 S CB -0.223 62.921 63.200 -0.092 0.000 0.790 112 S HN 0.506 nan 8.310 nan 0.000 0.514 113 S N 3.452 119.080 115.700 -0.119 0.000 2.598 113 S HA 0.310 4.828 4.470 0.079 0.000 0.256 113 S C -1.358 173.201 174.600 -0.068 0.000 1.350 113 S CA -0.818 57.330 58.200 -0.088 0.000 0.984 113 S CB -0.069 63.072 63.200 -0.099 0.000 0.930 113 S HN 0.284 nan 8.310 nan 0.000 0.577 114 P HA -0.153 nan 4.420 nan 0.000 0.229 114 P C 0.329 177.612 177.300 -0.028 0.000 1.054 114 P CA 0.942 64.022 63.100 -0.034 0.000 1.010 114 P CB -0.294 31.387 31.700 -0.031 0.000 0.624 115 G N -0.588 108.200 108.800 -0.021 0.000 3.727 115 G HA2 0.462 4.469 3.960 0.079 0.000 0.301 115 G HA3 0.462 4.469 3.960 0.079 0.000 0.301 115 G C -0.081 174.811 174.900 -0.013 0.000 1.128 115 G CA -0.353 44.740 45.100 -0.012 0.000 1.545 115 G HN 0.394 nan 8.290 nan 0.000 0.555 116 V N 0.029 119.928 119.914 -0.025 0.000 2.811 116 V HA 0.662 4.830 4.120 0.079 0.000 0.302 116 V C 0.390 176.491 176.094 0.012 0.000 1.063 116 V CA -0.521 61.758 62.300 -0.034 0.000 1.088 116 V CB 0.833 32.596 31.823 -0.100 0.000 0.982 116 V HN 0.301 nan 8.190 nan 0.000 0.485 117 T N 2.303 116.870 114.554 0.021 0.000 2.944 117 T HA 0.464 4.862 4.350 0.079 0.000 0.284 117 T C 1.222 175.995 174.700 0.122 0.000 1.010 117 T CA -0.314 61.826 62.100 0.066 0.000 1.025 117 T CB 1.734 70.633 68.868 0.052 0.000 1.079 117 T HN 0.472 nan 8.240 nan 0.000 0.516 118 V N 2.815 122.835 119.914 0.177 0.000 2.252 118 V HA -0.146 4.022 4.120 0.079 0.000 0.249 118 V C -0.385 175.853 176.094 0.239 0.000 1.056 118 V CA 1.889 64.356 62.300 0.279 0.000 1.022 118 V CB -1.536 30.445 31.823 0.264 0.000 0.641 118 V HN 0.783 nan 8.190 nan 0.000 0.445 119 P HA -0.206 nan 4.420 nan 0.000 0.216 119 P C 1.528 178.878 177.300 0.084 0.000 1.153 119 P CA 1.698 64.871 63.100 0.121 0.000 0.858 119 P CB -0.030 31.719 31.700 0.082 0.000 0.789 120 E N -0.342 119.886 120.200 0.047 0.000 2.077 120 E HA -0.119 4.278 4.350 0.079 0.000 0.193 120 E C 2.223 178.799 176.600 -0.042 0.000 0.989 120 E CA 1.253 57.649 56.400 -0.008 0.000 0.800 120 E CB -0.449 29.230 29.700 -0.034 0.000 0.746 120 E HN 0.179 nan 8.360 nan 0.000 0.452 121 A N 0.737 123.524 122.820 -0.056 0.000 1.929 121 A HA -0.096 4.272 4.320 0.079 0.000 0.216 121 A C 2.455 180.069 177.584 0.049 0.000 1.176 121 A CA 0.782 52.702 52.037 -0.195 0.000 0.628 121 A CB -0.523 18.199 19.000 -0.463 0.000 0.816 121 A HN 0.108 nan 8.150 nan 0.000 0.444 122 V N 0.351 120.382 119.914 0.194 0.000 2.332 122 V HA -0.217 3.950 4.120 0.079 0.000 0.248 122 V C 2.443 178.654 176.094 0.195 0.000 1.055 122 V CA 2.138 64.611 62.300 0.288 0.000 1.038 122 V CB -0.573 31.448 31.823 0.331 0.000 0.651 122 V HN 0.529 nan 8.190 nan 0.000 0.450 123 E N -0.301 119.965 120.200 0.109 0.000 2.418 123 E HA -0.105 4.292 4.350 0.079 0.000 0.197 123 E C 1.737 178.333 176.600 -0.007 0.000 1.026 123 E CA 0.450 56.881 56.400 0.050 0.000 0.862 123 E CB 0.015 29.716 29.700 0.002 0.000 0.799 123 E HN 0.446 nan 8.360 nan 0.000 0.518 124 K N 0.388 120.810 120.400 0.037 0.000 2.417 124 K HA 0.187 4.554 4.320 0.079 0.000 0.196 124 K C 0.511 177.323 176.600 0.352 0.000 1.023 124 K CA -0.138 56.179 56.287 0.051 0.000 1.122 124 K CB 0.301 32.807 32.500 0.010 0.000 0.850 124 K HN 0.135 nan 8.250 nan 0.000 0.521 125 I N 2.222 122.990 120.570 0.331 0.000 2.436 125 I HA -0.014 4.203 4.170 0.079 0.000 0.289 125 I C 0.555 176.923 176.117 0.418 0.000 1.083 125 I CA -0.124 61.364 61.300 0.314 0.000 1.372 125 I CB 0.375 38.468 38.000 0.156 0.000 1.408 125 I HN -0.110 nan 8.210 nan 0.000 0.516 126 D N 6.936 127.624 120.400 0.480 0.000 2.348 126 D HA 0.113 4.800 4.640 0.079 0.000 0.253 126 D C 0.621 177.000 176.300 0.131 0.000 1.161 126 D CA -0.064 54.071 54.000 0.226 0.000 0.876 126 D CB 1.387 42.142 40.800 -0.076 0.000 1.160 126 D HN 0.330 nan 8.370 nan 0.000 0.459 127 I N 2.915 123.532 120.570 0.078 0.000 2.899 127 I HA 0.042 4.260 4.170 0.079 0.000 0.257 127 I C 2.312 178.430 176.117 0.003 0.000 1.115 127 I CA 0.446 61.779 61.300 0.054 0.000 1.451 127 I CB -1.294 36.749 38.000 0.073 0.000 1.251 127 I HN 0.483 nan 8.210 nan 0.000 0.456 128 G N 1.013 109.799 108.800 -0.024 0.000 2.404 128 G HA2 -0.135 3.873 3.960 0.079 0.000 0.215 128 G HA3 -0.135 3.873 3.960 0.079 0.000 0.215 128 G C 1.687 176.555 174.900 -0.053 0.000 1.174 128 G CA 0.861 45.950 45.100 -0.019 0.000 0.780 128 G HN 0.446 nan 8.290 nan 0.000 0.537 129 G N 0.457 109.170 108.800 -0.146 0.000 2.440 129 G HA2 -0.168 3.839 3.960 0.079 0.000 0.218 129 G HA3 -0.168 3.839 3.960 0.079 0.000 0.218 129 G C 1.790 176.611 174.900 -0.132 0.000 1.154 129 G CA 1.237 46.237 45.100 -0.165 0.000 0.767 129 G HN 0.313 nan 8.290 nan 0.000 0.552 130 V N 1.551 121.382 119.914 -0.138 0.000 2.343 130 V HA -0.161 4.006 4.120 0.079 0.000 0.247 130 V C 3.342 179.415 176.094 -0.034 0.000 1.051 130 V CA 2.094 64.329 62.300 -0.108 0.000 1.036 130 V CB -0.882 30.895 31.823 -0.076 0.000 0.654 130 V HN 0.495 nan 8.190 nan 0.000 0.451 131 A N -0.171 122.658 122.820 0.014 0.000 1.883 131 A HA -0.189 4.178 4.320 0.079 0.000 0.217 131 A C 2.209 179.875 177.584 0.138 0.000 1.186 131 A CA 1.993 54.087 52.037 0.096 0.000 0.624 131 A CB -0.589 18.490 19.000 0.132 0.000 0.822 131 A HN 0.500 nan 8.150 nan 0.000 0.444 132 L N -0.697 120.561 121.223 0.057 0.000 1.990 132 L HA -0.246 4.142 4.340 0.079 0.000 0.213 132 L C 2.657 179.484 176.870 -0.070 0.000 1.072 132 L CA 1.582 56.388 54.840 -0.057 0.000 0.755 132 L CB -0.793 41.197 42.059 -0.114 0.000 0.889 132 L HN 0.383 nan 8.230 nan 0.000 0.432 133 L N -0.666 120.501 121.223 -0.093 0.000 2.079 133 L HA -0.227 4.161 4.340 0.079 0.000 0.210 133 L C 2.869 179.588 176.870 -0.252 0.000 1.081 133 L CA 1.371 56.121 54.840 -0.150 0.000 0.752 133 L CB -0.513 41.462 42.059 -0.140 0.000 0.896 133 L HN 0.250 nan 8.230 nan 0.000 0.433 134 R N -0.424 119.969 120.500 -0.179 0.000 2.115 134 R HA -0.036 4.351 4.340 0.079 0.000 0.226 134 R C 2.414 178.686 176.300 -0.047 0.000 1.100 134 R CA 1.063 57.041 56.100 -0.204 0.000 0.980 134 R CB -0.320 30.030 30.300 0.083 0.000 0.875 134 R HN 0.338 nan 8.270 nan 0.000 0.445 135 A N 1.368 124.201 122.820 0.023 0.000 1.872 135 A HA -0.024 4.343 4.320 0.079 0.000 0.214 135 A C 2.363 179.967 177.584 0.033 0.000 1.187 135 A CA 1.460 53.544 52.037 0.078 0.000 0.614 135 A CB -0.556 18.533 19.000 0.148 0.000 0.826 135 A HN 0.344 nan 8.150 nan 0.000 0.442 136 A N -0.116 122.688 122.820 -0.027 0.000 1.933 136 A HA 0.182 4.549 4.320 0.079 0.000 0.218 136 A C 2.478 180.062 177.584 -0.001 0.000 1.175 136 A CA 2.036 54.059 52.037 -0.024 0.000 0.628 136 A CB -0.950 18.020 19.000 -0.050 0.000 0.814 136 A HN 1.003 nan 8.150 nan 0.000 0.444 137 A N -0.070 122.686 122.820 -0.106 0.000 1.898 137 A HA -0.155 4.213 4.320 0.079 0.000 0.216 137 A C 2.119 179.870 177.584 0.279 0.000 1.181 137 A CA 2.004 53.982 52.037 -0.099 0.000 0.620 137 A CB -0.478 18.074 19.000 -0.747 0.000 0.819 137 A HN 0.571 nan 8.150 nan 0.000 0.442 138 K N -0.386 120.202 120.400 0.314 0.000 2.032 138 K HA -0.197 4.170 4.320 0.079 0.000 0.209 138 K C 0.954 177.676 176.600 0.203 0.000 1.048 138 K CA 1.805 58.320 56.287 0.381 0.000 0.927 138 K CB -0.219 32.452 32.500 0.285 0.000 0.712 138 K HN 0.384 nan 8.250 nan 0.000 0.441 139 N N 0.867 119.635 118.700 0.113 0.000 2.484 139 N HA -0.037 4.750 4.740 0.079 0.000 0.245 139 N C 0.707 176.220 175.510 0.005 0.000 1.184 139 N CA -0.093 52.967 53.050 0.017 0.000 0.884 139 N CB -0.028 38.471 38.487 0.021 0.000 1.182 139 N HN 0.369 nan 8.380 nan 0.000 0.493 140 H N -1.656 117.450 119.070 0.060 0.000 2.518 140 H HA 0.003 4.607 4.556 0.080 0.000 0.289 140 H C 1.481 176.837 175.328 0.046 0.000 1.051 140 H CA 1.018 57.097 56.048 0.051 0.000 1.280 140 H CB -0.081 29.722 29.762 0.068 0.000 1.380 140 H HN 0.241 nan 8.280 nan 0.000 0.566 141 A N 1.533 124.137 122.820 -0.360 0.000 1.986 141 A HA -0.216 4.151 4.320 0.079 0.000 0.220 141 A C 2.544 180.100 177.584 -0.045 0.000 1.171 141 A CA 2.089 54.016 52.037 -0.183 0.000 0.640 141 A CB -0.542 18.351 19.000 -0.180 0.000 0.811 141 A HN 0.527 nan 8.150 nan 0.000 0.451 142 R N -2.192 118.293 120.500 -0.025 0.000 2.444 142 R HA 0.225 4.612 4.340 0.079 0.000 0.201 142 R C -0.554 175.758 176.300 0.020 0.000 0.861 142 R CA 0.349 56.451 56.100 0.002 0.000 1.034 142 R CB 0.642 30.939 30.300 -0.005 0.000 1.347 142 R HN 0.209 nan 8.270 nan 0.000 0.659 143 V N 2.332 122.262 119.914 0.027 0.000 2.546 143 V HA 0.258 4.426 4.120 0.079 0.000 0.284 143 V C -0.107 176.018 176.094 0.052 0.000 1.050 143 V CA -0.271 62.046 62.300 0.029 0.000 0.981 143 V CB 1.519 33.351 31.823 0.016 0.000 0.990 143 V HN 0.173 nan 8.190 nan 0.000 0.474 144 T N 4.567 119.147 114.554 0.042 0.000 2.771 144 T HA 0.430 4.827 4.350 0.079 0.000 0.291 144 T C -0.363 174.365 174.700 0.047 0.000 0.954 144 T CA -0.105 62.030 62.100 0.058 0.000 1.045 144 T CB 1.405 70.312 68.868 0.065 0.000 0.917 144 T HN 0.511 nan 8.240 nan 0.000 0.484 145 V N 5.005 124.946 119.914 0.046 0.000 2.540 145 V HA 0.693 4.860 4.120 0.079 0.000 0.302 145 V C -1.131 174.985 176.094 0.037 0.000 1.035 145 V CA -0.524 61.788 62.300 0.020 0.000 0.873 145 V CB 1.612 33.417 31.823 -0.030 0.000 0.992 145 V HN 0.698 nan 8.190 nan 0.000 0.428 146 V N 6.876 126.825 119.914 0.058 0.000 2.419 146 V HA 0.249 4.416 4.120 0.079 0.000 0.287 146 V C 0.582 176.709 176.094 0.056 0.000 1.017 146 V CA -0.174 62.179 62.300 0.087 0.000 0.844 146 V CB 1.053 33.004 31.823 0.213 0.000 1.011 146 V HN 1.098 nan 8.190 nan 0.000 0.429 147 C N -0.115 119.155 119.300 -0.049 0.000 3.183 147 C HA 0.419 4.927 4.460 0.079 0.000 0.285 147 C C 0.403 175.259 174.990 -0.224 0.000 1.313 147 C CA -0.069 58.864 59.018 -0.141 0.000 1.711 147 C CB -0.677 26.913 27.740 -0.250 0.000 2.135 147 C HN 0.728 nan 8.230 nan 0.000 0.651 148 D N 1.167 121.453 120.400 -0.190 0.000 2.469 148 D HA 0.407 5.094 4.640 0.079 0.000 0.251 148 D C -1.827 174.211 176.300 -0.438 0.000 1.173 148 D CA -1.905 51.935 54.000 -0.268 0.000 0.882 148 D CB 1.920 42.590 40.800 -0.216 0.000 1.129 148 D HN -0.135 nan 8.370 nan 0.000 0.549 149 P HA -0.178 nan 4.420 nan 0.000 0.218 149 P C 0.867 177.625 177.300 -0.904 0.000 1.147 149 P CA 1.174 63.422 63.100 -1.420 0.000 0.827 149 P CB 0.244 31.463 31.700 -0.802 0.000 0.778 150 A N -0.967 121.576 122.820 -0.462 0.000 2.209 150 A HA -0.120 4.248 4.320 0.079 0.000 0.212 150 A C 1.581 179.034 177.584 -0.217 0.000 1.158 150 A CA 1.326 53.200 52.037 -0.271 0.000 0.742 150 A CB -0.695 18.199 19.000 -0.176 0.000 0.790 150 A HN 0.098 nan 8.150 nan 0.000 0.472 151 D N -1.905 118.347 120.400 -0.246 0.000 2.379 151 D HA 0.050 4.738 4.640 0.079 0.000 0.208 151 D C 0.952 177.143 176.300 -0.182 0.000 1.065 151 D CA 0.083 53.988 54.000 -0.157 0.000 0.848 151 D CB -0.077 40.664 40.800 -0.098 0.000 0.949 151 D HN 0.381 nan 8.370 nan 0.000 0.509 152 Y N 2.069 122.069 120.300 -0.499 0.000 2.049 152 Y HA -0.198 4.400 4.550 0.079 0.000 0.277 152 Y C 2.680 178.220 175.900 -0.601 0.000 1.143 152 Y CA 0.952 58.474 58.100 -0.964 0.000 1.115 152 Y CB -1.232 36.790 38.460 -0.730 0.000 0.975 152 Y HN -0.004 nan 8.280 nan 0.000 0.487 153 S N -1.308 114.334 115.700 -0.097 0.000 2.607 153 S HA -0.050 4.467 4.470 0.079 0.000 0.224 153 S C 2.060 176.644 174.600 -0.028 0.000 0.969 153 S CA 0.826 59.012 58.200 -0.023 0.000 0.927 153 S CB -0.339 62.864 63.200 0.005 0.000 0.772 153 S HN 0.319 nan 8.310 nan 0.000 0.533 154 S N 0.811 116.473 115.700 -0.065 0.000 2.412 154 S HA 0.007 4.524 4.470 0.079 0.000 0.223 154 S C 1.926 176.510 174.600 -0.027 0.000 1.048 154 S CA 0.858 59.028 58.200 -0.051 0.000 0.954 154 S CB -0.521 62.633 63.200 -0.078 0.000 0.840 154 S HN 0.736 nan 8.310 nan 0.000 0.503 155 V N 0.889 120.787 119.914 -0.026 0.000 2.548 155 V HA 0.183 4.351 4.120 0.079 0.000 0.249 155 V C 2.486 178.650 176.094 0.117 0.000 1.055 155 V CA 1.556 63.882 62.300 0.044 0.000 1.065 155 V CB -1.627 30.247 31.823 0.084 0.000 0.681 155 V HN 0.470 nan 8.190 nan 0.000 0.462 156 A N 2.503 125.424 122.820 0.168 0.000 1.865 156 A HA -0.250 4.117 4.320 0.079 0.000 0.217 156 A C 2.359 180.001 177.584 0.097 0.000 1.191 156 A CA 2.796 54.958 52.037 0.209 0.000 0.623 156 A CB -0.784 18.370 19.000 0.257 0.000 0.826 156 A HN 0.797 nan 8.150 nan 0.000 0.444 157 K N -0.171 120.265 120.400 0.060 0.000 2.103 157 K HA -0.223 4.144 4.320 0.079 0.000 0.207 157 K C 1.884 178.500 176.600 0.027 0.000 1.048 157 K CA 1.842 58.149 56.287 0.033 0.000 0.930 157 K CB -0.380 32.130 32.500 0.017 0.000 0.716 157 K HN 0.621 nan 8.250 nan 0.000 0.444 158 E N 0.714 120.930 120.200 0.027 0.000 2.072 158 E HA -0.111 4.287 4.350 0.079 0.000 0.190 158 E C 2.155 178.771 176.600 0.026 0.000 0.982 158 E CA 0.900 57.312 56.400 0.020 0.000 0.803 158 E CB -0.016 29.692 29.700 0.014 0.000 0.755 158 E HN 0.398 nan 8.360 nan 0.000 0.453 159 M N 0.130 119.754 119.600 0.040 0.000 2.229 159 M HA -0.077 4.450 4.480 0.079 0.000 0.264 159 M C 2.327 178.639 176.300 0.020 0.000 1.063 159 M CA 1.286 56.605 55.300 0.032 0.000 1.114 159 M CB 0.008 32.634 32.600 0.042 0.000 1.387 159 M HN 0.179 nan 8.290 nan 0.000 0.420 160 A N -0.032 122.802 122.820 0.023 0.000 2.014 160 A HA 0.147 4.514 4.320 0.079 0.000 0.218 160 A C 2.138 179.729 177.584 0.011 0.000 1.163 160 A CA 1.448 53.494 52.037 0.014 0.000 0.652 160 A CB -0.528 18.483 19.000 0.018 0.000 0.808 160 A HN 0.469 nan 8.150 nan 0.000 0.449 161 A N -0.027 122.800 122.820 0.012 0.000 2.251 161 A HA 0.380 4.747 4.320 0.079 0.000 0.209 161 A C 1.170 178.759 177.584 0.007 0.000 1.187 161 A CA 0.728 52.770 52.037 0.009 0.000 0.823 161 A CB -0.450 18.555 19.000 0.008 0.000 0.846 161 A HN 0.719 nan 8.150 nan 0.000 0.486 162 S N -0.397 115.308 115.700 0.008 0.000 2.537 162 S HA 0.418 4.935 4.470 0.079 0.000 0.301 162 S C 0.907 175.511 174.600 0.005 0.000 1.092 162 S CA -0.427 57.778 58.200 0.007 0.000 1.048 162 S CB 1.653 64.859 63.200 0.010 0.000 1.053 162 S HN 0.321 nan 8.310 nan 0.000 0.501 163 K N 1.938 122.341 120.400 0.005 0.000 2.063 163 K HA -0.186 4.181 4.320 0.079 0.000 0.208 163 K C 0.633 177.234 176.600 0.003 0.000 1.048 163 K CA 1.859 58.148 56.287 0.003 0.000 0.928 163 K CB -0.954 31.548 32.500 0.004 0.000 0.713 163 K HN 0.847 nan 8.250 nan 0.000 0.442 164 D N 2.338 122.741 120.400 0.004 0.000 2.349 164 D HA -0.098 4.589 4.640 0.079 0.000 0.224 164 D C 0.119 176.420 176.300 0.002 0.000 1.029 164 D CA 0.246 54.248 54.000 0.003 0.000 0.879 164 D CB -0.266 40.537 40.800 0.006 0.000 0.906 164 D HN 0.415 nan 8.370 nan 0.000 0.528 165 K N 0.300 120.700 120.400 0.001 0.000 3.078 165 K HA -0.250 4.117 4.320 0.079 0.000 0.261 165 K C -0.948 175.652 176.600 0.001 0.000 0.947 165 K CA 1.176 57.462 56.287 -0.001 0.000 0.702 165 K CB -2.149 30.347 32.500 -0.008 0.000 1.318 165 K HN 0.303 nan 8.250 nan 0.000 0.473 166 D N 0.143 120.547 120.400 0.008 0.000 2.570 166 D HA 0.353 5.040 4.640 0.079 0.000 0.244 166 D C -0.337 175.976 176.300 0.021 0.000 1.178 166 D CA 0.321 54.329 54.000 0.013 0.000 0.881 166 D CB 1.758 42.564 40.800 0.011 0.000 1.453 166 D HN 0.256 nan 8.370 nan 0.000 0.447 167 T N -1.093 113.478 114.554 0.029 0.000 2.726 167 T HA 0.491 4.889 4.350 0.079 0.000 0.294 167 T C 0.693 175.412 174.700 0.032 0.000 1.013 167 T CA -0.563 61.558 62.100 0.035 0.000 0.996 167 T CB 0.516 69.412 68.868 0.047 0.000 1.016 167 T HN 0.363 nan 8.240 nan 0.000 0.529 168 S N -0.284 115.436 115.700 0.032 0.000 2.713 168 S HA 0.354 4.872 4.470 0.079 0.000 0.283 168 S C 1.373 176.003 174.600 0.051 0.000 1.161 168 S CA -0.672 57.549 58.200 0.034 0.000 0.999 168 S CB 0.996 64.212 63.200 0.027 0.000 1.039 168 S HN 0.542 nan 8.310 nan 0.000 0.548 169 V N 1.494 121.441 119.914 0.055 0.000 2.343 169 V HA -0.143 4.024 4.120 0.079 0.000 0.247 169 V C 2.570 178.720 176.094 0.093 0.000 1.051 169 V CA 2.281 64.629 62.300 0.079 0.000 1.036 169 V CB -1.497 30.367 31.823 0.068 0.000 0.654 169 V HN 0.891 nan 8.190 nan 0.000 0.451 170 E N 0.541 120.783 120.200 0.069 0.000 2.058 170 E HA -0.189 4.208 4.350 0.079 0.000 0.194 170 E C 2.306 178.952 176.600 0.077 0.000 0.997 170 E CA 2.071 58.511 56.400 0.067 0.000 0.801 170 E CB -0.678 29.050 29.700 0.046 0.000 0.746 170 E HN 0.600 nan 8.360 nan 0.000 0.450 171 T N 0.497 115.085 114.554 0.058 0.000 2.708 171 T HA -0.110 4.287 4.350 0.079 0.000 0.266 171 T C 1.754 176.510 174.700 0.093 0.000 1.037 171 T CA 1.171 63.301 62.100 0.050 0.000 1.146 171 T CB -0.159 68.719 68.868 0.017 0.000 0.865 171 T HN 0.109 nan 8.240 nan 0.000 0.435 172 R N 0.776 121.334 120.500 0.098 0.000 2.096 172 R HA -0.000 4.387 4.340 0.079 0.000 0.235 172 R C 2.732 179.088 176.300 0.094 0.000 1.127 172 R CA 1.090 57.262 56.100 0.120 0.000 0.968 172 R CB -0.209 30.184 30.300 0.155 0.000 0.861 172 R HN 0.392 nan 8.270 nan 0.000 0.440 