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 3nm1_1_F DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGXXMVI GWSVGFPEEV DELSKMGPXX VDYIGVGTLF PTLTKKNPKK DATA SEQUENCE APMGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL SXXXSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NKVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYSATETRL DATA SEQUENCE LLNNLLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSXXTNGTS VEDIPCVAVE DATA SEQUENCE AGPIXXXXXX XXXGCSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.366 176.600 -0.390 0.000 0.988 2 K CA 0.000 56.149 56.287 -0.229 0.000 0.838 2 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 3 F N 0.215 120.126 119.950 -0.066 0.000 2.561 3 F HA 0.680 5.207 4.527 0.001 0.000 0.384 3 F C 0.453 176.147 175.800 -0.177 0.000 1.131 3 F CA -0.699 57.239 58.000 -0.104 0.000 1.133 3 F CB 1.944 40.911 39.000 -0.054 0.000 1.506 3 F HN 0.523 nan 8.300 nan 0.000 0.499 4 S N -0.869 114.808 115.700 -0.037 0.000 2.541 4 S HA 0.303 4.774 4.470 0.000 0.000 0.280 4 S C 0.308 174.719 174.600 -0.315 0.000 1.112 4 S CA -0.786 57.325 58.200 -0.148 0.000 0.925 4 S CB 1.572 64.728 63.200 -0.073 0.000 1.067 4 S HN 0.577 nan 8.310 nan 0.000 0.479 5 K N 1.773 122.002 120.400 -0.285 0.000 2.144 5 K HA -0.211 4.110 4.320 0.000 0.000 0.209 5 K C 2.124 178.616 176.600 -0.180 0.000 1.047 5 K CA 2.085 58.195 56.287 -0.294 0.000 0.927 5 K CB -0.341 32.120 32.500 -0.064 0.000 0.716 5 K HN 0.817 nan 8.250 nan 0.000 0.454 6 E N 1.347 121.495 120.200 -0.086 0.000 2.418 6 E HA -0.165 4.186 4.350 0.000 0.000 0.197 6 E C 1.639 178.236 176.600 -0.005 0.000 1.026 6 E CA 1.019 57.416 56.400 -0.005 0.000 0.862 6 E CB -0.475 29.231 29.700 0.011 0.000 0.799 6 E HN 0.522 nan 8.360 nan 0.000 0.518 7 Q N -1.322 118.436 119.800 -0.070 0.000 2.376 7 Q HA 0.165 4.505 4.340 0.000 0.000 0.206 7 Q C -0.146 175.870 176.000 0.027 0.000 0.921 7 Q CA -0.505 55.300 55.803 0.003 0.000 0.911 7 Q CB 0.271 29.058 28.738 0.082 0.000 1.032 7 Q HN 0.492 nan 8.270 nan 0.000 0.510 8 F N 2.013 121.864 119.950 -0.165 0.000 2.608 8 F HA -0.027 4.500 4.527 0.001 0.000 0.380 8 F C 0.562 176.107 175.800 -0.424 0.000 1.083 8 F CA -0.511 57.225 58.000 -0.439 0.000 1.266 8 F CB 0.138 38.774 39.000 -0.606 0.000 1.076 8 F HN -0.093 nan 8.300 nan 0.000 0.574 9 D N 3.335 123.549 120.400 -0.310 0.000 2.472 9 D HA 0.161 4.801 4.640 0.000 0.000 0.234 9 D C -0.049 176.053 176.300 -0.330 0.000 1.088 9 D CA -0.365 53.509 54.000 -0.209 0.000 0.882 9 D CB 0.052 40.786 40.800 -0.110 0.000 1.037 9 D HN 0.318 nan 8.370 nan 0.000 0.520 10 Y N 1.749 121.954 120.300 -0.157 0.000 2.553 10 Y HA 0.030 4.580 4.550 0.000 0.000 0.303 10 Y C 2.309 178.155 175.900 -0.091 0.000 1.194 10 Y CA -0.127 57.848 58.100 -0.208 0.000 1.305 10 Y CB -0.137 38.220 38.460 -0.171 0.000 1.045 10 Y HN 0.281 nan 8.280 nan 0.000 0.514 11 S N 0.575 116.302 115.700 0.045 0.000 2.460 11 S HA -0.221 4.250 4.470 0.000 0.000 0.241 11 S C 0.687 175.317 174.600 0.050 0.000 1.051 11 S CA 1.326 59.554 58.200 0.046 0.000 1.223 11 S CB -0.500 62.709 63.200 0.016 0.000 1.160 11 S HN 0.278 nan 8.310 nan 0.000 0.424 12 L N 1.554 122.788 121.223 0.019 0.000 2.356 12 L HA 0.416 4.756 4.340 0.000 0.000 0.264 12 L C -1.373 175.531 176.870 0.056 0.000 