173 R N -0.658 119.888 120.500 0.076 0.000 2.070 173 R HA -0.181 4.206 4.340 0.079 0.000 0.233 173 R C 2.239 178.517 176.300 -0.038 0.000 1.137 173 R CA 1.860 57.916 56.100 -0.072 0.000 0.945 173 R CB -0.630 29.670 30.300 -0.000 0.000 0.845 173 R HN 0.388 nan 8.270 nan 0.000 0.430 174 H N 0.568 119.615 119.070 -0.039 0.000 2.357 174 H HA -0.125 4.479 4.556 0.080 0.000 0.296 174 H C 1.887 177.195 175.328 -0.033 0.000 1.108 174 H CA 1.875 57.906 56.048 -0.028 0.000 1.273 174 H CB -0.020 29.733 29.762 -0.014 0.000 1.367 174 H HN 0.091 nan 8.280 nan 0.000 0.498 175 L N -0.645 120.663 121.223 0.142 0.000 2.179 175 L HA 0.010 4.398 4.340 0.079 0.000 0.208 175 L C 2.804 179.669 176.870 -0.008 0.000 1.096 175 L CA 0.657 55.549 54.840 0.087 0.000 0.779 175 L CB -0.387 41.726 42.059 0.090 0.000 0.922 175 L HN 0.433 nan 8.230 nan 0.000 0.443 176 A N 0.070 122.868 122.820 -0.037 0.000 1.930 176 A HA -0.210 4.157 4.320 0.079 0.000 0.217 176 A C 2.161 179.738 177.584 -0.012 0.000 1.175 176 A CA 1.477 53.475 52.037 -0.064 0.000 0.627 176 A CB -0.551 18.350 19.000 -0.165 0.000 0.815 176 A HN 0.334 nan 8.150 nan 0.000 0.443 177 L N -0.057 121.137 121.223 -0.049 0.000 2.017 177 L HA -0.094 4.293 4.340 0.079 0.000 0.208 177 L C 2.184 179.049 176.870 -0.008 0.000 1.073 177 L CA 2.669 57.498 54.840 -0.018 0.000 0.745 177 L CB -0.632 41.367 42.059 -0.100 0.000 0.894 177 L HN 0.398 nan 8.230 nan 0.000 0.432 178 K N -0.678 119.679 120.400 -0.072 0.000 2.057 178 K HA -0.153 4.214 4.320 0.079 0.000 0.207 178 K C 2.005 178.599 176.600 -0.010 0.000 1.049 178 K CA 1.350 57.604 56.287 -0.055 0.000 0.931 178 K CB -0.254 32.198 32.500 -0.081 0.000 0.714 178 K HN 0.505 nan 8.250 nan 0.000 0.440 179 A N 0.328 123.118 122.820 -0.049 0.000 1.873 179 A HA -0.116 4.251 4.320 0.079 0.000 0.215 179 A C 1.877 179.411 177.584 -0.083 0.000 1.186 179 A CA 1.226 53.204 52.037 -0.099 0.000 0.616 179 A CB -0.708 18.165 19.000 -0.212 0.000 0.823 179 A HN 0.322 nan 8.150 nan 0.000 0.442 180 F N 0.767 120.733 119.950 0.027 0.000 2.325 180 F HA -0.063 4.511 4.527 0.078 0.000 0.299 180 F C 2.654 178.475 175.800 0.035 0.000 1.090 180 F CA 1.555 59.572 58.000 0.028 0.000 1.392 180 F CB -0.879 38.128 39.000 0.012 0.000 1.053 180 F HN 0.143 nan 8.300 nan 0.000 0.521 181 T N -1.909 112.764 114.554 0.200 0.000 2.777 181 T HA -0.223 4.174 4.350 0.079 0.000 0.266 181 T C 2.029 176.820 174.700 0.152 0.000 1.040 181 T CA 1.521 63.703 62.100 0.137 0.000 1.141 181 T CB -0.492 68.426 68.868 0.083 0.000 0.868 181 T HN 0.411 nan 8.240 nan 0.000 0.444 182 H N 0.510 119.602 119.070 0.038 0.000 2.357 182 H HA -0.068 4.535 4.556 0.078 0.000 0.301 182 H C 2.135 177.497 175.328 0.056 0.000 1.082 182 H CA 1.553 57.617 56.048 0.026 0.000 1.342 182 H CB 0.089 29.836 29.762 -0.025 0.000 1.389 182 H HN 0.254 nan 8.280 nan 0.000 0.511 183 T N 0.635 115.225 114.554 0.060 0.000 2.777 183 T HA -0.073 4.324 4.350 0.079 0.000 0.266 183 T C 2.208 176.970 174.700 0.103 0.000 1.040 183 T CA 0.977 63.106 62.100 0.049 0.000 1.141 183 T CB -0.454 68.468 68.868 0.090 0.000 0.868 183 T HN 0.475 nan 8.240 nan 0.000 0.444 184 A N 1.531 124.424 122.820 0.121 0.000 1.883 184 A HA -0.213 4.154 4.320 0.079 0.000 0.217 184 A C 2.255 179.874 177.584 0.058 0.000 1.186 184 A CA 1.707 53.799 52.037 0.092 0.000 0.624 184 A CB -0.712 18.344 19.000 0.093 0.000 0.822 184 A HN 0.546 nan 8.150 nan 0.000 0.444 185 Q N -2.434 117.397 119.800 0.052 0.000 2.224 185 Q HA -0.159 4.228 4.340 0.079 0.000 0.203 185 Q C 1.940 177.946 176.000 0.010 0.000 0.970 185 Q CA 1.466 57.287 55.803 0.030 0.000 0.865 185 Q CB -0.256 28.505 28.738 0.038 0.000 0.922 185 Q HN 0.816 nan 8.270 nan 0.000 0.445 186 Y N 1.672 121.880 120.300 -0.154 0.000 2.133 186 Y HA -0.219 4.378 4.550 0.079 0.000 0.287 186 Y C 1.675 177.455 175.900 -0.200 0.000 1.134 186 Y CA 1.676 59.658 58.100 -0.197 0.000 1.133 186 Y CB 0.003 38.321 38.460 -0.236 0.000 0.987 186 Y HN 0.055 nan 8.280 nan 0.000 0.502 187 D N -0.444 119.912 120.400 -0.073 0.000 2.183 187 D HA -0.074 4.613 4.640 0.079 0.000 0.203 187 D C 2.234 178.445 176.300 -0.148 0.000 0.969 187 D CA 1.160 55.071 54.000 -0.148 0.000 0.842 187 D CB -0.470 40.318 40.800 -0.020 0.000 0.957 187 D HN 0.419 nan 8.370 nan 0.000 0.484 188 A N 1.035 123.806 122.820 -0.082 0.000 1.883 188 A HA -0.131 4.236 4.320 0.079 0.000 0.217 188 A C 2.308 179.827 177.584 -0.109 0.000 1.186 188 A CA 2.348 54.346 52.037 -0.065 0.000 0.624 188 A CB -0.817 18.174 19.000 -0.015 0.000 0.822 188 A HN 0.237 nan 8.150 nan 0.000 0.444 189 A N -0.095 122.644 122.820 -0.134 0.000 1.902 189 A HA -0.098 4.269 4.320 0.079 0.000 0.217 189 A C 2.132 179.624 177.584 -0.153 0.000 1.181 189 A CA 1.589 53.562 52.037 -0.107 0.000 0.623 189 A CB -0.638 18.318 19.000 -0.073 0.000 0.818 189 A HN 0.526 nan 8.150 nan 0.000 0.443 190 I N 0.724 121.000 120.570 -0.490 0.000 2.179 190 I HA -0.255 3.962 4.170 0.079 0.000 0.242 190 I C 2.813 178.751 176.117 -0.298 0.000 1.088 190 I CA 1.652 62.531 61.300 -0.703 0.000 1.357 190 I CB -0.408 37.019 38.000 -0.955 0.000 1.051 190 I HN 0.455 nan 8.210 nan 0.000 0.409 191 S N -0.023 115.591 115.700 -0.144 0.000 2.402 191 S HA -0.219 4.298 4.470 0.079 0.000 0.229 191 S C 1.619 176.191 174.600 -0.047 0.000 1.021 191 S CA 1.406 59.602 58.200 -0.006 0.000 0.974 191 S CB -0.465 62.733 63.200 -0.004 0.000 0.800 191 S HN 0.432 nan 8.310 nan 0.000 0.484 192 D N 0.873 121.208 120.400 -0.109 0.000 2.084 192 D HA -0.163 4.524 4.640 0.079 0.000 0.194 192 D C 1.769 178.032 176.300 -0.062 0.000 0.990 192 D CA 1.230 55.136 54.000 -0.157 0.000 0.826 192 D CB -0.490 40.227 40.800 -0.138 0.000 0.971 192 D HN 0.461 nan 8.370 nan 0.000 0.453 193 Y N -0.044 120.183 120.300 -0.121 0.000 2.128 193 Y HA -0.203 4.393 4.550 0.077 0.000 0.284 193 Y C 1.909 177.762 175.900 -0.078 0.000 1.154 193 Y CA 1.619 59.648 58.100 -0.119 0.000 1.149 193 Y CB -0.588 37.808 38.460 -0.106 0.000 0.976 193 Y HN -0.057 nan 8.280 nan 0.000 0.505 194 F N 0.481 120.322 119.950 -0.181 0.000 2.234 194 F HA -0.077 4.497 4.527 0.078 0.000 0.299 194 F C 2.497 178.147 175.800 -0.250 0.000 1.087 194 F CA 1.168 58.972 58.000 -0.327 0.000 1.340 194 F CB -0.922 38.068 39.000 -0.017 0.000 1.031 194 F HN 0.030 nan 8.300 nan 0.000 0.500 195 R N 0.465 120.978 120.500 0.022 0.000 2.083 195 R HA -0.184 4.203 4.340 0.079 0.000 0.237 195 R C 2.158 178.414 176.300 -0.073 0.000 1.137 195 R CA 1.706 57.792 56.100 -0.023 0.000 0.951 195 R CB -0.292 29.960 30.300 -0.081 0.000 0.851 195 R HN 0.243 nan 8.270 nan 0.000 0.434 196 K N -0.066 120.251 120.400 -0.138 0.000 2.097 196 K HA -0.129 4.238 4.320 0.079 0.000 0.206 196 K C 2.009 178.484 176.600 -0.209 0.000 1.049 196 K CA 0.991 57.189 56.287 -0.149 0.000 0.933 196 K CB 0.061 32.469 32.500 -0.152 0.000 0.717 196 K HN 0.113 nan 8.250 nan 0.000 0.442 197 E N -0.159 119.812 120.200 -0.381 0.000 2.051 197 E HA -0.079 4.318 4.350 0.079 0.000 0.189 197 E C 1.833 178.274 176.600 -0.265 0.000 0.979 197 E CA 1.352 57.463 56.400 -0.481 0.000 0.803 197 E CB 0.013 29.151 29.700 -0.937 0.000 0.761 197 E HN 0.346 nan 8.360 nan 0.000 0.451 198 Y N -0.624 119.626 120.300 -0.084 0.000 2.524 198 Y HA 0.230 4.827 4.550 0.079 0.000 0.270 198 Y C 1.946 177.809 175.900 -0.062 0.000 1.094 198 Y CA 0.073 58.124 58.100 -0.082 0.000 1.276 198 Y CB 0.213 38.602 38.460 -0.118 0.000 1.130 198 Y HN -0.135 nan 8.280 nan 0.000 0.536 199 S N 0.011 115.763 115.700 0.086 0.000 2.588 199 S HA 0.158 4.675 4.470 0.079 0.000 0.245 199 S C 0.228 174.838 174.600 0.016 0.000 1.021 199 S CA -0.506 57.724 58.200 0.049 0.000 1.006 199 S CB -0.425 62.805 63.200 0.050 0.000 0.830 199 S HN 0.141 nan 8.310 nan 0.000 0.468 200 K N 0.797 121.199 120.400 0.004 0.000 2.447 200 K HA 0.293 4.660 4.320 0.079 0.000 0.281 200 K C 1.168 177.763 176.600 -0.008 0.000 1.031 200 K CA 1.181 57.463 56.287 -0.008 0.000 1.019 200 K CB -0.139 32.351 32.500 -0.016 0.000 0.918 200 K HN 0.329 nan 8.250 nan 0.000 0.476 201 G N 2.192 110.984 108.800 -0.013 0.000 2.166 201 G HA2 -0.258 3.750 3.960 0.079 0.000 0.260 201 G HA3 -0.258 3.750 3.960 0.079 0.000 0.260 201 G C 0.407 175.293 174.900 -0.023 0.000 0.986 201 G CA 0.448 45.534 45.100 -0.023 0.000 0.683 201 G HN 0.454 nan 8.290 nan 0.000 0.527 202 V N 0.071 119.977 119.914 -0.013 0.000 3.050 202 V HA 0.262 4.430 4.120 0.079 0.000 0.223 202 V C 2.240 178.328 176.094 -0.009 0.000 1.162 202 V CA 2.106 64.398 62.300 -0.012 0.000 1.247 202 V CB 0.446 32.267 31.823 -0.003 0.000 1.125 202 V HN 0.937 nan 8.190 nan 0.000 0.508 203 S N -1.165 114.541 115.700 0.011 0.000 2.578 203 S HA 0.266 4.784 4.470 0.079 0.000 0.231 203 S C 0.349 174.985 174.600 0.060 0.000 0.994 203 S CA -0.173 58.045 58.200 0.029 0.000 0.956 203 S CB 0.396 63.625 63.200 0.048 0.000 0.870 203 S HN 0.434 nan 8.310 nan 0.000 0.494 204 Q N 0.826 120.650 119.800 0.040 0.000 2.315 204 Q HA 0.494 4.881 4.340 0.079 0.000 0.273 204 Q C -2.179 173.836 176.000 0.025 0.000 1.053 204 Q CA -0.535 55.306 55.803 0.062 0.000 0.817 204 Q CB 2.092 30.853 28.738 0.039 0.000 1.326 204 Q HN 0.456 nan 8.270 nan 0.000 0.423 205 L N 5.474 126.714 121.223 0.029 0.000 2.372 205 L HA 0.478 4.865 4.340 0.079 0.000 0.273 205 L C -2.397 174.479 176.870 0.010 0.000 0.989 205 L CA -1.832 53.006 54.840 -0.003 0.000 0.841 205 L CB 2.374 44.413 42.059 -0.034 0.000 1.225 205 L HN 0.377 nan 8.230 nan 0.000 0.414 206 P HA 0.320 nan 4.420 nan 0.000 0.279 206 P C -1.015 176.281 177.300 -0.007 0.000 1.239 206 P CA -0.169 62.936 63.100 0.008 0.000 0.789 206 P CB 0.956 32.654 31.700 -0.002 0.000 0.933 207 L N 3.072 124.297 121.223 0.004 0.000 2.333 207 L HA 0.509 4.897 4.340 0.079 0.000 0.269 207 L C 1.930 178.764 176.870 -0.060 0.000 1.010 207 L CA -1.011 53.809 54.840 -0.033 0.000 0.818 207 L CB 1.848 43.917 42.059 0.016 0.000 1.306 207 L HN 0.318 nan 8.230 nan 0.000 0.430 208 R N 1.375 121.781 120.500 -0.157 0.000 2.092 208 R HA -0.078 4.310 4.340 0.079 0.000 0.231 208 R C -0.209 176.069 176.300 -0.036 0.000 1.119 208 R CA 1.425 57.448 56.100 -0.128 0.000 0.970 208 R CB -0.638 29.555 30.300 -0.179 0.000 0.864 208 R HN 0.663 nan 8.270 nan 0.000 0.440 209 Y N -4.043 116.269 120.300 0.021 0.000 2.788 209 Y HA 0.695 5.289 4.550 0.073 0.000 0.335 209 Y C 0.419 176.285 175.900 -0.056 0.000 1.287 209 Y CA -1.218 56.866 58.100 -0.026 0.000 1.068 209 Y CB 0.194 38.629 38.460 -0.042 0.000 1.340 209 Y HN -0.006 nan 8.280 nan 0.000 0.449 210 G N 0.295 109.154 108.800 0.100 0.000 3.086 210 G HA2 0.218 4.225 3.960 0.079 0.000 0.159 210 G HA3 0.218 4.225 3.960 0.079 0.000 0.159 210 G C 0.537 175.252 174.900 -0.308 0.000 1.654 210 G CA 0.011 44.872 45.100 -0.397 0.000 1.078 210 G HN 0.733 nan 8.290 nan 0.000 0.558 211 M N 0.140 119.410 119.600 -0.551 0.000 2.149 211 M HA 0.041 4.568 4.480 0.079 0.000 0.261 211 M C 0.319 176.614 176.300 -0.008 0.000 1.064 211 M CA 1.158 56.354 55.300 -0.173 0.000 1.102 211 M CB -0.188 32.323 32.600 -0.149 0.000 1.369 211 M HN 0.309 nan 8.290 nan 0.000 0.408 212 N N -2.009 116.619 118.700 -0.121 0.000 2.357 212 N HA 0.261 5.048 4.740 0.079 0.000 0.284 212 N C -2.411 172.805 175.510 -0.489 0.000 1.236 212 N CA -1.251 51.700 53.050 -0.165 0.000 0.774 212 N CB 1.348 39.832 38.487 -0.005 0.000 1.534 212 N HN -0.267 nan 8.380 nan 0.000 0.478 213 P HA -0.178 nan 4.420 nan 0.000 0.217 213 P C 0.975 178.051 177.300 -0.373 0.000 1.148 213 P CA 1.499 63.978 63.100 -1.035 0.000 0.834 213 P CB -0.095 31.262 31.700 -0.572 0.000 0.783 214 H N -1.700 117.221 119.070 -0.249 0.000 2.547 214 H HA 0.149 4.754 4.556 0.082 0.000 0.266 214 H C 0.137 175.419 175.328 -0.078 0.000 0.988 214 H CA 0.273 56.248 56.048 -0.122 0.000 1.147 214 H CB -0.519 29.190 29.762 -0.089 0.000 1.365 214 H HN 0.212 nan 8.280 nan 0.000 0.589 215 Q N 2.044 121.556 119.800 -0.480 0.000 2.509 215 Q HA 0.347 4.735 4.340 0.079 0.000 0.236 215 Q C -0.595 175.332 176.000 -0.122 0.000 1.073 215 Q CA -0.528 55.065 55.803 -0.349 0.000 0.867 215 Q CB 1.376 29.853 28.738 -0.435 0.000 1.181 215 Q HN 0.488 nan 8.270 nan 0.000 0.526 216 S N 0.762 116.432 115.700 -0.049 0.000 2.607 216 S HA 0.788 5.306 4.470 0.079 0.000 0.273 216 S C -2.429 172.177 174.600 0.010 0.000 1.148 216 S CA -1.203 57.008 58.200 0.019 0.000 0.833 216 S CB 1.138 64.387 63.200 0.082 0.000 1.130 216 S HN 0.339 nan 8.310 nan 0.000 0.470 217 P HA 0.778 nan 4.420 nan 0.000 0.277 217 P C -0.966 176.359 177.300 0.043 0.000 1.271 217 P CA -0.545 62.578 63.100 0.039 0.000 0.795 217 P CB 0.601 32.323 31.700 0.037 0.000 1.101 218 A N 0.086 122.945 122.820 0.066 0.000 2.587 218 A HA 0.666 5.034 4.320 0.079 0.000 0.293 218 A C -1.303 176.362 177.584 0.134 0.000 1.087 218 A CA -0.556 51.548 52.037 0.112 0.000 0.692 218 A CB 1.839 20.910 19.000 0.120 0.000 1.291 218 A HN 0.764 nan 8.150 nan 0.000 0.407 219 Q N 0.247 120.157 119.800 0.183 0.000 2.472 219 Q HA 0.694 5.082 4.340 0.079 0.000 0.281 219 Q C -2.058 174.012 176.000 0.118 0.000 0.997 219 Q CA -0.840 55.049 55.803 0.144 0.000 0.828 219 Q CB 1.583 30.419 28.738 0.162 0.000 1.443 219 Q HN 0.845 nan 8.270 nan 0.000 0.390 220 L N 3.145 124.393 121.223 0.042 0.000 2.309 220 L HA 0.688 5.075 4.340 0.079 0.000 0.282 220 L C -1.493 175.410 176.870 0.054 0.000 1.036 220 L CA -0.205 54.607 54.840 -0.047 0.000 0.806 220 L CB 1.049 43.038 42.059 -0.117 0.000 1.220 220 L HN 0.741 nan 8.230 nan 0.000 0.429 221 Y N 1.256 121.535 120.300 -0.035 0.000 2.689 221 Y HA 0.820 5.427 4.550 0.095 0.000 0.333 221 Y C -0.999 174.884 175.900 -0.027 0.000 1.190 221 Y CA -1.061 57.022 58.100 -0.028 0.000 1.063 221 Y CB 1.380 39.837 38.460 -0.004 0.000 1.294 221 Y HN 0.599 nan 8.280 nan 0.000 0.466 222 T N -0.252 114.459 114.554 0.261 0.000 2.903 222 T HA 0.369 4.766 4.350 0.079 0.000 0.299 222 T C 0.443 175.311 174.700 0.281 0.000 1.093 222 T CA -0.012 62.196 62.100 0.180 0.000 1.002 222 T CB 1.308 70.205 68.868 0.049 0.000 1.127 222 T HN 1.039 nan 8.240 nan 0.000 0.488 223 T N 0.771 115.460 114.554 0.224 0.000 3.100 223 T HA 0.275 4.672 4.350 0.079 0.000 0.253 223 T C 0.884 175.648 174.700 0.107 0.000 1.118 223 T CA 0.001 62.199 62.100 0.163 0.000 1.058 223 T CB -0.069 68.889 68.868 0.150 0.000 0.953 223 T HN 0.471 nan 8.240 nan 0.000 0.515 224 R N 1.724 122.286 120.500 0.104 0.000 2.707 224 R HA 0.239 4.626 4.340 0.079 0.000 0.270 224 R C -1.689 174.648 176.300 0.062 0.000 1.083 224 R CA -1.700 54.449 56.100 0.082 0.000 1.182 224 R CB -0.142 30.219 30.300 0.102 0.000 1.084 224 R HN 0.068 nan 8.270 nan 0.000 0.528 225 P HA -0.073 nan 4.420 nan 0.000 0.226 225 P C -0.453 176.859 177.300 0.020 0.000 1.153 225 P CA 1.229 64.348 63.100 0.030 0.000 0.777 225 P CB 0.334 32.047 31.700 0.021 0.000 0.794 226 K N -0.908 119.501 120.400 0.015 0.000 2.523 226 K HA 0.366 4.734 4.320 0.079 0.000 0.257 226 K C -1.307 175.270 176.600 -0.040 0.000 0.932 226 K CA -0.637 55.644 56.287 -0.010 0.000 0.812 226 K CB 0.823 33.314 32.500 -0.016 0.000 1.326 226 K HN -0.226 nan 8.250 nan 0.000 0.433 227 L N 5.692 126.874 121.223 -0.069 0.000 2.453 227 L HA 0.263 4.650 4.340 0.079 0.000 0.272 227 L C -1.257 175.491 176.870 -0.204 0.000 1.182 227 L CA -1.207 53.546 54.840 -0.145 0.000 0.858 227 L CB 0.785 42.764 42.059 -0.133 0.000 1.120 227 L HN 0.699 nan 8.230 nan 0.000 0.474 228 P HA -0.057 nan 4.420 nan 0.000 0.241 228 P C 0.013 177.111 177.300 -0.337 0.000 1.191 228 P CA 0.692 63.573 63.100 -0.364 0.000 0.771 228 P CB 0.372 31.651 31.700 -0.703 0.000 0.929 229 L N 0.151 121.182 121.223 -0.320 0.000 2.276 229 L HA 0.433 4.820 4.340 0.079 0.000 0.286 229 L C -0.823 175.933 176.870 -0.190 0.000 1.024 229 L CA -0.193 54.477 54.840 -0.283 0.000 0.826 229 L CB 1.399 43.278 42.059 -0.300 0.000 1.211 229 L HN -0.279 nan 8.230 nan 0.000 0.422 230 T N 3.810 118.271 114.554 -0.155 0.000 2.823 230 T HA 0.397 4.794 4.350 0.079 0.000 0.279 230 T C -0.442 174.209 174.700 -0.083 0.000 0.998 230 T CA -0.323 61.715 62.100 -0.103 0.000 0.994 230 T CB 1.794 70.612 68.868 -0.082 0.000 0.960 230 T HN 0.281 nan 8.240 nan 0.000 0.448 231 V N 4.938 124.808 119.914 -0.075 0.000 2.408 231 V HA 0.135 4.302 4.120 0.079 0.000 0.267 231 V C 1.062 177.115 176.094 -0.068 0.000 1.047 231 V CA -0.042 62.215 62.300 -0.071 0.000 0.937 231 V CB 1.019 32.801 31.823 -0.069 0.000 0.999 231 V HN 0.846 nan 8.190 nan 0.000 0.472 232 V N 3.852 123.716 119.914 -0.083 0.000 2.795 232 V HA 0.181 4.348 4.120 0.079 0.000 0.243 232 V C 0.660 176.688 176.094 -0.110 0.000 1.069 232 V CA 0.704 62.947 62.300 -0.095 0.000 1.089 232 V CB -0.179 31.569 31.823 -0.125 0.000 0.756 232 V HN 0.873 nan 8.190 nan 0.000 0.471 233 N N -1.482 117.140 118.700 -0.130 0.000 2.329 233 N HA 0.551 5.338 4.740 0.079 0.000 0.282 233 N C -0.001 175.446 175.510 -0.105 0.000 1.198 233 N CA 0.689 53.673 53.050 -0.110 0.000 0.790 233 N CB 2.034 40.450 