1.029 12 L CA -0.591 54.268 54.840 0.032 0.000 0.897 12 L CB 0.455 42.517 42.059 0.004 0.000 1.256 12 L HN 0.274 nan 8.230 nan 0.000 0.444 13 Y N 5.120 125.376 120.300 -0.073 0.000 2.452 13 Y HA 0.447 4.997 4.550 0.001 0.000 0.348 13 Y C -1.010 174.829 175.900 -0.102 0.000 0.985 13 Y CA -1.142 56.894 58.100 -0.106 0.000 1.214 13 Y CB 1.237 39.653 38.460 -0.074 0.000 1.136 13 Y HN 0.553 nan 8.280 nan 0.000 0.523 14 L N 7.732 129.103 121.223 0.245 0.000 2.265 14 L HA 0.512 4.852 4.340 0.000 0.000 0.289 14 L C -1.187 175.670 176.870 -0.020 0.000 1.033 14 L CA -0.463 54.395 54.840 0.031 0.000 0.814 14 L CB 0.933 42.987 42.059 -0.008 0.000 1.203 14 L HN 0.357 nan 8.230 nan 0.000 0.423 15 V N 4.372 124.203 119.914 -0.138 0.000 2.481 15 V HA 0.445 4.566 4.120 0.000 0.000 0.286 15 V C 0.650 176.693 176.094 -0.084 0.000 1.042 15 V CA -0.499 61.713 62.300 -0.147 0.000 0.928 15 V CB 1.537 33.216 31.823 -0.240 0.000 0.986 15 V HN 0.816 nan 8.190 nan 0.000 0.462 16 T N 3.660 118.181 114.554 -0.056 0.000 2.913 16 T HA 0.302 4.653 4.350 0.000 0.000 0.287 16 T C -0.527 174.145 174.700 -0.046 0.000 1.008 16 T CA -0.129 61.944 62.100 -0.044 0.000 1.067 16 T CB 0.507 69.354 68.868 -0.034 0.000 0.996 16 T HN 0.868 nan 8.240 nan 0.000 0.513 17 D N 0.817 121.195 120.400 -0.037 0.000 2.452 17 D HA 0.129 4.769 4.640 0.000 0.000 0.226 17 D C 1.021 177.307 176.300 -0.022 0.000 1.366 17 D CA -0.251 53.728 54.000 -0.035 0.000 0.986 17 D CB 1.426 42.207 40.800 -0.031 0.000 1.420 17 D HN 0.528 nan 8.370 nan 0.000 0.583 18 S N 1.745 117.433 115.700 -0.020 0.000 2.368 18 S HA -0.015 4.455 4.470 0.000 0.000 0.224 18 S C 1.440 176.037 174.600 -0.005 0.000 1.029 18 S CA 0.932 59.133 58.200 0.003 0.000 0.988 18 S CB -0.104 63.114 63.200 0.028 0.000 0.838 18 S HN 0.417 nan 8.310 nan 0.000 0.462 19 G N 0.581 109.368 108.800 -0.021 0.000 2.985 19 G HA2 0.603 4.563 3.960 0.000 0.000 0.282 19 G HA3 0.603 4.563 3.960 0.000 0.000 0.282 19 G C -0.042 174.848 174.900 -0.016 0.000 0.791 19 G CA -0.304 44.782 45.100 -0.023 0.000 1.934 19 G HN 0.518 nan 8.290 nan 0.000 0.563 20 M N 1.083 120.678 119.600 -0.009 0.000 2.918 20 M HA 0.108 4.588 4.480 0.000 0.000 0.488 20 M C -0.309 175.989 176.300 -0.003 0.000 1.341 20 M CA -0.082 55.214 55.300 -0.007 0.000 1.045 20 M CB 0.110 32.705 32.600 -0.007 0.000 2.334 20 M HN 0.222 nan 8.290 nan 0.000 0.848 21 I N 4.227 124.797 120.570 0.001 0.000 2.618 21 I HA 0.131 4.301 4.170 0.000 0.000 0.284 21 I C -1.925 174.194 176.117 0.004 0.000 1.146 21 I CA -1.349 59.955 61.300 0.005 0.000 1.425 21 I CB -0.007 38.001 38.000 0.014 0.000 1.383 21 I HN 0.058 nan 8.210 nan 0.000 0.562 22 P HA 0.157 nan 4.420 nan 0.000 0.271 22 P C -0.155 177.148 177.300 0.005 0.000 1.220 22 P CA -0.151 62.950 63.100 0.002 0.000 0.768 22 P CB 0.340 32.041 31.700 0.001 0.000 0.848 23 E N 1.798 121.999 120.200 0.003 0.000 2.820 23 E HA 0.283 4.634 4.350 0.000 0.000 0.251 23 E C 1.400 178.004 176.600 0.007 0.000 0.944 23 E CA 0.591 56.993 56.400 0.004 0.000 0.955 23 E CB -1.161 28.539 29.700 0.001 0.000 0.904 23 E HN 0.898 nan 8.360 nan 0.000 0.513 24 G N 2.454 111.260 108.800 0.010 0.000 2.313 24 G HA2 -0.203 3.757 3.960 0.000 0.000 0.215 24 G HA3 -0.203 3.757 3.960 0.000 0.000 0.215 24 G C 0.734 175.644 174.900 0.017 0.000 