38.487 -0.117 0.000 1.579 233 N HN 0.406 nan 8.380 nan 0.000 0.475 234 G N 0.898 109.655 108.800 -0.072 0.000 2.552 234 G HA2 -0.060 3.947 3.960 0.079 0.000 0.265 234 G HA3 -0.060 3.947 3.960 0.079 0.000 0.265 234 G C -0.695 174.167 174.900 -0.063 0.000 1.234 234 G CA 0.097 45.159 45.100 -0.064 0.000 0.944 234 G HN 1.324 nan 8.290 nan 0.000 0.568 235 S N 1.077 116.740 115.700 -0.062 0.000 2.481 235 S HA 0.582 5.100 4.470 0.079 0.000 0.262 235 S C -2.661 171.908 174.600 -0.051 0.000 1.061 235 S CA 0.209 58.376 58.200 -0.055 0.000 1.039 235 S CB 1.584 64.756 63.200 -0.048 0.000 1.170 235 S HN 0.894 nan 8.310 nan 0.000 0.437 236 P HA 0.491 nan 4.420 nan 0.000 0.277 236 P C 0.409 177.669 177.300 -0.066 0.000 1.240 236 P CA -0.201 62.876 63.100 -0.037 0.000 0.798 236 P CB 0.896 32.562 31.700 -0.057 0.000 0.979 237 G N 0.043 108.811 108.800 -0.053 0.000 2.568 237 G HA2 0.257 4.264 3.960 0.079 0.000 0.293 237 G HA3 0.257 4.264 3.960 0.079 0.000 0.293 237 G C 0.190 175.089 174.900 -0.002 0.000 1.347 237 G CA -0.741 44.321 45.100 -0.063 0.000 1.039 237 G HN 0.416 nan 8.290 nan 0.000 0.523 238 F N -0.075 119.819 119.950 -0.093 0.000 2.075 238 F HA -0.093 4.454 4.527 0.033 0.000 0.297 238 F C 2.548 178.324 175.800 -0.040 0.000 1.113 238 F CA 1.408 59.379 58.000 -0.050 0.000 1.218 238 F CB 0.131 39.136 39.000 0.007 0.000 0.984 238 F HN 0.109 nan 8.300 nan 0.000 0.472 239 I N 0.593 121.319 120.570 0.260 0.000 2.226 239 I HA -0.312 3.905 4.170 0.079 0.000 0.245 239 I C 1.905 177.997 176.117 -0.043 0.000 1.100 239 I CA 1.508 62.893 61.300 0.141 0.000 1.374 239 I CB -1.947 36.160 38.000 0.179 0.000 1.057 239 I HN 0.295 nan 8.210 nan 0.000 0.413 240 N N 1.061 119.717 118.700 -0.074 0.000 2.091 240 N HA -0.209 4.578 4.740 0.079 0.000 0.193 240 N C 1.967 177.121 175.510 -0.594 0.000 1.021 240 N CA 1.129 54.014 53.050 -0.275 0.000 0.862 240 N CB -0.218 38.197 38.487 -0.120 0.000 1.018 240 N HN 0.306 nan 8.380 nan 0.000 0.429 241 L N 0.240 121.214 121.223 -0.417 0.000 2.072 241 L HA -0.130 4.257 4.340 0.079 0.000 0.205 241 L C 2.431 179.067 176.870 -0.389 0.000 1.079 241 L CA 0.612 55.187 54.840 -0.442 0.000 0.752 241 L CB -0.466 41.360 42.059 -0.388 0.000 0.906 241 L HN 0.368 nan 8.230 nan 0.000 0.436 242 C N -0.022 119.082 119.300 -0.326 0.000 2.401 242 C HA -0.207 4.301 4.460 0.079 0.000 0.276 242 C C 2.484 177.400 174.990 -0.124 0.000 1.233 242 C CA 0.793 59.705 59.018 -0.178 0.000 1.753 242 C CB -0.795 26.911 27.740 -0.058 0.000 2.029 242 C HN 0.558 nan 8.230 nan 0.000 0.478 243 D N 0.590 120.888 120.400 -0.169 0.000 2.084 243 D HA -0.058 4.630 4.640 0.079 0.000 0.196 243 D C 2.374 178.408 176.300 -0.443 0.000 0.985 243 D CA 1.672 55.593 54.000 -0.131 0.000 0.826 243 D CB -0.620 40.165 40.800 -0.025 0.000 0.978 243 D HN 0.471 nan 8.370 nan 0.000 0.456 244 A N 1.062 123.471 122.820 -0.685 0.000 1.892 244 A HA -0.179 4.189 4.320 0.079 0.000 0.218 244 A C 2.420 179.827 177.584 -0.294 0.000 1.188 244 A CA 1.296 52.988 52.037 -0.574 0.000 0.631 244 A CB -0.934 17.608 19.000 -0.763 0.000 0.822 244 A HN 0.226 nan 8.150 nan 0.000 0.447 245 L N -0.572 120.489 121.223 -0.269 0.000 2.240 245 L HA -0.091 4.297 4.340 0.079 0.000 0.211 245 L C 2.223 179.023 176.870 -0.116 0.000 1.106 245 L CA 0.676 55.438 54.840 -0.130 0.000 0.793 245 L CB -0.411 41.573 42.059 -0.125 0.000 0.927 245 L HN 0.423 nan 8.230 nan 0.000 0.446 246 N N 0.100 118.664 118.700 -0.226 0.000 2.251 246 N HA -0.039 4.748 4.740 0.079 0.000 0.181 246 N C 1.935 177.059 175.510 -0.643 0.000 1.019 246 N CA 1.240 54.130 53.050 -0.267 0.000 0.862 246 N CB 0.093 38.618 38.487 0.063 0.000 0.992 246 N HN 0.252 nan 8.380 nan 0.000 0.429 247 A N 1.662 123.887 122.820 -0.992 0.000 1.898 247 A HA -0.151 4.216 4.320 0.079 0.000 0.216 247 A C 2.006 179.390 177.584 -0.332 0.000 1.181 247 A CA 0.802 52.303 52.037 -0.893 0.000 0.620 247 A CB -1.110 17.409 19.000 -0.801 0.000 0.819 247 A HN 0.582 nan 8.150 nan 0.000 0.442 248 W N 0.844 121.931 121.300 -0.355 0.000 2.317 248 W HA -0.285 4.418 4.660 0.071 0.000 0.318 248 W C 2.073 178.441 176.519 -0.252 0.000 1.227 248 W CA 2.138 59.347 57.345 -0.225 0.000 1.269 248 W CB -0.397 28.959 29.460 -0.174 0.000 1.155 248 W HN 0.510 nan 8.180 nan 0.000 0.484 249 Q N 0.521 120.047 119.800 -0.457 0.000 2.096 249 Q HA -0.259 4.128 4.340 0.079 0.000 0.204 249 Q C 2.496 178.053 176.000 -0.738 0.000 0.982 249 Q CA 2.040 57.463 55.803 -0.633 0.000 0.850 249 Q CB -0.658 27.713 28.738 -0.611 0.000 0.901 249 Q HN 0.421 nan 8.270 nan 0.000 0.422 250 L N 0.715 121.447 121.223 -0.818 0.000 1.989 250 L HA -0.197 4.191 4.340 0.079 0.000 0.211 250 L C 2.405 179.111 176.870 -0.273 0.000 1.071 250 L CA 1.606 56.177 54.840 -0.448 0.000 0.749 250 L CB -0.355 41.606 42.059 -0.164 0.000 0.890 250 L HN 0.262 nan 8.230 nan 0.000 0.431 251 V N -2.550 117.180 119.914 -0.307 0.000 2.427 251 V HA -0.255 3.912 4.120 0.079 0.000 0.248 251 V C 2.507 178.362 176.094 -0.398 0.000 1.051 251 V CA 1.994 64.134 62.300 -0.266 0.000 1.048 251 V CB -0.884 30.831 31.823 -0.181 0.000 0.666 251 V HN 0.487 nan 8.190 nan 0.000 0.456 252 K N 0.408 120.394 120.400 -0.690 0.000 2.026 252 K HA -0.217 4.150 4.320 0.079 0.000 0.208 252 K C 2.259 178.659 176.600 -0.333 0.000 1.048 252 K CA 2.157 58.047 56.287 -0.660 0.000 0.929 252 K CB -0.223 31.706 32.500 -0.952 0.000 0.713 252 K HN 0.672 nan 8.250 nan 0.000 0.439 253 E N 0.500 120.542 120.200 -0.262 0.000 2.150 253 E HA -0.154 4.243 4.350 0.079 0.000 0.193 253 E C 2.089 178.640 176.600 -0.082 0.000 0.985 253 E CA 0.762 57.090 56.400 -0.120 0.000 0.814 253 E CB 0.048 29.730 29.700 -0.029 0.000 0.752 253 E HN 0.305 nan 8.360 nan 0.000 0.466 254 L N 0.904 122.074 121.223 -0.088 0.000 2.027 254 L HA -0.180 4.207 4.340 0.079 0.000 0.206 254 L C 2.653 179.490 176.870 -0.054 0.000 1.074 254 L CA 1.141 55.953 54.840 -0.046 0.000 0.745 254 L CB -0.303 41.737 42.059 -0.031 0.000 0.898 254 L HN 0.064 nan 8.230 nan 0.000 0.433 255 K N -0.022 120.326 120.400 -0.087 0.000 2.044 255 K HA -0.261 4.106 4.320 0.079 0.000 0.210 255 K C 2.066 178.630 176.600 -0.060 0.000 1.049 255 K CA 1.840 58.084 56.287 -0.073 0.000 0.927 255 K CB -0.032 32.408 32.500 -0.100 0.000 0.713 255 K HN 0.422 nan 8.250 nan 0.000 0.443 256 Q N -0.590 119.165 119.800 -0.075 0.000 2.079 256 Q HA -0.115 4.272 4.340 0.079 0.000 0.200 256 Q C 2.100 178.074 176.000 -0.043 0.000 0.974 256 Q CA 1.356 57.124 55.803 -0.058 0.000 0.840 256 Q CB -0.108 28.591 28.738 -0.066 0.000 0.898 256 Q HN 0.372 nan 8.270 nan 0.000 0.430 257 A N 0.630 123.426 122.820 -0.040 0.000 1.929 257 A HA -0.043 4.324 4.320 0.079 0.000 0.216 257 A C 1.839 179.412 177.584 -0.018 0.000 1.176 257 A CA 0.994 53.013 52.037 -0.030 0.000 0.628 257 A CB -0.106 18.881 19.000 -0.022 0.000 0.816 257 A HN 0.278 nan 8.150 nan 0.000 0.444 258 L N -2.092 119.121 121.223 -0.015 0.000 2.817 258 L HA 0.298 4.685 4.340 0.079 0.000 0.248 258 L C 1.544 178.410 176.870 -0.008 0.000 1.133 258 L CA 0.390 55.227 54.840 -0.006 0.000 0.935 258 L CB 0.194 42.255 42.059 0.003 0.000 1.266 258 L HN 0.480 nan 8.230 nan 0.000 0.535 259 G N 1.747 110.538 108.800 -0.015 0.000 2.233 259 G HA2 -0.299 3.708 3.960 0.079 0.000 0.270 259 G HA3 -0.299 3.708 3.960 0.079 0.000 0.270 259 G C 0.162 175.058 174.900 -0.007 0.000 1.011 259 G CA 0.568 45.660 45.100 -0.013 0.000 0.762 259 G HN 0.358 nan 8.290 nan 0.000 0.511 260 I N 0.092 120.660 120.570 -0.005 0.000 2.474 260 I HA 0.350 4.567 4.170 0.079 0.000 0.294 260 I C -2.150 173.968 176.117 0.002 0.000 1.005 260 I CA -2.828 58.475 61.300 0.004 0.000 1.113 260 I CB 2.131 40.139 38.000 0.012 0.000 1.289 260 I HN -0.217 nan 8.210 nan 0.000 0.436 261 P HA 0.084 nan 4.420 nan 0.000 0.265 261 P C -0.984 176.328 177.300 0.021 0.000 1.187 261 P CA 0.079 63.185 63.100 0.010 0.000 0.766 261 P CB 0.573 32.286 31.700 0.022 0.000 0.820 262 A N 1.876 124.705 122.820 0.014 0.000 2.435 262 A HA 0.831 5.198 4.320 0.079 0.000 0.304 262 A C -1.066 176.551 177.584 0.055 0.000 1.064 262 A CA -0.421 51.631 52.037 0.026 0.000 0.727 262 A CB 1.781 20.774 19.000 -0.011 0.000 1.284 262 A HN 0.528 nan 8.150 nan 0.000 0.415 263 A N 0.085 122.968 122.820 0.105 0.000 2.479 263 A HA 1.026 5.393 4.320 0.079 0.000 0.296 263 A C -0.321 177.379 177.584 0.193 0.000 1.121 263 A CA -0.124 52.018 52.037 0.176 0.000 0.743 263 A CB 1.568 20.747 19.000 0.299 0.000 1.323 263 A HN 2.596 nan 8.150 nan 0.000 0.415 264 A N -0.286 122.687 122.820 0.257 0.000 2.572 264 A HA 0.800 5.167 4.320 0.079 0.000 0.295 264 A C -0.612 177.217 177.584 0.409 0.000 1.072 264 A CA 0.010 52.232 52.037 0.309 0.000 0.691 264 A CB 1.443 20.639 19.000 0.327 0.000 1.291 264 A HN 1.783 nan 8.150 nan 0.000 0.404 265 S N 0.712 116.656 115.700 0.405 0.000 2.596 265 S HA 0.756 5.274 4.470 0.079 0.000 0.318 265 S C -1.603 173.255 174.600 0.431 0.000 1.097 265 S CA -0.260 58.187 58.200 0.412 0.000 1.080 265 S CB -0.045 63.329 63.200 0.289 0.000 0.991 265 S HN 0.483 nan 8.310 nan 0.000 0.471 266 F N 3.822 123.904 119.950 0.221 0.000 2.508 266 F HA 0.669 5.237 4.527 0.068 0.000 0.325 266 F C 0.393 176.305 175.800 0.187 0.000 1.090 266 F CA -0.622 57.496 58.000 0.197 0.000 0.945 266 F CB 1.801 40.917 39.000 0.194 0.000 1.156 266 F HN 0.344 nan 8.300 nan 0.000 0.463 267 K N 2.271 122.792 120.400 0.201 0.000 2.525 267 K HA 0.240 4.607 4.320 0.079 0.000 0.254 267 K C -0.609 176.094 176.600 0.171 0.000 0.934 267 K CA -0.713 55.671 56.287 0.161 0.000 0.802 267 K CB 1.748 34.343 32.500 0.158 0.000 1.295 267 K HN 0.670 nan 8.250 nan 0.000 0.433 268 H N 1.016 120.191 119.070 0.175 0.000 2.655 268 H HA -0.150 4.449 4.556 0.073 0.000 0.313 268 H C 0.175 175.594 175.328 0.153 0.000 1.141 268 H CA 1.093 57.231 56.048 0.150 0.000 1.138 268 H CB -1.356 28.475 29.762 0.114 0.000 1.446 268 H HN 0.563 nan 8.280 nan 0.000 0.415 269 V N -2.027 118.070 119.914 0.305 0.000 4.294 269 V HA -0.293 3.874 4.120 0.079 0.000 0.246 269 V C 0.626 176.871 176.094 0.253 0.000 0.416 269 V CA 1.519 64.045 62.300 0.377 0.000 0.887 269 V CB -1.950 30.045 31.823 0.287 0.000 0.922 269 V HN 0.558 nan 8.190 nan 0.000 1.323 270 S N 0.250 115.887 115.700 -0.105 0.000 2.569 270 S HA 0.715 5.233 4.470 0.079 0.000 0.280 270 S C -2.789 171.177 174.600 -1.056 0.000 1.111 270 S CA -1.018 56.928 58.200 -0.425 0.000 0.887 270 S CB 3.174 66.305 63.200 -0.115 0.000 1.095 270 S HN 0.234 nan 8.310 nan 0.000 0.476 271 P HA 0.256 nan 4.420 nan 0.000 0.276 271 P C -0.154 177.001 177.300 -0.242 0.000 1.230 271 P CA -0.198 62.452 63.100 -0.751 0.000 0.776 271 P CB 0.799 32.331 31.700 -0.281 0.000 0.888 272 A N 2.973 125.748 122.820 -0.075 0.000 2.081 272 A HA 0.437 4.804 4.320 0.079 0.000 0.214 272 A C 1.044 178.657 177.584 0.047 0.000 1.158 272 A CA 1.277 53.330 52.037 0.027 0.000 0.724 272 A CB -0.545 18.509 19.000 0.091 0.000 0.826 272 A HN 0.683 nan 8.150 nan 0.000 0.463 273 G N -2.834 106.003 108.800 0.063 0.000 2.547 273 G HA2 0.675 4.682 3.960 0.079 0.000 0.291 273 G HA3 0.675 4.682 3.960 0.079 0.000 0.291 273 G C -1.309 173.657 174.900 0.110 0.000 1.471 273 G CA 0.158 45.300 45.100 0.070 0.000 0.798 273 G HN 1.343 nan 8.290 nan 0.000 0.504 274 A N -1.027 121.846 122.820 0.089 0.000 2.583 274 A HA 1.072 5.440 4.320 0.079 0.000 0.298 274 A C -0.540 177.089 177.584 0.074 0.000 1.055 274 A CA 0.414 52.519 52.037 0.114 0.000 0.714 274 A CB 1.073 20.153 19.000 0.133 0.000 1.277 274 A HN 2.668 nan 8.150 nan 0.000 0.406 275 A N 0.453 123.321 122.820 0.080 0.000 2.597 275 A HA 0.817 5.184 4.320 0.079 0.000 0.292 275 A C -0.499 177.121 177.584 0.061 0.000 1.057 275 A CA 0.034 52.108 52.037 0.062 0.000 0.674 275 A CB 0.500 19.538 19.000 0.064 0.000 1.278 275 A HN 2.306 nan 8.150 nan 0.000 0.416 276 V N -0.766 119.178 119.914 0.049 0.000 2.973 276 V HA 0.835 5.002 4.120 0.079 0.000 0.314 276 V C 0.892 177.020 176.094 0.056 0.000 1.066 276 V CA -0.059 62.267 62.300 0.044 0.000 1.021 276 V CB 1.447 33.288 31.823 0.030 0.000 1.076 276 V HN 1.750 nan 8.190 nan 0.000 0.462 277 G N 3.017 111.849 108.800 0.053 0.000 3.197 277 G HA2 0.320 4.327 3.960 0.079 0.000 0.257 277 G HA3 0.320 4.327 3.960 0.079 0.000 0.257 277 G C 0.145 175.080 174.900 0.059 0.000 0.835 277 G CA -0.323 44.814 45.100 0.062 0.000 2.001 277 G HN 0.500 nan 8.290 nan 0.000 0.625 278 I N 2.245 122.856 120.570 0.067 0.000 2.556 278 I HA 0.175 4.393 4.170 0.079 0.000 0.284 278 I C -1.681 174.490 176.117 0.089 0.000 1.114 278 I CA -3.188 58.155 61.300 0.071 0.000 1.418 278 I CB 0.630 38.675 38.000 0.074 0.000 1.394 278 I HN 0.157 nan 8.210 nan 0.000 0.552 279 P HA 0.151 nan 4.420 nan 0.000 0.269 279 P C -0.697 176.690 177.300 0.145 0.000 1.215 279 P CA -0.384 62.773 63.100 0.094 0.000 0.780 279 P CB 0.745 32.484 31.700 0.066 0.000 0.898 280 L N 1.774 123.116 121.223 0.199 0.000 2.307 280 L HA 0.244 4.631 4.340 0.079 0.000 0.282 280 L C 1.259 178.319 176.870 0.316 0.000 1.051 280 L CA -0.010 54.979 54.840 0.248 0.000 0.804 280 L CB 0.745 42.953 42.059 0.248 0.000 1.197 280 L HN 0.425 nan 8.230 nan 0.000 0.431 281 S N 0.952 116.778 115.700 0.209 0.000 2.580 281 S HA 0.002 4.519 4.470 0.079 0.000 0.261 281 S C 0.995 175.581 174.600 -0.025 0.000 1.366 281 S CA -0.136 58.154 58.200 0.151 0.000 0.996 281 S CB 0.438 63.720 63.200 0.137 0.000 0.902 281 S HN 0.758 nan 8.310 nan 0.000 0.566 282 E N 0.380 120.512 120.200 -0.114 0.000 2.150 282 E HA -0.192 4.206 4.350 0.079 0.000 0.193 282 E C 2.062 178.605 176.600 -0.095 0.000 0.985 282 E CA 1.247 57.452 56.400 -0.324 0.000 0.814 282 E CB -0.121 29.531 29.700 -0.080 0.000 0.752 282 E HN 0.902 nan 8.360 nan 0.000 0.466 283 E N 0.613 120.802 120.200 -0.018 0.000 2.072 283 E HA -0.256 4.141 4.350 0.079 0.000 0.191 283 E C 1.931 178.519 176.600 -0.020 0.000 0.985 283 E CA 1.347 57.742 56.400 -0.008 0.000 0.801 283 E CB -0.030 29.695 29.700 0.041 0.000 0.750 283 E HN 0.049 nan 8.360 nan 0.000 0.452 284 E N 0.615 120.843 120.200 0.046 0.000 2.150 284 E HA -0.095 4.302 4.350 0.079 0.000 0.193 284 E C 1.773 178.396 176.600 0.038 0.000 0.985 284 E CA 1.382 57.831 56.400 0.080 0.000 0.814 284 E CB -0.308 29.524 29.700 0.219 0.000 0.752 284 E HN 0.398 nan 8.360 nan 0.000 0.466 285 A N 0.431 123.253 122.820 0.005 0.000 1.902 285 A HA -0.252 4.115 4.320 0.079 0.000 0.217 285 A C 2.221 179.826 177.584 0.035 0.000 1.181 285 A CA 1.728 53.774 52.037 0.014 0.000 0.623 285 A CB -0.682 18.236 19.000 -0.137 0.000 0.818 285 A HN 0.381 nan 8.150 nan 0.000 0.443 286 Q N -0.434 119.377 119.800 0.019 0.000 2.077 286 Q HA -0.170 4.217 4.340 0.079 0.000 0.206 286 Q C 2.092 178.049 176.000 -0.071 0.000 0.989 286 Q CA 2.142 57.926 55.803 -0.031 0.000 0.853 286 Q CB -0.267 28.405 28.738 -0.109 0.000 0.907 286 Q HN 0.483 nan 8.270 nan 0.000 0.418 287 V N -0.371 119.469 119.914 -0.124 0.000 2.407 287 V HA -0.285 3.883 4.120 0.079 0.000 0.248 287 V C 2.032 178.085 176.094 -0.067 0.000 1.055 287 V CA 1.446 63.633 62.300 -0.188 0.000 1.049 287 V CB -0.359 31.199 31.823 -0.442 0.000 0.662 287 V HN 0.497 nan 8.190 nan 0.000 0.455 288 C N 0.530 119.829 119.300 -0.001 0.000 2.613 288 C HA 0.237 4.744 4.460 0.079 0.000 0.273 288 C C 1.341 176.343 174.990 0.020 0.000 1.304 288 C CA -0.458 58.583 59.018 0.037 0.000 1.702 288 C CB -1.346 26.439 27.740 0.074 0.000 1.792 288 C HN 0.675 nan 8.230 nan 0.000 0.588 289 M N -0.753 118.851 119.600 0.006 0.000 2.537 289 M HA -0.132 4.395 4.480 0.079 0.000 0.205 289 M C 0.367 176.685 176.300 0.031 0.000 0.450 289 M CA 0.788 56.089 55.300 0.002 0.000 0.553 289 M CB -2.495 30.094 32.600 -0.018 0.000 2.046 289 M HN 0.463 nan 8.290 nan 0.000 0.797 290 V N -4.143 115.807 119.914 0.060 0.000 3.017 290 V HA 0.234 4.401 4.120 0.079 0.000 0.354 290 V C 1.715 177.866 176.094 0.095 0.000 1.389 290 V CA 0.312 62.657 62.300 0.074 0.000 1.163 290 V CB -0.034 31.837 31.823 0.081 0.000 1.178 290 V HN 0.595 nan 8.190 nan 0.000 0.547 291 H N 3.346 122.422 119.070 0.010 0.000 2.352 291 H HA -0.181 4.422 4.556 0.078 0.000 0.299 291 H C 1.865 177.224 175.328 0.052 0.000 1.097 291 H CA 2.637 58.686 56.048 0.002 0.000 1.311 291 H CB 0.060 29.798 29.762 -0.040 0.000 1.377 291 H HN 0.758 nan 8.280 nan 0.000 0.504 292 D N 0.579 121.028 120.400 0.080 0.000 2.309 292 D HA -0.142 4.545 4.640 0.079 0.000 0.212 292 D C 1.960 178.259 176.300 -0.002 0.000 0.968 292 D CA 0.575 54.595 54.000 0.033 0.000 0.882 292 D CB -0.616 40.219 40.800 0.058 0.000 0.918 292 D HN 0.433 nan 8.370 nan 0.000 0.503 293 L N -0.523 120.710 121.223 0.017 0.000 2.607 293 L HA 0.099 4.486 4.340 0.079 0.000 0.228 293 L C 2.367 179.252 176.870 0.025 0.000 1.123 293 L CA -0.227 54.626 54.840 0.022 0.000 0.890 293 L CB -0.440 41.643 42.059 0.040 0.000 1.103 293 L HN 0.107 nan 8.230 nan 0.000 0.468 294 H N 1.877 120.880 119.070 -0.111 0.000 2.353 294 H HA -0.175 4.429 4.556 0.078 