1.023 24 G CA 0.295 45.402 45.100 0.012 0.000 0.626 24 G HN 0.721 nan 8.290 nan 0.000 0.503 25 K N 0.904 121.315 120.400 0.019 0.000 2.177 25 K HA 0.682 5.002 4.320 0.000 0.000 0.238 25 K C 0.381 177.002 176.600 0.035 0.000 1.015 25 K CA 0.200 56.503 56.287 0.027 0.000 0.922 25 K CB 1.304 33.817 32.500 0.022 0.000 1.127 25 K HN 0.405 nan 8.250 nan 0.000 0.469 26 T N -2.237 112.347 114.554 0.049 0.000 2.887 26 T HA 0.219 4.570 4.350 0.000 0.000 0.292 26 T C 0.661 175.403 174.700 0.070 0.000 1.087 26 T CA -0.907 61.231 62.100 0.063 0.000 1.009 26 T CB 0.912 69.827 68.868 0.079 0.000 1.203 26 T HN 0.333 nan 8.240 nan 0.000 0.518 27 L N 0.511 121.780 121.223 0.077 0.000 1.943 27 L HA 0.027 4.367 4.340 0.000 0.000 0.215 27 L C 2.274 179.189 176.870 0.074 0.000 1.074 27 L CA 1.940 56.816 54.840 0.061 0.000 0.759 27 L CB -1.614 40.480 42.059 0.058 0.000 0.888 27 L HN 0.867 nan 8.230 nan 0.000 0.433 28 Y N 0.380 120.672 120.300 -0.014 0.000 2.029 28 Y HA -0.381 4.169 4.550 0.000 0.000 0.269 28 Y C 2.322 178.213 175.900 -0.016 0.000 1.201 28 Y CA 2.602 60.691 58.100 -0.018 0.000 1.115 28 Y CB -1.010 37.441 38.460 -0.014 0.000 0.945 28 Y HN 0.347 nan 8.280 nan 0.000 0.497 29 G N -0.529 108.405 108.800 0.224 0.000 2.556 29 G HA2 -0.332 3.628 3.960 0.000 0.000 0.220 29 G HA3 -0.332 3.628 3.960 0.000 0.000 0.220 29 G C 1.419 176.332 174.900 0.022 0.000 1.156 29 G CA 1.369 46.544 45.100 0.126 0.000 0.766 29 G HN 0.419 nan 8.290 nan 0.000 0.583 30 Q N 0.073 119.873 119.800 0.000 0.000 1.969 30 Q HA -0.013 4.327 4.340 0.000 0.000 0.198 30 Q C 3.069 179.017 176.000 -0.086 0.000 0.978 30 Q CA 1.250 57.033 55.803 -0.033 0.000 0.830 30 Q CB -1.258 27.467 28.738 -0.022 0.000 0.896 30 Q HN 0.358 nan 8.270 nan 0.000 0.431 31 V N 1.998 121.843 119.914 -0.114 0.000 2.428 31 V HA -0.297 3.823 4.120 0.000 0.000 0.255 31 V C 2.318 178.261 176.094 -0.253 0.000 1.080 31 V CA 2.225 64.422 62.300 -0.172 0.000 1.083 31 V CB -0.703 31.007 31.823 -0.189 0.000 0.665 31 V HN 0.418 nan 8.190 nan 0.000 0.461 32 E N 0.296 120.317 120.200 -0.298 0.000 2.001 32 E HA -0.239 4.111 4.350 0.000 0.000 0.195 32 E C 2.364 178.854 176.600 -0.183 0.000 1.002 32 E CA 1.342 57.564 56.400 -0.298 0.000 0.819 32 E CB -0.335 29.221 29.700 -0.240 0.000 0.769 32 E HN 0.513 nan 8.360 nan 0.000 0.454 33 A N 0.653 123.414 122.820 -0.099 0.000 1.971 33 A HA -0.230 4.090 4.320 0.000 0.000 0.222 33 A C 2.314 179.853 177.584 -0.075 0.000 1.182 33 A CA 2.258 54.260 52.037 -0.058 0.000 0.649 33 A CB -1.276 17.705 19.000 -0.030 0.000 0.818 33 A HN 0.502 nan 8.150 nan 0.000 0.458 34 G N -0.898 107.841 108.800 -0.102 0.000 2.396 34 G HA2 -0.020 3.940 3.960 0.000 0.000 0.214 34 G HA3 -0.020 3.940 3.960 0.000 0.000 0.214 34 G C 1.514 176.338 174.900 -0.127 0.000 1.166 34 G CA 0.753 45.796 45.100 -0.095 0.000 0.793 34 G HN 0.432 nan 8.290 nan 0.000 0.533 35 L N 0.013 121.105 121.223 -0.217 0.000 2.141 35 L HA -0.089 4.251 4.340 0.000 0.000 0.209 35 L C 3.067 179.805 176.870 -0.219 0.000 1.094 35 L CA 0.894 55.547 54.840 -0.312 0.000 0.763 35 L CB -0.284 41.394 42.059 -0.635 0.000 0.908 35 L HN 0.301 nan 8.230 nan 0.000 0.437 36 Q N -0.477 119.236 119.800 -0.146 0.000 2.291 36 Q HA -0.112 4.228 4.340 0.000 0.000 0.205 36 Q C 1.217 177.225 176.000 0.013 0.000 0.970 36 Q CA 0.931 56.739 55.803 0.008 0.000 0.876 36 Q CB 0.090 28.845 28.738 0.028 0.000 0.935 36 Q HN 0.545 nan 8.270 nan 0.000 0.455 37 N N -2.082 116.606 118.700 -0.020 0.000 2.171 37 N HA 0.114 4.854 4.740 0.000 0.000 0.212 37 N C 0.630 176.133 175.510 -0.010 0.000 1.184 37 N CA 0.806 53.850 53.050 -0.009 0.000 0.888 37 N CB 1.986 40.465 38.487 -0.012 0.000 1.038 37 N HN 0.299 nan 8.380 nan 0.000 0.517 38 G N 0.142 108.931 108.800 -0.019 0.000 3.302 38 G HA2 -0.161 3.800 3.960 0.000 0.000 0.216 38 G HA3 -0.161 3.800 3.960 0.000 0.000 0.216 38 G C 0.008 174.890 174.900 -0.030 0.000 1.008 38 G CA -0.418 44.673 45.100 -0.015 0.000 0.852 38 G HN 0.054 nan 8.290 nan 0.000 0.485 39 V N 2.758 122.644 119.914 -0.047 0.000 2.681 39 V HA 0.279 4.399 4.120 0.000 0.000 0.306 39 V C 1.600 177.645 176.094 -0.082 0.000 1.077 39 V CA 1.925 64.189 62.300 -0.061 0.000 1.224 39 V CB 1.039 32.814 31.823 -0.079 0.000 0.879 39 V HN 0.686 nan 8.190 nan 0.000 0.494 40 T N 2.002 116.492 114.554 -0.107 0.000 3.043 40 T HA 0.522 4.872 4.350 0.000 0.000 0.272 40 T C -0.347 174.180 174.700 -0.288 0.000 0.990 40 T CA -0.201 61.805 62.100 -0.157 0.000 0.897 40 T CB 0.257 69.042 68.868 -0.137 0.000 1.111 40 T HN 0.303 nan 8.240 nan 0.000 0.529 41 L N 0.717 121.762 121.223 -0.296 0.000 2.612 41 L HA 0.750 5.091 4.340 0.000 0.000 0.256 41 L C -1.976 174.760 176.870 -0.225 0.000 0.949 41 L CA -0.811 53.747 54.840 -0.471 0.000 0.867 41 L CB 2.278 43.783 42.059 -0.923 0.000 1.417 41 L HN -0.013 nan 8.230 nan 0.000 0.414 42 V N 3.161 122.959 119.914 -0.192 0.000 2.841 42 V HA 0.646 4.766 4.120 0.000 0.000 0.310 42 V C -0.946 175.192 176.094 0.073 0.000 1.090 42 V CA -0.492 61.802 62.300 -0.009 0.000 0.930 42 V CB 2.095 33.878 31.823 -0.066 0.000 1.014 42 V HN 0.839 nan 8.190 nan 0.000 0.425 43 Q N 3.123 123.006 119.800 0.139 0.000 2.394 43 Q HA 0.663 5.003 4.340 0.000 0.000 0.273 43 Q C -1.728 174.309 176.000 0.062 0.000 1.089 43 Q CA -0.719 55.160 55.803 0.125 0.000 0.812 43 Q CB 2.387 31.199 28.738 0.125 0.000 1.353 43 Q HN 0.726 nan 8.270 nan 0.000 0.438 44 I N 2.827 123.455 120.570 0.096 0.000 2.377 44 I HA 0.452 4.623 4.170 0.000 0.000 0.293 44 I C -0.232 175.925 176.117 0.066 0.000 0.987 44 I CA -0.615 60.728 61.300 0.072 0.000 1.185 44 I CB 1.633 39.718 38.000 0.142 0.000 1.341 44 I HN 0.494 nan 8.210 nan 0.000 0.455 45 R N 4.808 125.292 120.500 -0.028 0.000 2.352 45 R HA 0.279 4.619 4.340 0.000 0.000 0.304 45 R C -1.015 175.203 176.300 -0.137 0.000 1.104 45 R CA -0.371 55.709 56.100 -0.034 0.000 0.991 45 R CB 0.749 31.035 30.300 -0.023 0.000 1.140 45 R HN 0.479 nan 8.270 nan 0.000 0.540 46 E N 3.595 123.651 120.200 -0.240 0.000 2.346 46 E HA 0.151 4.501 4.350 0.000 0.000 0.239 46 E C -0.255 176.299 176.600 -0.077 0.000 0.943 46 E CA -0.434 55.774 56.400 -0.321 0.000 0.751 46 E CB 1.495 30.671 29.700 -0.873 0.000 1.241 46 E HN 0.414 nan 8.360 nan 0.000 0.423 47 K N 0.886 121.269 120.400 -0.028 0.000 2.400 47 K HA 0.076 4.396 4.320 0.000 0.000 0.194 47 K C 0.282 176.893 176.600 0.018 0.000 1.033 47 K CA 0.469 56.771 56.287 0.025 0.000 1.021 47 K CB 0.896 33.406 32.500 0.017 0.000 0.808 47 K HN 0.346 nan 8.250 nan 0.000 0.505 48 D N 0.290 120.679 120.400 -0.017 0.000 2.766 48 D HA 0.075 4.715 4.640 0.000 0.000 