0.000 0.298 294 H C 1.478 176.769 175.328 -0.061 0.000 1.103 294 H CA 1.565 57.550 56.048 -0.103 0.000 1.293 294 H CB 0.464 30.100 29.762 -0.210 0.000 1.372 294 H HN 0.296 nan 8.280 nan 0.000 0.501 295 K N -0.015 120.295 120.400 -0.149 0.000 2.486 295 K HA -0.035 4.332 4.320 0.079 0.000 0.194 295 K C 1.792 178.324 176.600 -0.113 0.000 1.033 295 K CA 1.184 57.368 56.287 -0.171 0.000 1.004 295 K CB 0.248 32.697 32.500 -0.085 0.000 0.798 295 K HN 0.413 nan 8.250 nan 0.000 0.495 296 T N -1.874 112.635 114.554 -0.075 0.000 3.023 296 T HA 0.203 4.600 4.350 0.079 0.000 0.253 296 T C 0.714 175.395 174.700 -0.031 0.000 1.038 296 T CA -0.359 61.716 62.100 -0.041 0.000 0.962 296 T CB -0.025 68.833 68.868 -0.017 0.000 1.018 296 T HN -0.066 nan 8.240 nan 0.000 0.521 297 L N 2.622 123.818 121.223 -0.045 0.000 2.499 297 L HA 0.236 4.623 4.340 0.079 0.000 0.273 297 L C 0.682 177.544 176.870 -0.013 0.000 1.195 297 L CA 0.041 54.875 54.840 -0.011 0.000 0.882 297 L CB 0.452 42.515 42.059 0.006 0.000 1.133 297 L HN 0.185 nan 8.230 nan 0.000 0.483 298 T N 4.065 118.627 114.554 0.014 0.000 2.927 298 T HA 0.243 4.641 4.350 0.079 0.000 0.281 298 T C -1.541 173.178 174.700 0.031 0.000 0.998 298 T CA -1.386 60.724 62.100 0.016 0.000 1.019 298 T CB 1.935 70.816 68.868 0.021 0.000 1.061 298 T HN 0.368 nan 8.240 nan 0.000 0.518 299 P HA -0.105 nan 4.420 nan 0.000 0.215 299 P C 1.583 178.916 177.300 0.054 0.000 1.157 299 P CA 0.546 63.669 63.100 0.038 0.000 0.874 299 P CB 0.072 31.789 31.700 0.028 0.000 0.790 300 L N -0.357 120.897 121.223 0.052 0.000 2.012 300 L HA -0.182 4.205 4.340 0.079 0.000 0.210 300 L C 2.233 179.167 176.870 0.107 0.000 1.073 300 L CA 2.283 57.165 54.840 0.069 0.000 0.748 300 L CB -1.580 40.509 42.059 0.050 0.000 0.891 300 L HN -0.103 nan 8.230 nan 0.000 0.431 301 A N -1.767 121.111 122.820 0.098 0.000 1.898 301 A HA -0.175 4.192 4.320 0.079 0.000 0.216 301 A C 2.362 180.028 177.584 0.137 0.000 1.181 301 A CA 1.851 53.965 52.037 0.129 0.000 0.620 301 A CB -0.954 18.102 19.000 0.093 0.000 0.819 301 A HN 0.523 nan 8.150 nan 0.000 0.442 302 S N 0.150 115.913 115.700 0.104 0.000 2.365 302 S HA -0.168 4.349 4.470 0.079 0.000 0.225 302 S C 2.302 176.968 174.600 0.109 0.000 1.039 302 S CA 1.446 59.708 58.200 0.105 0.000 1.033 302 S CB -0.575 62.680 63.200 0.091 0.000 0.887 302 S HN 0.828 nan 8.310 nan 0.000 0.447 303 A N 0.518 123.407 122.820 0.114 0.000 1.883 303 A HA -0.151 4.217 4.320 0.079 0.000 0.217 303 A C 2.021 179.696 177.584 0.151 0.000 1.186 303 A CA 1.786 53.895 52.037 0.119 0.000 0.624 303 A CB -0.999 18.067 19.000 0.111 0.000 0.822 303 A HN 0.575 nan 8.150 nan 0.000 0.444 304 Y N 0.535 120.880 120.300 0.076 0.000 2.242 304 Y HA 0.019 4.616 4.550 0.077 0.000 0.291 304 Y C 2.619 178.574 175.900 0.092 0.000 1.137 304 Y CA 0.803 58.953 58.100 0.083 0.000 1.181 304 Y CB -0.556 37.948 38.460 0.074 0.000 0.989 304 Y HN 0.309 nan 8.280 nan 0.000 0.527 305 A N 0.605 123.397 122.820 -0.047 0.000 1.877 305 A HA -0.177 4.190 4.320 0.079 0.000 0.216 305 A C 2.361 179.905 177.584 -0.067 0.000 1.186 305 A CA 1.733 53.717 52.037 -0.088 0.000 0.620 305 A CB -0.594 18.433 19.000 0.045 0.000 0.822 305 A HN 0.486 nan 8.150 nan 0.000 0.443 306 R N -0.490 120.022 120.500 0.021 0.000 2.081 306 R HA -0.122 4.265 4.340 0.079 0.000 0.235 306 R C 2.701 179.019 176.300 0.030 0.000 1.131 306 R CA 1.566 57.712 56.100 0.076 0.000 0.960 306 R CB -0.452 29.909 30.300 0.103 0.000 0.856 306 R HN 0.623 nan 8.270 nan 0.000 0.436 307 S N 0.695 116.381 115.700 -0.024 0.000 2.356 307 S HA -0.181 4.336 4.470 0.079 0.000 0.223 307 S C 2.009 176.560 174.600 -0.082 0.000 1.032 307 S CA 1.162 59.351 58.200 -0.019 0.000 1.005 307 S CB -0.075 63.162 63.200 0.062 0.000 0.867 307 S HN 0.260 nan 8.310 nan 0.000 0.449 308 R N -0.090 120.227 120.500 -0.306 0.000 2.276 308 R HA 0.063 4.450 4.340 0.079 0.000 0.203 308 R C 2.051 178.320 176.300 -0.052 0.000 1.017 308 R CA 0.837 56.799 56.100 -0.231 0.000 1.010 308 R CB -0.567 29.443 30.300 -0.482 0.000 0.900 308 R HN 0.556 nan 8.270 nan 0.000 0.469 309 G N -0.657 108.144 108.800 0.003 0.000 2.683 309 G HA2 -0.068 3.939 3.960 0.079 0.000 0.213 309 G HA3 -0.068 3.939 3.960 0.079 0.000 0.213 309 G C 1.357 176.411 174.900 0.256 0.000 1.142 309 G CA 0.435 45.609 45.100 0.123 0.000 0.793 309 G HN 0.337 nan 8.290 nan 0.000 0.534 310 A N 0.055 123.000 122.820 0.209 0.000 1.883 310 A HA 0.031 4.398 4.320 0.079 0.000 0.217 310 A C 0.988 178.716 177.584 0.239 0.000 1.186 310 A CA 1.709 53.873 52.037 0.212 0.000 0.624 310 A CB -0.043 18.986 19.000 0.048 0.000 0.822 310 A HN 0.280 nan 8.150 nan 0.000 0.444 311 D N -2.615 117.886 120.400 0.169 0.000 2.365 311 D HA 0.317 5.004 4.640 0.079 0.000 0.235 311 D C 0.757 177.143 176.300 0.142 0.000 1.368 311 D CA -0.495 53.600 54.000 0.158 0.000 1.001 311 D CB 0.647 41.525 40.800 0.131 0.000 1.364 311 D HN 0.038 nan 8.370 nan 0.000 0.577 312 R N 2.671 123.256 120.500 0.142 0.000 2.148 312 R HA 0.003 4.390 4.340 0.079 0.000 0.223 312 R C 1.558 177.962 176.300 0.172 0.000 1.088 312 R CA 0.606 56.789 56.100 0.138 0.000 0.985 312 R CB -0.037 30.333 30.300 0.116 0.000 0.880 312 R HN 0.497 nan 8.270 nan 0.000 0.451 313 M N 0.182 119.871 119.600 0.148 0.000 2.156 313 M HA -0.010 4.517 4.480 0.079 0.000 0.264 313 M C 2.066 178.466 176.300 0.167 0.000 1.067 313 M CA 1.459 56.839 55.300 0.134 0.000 1.131 313 M CB -0.915 31.739 32.600 0.089 0.000 1.368 313 M HN -0.069 nan 8.290 nan 0.000 0.416 314 S N 0.456 116.249 115.700 0.155 0.000 2.414 314 S HA -0.010 4.507 4.470 0.079 0.000 0.227 314 S C 1.937 176.653 174.600 0.193 0.000 1.022 314 S CA 0.844 59.141 58.200 0.161 0.000 0.958 314 S CB -0.105 63.170 63.200 0.126 0.000 0.797 314 S HN 0.421 nan 8.310 nan 0.000 0.493 315 S N 0.942 116.758 115.700 0.192 0.000 2.603 315 S HA 0.211 4.728 4.470 0.079 0.000 0.220 315 S C 0.245 174.975 174.600 0.216 0.000 0.967 315 S CA -0.259 58.056 58.200 0.191 0.000 0.920 315 S CB -0.288 62.999 63.200 0.146 0.000 0.773 315 S HN 0.519 nan 8.310 nan 0.000 0.529 316 F N 2.783 122.795 119.950 0.104 0.000 2.506 316 F HA 0.407 4.980 4.527 0.077 0.000 0.369 316 F C 1.205 177.068 175.800 0.105 0.000 1.114 316 F CA 0.441 58.498 58.000 0.095 0.000 1.121 316 F CB -0.295 38.754 39.000 0.081 0.000 1.104 316 F HN 0.246 nan 8.300 nan 0.000 0.564 317 G N 3.963 112.662 108.800 -0.167 0.000 2.182 317 G HA2 -0.269 3.738 3.960 0.079 0.000 0.248 317 G HA3 -0.269 3.738 3.960 0.079 0.000 0.248 317 G C -0.350 174.607 174.900 0.096 0.000 1.042 317 G CA -0.014 45.057 45.100 -0.049 0.000 0.775 317 G HN 0.955 nan 8.290 nan 0.000 0.501 318 D N -0.694 119.781 120.400 0.125 0.000 2.360 318 D HA 0.438 5.126 4.640 0.079 0.000 0.242 318 D C -0.032 176.389 176.300 0.201 0.000 1.184 318 D CA -0.762 53.360 54.000 0.204 0.000 0.930 318 D CB 0.730 41.677 40.800 0.245 0.000 1.161 318 D HN 0.061 nan 8.370 nan 0.000 0.447 319 F N 0.189 120.240 119.950 0.169 0.000 2.405 319 F HA 0.385 4.967 4.527 0.091 0.000 0.355 319 F C -0.085 175.811 175.800 0.159 0.000 1.121 319 F CA -0.896 57.177 58.000 0.122 0.000 1.112 319 F CB 0.629 39.673 39.000 0.074 0.000 1.126 319 F HN 0.186 nan 8.300 nan 0.000 0.481 320 I N 5.237 125.787 120.570 -0.033 0.000 2.385 320 I HA 0.551 4.768 4.170 0.079 0.000 0.294 320 I C -0.145 176.053 176.117 0.135 0.000 0.988 320 I CA -0.590 60.750 61.300 0.067 0.000 1.265 320 I CB 1.346 39.230 38.000 -0.193 0.000 1.388 320 I HN 0.644 nan 8.210 nan 0.000 0.480 321 A N 7.479 130.411 122.820 0.186 0.000 2.365 321 A HA 0.899 5.266 4.320 0.079 0.000 0.318 321 A C -0.906 176.766 177.584 0.148 0.000 1.091 321 A CA -0.545 51.606 52.037 0.191 0.000 0.763 321 A CB 1.084 20.189 19.000 0.175 0.000 1.248 321 A HN 0.673 nan 8.150 nan 0.000 0.442 322 L N 1.994 123.311 121.223 0.156 0.000 2.362 322 L HA 0.386 4.773 4.340 0.079 0.000 0.275 322 L C 1.326 178.281 176.870 0.142 0.000 0.998 322 L CA -0.481 54.422 54.840 0.105 0.000 0.820 322 L CB 2.246 44.330 42.059 0.041 0.000 1.270 322 L HN 0.903 nan 8.230 nan 0.000 0.415 323 S N -0.735 114.985 115.700 0.034 0.000 2.489 323 S HA 0.050 4.567 4.470 0.079 0.000 0.228 323 S C 0.229 174.857 174.600 0.048 0.000 0.995 323 S CA 0.315 58.490 58.200 -0.041 0.000 0.934 323 S CB -0.174 62.954 63.200 -0.120 0.000 0.771 323 S HN 0.688 nan 8.310 nan 0.000 0.522 324 D N 0.129 120.552 120.400 0.039 0.000 2.423 324 D HA 0.521 5.208 4.640 0.079 0.000 0.235 324 D C -0.548 175.730 176.300 -0.035 0.000 1.011 324 D CA -0.803 53.206 54.000 0.014 0.000 0.963 324 D CB 1.017 41.820 40.800 0.005 0.000 1.349 324 D HN 0.094 nan 8.370 nan 0.000 0.508 325 I N 1.118 121.652 120.570 -0.059 0.000 2.906 325 I HA -0.133 4.084 4.170 0.079 0.000 0.301 325 I C 0.653 176.705 176.117 -0.108 0.000 1.221 325 I CA 0.245 61.470 61.300 -0.126 0.000 1.435 325 I CB 0.073 38.029 38.000 -0.075 0.000 1.345 325 I HN 0.288 nan 8.210 nan 0.000 0.558 326 C N 7.785 126.972 119.300 -0.188 0.000 2.648 326 C HA 0.113 4.621 4.460 0.079 0.000 0.419 326 C C 0.338 175.344 174.990 0.028 0.000 1.352 326 C CA -0.408 58.584 59.018 -0.043 0.000 1.816 326 C CB -1.086 26.698 27.740 0.072 0.000 2.598 326 C HN 0.876 nan 8.230 nan 0.000 0.598 327 D N 3.688 124.107 120.400 0.033 0.000 2.494 327 D HA 0.327 5.015 4.640 0.079 0.000 0.259 327 D C 0.776 177.100 176.300 0.041 0.000 1.109 327 D CA -0.750 53.270 54.000 0.034 0.000 1.040 327 D CB 0.572 41.386 40.800 0.023 0.000 1.175 327 D HN 0.224 nan 8.370 nan 0.000 0.584 328 V N -0.011 119.922 119.914 0.031 0.000 2.295 328 V HA -0.092 4.075 4.120 0.079 0.000 0.246 328 V C -0.956 175.153 176.094 0.024 0.000 1.049 328 V CA 1.822 64.137 62.300 0.025 0.000 1.024 328 V CB -1.494 30.339 31.823 0.017 0.000 0.648 328 V HN 0.559 nan 8.190 nan 0.000 0.447 329 P HA -0.122 nan 4.420 nan 0.000 0.215 329 P C 1.802 179.133 177.300 0.051 0.000 1.153 329 P CA 1.745 64.865 63.100 0.034 0.000 0.853 329 P CB -0.214 31.505 31.700 0.032 0.000 0.788 330 T N -0.632 113.957 114.554 0.058 0.000 2.788 330 T HA -0.131 4.266 4.350 0.079 0.000 0.268 330 T C 1.899 176.619 174.700 0.034 0.000 1.044 330 T CA 1.591 63.733 62.100 0.071 0.000 1.139 330 T CB -0.935 67.967 68.868 0.056 0.000 0.867 330 T HN 0.058 nan 8.240 nan 0.000 0.454 331 A N 1.703 124.538 122.820 0.024 0.000 1.933 331 A HA -0.102 4.266 4.320 0.079 0.000 0.218 331 A C 2.253 179.826 177.584 -0.019 0.000 1.175 331 A CA 1.431 53.468 52.037 0.001 0.000 0.628 331 A CB -0.382 18.628 19.000 0.016 0.000 0.814 331 A HN 0.454 nan 8.150 nan 0.000 0.444 332 K N -0.504 119.897 120.400 0.002 0.000 2.148 332 K HA 0.029 4.396 4.320 0.079 0.000 0.204 332 K C 1.717 178.324 176.600 0.011 0.000 1.050 332 K CA 1.255 57.541 56.287 -0.002 0.000 0.942 332 K CB -0.276 32.228 32.500 0.007 0.000 0.724 332 K HN 0.548 nan 8.250 nan 0.000 0.446 333 I N 0.939 121.541 120.570 0.053 0.000 2.163 333 I HA -0.264 3.953 4.170 0.079 0.000 0.240 333 I C 2.217 178.392 176.117 0.096 0.000 1.081 333 I CA 1.216 62.578 61.300 0.104 0.000 1.353 333 I CB -0.303 37.823 38.000 0.210 0.000 1.054 333 I HN 0.066 nan 8.210 nan 0.000 0.407 334 I N 0.927 121.530 120.570 0.055 0.000 2.151 334 I HA -0.354 3.863 4.170 0.079 0.000 0.243 334 I C 2.852 178.877 176.117 -0.152 0.000 1.080 334 I CA 1.995 63.263 61.300 -0.054 0.000 1.339 334 I CB -0.540 37.355 38.000 -0.175 0.000 1.039 334 I HN 0.357 nan 8.210 nan 0.000 0.409 335 S N 1.919 117.523 115.700 -0.160 0.000 2.399 335 S HA -0.229 4.289 4.470 0.079 0.000 0.231 335 S C 2.031 176.537 174.600 -0.157 0.000 1.022 335 S CA 1.256 59.330 58.200 -0.210 0.000 0.983 335 S CB -0.519 62.586 63.200 -0.159 0.000 0.803 335 S HN 0.596 nan 8.310 nan 0.000 0.480 336 R N 0.531 120.978 120.500 -0.089 0.000 2.297 336 R HA 0.263 4.650 4.340 0.079 0.000 0.197 336 R C -0.206 176.059 176.300 -0.059 0.000 0.943 336 R CA 0.038 56.098 56.100 -0.066 0.000 1.038 336 R CB -0.081 30.197 30.300 -0.037 0.000 0.957 336 R HN 0.305 nan 8.270 nan 0.000 0.484 337 E N 1.548 121.714 120.200 -0.057 0.000 2.250 337 E HA 0.220 4.618 4.350 0.079 0.000 0.269 337 E C -0.603 175.920 176.600 -0.127 0.000 1.018 337 E CA -0.963 55.409 56.400 -0.047 0.000 0.873 337 E CB 2.353 32.081 29.700 0.046 0.000 1.134 337 E HN -0.108 nan 8.360 nan 0.000 0.403 338 V N 1.861 121.656 119.914 -0.198 0.000 2.427 338 V HA 0.220 4.388 4.120 0.079 0.000 0.268 338 V C 0.472 176.415 176.094 -0.252 0.000 1.046 338 V CA 0.117 62.209 62.300 -0.346 0.000 0.970 338 V CB 0.648 31.984 31.823 -0.812 0.000 1.001 338 V HN 0.516 nan 8.190 nan 0.000 0.476 339 S N 2.434 118.055 115.700 -0.132 0.000 2.564 339 S HA 0.470 4.987 4.470 0.079 0.000 0.274 339 S C 0.017 174.697 174.600 0.134 0.000 1.124 339 S CA -0.632 57.578 58.200 0.016 0.000 0.869 339 S CB 2.082 65.321 63.200 0.066 0.000 1.105 339 S HN 0.732 nan 8.310 nan 0.000 0.472 340 D N 1.466 121.917 120.400 0.084 0.000 2.360 340 D HA 0.402 5.089 4.640 0.079 0.000 0.210 340 D C 0.686 176.862 176.300 -0.206 0.000 1.047 340 D CA 1.139 55.173 54.000 0.055 0.000 0.854 340 D CB 0.850 41.727 40.800 0.128 0.000 0.936 340 D HN 0.806 nan 8.370 nan 0.000 0.514 341 G N -0.910 107.532 108.800 -0.596 0.000 2.337 341 G HA2 0.342 4.349 3.960 0.079 0.000 0.298 341 G HA3 0.342 4.349 3.960 0.079 0.000 0.298 341 G C -2.075 171.939 174.900 -1.477 0.000 1.335 341 G CA -0.269 44.017 45.100 -1.358 0.000 0.875 341 G HN 0.109 nan 8.290 nan 0.000 0.579 342 V N -0.991 118.244 119.914 -1.132 0.000 2.971 342 V HA 0.865 5.032 4.120 0.079 0.000 0.309 342 V C -1.154 174.900 176.094 -0.067 0.000 1.130 342 V CA -0.454 61.529 62.300 -0.528 0.000 0.964 342 V CB 1.835 33.568 31.823 -0.150 0.000 1.029 342 V HN 1.806 nan 8.190 nan 0.000 0.427 343 V N 5.477 125.494 119.914 0.171 0.000 2.735 343 V HA 1.056 5.223 4.120 0.079 0.000 0.310 343 V C -0.168 175.989 176.094 0.104 0.000 1.061 343 V CA 0.424 62.828 62.300 0.173 0.000 0.913 343 V CB 1.633 33.553 31.823 0.162 0.000 1.005 343 V HN 1.928 nan 8.190 nan 0.000 0.428 344 A N 6.295 129.081 122.820 -0.057 0.000 2.601 344 A HA 0.835 5.202 4.320 0.079 0.000 0.291 344 A C -2.729 174.675 177.584 -0.301 0.000 1.075 344 A CA -0.730 51.219 52.037 -0.148 0.000 0.671 344 A CB 1.631 20.371 19.000 -0.433 0.000 1.277 344 A HN 0.532 nan 8.150 nan 0.000 0.417 345 P HA 0.160 nan 4.420 nan 0.000 0.226 345 P C 0.740 177.917 177.300 -0.206 0.000 1.153 345 P CA 1.761 64.766 63.100 -0.158 0.000 0.777 345 P CB 0.301 32.036 31.700 0.057 0.000 0.794 346 G N -1.662 106.917 108.800 -0.369 0.000 2.368 346 G HA2 0.465 4.473 3.960 0.079 0.000 0.293 346 G HA3 0.465 4.473 3.960 0.079 0.000 0.293 346 G C -2.354 172.160 174.900 -0.643 0.000 1.467 346 G CA -0.658 44.243 45.100 -0.332 0.000 0.804 346 G HN -0.110 nan 8.290 nan 0.000 0.535 347 Y N 0.468 120.759 120.300 -0.015 0.000 2.386 347 Y HA 0.443 5.039 4.550 0.077 0.000 0.334 347 Y C 0.520 176.415 175.900 -0.009 0.000 1.002 347 Y CA -0.885 57.207 58.100 -0.012 0.000 1.068 347 Y CB 1.968 40.417 38.460 -0.018 0.000 1.203 347 Y HN 0.571 nan 8.280 nan 0.000 0.443 348 E N 2.297 122.563 120.200 0.109 0.000 2.436 348 E HA -0.045 4.352 4.350 0.079 0.000 0.262 348 E C 0.340 176.991 176.600 0.084 0.000 1.063 348 E CA 0.135 56.579 56.400 0.073 0.000 0.944 348 E CB 0.761 30.490 29.700 0.048 0.000 0.950 348 E HN 0.763 nan 8.360 nan 0.000 0.444 349 E N 1.787 122.018 120.200 0.051 0.000 2.110 349 E HA -0.255 4.142 4.350 0.079 0.000 0.193 349 E C 1.738 178.352 176.600 0.024 0.000 0.988 349 E CA 1.104 57.525 56.400 0.035 0.000 0.804 349 E CB 0.047 29.758 29.700 0.019 0.000 0.745 349 E HN 0.540 nan 8.360 nan 0.000 0.458 350 E N 0.651 120.866 120.200 0.024 0.000 2.107 350 E HA -0.121 4.276 4.350 0.079 0.000 0.191 350 E C 2.041 178.652 176.600 0.018 0.000 0.982 350 E CA 0.767 57.176 56.400 0.015 0.000 0.809 350 E CB 0.002 29.710 29.700 0.012 0.000 0.756 350 E HN 0.233 nan 8.360 nan 0.000 0.459 351 A N 1.011 123.856 122.820 0.042 0.000 1.877 351 A HA -0.170 4.197 4.320 0.079 0.000 0.216 351 A C 2.113 179.716 177.584 0.032 0.000 1.186 351 A CA 1.183 53.255 52.037 0.058 0.000 0.620 351 A CB -0.721 18.349 19.000 0.117 0.000 0.822 351 A HN 0.367 nan 8.150 nan 0.000 0.443 352 L N -0.000 121.240 121.223 0.029 0.000 2.042 352 L HA -0.174 4.214 4.340 0.079 0.000 0.210 352 L C 2.305 179.131 176.870 -0.073 0.000 1.076 352 L CA 2.538 57.332 54.840 -0.077 0.000 0.749 352 L CB -0.579 41.447 42.059 -0.055 0.000 0.893 352 L HN 0.483 nan 8.230 nan 0.000 0.432 353 K N -0.582 119.797 120.400 -0.036 0.000 2.026 353 K HA -0.177 4.190 4.320 0.079 0.000 0.208 353 K C 2.100 178.675 176.600 -0.041 0.000 1.048 353 K CA 1.949 58.215 56.287 -0.035 0.000 0.929 353 K CB -0.215 32.272 32.500 -0.021 0.000 0.713 353 K HN 0.381 nan 8.250 nan 0.000 0.439 354 I N 1.008 121.555 120.570 -0.038 0.000 2.252 354 I HA -0.290 3.928 4.170 0.079 0.000 0.245 354 I C 2.075 178.146 176.117 -0.077 0.000 1.102 354 I CA 1.081 62.351 61.300 -0.050 0.000 1.385 354 I CB -0.153 37.823 38.000 -0.040 0.000 1.064 354 I HN 0.164 nan 8.210 nan 0.000 0.414 355 L N -0.386 120.794 121.223 -0.072 0.000 2.156 355 L HA -0.123 4.265 4.340 0.079 0.000 0.208 355 L C 2.553 179.418 176.870 -0.009 0.000 1.095 355 L CA 0.933 55.733 54.840 -0.066 0.000 0.770 355 L CB -0.540 41.504 42.059 -0.026 0.000 0.914 355 L HN 0.143 nan 8.230 nan 0.000 0.439 356 S N 0.239 115.915 115.700 -0.040 0.000 2.423 356 S HA -0.132 4.385 4.470 0.079 0.000 0.231 356 S C 1.790 176.379 174.600 -0.019 0.000 1.014 356 S CA 1.139 59.323 58.200 -0.028 0.000 0.965 356 S CB -0.122 63.044 63.200 -0.057 0.000 0.785 356 S HN 0.508 nan 8.310 nan 0.000 0.495 357 K N 1.589 121.966 120.400 -0.039 0.000 2.459 357 K HA 0.130 4.497 4.320 0.079 0.000 0.193 357 K C 0.637 177.204 176.600 -0.056 0.000 1.030 357 K CA 0.272 56.535 56.287 -0.041 0.000 1.026 357 K CB 0.059 32.533 32.500 -0.043 0.000 0.809 357 K HN 0.073 nan 8.250 nan 0.000 0.504 358 K N 2.237 122.583 120.400 -0.089 0.000 2.414 358 K HA -0.036 4.331 4.320 0.079 0.000 0.272 358 K C -0.613 175.957 176.600 -0.051 0.000 0.993 358 K CA 0.304 56.494 56.287 -0.161 0.000 0.964 358 K CB 0.319 32.547 32.500 -0.454 0.000 0.925 358 K HN 0.078 nan 8.250 nan 0.000 0.487 359 K N 2.842 123.207 120.400 -0.059 0.000 3.419 359 K HA -0.301 4.066 4.320 0.079 0.000 0.272 359 K C -0.544 176.062 176.600 0.010 0.000 0.973 359 K CA 0.930 57.217 56.287 0.001 0.000 0.749 359 K CB -1.399 31.142 32.500 0.070 0.000 1.403 359 K HN 0.989 nan 8.250 nan 0.000 0.456 360 N N -1.416 117.280 118.700 -0.007 0.000 2.741 360 N HA -0.243 4.544 4.740 0.079 0.000 0.251 360 N C 0.589 176.098 175.510 -0.001 0.000 1.112 360 N CA 1.666 54.714 53.050 -0.003 0.000 0.750 360 N CB -0.754 37.736 38.487 0.005 0.000 1.119 360 N HN 0.887 nan 8.380 nan 0.000 0.561 361 G N -2.575 106.225 108.800 -0.000 0.000 2.176 361 G HA2 -0.189 3.819 3.960 0.079 0.000 0.253 361 G HA3 -0.189 3.819 3.960 0.079 0.000 0.253 361 G C 0.613 175.521 174.900 0.013 0.000 0.979 361 G CA 0.313 45.414 45.100 0.001 0.000 0.641 361 G HN 0.882 nan 8.290 nan 0.000 0.530 362 G N -0.727 108.092 108.800 0.031 0.000 3.575 362 G HA2 0.427 4.434 3.960 0.079 0.000 0.273 362 G HA3 0.427 4.434 3.960 0.079 0.000 0.273 362 G C 0.267 175.197 174.900 0.051 0.000 1.053 362 G CA -0.009 45.107 45.100 0.027 0.000 0.803 362 G HN 0.595 nan 8.290 nan 0.000 0.528 363 Y N 0.902 121.160 120.300 -0.071 0.000 2.526 363 Y HA 0.279 4.878 4.550 0.081 0.000 0.330 363 Y C 0.735 176.574 175.900 -0.101 0.000 1.156 363 Y CA -1.435 56.610 58.100 -0.091 0.000 1.419 363 Y CB 0.538 38.929 38.460 -0.115 0.000 1.250 363 Y HN 0.047 nan 8.280 nan 0.000 0.540 364 C N 7.981 126.936 119.300 -0.576 0.000 2.619 364 C HA 0.481 4.989 4.460 0.079 0.000 0.389 364 C C -0.528 174.088 174.990 -0.624 0.000 1.314 364 C CA -0.547 58.195 59.018 -0.459 0.000 1.678 364 C CB -2.282 25.297 27.740 -0.269 0.000 2.398 364 C HN 0.597 nan 8.230 nan 0.000 0.582 365 V N 8.932 128.631 119.914 -0.358 0.000 2.376 365 V HA 0.415 4.582 4.120 0.079 0.000 0.287 365 V C -0.066 175.932 176.094 -0.160 0.000 1.015 365 V CA -0.257 61.847 62.300 -0.326 0.000 0.834 365 V CB 1.198 32.777 31.823 -0.407 0.000 1.001 365 V HN 0.737 nan 8.190 nan 0.000 0.428 366 L N 4.215 125.422 121.223 -0.026 0.000 2.334 366 L HA 0.664 5.052 4.340 0.079 0.000 0.276 366 L C -0.291 176.633 176.870 0.089 0.000 1.014 366 L CA -0.537 54.312 54.840 0.015 0.000 0.815 366 L CB 2.074 44.150 42.059 0.028 0.000 1.268 366 L HN 0.593 nan 8.230 nan 0.000 0.428 367 Q N 2.542 122.350 119.800 0.013 0.000 2.312 367 Q HA 0.604 4.991 4.340 0.079 0.000 0.263 367 Q C -1.212 174.647 176.000 -0.234 0.000 0.995 367 Q CA -0.766 55.015 55.803 -0.037 0.000 0.853 367 Q CB 2.256 31.014 28.738 0.033 0.000 1.300 367 Q HN 0.562 nan 8.270 nan 0.000 0.448 368 M N 3.443 122.791 119.600 -0.419 0.000 2.321 368 M HA 0.296 4.823 4.480 0.079 0.000 0.315 368 M C -1.477 174.528 176.300 -0.493 0.000 1.052 368 M CA -0.579 54.341 55.300 -0.633 0.000 0.936 368 M CB 1.680 33.516 32.600 -1.273 0.000 1.639 368 M HN 0.545 nan 8.290 nan 0.000 0.433 369 D N 6.572 126.789 120.400 -0.305 0.000 2.382 369 D HA 0.150 4.837 4.640 0.079 0.000 0.259 369 D C -1.705 174.603 176.300 0.013 0.000 1.224 369 D CA -1.542 52.390 54.000 -0.114 0.000 0.894 369 D CB 1.156 41.923 40.800 -0.056 0.000 1.127 369 D HN 0.428 nan 8.370 nan 0.000 0.487 370 P HA -0.070 nan 4.420 nan 0.000 0.226 370 P C 0.167 177.609 177.300 0.236 0.000 1.153 370 P CA 0.803 64.096 63.100 0.321 0.000 0.777 370 P CB 0.258 32.111 31.700 0.255 0.000 0.794 371 N N -1.751 117.044 118.700 0.158 0.000 2.373 371 N HA -0.028 4.760 4.740 0.079 0.000 0.181 371 N C 0.410 175.998 175.510 0.129 0.000 1.082 371 N CA -0.355 52.765 53.050 0.116 0.000 0.885 371 N CB -0.360 38.171 38.487 0.073 0.000 0.977 371 N HN 0.162 nan 8.380 nan 0.000 0.462 372 Y N 2.546 122.877 120.300 0.051 0.000 2.526 372 Y HA 0.035 4.628 4.550 0.072 0.000 0.330 372 Y C -0.343 175.596 175.900 0.065 0.000 1.156 372 Y CA -0.034 58.089 58.100 0.038 0.000 1.419 372 Y CB 0.464 38.928 38.460 0.007 0.000 1.250 372 Y HN -0.049 nan 8.280 nan 0.000 0.540 373 E N 8.265 128.057 120.200 -0.681 0.000 2.210 373 E HA 0.319 4.716 4.350 0.079 0.000 0.266 373 E C -2.651 173.411 176.600 -0.898 0.000 0.883 373 E CA -2.188 53.856 56.400 -0.594 0.000 0.761 373 E CB 1.567 31.113 29.700 -0.257 0.000 1.156 373 E HN 0.527 nan 8.360 nan 0.000 0.412 374 P HA 0.174 nan 4.420 nan 0.000 0.277 374 P C -0.395 176.810 177.300 -0.157 0.000 1.240 374 P CA -0.485 62.416 63.100 -0.330 0.000 0.798 374 P CB 0.854 32.526 31.700 -0.047 0.000 0.979 375 D N 1.426 121.787 120.400 -0.064 0.000 2.443 375 D HA -0.056 4.631 4.640 0.079 0.000 0.234 375 D C 1.166 177.458 176.300 -0.013 0.000 1.172 375 D CA 0.304 54.289 54.000 -0.026 0.000 0.878 375 D CB 0.268 41.076 40.800 0.013 0.000 1.204 375 D HN 0.323 nan 8.370 nan 0.000 0.453 376 D N 0.268 120.661 120.400 -0.011 0.000 2.097 376 D HA -0.098 4.590 4.640 0.079 0.000 0.195 376 D C 0.277 176.585 176.300 0.012 0.000 0.989 376 D CA 1.076 55.074 54.000 -0.003 0.000 0.827 376 D CB 0.072 40.869 40.800 -0.005 0.000 0.966 376 D HN 0.327 nan 8.370 nan 0.000 0.456 377 N N 1.440 120.150 118.700 0.016 0.000 2.498 377 N HA 0.173 4.960 4.740 0.079 0.000 0.287 377 N C -0.090 175.440 175.510 0.033 0.000 1.097 377 N CA -0.048 53.017 53.050 0.024 0.000 0.973 377 N CB 1.554 40.054 38.487 0.022 0.000 1.153 377 N HN 0.281 nan 8.380 nan 0.000 0.472 378 E N 0.936 121.159 120.200 0.039 0.000 2.317 378 E HA 0.592 4.990 4.350 0.079 0.000 0.270 378 E C -1.072 175.554 176.600 0.044 0.000 0.885 378 E CA -0.708 55.719 56.400 0.044 0.000 0.760 378 E CB 1.635 31.369 29.700 0.055 0.000 1.227 378 E HN 0.379 nan 8.360 nan 0.000 0.434 379 I N 2.111 122.706 120.570 0.042 0.000 2.509 379 I HA 0.449 4.667 4.170 0.079 0.000 0.293 379 I C -0.323 175.822 176.117 0.047 0.000 1.020 379 I CA -1.039 60.287 61.300 0.044 0.000 1.088 379 I CB 1.943 39.969 38.000 0.044 0.000 1.267 379 I HN 0.580 nan 8.210 nan 0.000 0.430 380 R N 3.103 123.634 120.500 0.051 0.000 2.621 380 R HA 0.592 4.979 4.340 0.079 0.000 0.292 380 R C -1.452 174.884 176.300 0.059 0.000 0.969 380 R CA -0.556 55.578 56.100 0.057 0.000 0.887 380 R CB 1.701 32.037 30.300 0.061 0.000 1.180 380 R HN 0.433 nan 8.270 nan 0.000 0.450 381 T N 4.555 119.148 114.554 0.065 0.000 2.729 381 T HA 0.259 4.656 4.350 0.079 0.000 0.296 381 T C -0.746 173.999 174.700 0.075 0.000 0.928 381 T CA -0.351 61.788 62.100 0.064 0.000 1.045 381 T CB 0.551 69.457 68.868 0.062 0.000 0.902 381 T HN 0.384 nan 8.240 nan 0.000 0.500 382 L N 5.681 126.954 121.223 0.082 0.000 2.343 382 L HA 0.426 4.814 4.340 0.079 0.000 0.278 382 L C -0.347 176.634 176.870 0.184 0.000 0.996 382 L CA -0.948 53.958 54.840 0.110 0.000 0.831 382 L CB 0.319 42.429 42.059 0.085 0.000 1.232 382 L HN 0.717 nan 8.230 nan 0.000 0.413 383 Y N 5.520 125.827 120.300 0.013 0.000 3.589 383 Y HA -0.161 4.430 4.550 0.068 0.000 0.218 383 Y C 1.253 177.161 175.900 0.014 0.000 1.234 383 Y CA 1.442 59.548 58.100 0.011 0.000 1.576 383 Y CB -1.108 37.356 38.460 0.006 0.000 1.487 383 Y HN 1.167 nan 8.280 nan 0.000 0.616 384 G N -0.497 108.295 108.800 -0.014 0.000 2.179 384 G HA2 -0.289 3.718 3.960 0.079 0.000 0.260 384 G HA3 -0.289 3.718 3.960 0.079 0.000 0.260 384 G C 0.076 174.953 174.900 -0.039 0.000 0.977 384 G CA 0.183 45.241 45.100 -0.070 0.000 0.641 384 G HN 0.659 nan 8.290 nan 0.000 0.533 385 L N -0.438 120.788 121.223 0.005 0.000 2.330 385 L HA 0.700 5.087 4.340 0.079 0.000 0.271 385 L C 0.125 177.017 176.870 0.038 0.000 1.013 385 L CA -1.190 53.662 54.840 0.021 0.000 0.816 385 L CB 1.716 43.800 42.059 0.040 0.000 1.287 385 L HN -0.018 nan 8.230 nan 0.000 0.435 386 Q N 2.275 122.096 119.800 0.034 0.000 2.278 386 Q HA 0.605 4.992 4.340 0.079 0.000 0.257 386 Q C -1.154 174.869 176.000 0.039 0.000 0.928 386 Q CA 0.112 55.938 55.803 0.039 0.000 0.932 386 Q CB 1.844 30.604 28.738 0.035 0.000 1.221 386 Q HN 0.399 nan 8.270 nan 0.000 0.434 387 L N 2.804 124.053 121.223 0.043 0.000 2.333 387 L HA 0.622 5.009 4.340 0.079 0.000 0.280 387 L C -0.737 176.159 176.870 0.042 0.000 1.004 387 L CA -0.471 54.395 54.840 0.042 0.000 0.820 387 L CB 1.449 43.535 42.059 0.045 0.000 1.247 387 L HN 0.516 nan 8.230 nan 0.000 0.416 388 M N 4.449 124.072 119.600 0.038 0.000 2.464 388 M HA 0.487 5.015 4.480 0.079 0.000 0.308 388 M C -1.482 174.840 176.300 0.036 0.000 1.127 388 M CA -0.291 55.031 55.300 0.037 0.000 0.913 388 M CB 2.191 34.810 32.600 0.031 0.000 1.689 388 M HN 0.707 nan 8.290 nan 0.000 0.445 389 Q N 1.970 121.792 119.800 0.038 0.000 2.534 389 Q HA 0.491 4.878 4.340 0.079 0.000 0.290 389 Q C -1.497 174.522 176.000 0.032 0.000 0.991 389 Q CA -1.309 54.516 55.803 0.036 0.000 0.783 389 Q CB 1.520 30.285 28.738 0.044 0.000 1.470 389 Q HN 0.540 nan 8.270 nan 0.000 0.406 390 K N 1.824 122.239 120.400 0.025 0.000 2.472 390 K HA 0.019 4.387 4.320 0.079 0.000 0.280 390 K C -0.153 176.464 176.600 0.028 0.000 1.028 390 K CA 0.050 56.349 56.287 0.020 0.000 1.045 390 K CB 0.512 33.019 32.500 0.011 0.000 0.902 390 K HN 0.664 nan 8.250 nan 0.000 0.478 391 R N 3.012 123.531 120.500 0.032 0.000 2.784 391 R HA 0.029 4.416 4.340 0.079 0.000 0.266 391 R C -0.223 176.094 176.300 0.028 0.000 1.044 391 R CA -0.401 55.725 56.100 0.044 0.000 1.151 391 R CB 0.242 30.574 30.300 0.053 0.000 1.037 391 R HN 0.525 nan 8.270 nan 0.000 0.478 392 N N 1.454 120.171 118.700 0.030 0.000 2.466 392 N HA 0.003 4.790 4.740 0.079 0.000 0.263 392 N C -0.898 174.603 175.510 -0.015 0.000 1.178 392 N CA -0.049 52.995 53.050 -0.009 0.000 0.983 392 N CB 0.047 38.507 38.487 -0.045 0.000 1.331 392 N HN 0.511 nan 8.380 nan 0.000 0.500 393 N N 0.981 119.673 118.700 -0.014 0.000 2.235 393 N HA 0.110 4.897 4.740 0.079 0.000 0.209 393 N C -0.305 175.187 175.510 -0.029 0.000 1.122 393 N CA -0.149 52.894 53.050 -0.012 0.000 0.845 393 N CB 0.442 38.922 38.487 -0.011 0.000 1.004 393 N HN 0.481 nan 8.380 nan 0.000 0.499 394 A N 0.502 123.294 122.820 -0.047 0.000 2.477 394 A HA 0.292 4.659 4.320 0.079 0.000 0.246 394 A C 0.328 177.876 177.584 -0.060 0.000 1.078 394 A CA -0.061 51.941 52.037 -0.059 0.000 0.770 394 A CB 0.419 19.375 19.000 -0.074 0.000 1.011 394 A HN 0.004 nan 8.150 nan 0.000 0.494 395 V N 4.530 124.406 119.914 -0.063 0.000 2.407 395 V HA 0.210 4.378 4.120 0.079 0.000 0.278 395 V C -0.018 176.023 176.094 -0.089 0.000 1.037 395 V CA -0.510 61.752 62.300 -0.063 0.000 0.900 395 V CB 1.168 32.954 31.823 -0.061 0.000 0.983 395 V HN 0.645 nan 8.190 nan 0.000 0.459 396 I N 5.902 126.424 120.570 -0.080 0.000 2.301 396 I HA 0.448 4.666 4.170 0.079 0.000 0.292 396 I C -0.090 175.948 176.117 -0.131 0.000 1.046 396 I CA -0.065 61.169 61.300 -0.111 0.000 1.282 396 I CB 0.619 38.586 38.000 -0.055 0.000 1.409 396 I HN 0.830 nan 8.210 nan 0.000 0.484 397 D N 5.163 125.431 120.400 -0.220 0.000 2.744 397 D HA 0.278 4.965 4.640 0.079 0.000 0.304 397 D C 0.893 176.948 176.300 -0.409 0.000 1.179 397 D CA -0.835 53.035 54.000 -0.217 0.000 1.024 397 D CB 0.945 41.661 40.800 -0.140 0.000 1.453 397 D HN 0.240 nan 8.370 nan 0.000 0.529 398 R N -0.115 120.229 120.500 -0.261 0.000 2.103 398 R HA -0.192 4.195 4.340 0.079 0.000 0.242 398 R C 1.653 177.759 176.300 -0.324 0.000 1.142 398 R CA 2.383 58.344 56.100 -0.231 0.000 0.960 398 R CB -0.516 29.753 30.300 -0.052 0.000 0.858 398 R HN 0.530 nan 8.270 nan 0.000 0.439 399 S N 0.340 115.893 115.700 -0.245 0.000 2.500 399 S HA -0.125 4.392 4.470 0.079 0.000 0.239 399 S C 1.809 176.262 174.600 -0.246 0.000 0.989 399 S CA 0.832 58.923 58.200 -0.182 0.000 0.951 399 S CB -0.210 62.916 63.200 -0.124 0.000 0.759 399 S HN 0.409 nan 8.310 nan 0.000 0.523 400 L N 0.231 121.170 121.223 -0.473 0.000 2.362 400 L HA 0.294 4.681 4.340 0.079 0.000 0.219 400 L C 0.620 177.308 176.870 -0.303 0.000 1.134 400 L CA 1.299 55.858 54.840 -0.469 0.000 0.807 400 L CB -0.665 41.023 42.059 -0.619 0.000 0.927 400 L HN 0.337 nan 8.230 nan 0.000 0.447 401 F N -1.417 118.522 119.950 -0.019 0.000 2.647 401 F HA 0.264 4.838 4.527 0.078 0.000 0.300 401 F C 1.735 177.529 175.800 -0.010 0.000 1.106 401 F CA -0.566 57.426 58.000 -0.014 0.000 1.313 401 F CB -0.860 38.127 39.000 -0.023 0.000 1.007 401 F HN -0.013 nan 8.300 nan 0.000 0.536 402 K N 0.288 120.745 120.400 0.095 0.000 2.026 402 K HA -0.184 4.184 4.320 0.079 0.000 0.208 402 K C 0.844 177.483 176.600 0.064 0.000 1.048 402 K CA 1.307 57.630 56.287 0.059 0.000 0.929 402 K CB -0.214 32.295 32.500 0.015 0.000 0.713 402 K HN 0.017 nan 8.250 nan 0.000 0.439 403 N N 1.587 120.329 118.700 0.070 0.000 2.968 403 N HA 0.096 4.883 4.740 0.079 0.000 0.271 403 N C -1.071 174.474 175.510 0.059 0.000 1.174 403 N CA 0.005 53.091 53.050 0.059 0.000 1.096 403 N CB -0.193 38.332 38.487 0.063 0.000 1.403 403 N HN 0.058 nan 8.380 nan 0.000 0.522 404 I N 2.226 122.823 120.570 0.044 0.000 2.379 404 I HA -0.005 4.212 4.170 0.079 0.000 0.290 404 I C 1.402 177.518 176.117 -0.001 0.000 1.063 404 I CA -0.423 60.890 61.300 0.020 0.000 1.351 404 I CB 1.031 39.046 38.000 0.025 0.000 1.410 404 I HN 0.251 nan 8.210 nan 0.000 0.505 405 V N 1.468 121.359 119.914 -0.038 0.000 3.644 405 V HA 0.058 4.225 4.120 0.079 0.000 0.267 405 V C 1.028 177.094 176.094 -0.048 0.000 1.277 405 V CA 0.057 62.330 62.300 -0.044 0.000 1.096 405 V CB -0.581 31.191 31.823 -0.084 0.000 0.828 405 V HN 0.779 nan 8.190 nan 0.000 0.446 406 T N -1.655 112.867 114.554 -0.053 0.000 2.849 406 T HA 0.313 4.710 4.350 0.079 0.000 0.284 406 T C 0.814 175.501 174.700 -0.022 0.000 1.004 406 T CA -0.317 61.759 62.100 -0.041 0.000 1.021 406 T CB 1.450 70.290 68.868 -0.047 0.000 1.013 406 T HN 0.283 nan 8.240 nan 0.000 0.527 407 K N 0.622 121.010 120.400 -0.020 0.000 2.147 407 K HA -0.029 4.338 4.320 0.079 0.000 0.205 407 K C 0.519 177.113 176.600 -0.011 0.000 1.049 407 K CA 0.744 57.023 56.287 -0.013 0.000 0.936 407 K CB -0.144 32.349 32.500 -0.013 0.000 0.722 407 K HN 0.571 nan 8.250 nan 0.000 0.446 408 N N 2.227 120.917 118.700 -0.016 0.000 2.442 408 N HA 0.006 4.794 4.740 0.079 0.000 0.265 408 N C 0.228 175.742 175.510 0.007 0.000 1.138 408 N CA 0.235 53.279 53.050 -0.010 0.000 0.956 408 N CB 1.015 39.484 38.487 -0.029 0.000 1.067 408 N HN -0.010 nan 8.380 nan 0.000 0.474 409 K N 0.612 121.023 120.400 0.019 0.000 2.373 409 K HA 0.090 4.457 4.320 0.079 0.000 0.202 409 K C 0.161 176.794 176.600 0.055 0.000 1.025 409 K CA 0.004 56.309 56.287 0.031 0.000 1.115 409 K CB 0.089 32.602 32.500 0.022 0.000 0.858 409 K HN 0.394 nan 8.250 nan 0.000 0.525 410 T N 2.208 116.811 114.554 0.082 0.000 2.867 410 T HA 0.158 4.556 4.350 0.079 0.000 0.297 410 T C -0.016 174.811 174.700 0.212 0.000 0.989 410 T CA 0.238 62.420 62.100 0.137 0.000 1.159 410 T CB 0.284 69.253 68.868 0.168 0.000 0.928 410 T HN 0.039 nan 8.240 nan 0.000 0.538 411 L N 6.585 127.843 121.223 0.058 0.000 2.408 411 L HA 0.302 4.689 4.340 0.079 0.000 0.260 411 L C -2.371 174.363 176.870 -0.226 0.000 1.305 411 L CA -1.121 53.627 54.840 -0.154 0.000 0.850 411 L CB 0.859 42.863 42.059 -0.090 0.000 1.004 411 L HN 0.411 nan 8.230 nan 0.000 0.506 412 P HA 0.135 nan 4.420 nan 0.000 0.270 412 P C 0.310 177.488 177.300 -0.204 0.000 1.227 412 P CA -0.036 62.948 63.100 -0.192 0.000 0.788 412 P CB 0.888 32.483 31.700 -0.174 0.000 0.926 413 E N 0.309 120.439 120.200 -0.117 0.000 2.204 413 E HA -0.123 4.274 4.350 0.079 0.000 0.195 413 E C 1.879 178.413 176.600 -0.110 0.000 0.990 413 E CA 1.625 57.973 56.400 -0.088 0.000 0.821 413 E CB -0.537 29.136 29.700 -0.044 0.000 0.750 413 E HN 0.596 nan 8.360 nan 0.000 0.477 414 S N 0.601 116.223 115.700 -0.129 0.000 2.402 414 S HA -0.001 4.516 4.470 0.079 0.000 0.229 414 S C 2.173 176.647 174.600 -0.211 0.000 1.021 414 S CA 0.924 59.049 58.200 -0.124 0.000 0.974 414 S CB -0.022 63.127 63.200 -0.086 0.000 0.800 414 