0.284 48 D C 0.687 176.969 176.300 -0.030 0.000 1.050 48 D CA 0.092 54.077 54.000 -0.025 0.000 0.945 48 D CB 0.222 40.991 40.800 -0.052 0.000 1.272 48 D HN -0.026 nan 8.370 nan 0.000 0.482 49 A N 1.458 124.238 122.820 -0.067 0.000 2.366 49 A HA 0.109 4.429 4.320 0.000 0.000 0.250 49 A C 0.196 177.822 177.584 0.070 0.000 1.099 49 A CA 0.057 52.040 52.037 -0.089 0.000 0.794 49 A CB 0.275 19.142 19.000 -0.221 0.000 1.056 49 A HN -0.071 nan 8.150 nan 0.000 0.499 50 D N 0.100 120.551 120.400 0.086 0.000 2.341 50 D HA 0.200 4.840 4.640 0.000 0.000 0.245 50 D C 1.238 177.697 176.300 0.265 0.000 1.106 50 D CA 0.335 54.426 54.000 0.152 0.000 0.905 50 D CB 1.108 41.976 40.800 0.113 0.000 1.202 50 D HN 0.519 nan 8.370 nan 0.000 0.426 51 T N 1.588 116.271 114.554 0.214 0.000 2.848 51 T HA -0.213 4.137 4.350 0.000 0.000 0.269 51 T C 1.639 176.449 174.700 0.183 0.000 1.081 51 T CA 1.285 63.502 62.100 0.194 0.000 1.125 51 T CB 0.225 69.145 68.868 0.087 0.000 0.848 51 T HN 0.372 nan 8.240 nan 0.000 0.503 52 K N -0.098 120.414 120.400 0.188 0.000 2.063 52 K HA 0.089 4.409 4.320 0.000 0.000 0.204 52 K C 1.987 178.713 176.600 0.210 0.000 1.039 52 K CA 0.398 56.779 56.287 0.157 0.000 0.957 52 K CB -0.284 32.290 32.500 0.122 0.000 0.764 52 K HN 0.272 nan 8.250 nan 0.000 0.447 53 F N 1.379 121.391 119.950 0.105 0.000 2.111 53 F HA -0.325 4.202 4.527 0.000 0.000 0.300 53 F C 1.877 177.768 175.800 0.151 0.000 1.088 53 F CA 1.517 59.573 58.000 0.095 0.000 1.243 53 F CB -0.292 38.744 39.000 0.060 0.000 0.996 53 F HN 0.097 nan 8.300 nan 0.000 0.483 54 F N 1.282 121.369 119.950 0.229 0.000 2.010 54 F HA -0.252 4.275 4.527 0.001 0.000 0.296 54 F C 2.251 178.056 175.800 0.008 0.000 1.146 54 F CA 1.978 60.058 58.000 0.132 0.000 1.181 54 F CB -1.171 37.911 39.000 0.137 0.000 0.965 54 F HN -0.027 nan 8.300 nan 0.000 0.480 55 I N 0.133 120.873 120.570 0.284 0.000 2.185 55 I HA -0.351 3.819 4.170 0.000 0.000 0.246 55 I C 2.337 178.490 176.117 0.061 0.000 1.088 55 I CA 1.847 63.211 61.300 0.107 0.000 1.347 55 I CB -0.682 37.335 38.000 0.029 0.000 1.041 55 I HN 0.313 nan 8.210 nan 0.000 0.415 56 E N 0.346 120.552 120.200 0.011 0.000 2.077 56 E HA -0.279 4.072 4.350 0.000 0.000 0.193 56 E C 2.091 178.625 176.600 -0.109 0.000 0.989 56 E CA 1.348 57.707 56.400 -0.067 0.000 0.800 56 E CB -0.083 29.548 29.700 -0.115 0.000 0.746 56 E HN 0.508 nan 8.360 nan 0.000 0.452 57 E N 0.057 120.154 120.200 -0.171 0.000 2.230 57 E HA -0.050 4.301 4.350 0.000 0.000 0.192 57 E C 1.898 178.493 176.600 -0.009 0.000 0.987 57 E CA 0.574 56.878 56.400 -0.160 0.000 0.841 57 E CB 0.096 29.615 29.700 -0.302 0.000 0.783 57 E HN 0.190 nan 8.360 nan 0.000 0.481 58 A N 0.951 123.819 122.820 0.080 0.000 1.968 58 A HA -0.069 4.251 4.320 0.000 0.000 0.217 58 A C 2.090 179.708 177.584 0.055 0.000 1.169 58 A CA 0.621 52.729 52.037 0.117 0.000 0.638 58 A CB -0.409 18.724 19.000 0.222 0.000 0.812 58 A HN 0.274 nan 8.150 nan 0.000 0.446 59 L N -0.921 120.325 121.223 0.038 0.000 2.141 59 L HA -0.204 4.137 4.340 0.000 0.000 0.209 59 L C 2.842 179.726 176.870 0.024 0.000 1.094 59 L CA 1.713 56.566 54.840 0.022 0.000 0.763 59 L CB -0.455 41.614 42.059 0.017 0.000 0.908 59 L HN 0.610 nan 8.230 nan 0.000 0.437 60 Q N 0.381 120.197 119.800 0.028 0.000 2.119 60 Q HA -0.175 