S HN 0.238 nan 8.310 nan 0.000 0.484 415 A N 1.639 124.220 122.820 -0.398 0.000 1.872 415 A HA 0.170 4.538 4.320 0.079 0.000 0.214 415 A C 2.391 179.727 177.584 -0.414 0.000 1.187 415 A CA 1.285 52.961 52.037 -0.601 0.000 0.614 415 A CB -1.128 17.043 19.000 -1.382 0.000 0.826 415 A HN 0.421 nan 8.150 nan 0.000 0.442 416 V N 0.550 120.277 119.914 -0.311 0.000 2.324 416 V HA -0.331 3.836 4.120 0.079 0.000 0.250 416 V C 2.670 178.765 176.094 0.001 0.000 1.060 416 V CA 2.517 64.749 62.300 -0.114 0.000 1.042 416 V CB -0.875 30.976 31.823 0.047 0.000 0.650 416 V HN 0.672 nan 8.190 nan 0.000 0.450 417 R N 0.130 120.606 120.500 -0.041 0.000 2.082 417 R HA -0.201 4.186 4.340 0.079 0.000 0.234 417 R C 2.107 178.399 176.300 -0.013 0.000 1.136 417 R CA 2.340 58.436 56.100 -0.007 0.000 0.935 417 R CB -0.507 29.780 30.300 -0.022 0.000 0.842 417 R HN 0.519 nan 8.270 nan 0.000 0.430 418 D N 0.657 121.019 120.400 -0.063 0.000 2.144 418 D HA -0.154 4.533 4.640 0.079 0.000 0.199 418 D C 2.032 178.302 176.300 -0.050 0.000 0.984 418 D CA 1.024 54.991 54.000 -0.055 0.000 0.834 418 D CB -0.176 40.581 40.800 -0.071 0.000 0.955 418 D HN 0.310 nan 8.370 nan 0.000 0.465 419 L N 0.280 121.434 121.223 -0.115 0.000 2.141 419 L HA -0.066 4.321 4.340 0.079 0.000 0.209 419 L C 2.439 179.389 176.870 0.133 0.000 1.094 419 L CA 0.501 55.271 54.840 -0.117 0.000 0.763 419 L CB -0.185 41.525 42.059 -0.581 0.000 0.908 419 L HN 0.003 nan 8.230 nan 0.000 0.437 420 I N -1.038 119.661 120.570 0.214 0.000 2.252 420 I HA -0.250 3.967 4.170 0.079 0.000 0.245 420 I C 2.426 178.605 176.117 0.104 0.000 1.102 420 I CA 0.969 62.393 61.300 0.206 0.000 1.385 420 I CB -0.264 37.833 38.000 0.162 0.000 1.064 420 I HN 0.005 nan 8.210 nan 0.000 0.414 421 V N 1.131 121.085 119.914 0.065 0.000 2.295 421 V HA -0.308 3.859 4.120 0.079 0.000 0.246 421 V C 2.746 178.873 176.094 0.054 0.000 1.049 421 V CA 2.053 64.383 62.300 0.050 0.000 1.024 421 V CB -1.075 30.765 31.823 0.028 0.000 0.648 421 V HN 0.497 nan 8.190 nan 0.000 0.447 422 A N -0.265 122.581 122.820 0.043 0.000 1.877 422 A HA -0.213 4.154 4.320 0.079 0.000 0.216 422 A C 2.483 180.096 177.584 0.050 0.000 1.186 422 A CA 2.401 54.461 52.037 0.039 0.000 0.620 422 A CB -0.715 18.294 19.000 0.014 0.000 0.822 422 A HN 0.524 nan 8.150 nan 0.000 0.443 423 S N -0.209 115.532 115.700 0.069 0.000 2.368 423 S HA -0.046 4.471 4.470 0.079 0.000 0.224 423 S C 1.806 176.429 174.600 0.039 0.000 1.029 423 S CA 1.324 59.559 58.200 0.058 0.000 0.988 423 S CB -0.462 62.798 63.200 0.101 0.000 0.838 423 S HN 0.534 nan 8.310 nan 0.000 0.462 424 I N 1.887 122.497 120.570 0.066 0.000 2.226 424 I HA -0.205 4.013 4.170 0.079 0.000 0.245 424 I C 2.747 178.958 176.117 0.158 0.000 1.100 424 I CA 1.060 62.422 61.300 0.102 0.000 1.374 424 I CB -0.565 37.501 38.000 0.110 0.000 1.057 424 I HN 0.260 nan 8.210 nan 0.000 0.413 425 A N 0.437 123.333 122.820 0.127 0.000 1.883 425 A HA -0.173 4.194 4.320 0.079 0.000 0.217 425 A C 2.463 180.111 177.584 0.106 0.000 1.186 425 A CA 1.816 53.937 52.037 0.140 0.000 0.624 425 A CB -1.027 18.028 19.000 0.091 0.000 0.822 425 A HN 0.244 nan 8.150 nan 0.000 0.444 426 V N 0.138 120.083 119.914 0.052 0.000 2.515 426 V HA -0.231 3.936 4.120 0.079 0.000 0.250 426 V C 2.515 178.580 176.094 -0.048 0.000 1.058 426 V CA 2.281 64.592 62.300 0.018 0.000 1.064 426 V CB -0.532 31.297 31.823 0.010 0.000 0.675 426 V HN 0.696 nan 8.190 nan 0.000 0.461 427 K N -0.715 119.611 120.400 -0.124 0.000 2.152 427 K HA -0.187 4.181 4.320 0.079 0.000 0.206 427 K C 1.046 177.231 176.600 -0.691 0.000 1.048 427 K CA 1.738 57.793 56.287 -0.387 0.000 0.933 427 K CB -0.072 32.140 32.500 -0.481 0.000 0.721 427 K HN 0.568 nan 8.250 nan 0.000 0.447 428 Y N 0.028 120.254 120.300 -0.123 0.000 2.720 428 Y HA 0.230 4.820 4.550 0.068 0.000 0.268 428 Y C -0.383 175.571 175.900 0.089 0.000 1.142 428 Y CA -0.347 57.657 58.100 -0.159 0.000 1.193 428 Y CB 1.055 39.557 38.460 0.070 0.000 1.176 428 Y HN -0.198 nan 8.280 nan 0.000 0.542 429 T N 1.440 116.090 114.554 0.160 0.000 2.823 429 T HA 0.254 4.651 4.350 0.079 0.000 0.279 429 T C -0.153 174.664 174.700 0.194 0.000 0.998 429 T CA -0.876 61.311 62.100 0.145 0.000 0.994 429 T CB 1.245 70.147 68.868 0.056 0.000 0.960 429 T HN -0.057 nan 8.240 nan 0.000 0.448 430 Q N 1.705 121.586 119.800 0.135 0.000 2.349 430 Q HA 0.207 4.594 4.340 0.079 0.000 0.287 430 Q C 0.208 176.151 176.000 -0.096 0.000 1.044 430 Q CA 0.285 56.078 55.803 -0.016 0.000 0.918 430 Q CB 0.474 29.222 28.738 0.017 0.000 1.242 430 Q HN 0.582 nan 8.270 nan 0.000 0.405 431 S N 1.918 117.410 115.700 -0.347 0.000 2.672 431 S HA 0.244 4.761 4.470 0.079 0.000 0.276 431 S C 0.345 174.889 174.600 -0.093 0.000 1.207 431 S CA -0.864 57.178 58.200 -0.262 0.000 1.002 431 S CB 0.610 63.518 63.200 -0.485 0.000 0.998 431 S HN 0.676 nan 8.310 nan 0.000 0.542 432 N N 0.352 119.009 118.700 -0.071 0.000 2.381 432 N HA 0.362 5.149 4.740 0.079 0.000 0.254 432 N C -1.007 174.516 175.510 0.022 0.000 1.264 432 N CA -0.463 52.560 53.050 -0.046 0.000 0.942 432 N CB 0.181 38.657 38.487 -0.019 0.000 1.190 432 N HN 0.451 nan 8.380 nan 0.000 0.495 433 S N -1.456 114.279 115.700 0.057 0.000 2.537 433 S HA 0.644 5.161 4.470 0.079 0.000 0.270 433 S C -1.123 173.522 174.600 0.076 0.000 1.142 433 S CA -0.908 57.332 58.200 0.066 0.000 0.870 433 S CB 1.332 64.563 63.200 0.051 0.000 1.112 433 S HN 0.467 nan 8.310 nan 0.000 0.466 434 V N 0.901 120.877 119.914 0.103 0.000 2.789 434 V HA 0.733 4.900 4.120 0.079 0.000 0.311 434 V C -0.816 175.357 176.094 0.130 0.000 1.073 434 V CA -0.648 61.721 62.300 0.115 0.000 0.921 434 V CB 1.782 33.716 31.823 0.185 0.000 1.009 434 V HN 1.174 nan 8.190 nan 0.000 0.426 435 C N 5.058 124.409 119.300 0.086 0.000 2.481 435 C HA 0.764 5.271 4.460 0.079 0.000 0.324 435 C C -1.262 173.782 174.990 0.090 0.000 1.170 435 C CA -0.587 58.505 59.018 0.123 0.000 1.361 435 C CB 0.570 28.352 27.740 0.071 0.000 1.977 435 C HN 0.771 nan 8.230 nan 0.000 0.459 436 Y N 3.508 123.807 120.300 -0.001 0.000 2.361 436 Y HA 0.695 5.291 4.550 0.077 0.000 0.332 436 Y C 0.620 176.468 175.900 -0.087 0.000 1.101 436 Y CA -0.125 57.958 58.100 -0.029 0.000 1.137 436 Y CB 1.575 40.014 38.460 -0.035 0.000 1.207 436 Y HN 0.968 nan 8.280 nan 0.000 0.463 437 A N 3.323 126.168 122.820 0.042 0.000 2.539 437 A HA 0.871 5.239 4.320 0.079 0.000 0.296 437 A C -1.244 176.293 177.584 -0.079 0.000 1.073 437 A CA -0.857 51.148 52.037 -0.052 0.000 0.700 437 A CB 2.174 21.157 19.000 -0.028 0.000 1.296 437 A HN 0.694 nan 8.150 nan 0.000 0.405 438 K N 0.644 120.962 120.400 -0.138 0.000 2.587 438 K HA 0.412 4.779 4.320 0.079 0.000 0.276 438 K C -1.349 175.222 176.600 -0.047 0.000 0.956 438 K CA -0.413 55.819 56.287 -0.091 0.000 0.857 438 K CB 1.271 33.700 32.500 -0.118 0.000 1.431 438 K HN 0.663 nan 8.250 nan 0.000 0.420 439 D N 1.667 122.079 120.400 0.021 0.000 2.837 439 D HA -0.183 4.504 4.640 0.079 0.000 0.230 439 D C 0.538 176.870 176.300 0.054 0.000 1.152 439 D CA 2.026 56.070 54.000 0.072 0.000 0.736 439 D CB -1.271 39.631 40.800 0.169 0.000 1.084 439 D HN 1.057 nan 8.370 nan 0.000 0.429 440 G N -0.204 108.606 108.800 0.017 0.000 2.148 440 G HA2 -0.314 3.693 3.960 0.079 0.000 0.254 440 G HA3 -0.314 3.693 3.960 0.079 0.000 0.254 440 G C 0.116 175.025 174.900 0.015 0.000 0.981 440 G CA 1.018 46.129 45.100 0.019 0.000 0.670 440 G HN 0.801 nan 8.290 nan 0.000 0.528 441 Q N -1.068 118.723 119.800 -0.015 0.000 2.456 441 Q HA 0.751 5.138 4.340 0.079 0.000 0.283 441 Q C -0.467 175.477 176.000 -0.094 0.000 1.084 441 Q CA -1.199 54.585 55.803 -0.032 0.000 0.801 441 Q CB 2.259 30.986 28.738 -0.018 0.000 1.434 441 Q HN 0.310 nan 8.270 nan 0.000 0.419 442 V N 2.978 122.850 119.914 -0.070 0.000 2.572 442 V HA 0.041 4.208 4.120 0.079 0.000 0.291 442 V C 0.977 176.934 176.094 -0.229 0.000 1.039 442 V CA 0.424 62.673 62.300 -0.086 0.000 1.055 442 V CB 0.392 32.205 31.823 -0.016 0.000 0.969 442 V HN 0.861 nan 8.190 nan 0.000 0.482 443 I N 1.367 121.757 120.570 -0.299 0.000 4.288 443 I HA 0.674 4.892 4.170 0.079 0.000 0.331 443 I C 0.719 176.713 176.117 -0.204 0.000 1.322 443 I CA 0.197 61.159 61.300 -0.564 0.000 1.149 443 I CB 0.893 38.254 38.000 -1.066 0.000 1.112 443 I HN 0.624 nan 8.210 nan 0.000 0.403 444 G N 2.025 110.786 108.800 -0.065 0.000 2.750 444 G HA2 0.614 4.622 3.960 0.079 0.000 0.298 444 G HA3 0.614 4.622 3.960 0.079 0.000 0.298 444 G C -1.972 172.996 174.900 0.113 0.000 1.412 444 G CA -0.373 44.727 45.100 -0.001 0.000 1.078 444 G HN 0.155 nan 8.290 nan 0.000 0.573 445 I N 1.428 122.053 120.570 0.092 0.000 2.619 445 I HA 0.793 5.010 4.170 0.079 0.000 0.292 445 I C 0.127 176.303 176.117 0.097 0.000 1.100 445 I CA -0.753 60.611 61.300 0.108 0.000 1.043 445 I CB 2.200 40.236 38.000 0.061 0.000 1.239 445 I HN 0.704 nan 8.210 nan 0.000 0.420 446 G N 5.332 114.201 108.800 0.115 0.000 2.461 446 G HA2 0.825 4.832 3.960 0.079 0.000 0.323 446 G HA3 0.825 4.832 3.960 0.079 0.000 0.323 446 G C -1.542 173.403 174.900 0.076 0.000 1.229 446 G CA -0.439 44.719 45.100 0.098 0.000 0.941 446 G HN 0.853 nan 8.290 nan 0.000 0.477 447 A N 0.417 123.273 122.820 0.059 0.000 2.498 447 A HA 0.850 5.217 4.320 0.079 0.000 0.298 447 A C 0.834 178.444 177.584 0.043 0.000 1.075 447 A CA 0.205 52.269 52.037 0.045 0.000 0.714 447 A CB 1.319 20.339 19.000 0.033 0.000 1.299 447 A HN 2.510 nan 8.150 nan 0.000 0.407 448 G N 0.042 108.863 108.800 0.035 0.000 2.168 448 G HA2 -0.210 3.797 3.960 0.079 0.000 0.263 448 G HA3 -0.210 3.797 3.960 0.079 0.000 0.263 448 G C 0.235 175.162 174.900 0.046 0.000 0.977 448 G CA 0.728 45.854 45.100 0.044 0.000 0.659 448 G HN 0.828 nan 8.290 nan 0.000 0.533 449 Q N -0.636 119.194 119.800 0.050 0.000 2.318 449 Q HA 0.522 4.909 4.340 0.079 0.000 0.222 449 Q C 1.434 177.462 176.000 0.046 0.000 1.003 449 Q CA 0.028 55.873 55.803 0.070 0.000 0.936 449 Q CB 0.512 29.317 28.738 0.111 0.000 1.204 449 Q HN 0.645 nan 8.270 nan 0.000 0.524 450 Q N -0.388 119.450 119.800 0.063 0.000 2.422 450 Q HA 0.135 4.522 4.340 0.079 0.000 0.255 450 Q C 0.263 176.256 176.000 -0.012 0.000 0.864 450 Q CA 0.065 55.875 55.803 0.012 0.000 0.968 450 Q CB 0.850 29.596 28.738 0.014 0.000 1.130 450 Q HN 0.545 nan 8.270 nan 0.000 0.556 451 S N 0.002 115.690 115.700 -0.020 0.000 2.541 451 S HA 0.328 4.845 4.470 0.079 0.000 0.283 451 S C 0.532 175.142 174.600 0.017 0.000 1.196 451 S CA -0.592 57.553 58.200 -0.091 0.000 1.062 451 S CB 2.102 65.065 63.200 -0.395 0.000 1.009 451 S HN 0.136 nan 8.310 nan 0.000 0.502 452 R N 2.701 123.227 120.500 0.043 0.000 2.073 452 R HA 0.017 4.405 4.340 0.079 0.000 0.234 452 R C 1.905 178.310 176.300 0.174 0.000 1.134 452 R CA 2.052 58.225 56.100 0.121 0.000 0.952 452 R CB -1.150 29.235 30.300 0.141 0.000 0.850 452 R HN 0.780 nan 8.270 nan 0.000 0.433 453 I N 0.397 121.054 120.570 0.145 0.000 2.361 453 I HA -0.220 3.997 4.170 0.079 0.000 0.251 453 I C 1.530 177.784 176.117 0.228 0.000 1.133 453 I CA 1.624 63.020 61.300 0.160 0.000 1.413 453 I CB -0.471 37.608 38.000 0.132 0.000 1.073 453 I HN 0.259 nan 8.210 nan 0.000 0.424 454 H N -0.690 118.434 119.070 0.090 0.000 2.319 454 H HA -0.205 4.397 4.556 0.077 0.000 0.299 454 H C 2.510 177.890 175.328 0.086 0.000 1.092 454 H CA 1.774 57.867 56.048 0.074 0.000 1.302 454 H CB -1.052 28.746 29.762 0.060 0.000 1.373 454 H HN 0.481 nan 8.280 nan 0.000 0.497 455 C N 0.288 119.735 119.300 0.245 0.000 2.446 455 C HA -0.127 4.380 4.460 0.079 0.000 0.277 455 C C 2.800 177.913 174.990 0.206 0.000 1.275 455 C CA 1.633 60.762 59.018 0.185 0.000 1.727 455 C CB -1.088 26.747 27.740 0.159 0.000 2.010 455 C HN 0.615 nan 8.230 nan 0.000 0.486 456 T N 0.293 114.985 114.554 0.230 0.000 2.759 456 T HA -0.191 4.207 4.350 0.079 0.000 0.269 456 T C 1.934 176.787 174.700 0.256 0.000 1.042 456 T CA 1.581 63.838 62.100 0.262 0.000 1.140 456 T CB -0.279 68.698 68.868 0.182 0.000 0.864 456 T HN 0.616 nan 8.240 nan 0.000 0.455 457 R N 0.156 120.762 120.500 0.176 0.000 2.075 457 R HA 0.205 4.593 4.340 0.079 0.000 0.226 457 R C 2.535 178.880 176.300 0.075 0.000 1.114 457 R CA 0.633 56.803 56.100 0.116 0.000 0.972 457 R CB -0.496 29.861 30.300 0.095 0.000 0.869 457 R HN 0.300 nan 8.270 nan 0.000 0.437 458 L N 0.519 121.789 121.223 0.078 0.000 1.989 458 L HA -0.196 4.191 4.340 0.079 0.000 0.211 458 L C 2.268 179.168 176.870 0.050 0.000 1.071 458 L CA 1.822 56.693 54.840 0.051 0.000 0.749 458 L CB -0.384 41.707 42.059 0.054 0.000 0.890 458 L HN 0.241 nan 8.230 nan 0.000 0.431 459 A N -0.487 122.394 122.820 0.101 0.000 2.015 459 A HA -0.068 4.299 4.320 0.079 0.000 0.219 459 A C 2.226 179.691 177.584 -0.198 0.000 1.163 459 A CA 1.311 53.398 52.037 0.082 0.000 0.646 459 A CB -1.091 18.085 19.000 0.294 0.000 0.806 459 A HN 0.575 nan 8.150 nan 0.000 0.448 460 G N -0.045 108.630 108.800 -0.208 0.000 2.402 460 G HA2 -0.191 3.816 3.960 0.079 0.000 0.216 460 G HA3 -0.191 3.816 3.960 0.079 0.000 0.216 460 G C 1.067 175.820 174.900 -0.245 0.000 1.162 460 G CA 1.122 45.934 45.100 -0.479 0.000 0.777 460 G HN 0.442 nan 8.290 nan 0.000 0.539 461 D N 0.730 121.079 120.400 -0.085 0.000 2.178 461 D HA -0.050 4.637 4.640 0.079 0.000 0.201 461 D C 2.488 178.793 176.300 0.008 0.000 0.980 461 D CA 0.681 54.670 54.000 -0.018 0.000 0.842 461 D CB -0.010 40.792 40.800 0.005 0.000 0.948 461 D HN 0.248 nan 8.370 nan 0.000 0.472 462 K N 0.703 121.098 120.400 -0.008 0.000 2.097 462 K HA 0.014 4.381 4.320 0.079 0.000 0.205 462 K C 2.098 178.752 176.600 0.090 0.000 1.050 462 K CA 0.931 57.247 56.287 0.048 0.000 0.938 462 K CB -0.203 32.320 32.500 0.038 0.000 0.718 462 K HN 0.074 nan 8.250 nan 0.000 0.442 463 A N 2.152 124.948 122.820 -0.041 0.000 1.930 463 A HA -0.176 4.191 4.320 0.079 0.000 0.217 463 A C 1.932 179.663 177.584 0.245 0.000 1.175 463 A CA 1.532 53.586 52.037 0.028 0.000 0.627 463 A CB -0.725 18.089 19.000 -0.311 0.000 0.815 463 A HN 0.411 nan 8.150 nan 0.000 0.443 464 N N 0.090 118.881 118.700 0.151 0.000 2.069 464 N HA -0.148 4.639 4.740 0.079 0.000 0.191 464 N C 1.883 177.579 175.510 0.311 0.000 1.031 464 N CA 1.629 54.824 53.050 0.242 0.000 0.852 464 N CB -0.144 38.429 38.487 0.143 0.000 1.018 464 N HN 0.468 nan 8.380 nan 0.000 0.423 465 S N 0.002 115.849 115.700 0.246 0.000 2.402 465 S HA -0.137 4.381 4.470 0.079 0.000 0.229 465 S C 1.372 176.156 174.600 0.308 0.000 1.021 465 S CA 0.632 58.968 58.200 0.228 0.000 0.974 465 S CB -0.384 62.919 63.200 0.173 0.000 0.800 465 S HN 0.519 nan 8.310 nan 0.000 0.484 466 W N 1.661 123.099 121.300 0.231 0.000 2.355 466 W HA -0.100 4.608 4.660 0.080 0.000 0.309 466 W C 2.133 178.960 176.519 0.514 0.000 1.206 466 W CA 1.151 58.678 57.345 0.305 0.000 1.284 466 W CB -0.487 29.128 29.460 0.259 0.000 1.145 466 W HN 0.390 nan 8.180 nan 0.000 0.502 467 W N 0.604 122.107 121.300 0.339 0.000 2.388 467 W HA -0.176 4.531 4.660 0.078 0.000 0.294 467 W C 1.642 178.418 176.519 0.428 0.000 1.212 467 W CA 1.150 58.607 57.345 0.186 0.000 1.271 467 W CB -0.474 29.141 29.460 0.258 0.000 1.126 467 W HN -0.150 nan 8.180 nan 0.000 0.535 468 L N 0.735 122.122 121.223 0.273 0.000 2.362 468 L HA -0.126 4.261 4.340 0.079 0.000 0.219 468 L C 2.343 179.175 176.870 -0.064 0.000 1.134 468 L CA 0.988 55.867 54.840 0.064 0.000 0.807 468 L CB -0.527 41.587 42.059 0.091 0.000 0.927 468 L HN -0.120 nan 8.230 nan 0.000 0.447 469 R N -1.521 118.971 120.500 -0.013 0.000 2.299 469 R HA -0.043 4.344 4.340 0.079 0.000 0.197 469 R C 1.398 177.532 176.300 -0.277 0.000 0.971 469 R CA 0.378 56.411 56.100 -0.111 0.000 1.030 469 R CB -0.058 30.176 30.300 -0.110 0.000 0.932 469 R HN 0.403 nan 8.270 nan 0.000 0.477 470 H N -1.693 117.181 119.070 -0.327 0.000 2.592 470 H HA 0.065 4.668 4.556 0.078 0.000 0.265 470 H C 0.292 175.330 175.328 -0.483 0.000 0.955 470 H CA -0.003 55.842 56.048 -0.339 0.000 1.175 470 H CB 0.067 29.592 29.762 -0.395 0.000 1.433 470 H HN 0.077 nan 8.280 nan 0.000 0.537 471 H N 2.311 120.858 119.070 -0.872 0.000 3.094 471 H HA -0.054 4.549 4.556 0.079 0.000 0.320 471 H C -1.639 173.235 175.328 -0.758 0.000 1.000 471 H CA -1.302 53.837 56.048 -1.514 0.000 1.413 471 H CB 1.156 30.110 29.762 -1.346 0.000 1.405 471 H HN 0.140 nan 8.280 nan 0.000 0.586 472 P HA -0.151 nan 4.420 nan 0.000 0.218 472 P C 1.527 178.771 177.300 -0.094 0.000 1.146 472 P CA 1.390 64.324 63.100 -0.276 0.000 0.813 472 P CB 0.048 31.585 31.700 -0.271 0.000 0.778 473 R N -0.530 120.037 120.500 0.112 0.000 2.153 473 R HA -0.027 4.360 4.340 0.079 0.000 0.218 473 R C 1.771 178.012 176.300 -0.099 0.000 1.072 473 R CA 0.791 56.897 56.100 0.010 0.000 0.990 473 R CB -0.354 29.948 30.300 0.004 0.000 0.889 473 R HN 0.072 nan 8.270 nan 0.000 0.452 474 V N 1.076 120.934 119.914 -0.093 0.000 2.323 474 V HA -0.198 3.969 4.120 0.079 0.000 0.244 474 V C 2.263 178.295 176.094 -0.104 0.000 1.041 474 V CA 