4.165 4.340 0.000 0.000 0.201 60 Q C 2.253 178.336 176.000 0.140 0.000 0.972 60 Q CA 1.416 57.258 55.803 0.064 0.000 0.847 60 Q CB 0.168 28.923 28.738 0.029 0.000 0.903 60 Q HN 0.502 nan 8.270 nan 0.000 0.433 61 I N 0.153 120.773 120.570 0.084 0.000 2.339 61 I HA -0.190 3.980 4.170 0.000 0.000 0.245 61 I C 2.473 178.569 176.117 -0.035 0.000 1.096 61 I CA 0.666 61.988 61.300 0.035 0.000 1.408 61 I CB -0.289 37.716 38.000 0.008 0.000 1.092 61 I HN 0.251 nan 8.210 nan 0.000 0.423 62 K N 1.341 121.705 120.400 -0.061 0.000 2.052 62 K HA -0.332 3.988 4.320 0.000 0.000 0.215 62 K C 1.972 178.435 176.600 -0.228 0.000 1.053 62 K CA 2.414 58.582 56.287 -0.199 0.000 0.934 62 K CB -0.211 32.192 32.500 -0.162 0.000 0.717 62 K HN 0.296 nan 8.250 nan 0.000 0.450 63 E N 0.558 120.723 120.200 -0.058 0.000 2.033 63 E HA -0.230 4.120 4.350 0.000 0.000 0.199 63 E C 2.123 178.765 176.600 0.071 0.000 1.011 63 E CA 1.337 57.756 56.400 0.031 0.000 0.815 63 E CB -0.222 29.527 29.700 0.081 0.000 0.755 63 E HN 0.368 nan 8.360 nan 0.000 0.451 64 L N 0.706 121.977 121.223 0.079 0.000 2.189 64 L HA -0.214 4.126 4.340 0.000 0.000 0.214 64 L C 2.132 179.031 176.870 0.049 0.000 1.097 64 L CA 1.415 56.279 54.840 0.039 0.000 0.764 64 L CB -0.510 41.408 42.059 -0.234 0.000 0.900 64 L HN 0.514 nan 8.230 nan 0.000 0.436 65 C N -0.968 118.329 119.300 -0.004 0.000 2.631 65 C HA -0.081 4.379 4.460 0.000 0.000 0.283 65 C C 2.550 177.675 174.990 0.226 0.000 1.295 65 C CA 0.132 59.172 59.018 0.038 0.000 1.697 65 C CB -1.014 26.697 27.740 -0.049 0.000 2.128 65 C HN 0.578 nan 8.230 nan 0.000 0.503 66 H N 1.395 120.561 119.070 0.160 0.000 2.431 66 H HA -0.125 4.431 4.556 0.000 0.000 0.297 66 H C 2.318 177.723 175.328 0.128 0.000 1.115 66 H CA 1.746 57.895 56.048 0.169 0.000 1.277 66 H CB -1.008 28.821 29.762 0.112 0.000 1.372 66 H HN 0.510 nan 8.280 nan 0.000 0.516 67 A N 0.385 123.350 122.820 0.241 0.000 2.032 67 A HA -0.217 4.103 4.320 0.000 0.000 0.221 67 A C 1.344 178.948 177.584 0.034 0.000 1.165 67 A CA 1.956 54.071 52.037 0.130 0.000 0.645 67 A CB -0.465 18.617 19.000 0.137 0.000 0.807 67 A HN 0.513 nan 8.150 nan 0.000 0.453 68 H N -2.751 116.372 119.070 0.088 0.000 2.672 68 H HA 0.235 4.791 4.556 0.001 0.000 0.277 68 H C 0.625 176.018 175.328 0.109 0.000 1.074 68 H CA 0.274 56.363 56.048 0.068 0.000 1.173 68 H CB 0.196 29.975 29.762 0.028 0.000 1.558 68 H HN 0.598 nan 8.280 nan 0.000 0.539 69 N N -0.165 118.706 118.700 0.284 0.000 2.782 69 N HA -0.183 4.557 4.740 0.000 0.000 0.251 69 N C -0.874 174.895 175.510 0.432 0.000 1.101 69 N CA 0.737 53.998 53.050 0.352 0.000 0.764 69 N CB -1.030 37.584 38.487 0.210 0.000 1.122 69 N HN 0.238 nan 8.380 nan 0.000 0.561 70 V N -0.439 119.653 119.914 0.297 0.000 2.513 70 V HA 0.830 4.950 4.120 0.000 0.000 0.299 70 V C -2.262 173.820 176.094 -0.020 0.000 1.035 70 V CA -1.751 60.549 62.300 -0.000 0.000 0.889 70 V CB 1.720 33.503 31.823 -0.067 0.000 0.988 70 V HN 0.035 nan 8.190 nan 0.000 0.440 71 P HA 0.382 nan 4.420 nan 0.000 0.277 71 P C -1.400 175.816 177.300 -0.141 0.000 1.271 71 P CA -0.499 62.440 63.100 -0.268 0.000 0.795 71 P CB 0.609 31.903 31.700 -0.676 0.000 1.101 72 L N 1.057 122.280 121.223 -0.000 0.000 2.372 72 L HA 0.464 4.804 4.340 0.000 0.000 0.273 72 L C -1.111 175.767 