1.343 63.569 62.300 -0.122 0.000 1.025 474 V CB -0.322 31.459 31.823 -0.071 0.000 0.656 474 V HN 0.308 nan 8.190 nan 0.000 0.451 475 L N 1.079 122.231 121.223 -0.119 0.000 2.127 475 L HA -0.140 4.248 4.340 0.079 0.000 0.211 475 L C 2.334 179.149 176.870 -0.092 0.000 1.089 475 L CA 1.892 56.665 54.840 -0.111 0.000 0.757 475 L CB -0.692 41.291 42.059 -0.126 0.000 0.899 475 L HN 0.541 nan 8.230 nan 0.000 0.434 476 S N -1.786 113.858 115.700 -0.094 0.000 2.631 476 S HA 0.146 4.664 4.470 0.079 0.000 0.217 476 S C 0.812 175.355 174.600 -0.095 0.000 0.958 476 S CA -0.268 57.880 58.200 -0.087 0.000 0.920 476 S CB -0.284 62.867 63.200 -0.082 0.000 0.776 476 S HN 0.192 nan 8.310 nan 0.000 0.517 477 M N 2.258 121.796 119.600 -0.102 0.000 2.248 477 M HA 0.082 4.609 4.480 0.079 0.000 0.343 477 M C 0.086 176.331 176.300 -0.092 0.000 1.243 477 M CA 0.917 56.134 55.300 -0.138 0.000 1.025 477 M CB 0.264 32.792 32.600 -0.119 0.000 1.759 477 M HN 0.092 nan 8.290 nan 0.000 0.452 478 K N 4.202 124.515 120.400 -0.145 0.000 2.530 478 K HA 0.363 4.730 4.320 0.079 0.000 0.230 478 K C -1.316 175.183 176.600 -0.168 0.000 1.002 478 K CA -0.260 55.974 56.287 -0.088 0.000 1.014 478 K CB 0.755 33.213 32.500 -0.070 0.000 1.286 478 K HN 0.366 nan 8.250 nan 0.000 0.480 479 F N 1.564 121.422 119.950 -0.154 0.000 2.378 479 F HA 0.238 4.812 4.527 0.079 0.000 0.319 479 F C 1.222 176.898 175.800 -0.206 0.000 1.155 479 F CA -0.263 57.548 58.000 -0.315 0.000 1.157 479 F CB 0.619 39.389 39.000 -0.384 0.000 1.252 479 F HN 0.082 nan 8.300 nan 0.000 0.550 480 K N 0.901 121.284 120.400 -0.029 0.000 2.154 480 K HA 0.544 4.911 4.320 0.079 0.000 0.264 480 K C -0.249 176.335 176.600 -0.027 0.000 1.008 480 K CA -0.718 55.547 56.287 -0.037 0.000 0.937 480 K CB 0.878 33.342 32.500 -0.060 0.000 1.002 480 K HN 0.695 nan 8.250 nan 0.000 0.469 481 A N 0.798 123.601 122.820 -0.029 0.000 2.462 481 A HA 0.408 4.775 4.320 0.079 0.000 0.243 481 A C 1.149 178.708 177.584 -0.041 0.000 1.076 481 A CA 0.799 52.816 52.037 -0.033 0.000 0.773 481 A CB -0.401 18.584 19.000 -0.025 0.000 1.010 481 A HN 0.911 nan 8.150 nan 0.000 0.493 482 G N 0.486 109.258 108.800 -0.048 0.000 2.234 482 G HA2 -0.186 3.821 3.960 0.079 0.000 0.235 482 G HA3 -0.186 3.821 3.960 0.079 0.000 0.235 482 G C 0.286 175.148 174.900 -0.064 0.000 0.997 482 G CA 0.049 45.120 45.100 -0.048 0.000 0.623 482 G HN 1.442 nan 8.290 nan 0.000 0.514 483 V N 3.487 123.350 119.914 -0.086 0.000 2.485 483 V HA 0.261 4.428 4.120 0.079 0.000 0.287 483 V C 1.004 177.011 176.094 -0.146 0.000 1.022 483 V CA -0.167 62.060 62.300 -0.122 0.000 1.067 483 V CB 1.158 32.887 31.823 -0.157 0.000 0.967 483 V HN 0.271 nan 8.190 nan 0.000 0.479 484 K N 4.802 125.131 120.400 -0.119 0.000 2.319 484 K HA 0.192 4.559 4.320 0.079 0.000 0.265 484 K C 1.380 177.894 176.600 -0.142 0.000 1.000 484 K CA -0.184 56.042 56.287 -0.101 0.000 0.943 484 K CB 0.771 33.239 32.500 -0.053 0.000 0.950 484 K HN 0.520 nan 8.250 nan 0.000 0.485 485 R N 1.018 121.450 120.500 -0.112 0.000 2.117 485 R HA -0.205 4.183 4.340 0.079 0.000 0.243 485 R C 2.111 178.358 176.300 -0.088 0.000 1.143 485 R CA 1.746 57.775 56.100 -0.119 0.000 0.968 485 R CB -0.409 29.850 30.300 -0.068 0.000 0.863 485 R HN 0.701 nan 8.270 nan 0.000 0.444 486 A N 1.327 124.132 122.820 -0.024 0.000 1.930 486 A HA -0.171 4.196 4.320 0.079 0.000 0.217 486 A C 1.923 179.503 177.584 -0.006 0.000 1.175 486 A CA 1.258 53.321 52.037 0.042 0.000 0.627 486 A CB -0.247 18.833 19.000 0.134 0.000 0.815 486 A HN 0.320 nan 8.150 nan 0.000 0.443 487 E N -0.342 119.824 120.200 -0.056 0.000 2.072 487 E HA -0.111 4.286 4.350 0.079 0.000 0.191 487 E C 1.970 178.476 176.600 -0.157 0.000 0.985 487 E CA 1.236 57.587 56.400 -0.080 0.000 0.801 487 E CB -0.240 29.404 29.700 -0.093 0.000 0.750 487 E HN 0.383 nan 8.360 nan 0.000 0.452 488 V N 1.254 120.971 119.914 -0.329 0.000 2.407 488 V HA -0.282 3.885 4.120 0.079 0.000 0.248 488 V C 2.537 178.468 176.094 -0.272 0.000 1.055 488 V CA 1.991 63.921 62.300 -0.617 0.000 1.049 488 V CB -0.578 30.722 31.823 -0.871 0.000 0.662 488 V HN 0.331 nan 8.190 nan 0.000 0.455 489 S N 0.747 116.368 115.700 -0.132 0.000 2.355 489 S HA -0.248 4.270 4.470 0.079 0.000 0.222 489 S C 1.752 176.388 174.600 0.061 0.000 1.031 489 S CA 2.105 60.296 58.200 -0.014 0.000 0.993 489 S CB -0.784 62.427 63.200 0.018 0.000 0.859 489 S HN 0.742 nan 8.310 nan 0.000 0.453 490 N N 1.820 120.558 118.700 0.062 0.000 2.120 490 N HA -0.023 4.764 4.740 0.079 0.000 0.188 490 N C 2.136 177.772 175.510 0.210 0.000 1.024 490 N CA 1.102 54.217 53.050 0.108 0.000 0.852 490 N CB -0.454 38.079 38.487 0.077 0.000 1.003 490 N HN 0.586 nan 8.380 nan 0.000 0.424 491 A N 1.288 124.252 122.820 0.240 0.000 1.908 491 A HA -0.126 4.241 4.320 0.079 0.000 0.218 491 A C 2.150 180.125 177.584 0.651 0.000 1.181 491 A CA 1.172 53.504 52.037 0.492 0.000 0.627 491 A CB -0.634 18.541 19.000 0.292 0.000 0.818 491 A HN 0.205 nan 8.150 nan 0.000 0.445 492 I N -0.784 120.037 120.570 0.418 0.000 2.286 492 I HA -0.188 4.030 4.170 0.079 0.000 0.245 492 I C 2.201 178.509 176.117 0.320 0.000 1.104 492 I CA 1.634 63.166 61.300 0.386 0.000 1.397 492 I CB -0.320 37.824 38.000 0.239 0.000 1.072 492 I HN 0.317 nan 8.210 nan 0.000 0.417 493 D N 0.541 121.079 120.400 0.229 0.000 2.144 493 D HA -0.222 4.465 4.640 0.079 0.000 0.199 493 D C 2.231 178.625 176.300 0.157 0.000 0.984 493 D CA 1.398 55.500 54.000 0.170 0.000 0.834 493 D CB 0.100 40.979 40.800 0.131 0.000 0.955 493 D HN 0.277 nan 8.370 nan 0.000 0.465 494 Q N -1.394 118.524 119.800 0.196 0.000 2.119 494 Q HA -0.176 4.211 4.340 0.079 0.000 0.201 494 Q C 1.743 177.768 176.000 0.042 0.000 0.972 494 Q CA 1.100 56.969 55.803 0.109 0.000 0.847 494 Q CB -0.189 28.632 28.738 0.137 0.000 0.903 494 Q HN 0.474 nan 8.270 nan 0.000 0.433 495 Y N 0.517 120.837 120.300 0.034 0.000 2.163 495 Y HA -0.216 4.381 4.550 0.078 0.000 0.288 495 Y C 2.061 177.919 175.900 -0.070 0.000 1.136 495 Y CA 1.560 59.629 58.100 -0.052 0.000 1.147 495 Y CB -0.165 38.413 38.460 0.196 0.000 0.987 495 Y HN 0.043 nan 8.280 nan 0.000 0.509 496 V N -2.070 117.870 119.914 0.042 0.000 2.871 496 V HA -0.064 4.103 4.120 0.079 0.000 0.256 496 V C 1.681 177.732 176.094 -0.071 0.000 1.082 496 V CA 1.930 64.195 62.300 -0.059 0.000 1.105 496 V CB -1.325 30.534 31.823 0.061 0.000 0.713 496 V HN 0.584 nan 8.190 nan 0.000 0.473 497 T N -3.176 111.351 114.554 -0.045 0.000 3.086 497 T HA 0.394 4.791 4.350 0.079 0.000 0.250 497 T C 1.586 176.233 174.700 -0.088 0.000 1.074 497 T CA 0.566 62.641 62.100 -0.041 0.000 0.988 497 T CB -0.020 68.849 68.868 0.001 0.000 0.988 497 T HN 1.594 nan 8.240 nan 0.000 0.530 498 G N 2.265 110.969 108.800 -0.159 0.000 2.249 498 G HA2 -0.272 3.735 3.960 0.079 0.000 0.273 498 G HA3 -0.272 3.735 3.960 0.079 0.000 0.273 498 G C 0.458 175.268 174.900 -0.150 0.000 1.036 498 G CA 0.577 45.562 45.100 -0.191 0.000 0.824 498 G HN 1.133 nan 8.290 nan 0.000 0.504 499 T N -2.632 111.847 114.554 -0.125 0.000 3.293 499 T HA 0.570 4.967 4.350 0.079 0.000 0.276 499 T C 1.895 176.534 174.700 -0.100 0.000 1.003 499 T CA 0.187 62.234 62.100 -0.088 0.000 0.916 499 T CB 0.174 69.018 68.868 -0.040 0.000 1.134 499 T HN 0.249 nan 8.240 nan 0.000 0.530 500 I N 1.611 122.065 120.570 -0.193 0.000 2.233 500 I HA 0.302 4.519 4.170 0.079 0.000 0.243 500 I C 1.748 177.795 176.117 -0.116 0.000 1.093 500 I CA 1.455 62.607 61.300 -0.247 0.000 1.380 500 I CB -0.418 37.231 38.000 -0.586 0.000 1.067 500 I HN 0.752 nan 8.210 nan 0.000 0.413 501 G N -0.078 108.655 108.800 -0.112 0.000 2.384 501 G HA2 -0.128 3.879 3.960 0.079 0.000 0.668 501 G HA3 -0.128 3.879 3.960 0.079 0.000 0.668 501 G C -0.122 174.741 174.900 -0.061 0.000 1.280 501 G CA -0.285 44.780 45.100 -0.058 0.000 0.992 501 G HN 0.100 nan 8.290 nan 0.000 0.512 502 E N -0.828 119.353 120.200 -0.031 0.000 2.288 502 E HA 0.218 4.615 4.350 0.079 0.000 0.200 502 E C 1.562 178.157 176.600 -0.008 0.000 0.880 502 E CA 1.654 58.037 56.400 -0.029 0.000 0.971 502 E CB 0.313 29.997 29.700 -0.027 0.000 0.954 502 E HN 0.623 nan 8.360 nan 0.000 0.489 503 D N -0.498 119.906 120.400 0.007 0.000 2.970 503 D HA 0.011 4.698 4.640 0.079 0.000 0.236 503 D C 1.331 177.652 176.300 0.035 0.000 1.415 503 D CA -0.021 53.989 54.000 0.016 0.000 1.279 503 D CB -0.761 40.046 40.800 0.011 0.000 0.932 503 D HN -0.157 nan 8.370 nan 0.000 0.216 504 E N 0.558 120.779 120.200 0.035 0.000 2.204 504 E HA -0.133 4.265 4.350 0.079 0.000 0.195 504 E C 1.240 177.880 176.600 0.068 0.000 0.990 504 E CA 0.894 57.322 56.400 0.047 0.000 0.821 504 E CB -0.254 29.468 29.700 0.037 0.000 0.750 504 E HN 0.378 nan 8.360 nan 0.000 0.477 505 D N 1.285 121.721 120.400 0.061 0.000 2.097 505 D HA -0.120 4.567 4.640 0.079 0.000 0.195 505 D C 2.050 178.427 176.300 0.127 0.000 0.989 505 D CA 0.515 54.562 54.000 0.079 0.000 0.827 505 D CB -0.265 40.559 40.800 0.041 0.000 0.966 505 D HN 0.124 nan 8.370 nan 0.000 0.456 506 L N 0.568 121.849 121.223 0.096 0.000 2.093 506 L HA -0.133 4.255 4.340 0.079 0.000 0.208 506 L C 2.240 179.243 176.870 0.221 0.000 1.085 506 L CA 0.881 55.804 54.840 0.138 0.000 0.755 506 L CB -0.085 42.010 42.059 0.059 0.000 0.904 506 L HN -0.060 nan 8.230 nan 0.000 0.435 507 V N -0.004 119.999 119.914 0.147 0.000 2.427 507 V HA -0.271 3.896 4.120 0.079 0.000 0.248 507 V C 2.427 178.609 176.094 0.148 0.000 1.051 507 V CA 1.616 63.995 62.300 0.131 0.000 1.048 507 V CB -0.435 31.436 31.823 0.080 0.000 0.666 507 V HN 0.436 nan 8.190 nan 0.000 0.456 508 K N -1.179 119.314 120.400 0.154 0.000 2.001 508 K HA -0.238 4.130 4.320 0.079 0.000 0.208 508 K C 1.933 178.654 176.600 0.201 0.000 1.048 508 K CA 2.020 58.393 56.287 0.143 0.000 0.932 508 K CB -0.378 32.197 32.500 0.126 0.000 0.715 508 K HN 0.537 nan 8.250 nan 0.000 0.437 509 W N 2.528 123.891 121.300 0.105 0.000 2.304 509 W HA -0.282 4.425 4.660 0.078 0.000 0.315 509 W C 2.009 178.700 176.519 0.286 0.000 1.233 509 W CA 1.782 59.235 57.345 0.180 0.000 1.261 509 W CB -0.151 29.411 29.460 0.169 0.000 1.150 509 W HN 0.131 nan 8.180 nan 0.000 0.494 510 Q N -0.553 119.484 119.800 0.395 0.000 2.170 510 Q HA -0.165 4.222 4.340 0.079 0.000 0.203 510 Q C 2.298 178.381 176.000 0.139 0.000 0.976 510 Q CA 1.462 57.404 55.803 0.232 0.000 0.858 510 Q CB -0.656 28.214 28.738 0.220 0.000 0.907 510 Q HN 0.390 nan 8.270 nan 0.000 0.433 511 A N 0.400 123.267 122.820 0.079 0.000 2.178 511 A HA -0.119 4.249 4.320 0.079 0.000 0.218 511 A C 1.784 179.329 177.584 -0.065 0.000 1.157 511 A CA 0.930 52.977 52.037 0.016 0.000 0.689 511 A CB -0.368 18.644 19.000 0.020 0.000 0.787 511 A HN 0.309 nan 8.150 nan 0.000 0.465 512 M N -1.546 117.944 119.600 -0.182 0.000 2.595 512 M HA 0.189 4.716 4.480 0.079 0.000 0.248 512 M C -0.713 175.223 176.300 -0.606 0.000 1.119 512 M CA 0.350 55.412 55.300 -0.396 0.000 1.079 512 M CB 0.133 32.419 32.600 -0.523 0.000 1.472 512 M HN 0.345 nan 8.290 nan 0.000 0.501 513 F N -0.497 119.257 119.950 -0.327 0.000 2.458 513 F HA 0.236 4.810 4.527 0.079 0.000 0.330 513 F C 1.311 176.970 175.800 -0.235 0.000 1.082 513 F CA -0.800 56.957 58.000 -0.405 0.000 0.995 513 F CB 0.843 39.508 39.000 -0.558 0.000 1.170 513 F HN -0.089 nan 8.300 nan 0.000 0.478 514 E N 0.292 120.470 120.200 -0.036 0.000 2.152 514 E HA -0.123 4.275 4.350 0.079 0.000 0.192 514 E C -0.005 176.576 176.600 -0.031 0.000 0.983 514 E CA 0.948 57.328 56.400 -0.033 0.000 0.818 514 E CB 0.258 29.935 29.700 -0.039 0.000 0.758 514 E HN 0.435 nan 8.360 nan 0.000 0.467 515 E N 0.172 120.347 120.200 -0.042 0.000 2.260 515 E HA 0.171 4.568 4.350 0.079 0.000 0.266 515 E C -1.491 175.009 176.600 -0.165 0.000 0.887 515 E CA -0.497 55.854 56.400 -0.082 0.000 0.777 515 E CB 1.609 31.257 29.700 -0.087 0.000 1.205 515 E HN -0.222 nan 8.360 nan 0.000 0.414 516 V N 7.180 126.984 119.914 -0.184 0.000 2.446 516 V HA 0.262 4.429 4.120 0.079 0.000 0.276 516 V C -1.605 174.296 176.094 -0.322 0.000 1.030 516 V CA -0.968 61.133 62.300 -0.331 0.000 1.033 516 V CB 0.223 31.950 31.823 -0.160 0.000 0.993 516 V HN 0.696 nan 8.190 nan 0.000 0.477 517 P HA 0.339 nan 4.420 nan 0.000 0.274 517 P C -0.412 176.825 177.300 -0.105 0.000 1.231 517 P CA -0.316 62.605 63.100 -0.299 0.000 0.790 517 P CB 1.007 32.433 31.700 -0.455 0.000 0.951 518 A N 2.821 125.611 122.820 -0.049 0.000 2.407 518 A HA 0.176 4.543 4.320 0.079 0.000 0.248 518 A C 0.611 178.241 177.584 0.077 0.000 1.082 518 A CA -0.372 51.663 52.037 -0.003 0.000 0.785 518 A CB -0.119 18.867 19.000 -0.023 0.000 1.020 518 A HN 0.510 nan 8.150 nan 0.000 0.489 519 Q N 0.564 120.373 119.800 0.015 0.000 2.421 519 Q HA 0.221 4.609 4.340 0.079 0.000 0.255 519 Q C -0.271 175.622 176.000 -0.177 0.000 1.013 519 Q CA 0.124 55.870 55.803 -0.094 0.000 0.895 519 Q CB 0.604 29.223 28.738 -0.198 0.000 1.271 519 Q HN 0.640 nan 8.270 nan 0.000 0.460 520 L N 1.559 122.547 121.223 -0.392 0.000 2.416 520 L HA 0.127 4.514 4.340 0.079 0.000 0.272 520 L C 0.578 177.308 176.870 -0.234 0.000 1.161 520 L CA -0.010 54.630 54.840 -0.333 0.000 0.845 520 L CB 0.378 42.158 42.059 -0.465 0.000 1.119 520 L HN 0.497 nan 8.230 nan 0.000 0.464 521 T N 1.331 115.799 114.554 -0.144 0.000 2.913 521 T HA 0.062 4.459 4.350 0.079 0.000 0.287 521 T C 1.098 175.749 174.700 -0.081 0.000 1.008 521 T CA -0.737 61.304 62.100 -0.098 0.000 1.067 521 T CB 1.527 70.362 68.868 -0.054 0.000 0.996 521 T HN 0.517 nan 8.240 nan 0.000 0.513 522 E N 1.341 121.501 120.200 -0.065 0.000 2.097 522 E HA -0.194 4.203 4.350 0.079 0.000 0.196 522 E C 2.376 178.973 176.600 -0.005 0.000 1.000 522 E CA 1.469 57.846 56.400 -0.038 0.000 0.804 522 E CB -0.477 29.203 29.700 -0.034 0.000 0.740 522 E HN 0.748 nan 8.360 nan 0.000 0.454 523 A N 1.184 124.003 122.820 -0.000 0.000 1.933 523 A HA -0.213 4.155 4.320 0.079 0.000 0.218 523 A C 2.001 179.616 177.584 0.052 0.000 1.175 523 A CA 1.626 53.677 52.037 0.024 0.000 0.628 523 A CB -0.403 18.607 19.000 0.017 0.000 0.814 523 A HN 0.248 nan 8.150 nan 0.000 0.444 524 E N -0.165 120.060 120.200 0.042 0.000 2.107 524 E HA -0.143 4.254 4.350 0.079 0.000 0.191 524 E C 1.996 178.679 176.600 0.137 0.000 0.982 524 E CA 1.130 57.583 56.400 0.088 0.000 0.809 524 E CB -0.123 29.600 29.700 0.039 0.000 0.756 524 E HN 0.599 nan 8.360 nan 0.000 0.459 525 K N 1.115 121.555 120.400 0.066 0.000 2.025 525 K HA -0.120 4.247 4.320 0.079 0.000 0.207 525 K C 2.148 178.862 176.600 0.190 0.000 1.049 525 K CA 0.915 57.268 56.287 0.108 0.000 0.933 525 K CB -0.051 32.459 32.500 0.017 0.000 0.714 525 K HN -0.085 nan 8.250 nan 0.000 0.438 526 K N 0.968 121.444 120.400 0.127 0.000 2.063 526 K HA -0.238 4.130 4.320 0.079 0.000 0.208 526 K C 2.347 179.035 176.600 0.148 0.000 1.048 526 K CA 1.533 57.891 56.287 0.119 0.000 0.928 526 K CB 0.049 32.592 32.500 0.072 0.000 0.713 526 K HN -0.035 nan 8.250 nan 0.000 0.442 527 Q N 0.074 119.971 119.800 0.161 0.000 2.119 527 Q HA -0.178 4.210 4.340 0.079 0.000 0.201 527 Q C 1.598 177.750 176.000 0.252 0.000 0.972 527 Q CA 1.606 57.512 55.803 0.172 0.000 0.847 527 Q CB -0.335 28.496 28.738 0.155 0.000 0.903 527 Q HN 0.520 nan 8.270 nan 0.000 0.433 528 W N 0.189 121.573 121.300 0.140 0.000 2.358 528 W HA -0.167 4.540 4.660 0.078 0.000 0.303 528 W C 1.476 178.215 176.519 0.366 0.000 1.208 528 W CA 1.224 58.674 57.345 0.176 0.000 1.274 528 W CB -0.169 29.383 29.460 0.154 0.000 1.138 528 W HN 0.197 nan 8.180 nan 0.000 0.515 529 I N 1.393 122.183 120.570 0.367 0.000 2.286 529 I HA -0.286 3.932 4.170 0.079 0.000 0.248 529 I C 2.615 178.808 176.117 0.127 0.000 1.115 529 I CA 1.464 62.969 61.300 0.343 0.000 1.392 529 I CB -0.789 37.379 38.000 0.279 0.000 1.065 529 I HN -0.066 nan 8.210 nan 0.000 0.418 530 A N 0.329 123.199 122.820 0.084 0.000 2.178 530 A HA -0.173 4.194 4.320 0.079 0.000 0.218 530 A C 2.150 179.700 177.584 -0.056 0.000 1.157 530 A CA 1.265 53.307 52.037 0.008 0.000 0.689 530 A CB -0.394 18.622 19.000 0.026 0.000 0.787 530 A HN 0.359 nan 8.150 nan 0.000 0.465 531 K N -1.183 119.171 120.400 -0.076 0.000 2.365 531 K HA 0.128 4.495 4.320 0.079 0.000 0.197 531 K C 0.116 176.535 176.600 -0.303 0.000 1.042 531 K CA -0.204 55.990 56.287 -0.155 0.000 0.987 531 K CB -0.096 32.271 32.500 -0.221 0.000 0.779 531 K HN 0.397 nan 8.250 nan 0.000 0.484 532 L N 1.947 122.857 121.223 -0.521 0.000 2.410 532 L HA 0.071 4.458 4.340 0.079 0.000 0.273 532 L C 0.045 176.648 176.870 -0.444 0.000 1.152 532 L CA 0.741 55.058 54.840 -0.872 0.000 0.855 532 L CB 0.666 41.954 42.059 -1.285 0.000 1.129 532 L HN 0.128 nan 8.230 nan 0.000 0.463 533 T N 1.681 116.014 114.554 -0.369 0.000 2.887 533 T HA 0.715 5.112 4.350 0.079 0.000 0.292 533 T C 0.266 174.879 174.700 -0.145 0.000 1.087 533 T CA -0.406 61.565 62.100 -0.214 0.000 1.009 533 T CB 1.467 70.244 68.868 -0.152 0.000 1.203 533 T HN 1.691 nan 8.240 nan 0.000 0.518 534 A N 0.017 122.779 122.820 -0.096 0.000 2.869 534 A HA -0.015 4.352 4.320 0.079 0.000 0.280 534 A C 0.338 178.017 177.584 0.158 0.000 1.458 534 A CA 0.558 52.651 52.037 0.094 0.000 0.776 534 A CB -2.689 16.423 19.000 0.186 0.000 1.028 534 A HN 1.290 nan 8.150 nan 0.000 0.547 535 V N 0.514 120.443 119.914 0.026 0.000 2.686 535 V HA 0.555 4.722 4.120 0.079 0.000 0.295 535 V C 0.994 177.166 176.094 0.130 0.000 1.057 535 V CA 0.233 62.565 62.300 0.053 0.000 1.012 535 V CB 1.778 33.615 31.823 0.023 0.000 1.006 535 V HN 0.626 nan 8.190 nan 0.000 0.477 536 S N 3.453 119.218 115.700 0.110 0.000 2.638 536 S HA 0.825 5.342 4.470 0.079 0.000 0.298 536 S C -0.646 173.938 174.600 -0.026 0.000 1.111 536 S CA -0.524 57.726 58.200 0.083 0.000 1.027 536 S CB 1.541 64.751 63.200 0.017 0.000 1.064 536 S HN 0.624 nan 8.310 nan 0.000 0.525 537 L N 1.318 122.502 121.223 -0.065 0.000 2.482 537 L HA 0.686 5.073 4.340 0.079 0.000 0.263 537 L C -1.084 175.745 176.870 -0.069 0.000 0.957 537 L CA -0.093 54.656 54.840 -0.152 0.000 0.836 537 L CB 2.098 43.982 42.059 -0.292 0.000 1.324 537 L HN 0.667 nan 8.230 nan 0.000 0.406 538 S N 2.177 117.842 115.700 -0.058 0.000 2.557 538 S HA 0.686 5.203 4.470 0.079 0.000 0.291 538 S C -1.251 173.323 174.600 -0.044 0.000 1.116 538 S CA -0.365 57.817 58.200 -0.029 0.000 0.992 538 S CB 1.817 65.019 63.200 0.004 0.000 1.028 538 S HN 0.656 nan 8.310 nan 0.000 0.484 539 S N 2.093 117.724 115.700 -0.115 0.000 2.482 539 S HA 0.352 4.869 4.470 0.079 0.000 0.303 539 S C 0.633 175.138 174.600 -0.159 0.000 1.091 539 S CA -0.637 57.453 58.200 -0.184 0.000 1.057 539 S CB 1.135 63.990 63.200 -0.575 0.000 1.031 539 S HN 0.874 nan 8.310 nan 0.000 0.485 540 D N 3.527 123.880 120.400 -0.080 0.000 2.269 540 D HA 0.168 4.855 4.640 0.079 0.000 0.208 540 D C 0.582 176.783 176.300 -0.164 0.000 0.963 540 D CA 0.717 54.681 54.000 -0.061 0.000 0.864 540 D CB -0.030 40.806 40.800 0.061 0.000 0.936 540 D HN 0.510 nan 8.370 nan 0.000 0.505 541 A N -0.707 122.005 122.820 -0.180 0.000 2.530 541 A HA 0.587 4.954 4.320 0.079 0.000 0.288 541 A C -0.588 176.779 177.584 -0.361 0.000 1.172 541 A CA -0.974 50.872 52.037 -0.319 0.000 0.733 541 A CB 0.414 19.227 19.000 -0.311 0.000 1.320 541 A HN 0.156 nan 8.150 nan 0.000 0.419 542 F N -1.023 118.790 119.950 -0.228 0.000 2.539 542 F HA 0.578 5.154 4.527 0.082 0.000 0.340 542 F C -0.715 174.982 175.800 -0.173 0.000 1.185 542 F CA -0.787 57.064 58.000 -0.249 0.000 1.333 542 F CB -0.262 38.616 39.000 -0.202 0.000 1.152 542 F HN 0.222 nan 8.300 nan 0.000 0.602 543 F N 3.077 123.197 119.950 0.282 0.000 2.424 543 F HA 0.354 4.929 4.527 0.080 0.000 0.356 543 F C -1.541 174.403 175.800 0.240 0.000 1.110 543 F CA -2.465 55.648 58.000 0.188 0.000 1.161 543 F CB 0.684 39.769 39.000 0.142 0.000 1.115 543 F HN 0.303 nan 8.300 nan 0.000 0.507 544 P HA -0.056 nan 4.420 nan 0.000 0.216 544 P C -0.286 176.742 177.300 -0.453 0.000 1.153 544 P CA 1.476 64.539 63.100 -0.062 0.000 0.844 544 P CB 0.333 31.930 31.700 -0.173 0.000 0.787 545 F N -2.114 117.944 119.950 0.181 0.000 2.654 545 F HA 0.395 4.970 4.527 0.079 0.000 0.334 545 F C 1.874 177.701 175.800 0.045 0.000 1.078 545 F CA -1.136 56.921 58.000 0.095 0.000 0.986 545 F CB 0.977 40.014 39.000 0.062 0.000 1.362 545 F HN -0.406 nan 8.300 nan 0.000 0.498 546 R N -0.252 120.395 120.500 0.245 0.000 2.276 546 R HA -0.036 4.351 4.340 0.079 0.000 0.203 546 R C 0.764 177.072 176.300 0.012 0.000 1.017 546 R CA 1.279 57.427 56.100 0.080 0.000 1.010 546 R CB -0.700 29.640 30.300 0.065 0.000 0.900 546 R HN 0.640 nan 8.270 nan 0.000 0.469 547 D N 1.362 121.794 120.400 0.054 0.000 2.172 547 D HA -0.256 4.432 4.640 0.079 0.000 0.196 547 D C 1.020 177.286 176.300 -0.057 0.000 0.999 547 D CA 1.383 55.390 54.000 0.012 0.000 0.856 547 D CB -0.616 40.211 40.800 0.045 0.000 0.934 547 D HN 0.317 nan 8.370 nan 0.000 0.453 548 N N 0.321 118.930 118.700 -0.151 0.000 2.142 548 N HA -0.087 4.700 4.740 0.079 0.000 0.186 548 N C 2.081 177.345 175.510 -0.410 0.000 1.023 548 N CA 1.216 54.038 53.050 -0.381 0.000 0.852 548 N CB -0.067 37.850 38.487 -0.950 0.000 0.998 548 N HN 0.187 nan 8.380 nan 0.000 0.424 549 V N 2.415 122.111 119.914 -0.364 0.000 2.295 549 V HA -0.196 3.972 4.120 0.079 0.000 0.246 549 V C 1.830 177.848 176.094 -0.127 0.000 1.049 549 V CA 1.624 63.784 62.300 -0.235 0.000 1.024 549 V CB -0.521 31.213 31.823 -0.147 0.000 0.648 549 V HN 0.196 nan 8.190 nan 0.000 0.447 550 D N 0.059 120.406 120.400 -0.087 0.000 2.104 550 D HA -0.210 4.477 4.640 0.079 0.000 0.194 550 D C 2.305 178.588 176.300 -0.029 0.000 0.994 550 D CA 1.546 55.518 54.000 -0.047 0.000 0.830 550 D CB -0.266 40.517 40.800 -0.028 0.000 0.959 550 D HN 0.242 nan 8.370 nan 0.000 0.452 551 R N 1.418 121.904 120.500 -0.023 0.000 2.081 551 R HA -0.060 4.327 4.340 0.079 0.000 0.235 551 R C 2.032 178.371 176.300 0.066 0.000 1.131 551 R CA 1.840 57.955 56.100 0.025 0.000 0.960 551 R CB -0.879 29.448 30.300 0.045 0.000 0.856 551 R HN 0.098 nan 8.270 nan 0.000 0.436 552 A N 0.520 123.361 122.820 0.034 0.000 1.877 552 A HA -0.159 4.209 4.320 0.079 0.000 0.216 552 A C 2.080 179.700 177.584 0.060 0.000 1.186 552 A CA 1.889 53.980 52.037 0.090 0.000 0.620 552 A CB -0.594 18.350 19.000 -0.094 0.000 0.822 552 A HN 0.329 nan 8.150 nan 0.000 0.443 553 K N 0.223 120.613 120.400 -0.017 0.000 2.113 553 K HA -0.116 4.252 4.320 0.079 0.000 0.208 553 K C 1.980 178.567 176.600 -0.021 0.000 1.047 553 K CA 1.708 57.970 56.287 -0.041 0.000 0.928 553 K CB -0.350 32.115 32.500 -0.058 0.000 0.716 553 K HN 0.452 nan 8.250 nan 0.000 0.446 554 R N -0.658 119.845 120.500 0.006 0.000 2.237 554 R HA -0.033 4.354 4.340 0.079 0.000 0.219 554 R C 0.854 177.165 176.300 0.018 0.000 1.080 554 R CA 0.926 57.034 56.100 0.012 0.000 0.995 554 R CB -0.104 30.211 30.300 0.024 0.000 0.875 554 R HN 0.182 nan 8.270 nan 0.000 0.462 555 I N -0.483 120.108 120.570 0.035 0.000 3.816 555 I HA 0.253 4.471 4.170 0.079 0.000 0.334 555 I C 0.477 176.569 176.117 -0.042 0.000 1.551 555 I CA 0.082 61.388 61.300 0.010 0.000 1.153 555 I CB 0.602 38.604 38.000 0.004 0.000 1.197 555 I HN 0.252 nan 8.210 nan 0.000 0.439 556 G N 0.533 109.292 108.800 -0.069 0.000 2.141 556 G HA2 -0.190 3.817 3.960 0.079 0.000 0.242 556 G HA3 -0.190 3.817 3.960 0.079 0.000 0.242 556 G C 0.262 175.094 174.900 -0.113 0.000 0.982 556 G CA 0.116 45.136 45.100 -0.133 0.000 0.662 556 G HN 0.252 nan 8.290 nan 0.000 0.527 557 V N 0.731 120.609 119.914 -0.061 0.000 2.529 557 V HA 0.303 4.470 4.120 0.079 0.000 0.292 557 V C 1.314 177.270 176.094 -0.230 0.000 1.028 557 V CA 1.550 63.791 62.300 -0.097 0.000 1.074 557 V CB 1.617 33.404 31.823 -0.060 0.000 0.958 557 V HN 0.540 nan 8.190 nan 0.000 0.481 558 Q N 3.319 122.872 119.800 -0.411 0.000 2.245 558 Q HA 0.293 4.680 4.340 0.079 0.000 0.250 558 Q C -0.753 174.654 176.000 -0.989 0.000 0.830 558 Q CA 0.169 55.490 55.803 -0.802 0.000 0.950 558 Q CB 0.752 28.791 28.738 -1.165 0.000 1.124 558 Q HN 0.702 nan 8.270 nan 0.000 0.502 559 F N 0.740 120.631 119.950 -0.099 0.000 2.539 559 F HA 0.550 5.124 4.527 0.078 0.000 0.318 559 F C -0.474 175.251 175.800 -0.125 0.000 1.135 559 F CA -0.815 57.110 58.000 -0.124 0.000 0.915 559 F CB 1.450 40.353 39.000 -0.161 0.000 1.176 559 F HN -0.179 nan 8.300 nan 0.000 0.440 560 I N 3.447 124.041 120.570 0.040 0.000 2.533 560 I HA 0.521 4.738 4.170 0.079 0.000 0.290 560 I C -1.353 174.775 176.117 0.019 0.000 1.056 560 I CA -1.148 60.171 61.300 0.032 0.000 1.057 560 I CB 2.408 40.460 38.000 0.087 0.000 1.240 560 I HN 0.383 nan 8.210 nan 0.000 0.423 561 V N 6.006 125.929 119.914 0.015 0.000 2.487 561 V HA 0.936 5.104 4.120 0.079 0.000 0.298 561 V C -0.649 175.452 176.094 0.013 0.000 1.028 561 V CA 0.006 62.335 62.300 0.048 0.000 0.860 561 V CB 1.472 33.359 31.823 0.107 0.000 0.991 561 V HN 0.899 nan 8.190 nan 0.000 0.427 562 A N 7.137 129.980 122.820 0.039 0.000 2.604 562 A HA 0.928 5.296 4.320 0.079 0.000 0.295 562 A C -3.244 174.349 177.584 0.015 0.000 1.067 562 A CA -1.498 50.491 52.037 -0.080 0.000 0.683 562 A CB 2.154 20.962 19.000 -0.321 0.000 1.281 562 A HN 0.623 nan 8.150 nan 0.000 0.407 563 P HA 0.205 nan 4.420 nan 0.000 0.269 563 P C 0.342 177.524 177.300 -0.197 0.000 1.209 563 P CA 0.213 63.261 63.100 -0.087 0.000 0.776 563 P CB 0.734 32.377 31.700 -0.096 0.000 0.876 564 S N 1.015 116.498 115.700 -0.361 0.000 2.652 564 S HA 0.603 5.120 4.470 0.079 0.000 0.267 564 S C 1.100 175.481 174.600 -0.363 0.000 1.201 564 S CA 0.256 58.045 58.200 -0.685 0.000 0.996 564 S CB 0.278 63.137 63.200 -0.569 0.000 1.054 564 S HN 0.810 nan 8.310 nan 0.000 0.561 565 G N -0.842 107.659 108.800 -0.499 0.000 2.425 565 G HA2 -0.094 3.913 3.960 0.079 0.000 0.177 565 G HA3 -0.094 3.913 3.960 0.079 0.000 0.177 565 G C 0.061 174.241 174.900 -1.201 0.000 0.999 565 G CA 0.065 44.781 45.100 -0.639 0.000 0.723 565 G HN 1.065 nan 8.290 nan 0.000 0.491 566 S N 0.480 115.471 115.700 -1.180 0.000 2.584 566 S HA 0.652 5.169 4.470 0.079 0.000 0.273 566 S C 1.876 176.193 174.600 -0.472 0.000 1.311 566 S CA 0.814 58.437 58.200 -0.962 0.000 1.034 566 S CB 1.263 64.167 63.200 -0.494 0.000 0.939 566 S HN 1.492 nan 8.310 nan 0.000 0.513 567 A N 3.976 126.586 122.820 -0.351 0.000 1.986 567 A HA 0.061 4.428 4.320 0.079 0.000 0.220 567 A C 1.824 179.338 177.584 -0.117 0.000 1.171 567 A CA 1.803 53.730 52.037 -0.183 0.000 0.640 567 A CB -0.938 17.992 19.000 -0.116 0.000 0.811 567 A HN 1.247 nan 8.150 nan 0.000 0.451 568 A N -0.862 121.878 122.820 -0.133 0.000 2.462 568 A HA 0.321 4.688 4.320 0.079 0.000 0.261 568 A C 0.994 178.578 177.584 -0.001 0.000 1.323 568 A CA 0.506 52.530 52.037 -0.022 0.000 0.913 568 A CB -0.381 18.654 19.000 0.058 0.000 1.028 568 A HN 0.328 nan 8.150 nan 0.000 0.511 569 D N 0.773 121.147 120.400 -0.043 0.000 2.149 569 D HA -0.180 4.507 4.640 0.079 0.000 0.194 569 D C 1.673 178.029 176.300 0.094 0.000 1.001 569 D CA 1.449 55.472 54.000 0.038 0.000 0.849 569 D CB 0.179 40.965 40.800 -0.023 0.000 0.939 569 D HN 0.435 nan 8.370 nan 0.000 0.449 570 E N -0.187 120.043 120.200 0.049 0.000 2.152 570 E HA -0.050 4.347 4.350 0.079 0.000 0.192 570 E C 2.330 178.958 176.600 0.048 0.000 0.983 570 E CA 0.190 56.618 56.400 0.046 0.000 0.818 570 E CB -0.005 29.711 29.700 0.027 0.000 0.758 570 E HN 0.211 nan 8.360 nan 0.000 0.467 571 V N 0.763 120.713 119.914 0.059 0.000 2.488 571 V HA -0.149 4.018 4.120 0.079 0.000 0.246 571 V C 2.494 178.629 176.094 0.068 0.000 1.046 571 V CA 0.820 63.158 62.300 0.064 0.000 1.053 571 V CB -0.293 31.583 31.823 0.089 0.000 0.679 571 V HN 0.040 nan 8.190 nan 0.000 0.458 572 V N 0.288 120.258 119.914 0.093 0.000 2.287 572 V HA -0.286 3.882 4.120 0.079 0.000 0.248 572 V C 2.221 178.349 176.094 0.056 0.000 1.053 572 V CA 2.315 64.675 62.300 0.101 0.000 1.027 572 V CB -0.555 31.379 31.823 0.185 0.000 0.646 572 V HN 0.435 nan 8.190 nan 0.000 0.447 573 I N -0.015 120.583 120.570 0.047 0.000 2.226 573 I HA -0.249 3.969 4.170 0.079 0.000 0.245 573 I C 2.632 178.744 176.117 -0.008 0.000 1.100 573 I CA 1.859 63.154 61.300 -0.007 0.000 1.374 573 I CB -0.329 37.668 38.000 -0.006 0.000 1.057 573 I HN 0.348 nan 8.210 nan 0.000 0.413 574 E N 1.332 121.537 120.200 0.008 0.000 2.072 574 E HA -0.171 4.226 4.350 0.079 0.000 0.191 574 E C 2.133 178.730 176.600 -0.005 0.000 0.985 574 E CA 1.492 57.893 56.400 0.001 0.000 0.801 574 E CB -0.201 29.505 29.700 0.009 0.000 0.750 574 E HN 0.384 nan 8.360 nan 0.000 0.452 575 A N 0.233 123.054 122.820 0.001 0.000 1.884 575 A HA -0.314 4.054 4.320 0.079 0.000 0.219 575 A C 2.616 180.182 177.584 -0.029 0.000 1.197 575 A CA 1.954 53.985 52.037 -0.010 0.000 0.637 575 A CB -1.335 17.663 19.000 -0.003 0.000 0.827 575 A HN 0.530 nan 8.150 nan 0.000 0.450 576 C N -0.688 118.592 119.300 -0.034 0.000 2.413 576 C HA -0.111 4.396 4.460 0.079 0.000 0.276 576 C C 2.699 177.656 174.990 -0.055 0.000 1.236 576 C CA 1.102 60.088 59.018 -0.053 0.000 1.735 576 C CB -1.635 26.070 27.740 -0.057 0.000 2.031 576 C HN 0.668 nan 8.230 nan 0.000 0.474 577 N N 1.267 119.942 118.700 -0.042 0.000 2.061 577 N HA -0.168 4.619 4.740 0.079 0.000 0.193 577 N C 1.619 177.107 175.510 -0.036 0.000 1.030 577 N CA 1.998 55.026 53.050 -0.037 0.000 0.856 577 N CB -0.686 37.786 38.487 -0.025 0.000 1.023 577 N HN 0.778 nan 8.380 nan 0.000 0.424 578 E N 0.046 120.227 120.200 -0.032 0.000 2.427 578 E HA -0.008 4.389 4.350 0.079 0.000 0.196 578 E C 1.219 177.795 176.600 -0.039 0.000 1.028 578 E CA 0.526 56.908 56.400 -0.030 0.000 0.864 578 E CB -0.128 29.559 29.700 -0.022 0.000 0.813 578 E HN 0.323 nan 8.360 nan 0.000 0.514 579 L N 0.284 121.477 121.223 -0.050 0.000 2.728 579 L HA 0.352 4.739 4.340 0.079 0.000 0.238 579 L C 1.096 177.915 176.870 -0.085 0.000 1.143 579 L CA 0.169 54.971 54.840 -0.063 0.000 0.937 579 L CB 0.354 42.374 42.059 -0.065 0.000 1.225 579 L HN 0.411 nan 8.230 nan 0.000 0.507 580 G N 1.289 110.040 108.800 -0.083 0.000 2.153 580 G HA2 -0.289 3.718 3.960 0.079 0.000 0.252 580 G HA3 -0.289 3.718 3.960 0.079 0.000 0.252 580 G C 0.184 174.994 174.900 -0.151 0.000 0.994 580 G CA 0.034 45.072 45.100 -0.103 0.000 0.698 580 G HN 0.330 nan 8.290 nan 0.000 0.521 581 I N 1.318 121.802 120.570 -0.143 0.000 2.396 581 I HA 0.308 4.525 4.170 0.079 0.000 0.292 581 I C 0.630 176.670 176.117 -0.128 0.000 0.999 581 I CA -0.517 60.674 61.300 -0.182 0.000 1.310 581 I CB 1.500 39.408 38.000 -0.154 0.000 1.404 581 I HN -0.012 nan 8.210 nan 0.000 0.496 582 T N 7.280 121.757 114.554 -0.128 0.000 2.749 582 T HA 0.353 4.750 4.350 0.079 0.000 0.295 582 T C -0.249 174.440 174.700 -0.019 0.000 0.936 582 T CA -0.222 61.865 62.100 -0.021 0.000 1.060 582 T CB 0.471 69.412 68.868 0.122 0.000 0.904 582 T HN 0.296 nan 8.240 nan 0.000 0.500 583 L N 4.920 126.116 121.223 -0.044 0.000 2.333 583 L HA 0.609 4.996 4.340 0.079 0.000 0.280 583 L C -1.090 175.732 176.870 -0.080 0.000 1.004 583 L CA -1.005 53.790 54.840 -0.074 0.000 0.820 583 L CB 1.268 43.240 42.059 -0.146 0.000 1.247 583 L HN 0.614 nan 8.230 nan 0.000 0.416 584 I N 3.753 124.302 120.570 -0.036 0.000 2.354 584 I HA 0.290 4.507 4.170 0.079 0.000 0.292 584 I C -0.370 175.789 176.117 0.070 0.000 0.989 584 I CA -0.268 61.051 61.300 0.031 0.000 1.188 584 I CB 1.374 39.447 38.000 0.121 0.000 1.342 584 I HN 0.496 nan 8.210 nan 0.000 0.457 585 H N 3.931 123.029 119.070 0.046 0.000 2.519 585 H HA 0.381 4.985 4.556 0.079 0.000 0.316 585 H C 0.098 175.437 175.328 0.018 0.000 1.065 585 H CA -0.641 55.422 56.048 0.024 0.000 1.264 585 H CB 1.309 31.078 29.762 0.011 0.000 1.413 585 H HN 0.650 nan 8.280 nan 0.000 0.465 586 T N -0.009 114.622 114.554 0.128 0.000 2.923 586 T HA 0.122 4.519 4.350 0.079 0.000 0.281 586 T C 0.662 175.354 174.700 -0.014 0.000 0.995 586 T CA -1.006 61.120 62.100 0.043 0.000 0.985 586 T CB 1.339 70.219 68.868 0.021 0.000 1.114 586 T HN 0.626 nan 8.240 nan 0.000 0.548 587 N N 0.177 118.857 118.700 -0.034 0.000 2.458 587 N HA 0.210 4.997 4.740 0.079 0.000 0.274 587 N C -1.098 174.368 175.510 -0.073 0.000 1.242 587 N CA -0.246 52.770 53.050 -0.056 0.000 0.904 587 N CB 0.112 38.569 38.487 -0.048 0.000 1.206 587 N HN 0.443 nan 8.380 nan 0.000 0.510 588 L N 1.528 122.702 121.223 -0.081 0.000 2.353 588 L HA 0.413 4.800 4.340 0.079 0.000 0.270 588 L C -0.245 176.541 176.870 -0.140 0.000 1.003 588 L CA -0.526 54.253 54.840 -0.101 0.000 0.862 588 L CB 0.959 42.964 42.059 -0.090 0.000 1.221 588 L HN -0.035 nan 8.230 nan 0.000 0.430 589 R N 4.055 124.441 120.500 -0.190 0.000 2.459 589 R HA 0.527 4.915 4.340 0.079 0.000 0.281 589 R C -0.539 175.601 176.300 -0.266 0.000 1.050 589 R CA -0.403 55.513 56.100 -0.306 0.000 1.055 589 R CB 0.722 30.746 30.300 -0.461 0.000 1.045 589 R HN 0.807 nan 8.270 nan 0.000 0.495 590 L N 4.965 126.031 121.223 -0.262 0.000 3.255 590 L HA 0.310 4.697 4.340 0.079 0.000 0.293 590 L C -0.702 176.185 176.870 0.028 0.000 1.302 590 L CA -0.613 54.150 54.840 -0.129 0.000 0.977 590 L CB 0.139 42.130 42.059 -0.113 0.000 1.390 590 L HN 0.482 nan 8.230 nan 0.000 0.588 591 F N 0.380 120.288 119.950 -0.070 0.000 2.602 591 F HA 0.132 4.705 4.527 0.076 0.000 0.367 591 F C 0.737 176.515 175.800 -0.036 0.000 1.126 591 F CA -0.031 57.929 58.000 -0.067 0.000 1.321 591 F CB -0.088 38.907 39.000 -0.010 0.000 1.094 591 F HN 0.145 nan 8.300 nan 0.000 0.594 592 H N 2.788 121.796 119.070 -0.103 0.000 2.966 592 H HA 0.446 5.063 4.556 0.100 0.000 0.347 592 H C -1.152 173.952 175.328 -0.373 0.000 1.048 592 H CA -0.399 55.560 56.048 -0.149 0.000 1.295 592 H CB 0.667 30.366 29.762 -0.106 0.000 1.744 592 H HN 0.568 nan 8.280 nan 0.000 0.513 593 H N 0.000 118.888 119.070 -0.303 0.000 2.539 593 H HA 0.000 4.592 4.556 0.060 0.000 0.296 593 H CA 0.000 55.897 56.048 -0.252 0.000 1.023 593 H CB 0.000 29.695 29.762 -0.111 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496