176.870 0.012 0.000 0.989 72 L CA -0.436 54.387 54.840 -0.029 0.000 0.841 72 L CB 0.456 42.505 42.059 -0.018 0.000 1.225 72 L HN 0.158 nan 8.230 nan 0.000 0.414 73 I N 5.523 126.088 120.570 -0.008 0.000 2.428 73 I HA 0.416 4.586 4.170 0.000 0.000 0.296 73 I C -0.124 176.089 176.117 0.160 0.000 0.985 73 I CA -0.001 61.358 61.300 0.099 0.000 1.260 73 I CB 1.405 39.493 38.000 0.147 0.000 1.389 73 I HN 0.449 nan 8.210 nan 0.000 0.484 74 I N 5.180 125.865 120.570 0.192 0.000 2.493 74 I HA 0.273 4.443 4.170 0.000 0.000 0.298 74 I C 0.033 176.300 176.117 0.249 0.000 0.998 74 I CA -0.542 60.890 61.300 0.220 0.000 1.137 74 I CB 1.518 39.621 38.000 0.173 0.000 1.310 74 I HN 0.604 nan 8.210 nan 0.000 0.445 75 N N 3.764 122.637 118.700 0.288 0.000 2.472 75 N HA 0.055 4.796 4.740 0.000 0.000 0.277 75 N C 0.125 175.778 175.510 0.240 0.000 1.081 75 N CA -0.179 53.036 53.050 0.274 0.000 0.973 75 N CB 0.753 39.380 38.487 0.234 0.000 1.105 75 N HN 0.767 nan 8.380 nan 0.000 0.470 76 D N 0.831 121.344 120.400 0.189 0.000 3.482 76 D HA -0.311 4.329 4.640 0.000 0.000 0.177 76 D C -0.195 176.164 176.300 0.099 0.000 1.521 76 D CA 1.389 55.468 54.000 0.131 0.000 0.910 76 D CB -0.479 40.390 40.800 0.115 0.000 0.837 76 D HN 0.556 nan 8.370 nan 0.000 0.579 77 R N 0.620 121.176 120.500 0.093 0.000 3.235 77 R HA 0.292 4.632 4.340 0.000 0.000 0.232 77 R C 1.278 177.557 176.300 -0.035 0.000 1.475 77 R CA -0.208 55.891 56.100 -0.003 0.000 1.405 77 R CB 0.237 30.462 30.300 -0.125 0.000 1.266 77 R HN 0.430 nan 8.270 nan 0.000 0.650 78 I N 1.796 122.370 120.570 0.006 0.000 2.361 78 I HA -0.281 3.889 4.170 0.000 0.000 0.251 78 I C 0.987 177.094 176.117 -0.016 0.000 1.133 78 I CA 1.987 63.295 61.300 0.013 0.000 1.413 78 I CB 0.009 38.027 38.000 0.030 0.000 1.073 78 I HN 0.439 nan 8.210 nan 0.000 0.424 79 D N 1.058 121.437 120.400 -0.034 0.000 2.123 79 D HA -0.209 4.432 4.640 0.000 0.000 0.196 79 D C 2.033 178.284 176.300 -0.081 0.000 0.992 79 D CA 1.536 55.509 54.000 -0.046 0.000 0.833 79 D CB -1.112 39.663 40.800 -0.041 0.000 0.954 79 D HN 0.308 nan 8.370 nan 0.000 0.455 80 V N 0.645 120.462 119.914 -0.161 0.000 2.594 80 V HA -0.158 3.962 4.120 0.000 0.000 0.253 80 V C 2.610 178.625 176.094 -0.131 0.000 1.069 80 V CA 1.609 63.768 62.300 -0.235 0.000 1.082 80 V CB -0.907 30.568 31.823 -0.580 0.000 0.680 80 V HN 0.430 nan 8.190 nan 0.000 0.469 81 A N 0.084 122.858 122.820 -0.076 0.000 1.854 81 A HA -0.149 4.171 4.320 0.000 0.000 0.214 81 A C 2.253 179.850 177.584 0.020 0.000 1.192 81 A CA 1.856 53.892 52.037 -0.001 0.000 0.611 81 A CB -0.407 18.616 19.000 0.038 0.000 0.832 81 A HN 0.446 nan 8.150 nan 0.000 0.442 82 M N -0.087 119.520 119.600 0.013 0.000 2.082 82 M HA -0.217 4.263 4.480 0.000 0.000 0.258 82 M C 2.553 178.861 176.300 0.013 0.000 1.071 82 M CA 1.818 57.130 55.300 0.019 0.000 1.103 82 M CB -0.967 31.640 32.600 0.011 0.000 1.307 82 M HN 0.438 nan 8.290 nan 0.000 0.409 83 A N 1.232 124.048 122.820 -0.006 0.000 1.927 83 A HA -0.187 4.134 4.320 0.000 0.000 0.220 83 A C 1.980 179.567 177.584 0.005 0.000 1.185 83 A CA 2.325 54.357 52.037 -0.008 0.000 0.639 83 A CB -1.079 17.903 19.000 -0.031 0.000 0.820 83 A HN 0.759 nan 8.150 nan 0.000 0.451 84 I N -5.253 115.323 120.570 0.010 0.000 4.018 84 I HA 0.547 4.717 4.170 0.000 0.000 0.337 84 I C 1.031 177.180 176.117 0.053 0.000 1.327 84 I CA 0.437 61.753 61.300 0.026 0.000 1.100 84 I CB 0.054 38.068 38.000 0.023 0.000 1.025 84 I HN 0.402 nan 8.210 nan 0.000 0.396 85 G N 1.964 110.801 108.800 0.062 0.000 2.248 85 G HA2 -0.133 3.827 3.960 0.000 0.000 0.263 85 G HA3 -0.133 3.827 3.960 0.000 0.000 0.263 85 G C 0.333 175.314 174.900 0.135 0.000 1.082 85 G CA 0.024 45.180 45.100 0.092 0.000 0.863 85 G HN 0.919 nan 8.290 nan 0.000 0.495 86 A N -0.690 122.200 122.820 0.118 0.000 2.327 86 A HA 0.602 4.922 4.320 0.000 0.000 0.255 86 A C 1.153 178.857 177.584 0.199 0.000 1.099 86 A CA 0.687 52.812 52.037 0.145 0.000 0.801 86 A CB 0.428 19.496 19.000 0.113 0.000 1.062 86 A HN 0.213 nan 8.150 nan 0.000 0.496 87 D N -0.634 119.912 120.400 0.245 0.000 2.354 87 D HA 0.364 5.005 4.640 0.000 0.000 0.209 87 D C 0.629 177.131 176.300 0.337 0.000 1.015 87 D CA 1.586 55.787 54.000 0.335 0.000 0.867 87 D CB 0.500 41.569 40.800 0.448 0.000 0.933 87 D HN 0.856 nan 8.370 nan 0.000 0.520 88 G N 0.394 109.343 108.800 0.248 0.000 2.442 88 G HA2 0.429 4.390 3.960 0.000 0.000 0.296 88 G HA3 0.429 4.390 3.960 0.000 0.000 0.296 88 G C -1.575 173.466 174.900 0.235 0.000 1.564 88 G CA -0.882 44.380 45.100 0.269 0.000 0.828 88 G HN 0.104 nan 8.290 nan 0.000 0.571 89 I N -0.961 119.759 120.570 0.250 0.000 2.569 89 I HA 0.835 5.006 4.170 0.000 0.000 0.296 89 I C -1.290 175.004 176.117 0.296 0.000 1.028 89 I CA -1.154 60.288 61.300 0.237 0.000 1.082 89 I CB 2.517 40.612 38.000 0.159 0.000 1.264 89 I HN 0.617 nan 8.210 nan 0.000 0.429 90 H N 5.932 125.128 119.070 0.210 0.000 2.587 90 H HA 0.647 5.203 4.556 0.000 0.000 0.325 90 H C -1.156 174.263 175.328 0.152 0.000 1.012 90 H CA -0.473 55.695 56.048 0.199 0.000 1.213 90 H CB 1.526 31.443 29.762 0.258 0.000 1.431 90 H HN 0.678 nan 8.280 nan 0.000 0.492 91 V N 3.410 123.183 119.914 -0.236 0.000 2.881 91 V HA 0.924 5.045 4.120 0.000 0.000 0.316 91 V C 0.272 176.235 176.094 -0.217 0.000 1.070 91 V CA 0.049 62.299 62.300 -0.082 0.000 0.976 91 V CB 1.602 33.465 31.823 0.067 0.000 1.038 91 V HN 0.838 nan 8.190 nan 0.000 0.446 92 G N 1.279 110.015 108.800 -0.108 0.000 2.671 92 G HA2 0.411 4.371 3.960 0.000 0.000 0.275 92 G HA3 0.411 4.371 3.960 0.000 0.000 0.275 92 G C 0.040 174.793 174.900 -0.245 0.000 1.368 92 G CA -0.006 44.973 45.100 -0.202 0.000 1.044 92 G HN 0.801 nan 8.290 nan 0.000 0.543 93 Q N -1.240 118.373 119.800 -0.311 0.000 2.245 93 Q HA 0.042 4.383 4.340 0.000 0.000 0.201 93 Q C 0.987 176.928 176.000 -0.100 0.000 0.955 93 Q CA 1.398 57.007 55.803 -0.324 0.000 0.870 93 Q CB 0.102 28.644 28.738 -0.327 0.000 0.945 93 Q HN 0.519 nan 8.270 nan 0.000 0.461 94 D N 0.159 120.522 120.400 -0.061 0.000 2.424 94 D HA 0.093 4.733 4.640 0.000 0.000 0.220 94 D C -0.533 175.777 176.300 0.017 0.000 1.150 94 D CA 0.010 54.002 54.000 -0.013 0.000 0.831 94 D CB 0.418 41.208 40.800 -0.017 0.000 0.981 94 D HN 0.173 nan 8.370 nan 0.000 0.500 95 D N -0.263 120.156 120.400 0.032 0.000 2.560 95 D HA 0.163 4.803 4.640 0.000 0.000 0.277 95 D C 0.396 176.743 176.300 0.079 0.000 1.194 95 D CA -0.681 53.352 54.000 0.054 0.000 1.092 95 D CB 0.498 41.333 40.800 0.057 0.000 1.169 95 D HN -0.024 nan 8.370 nan 0.000 0.607 96 M N 1.257 120.903 119.600 0.076 0.000 2.252 96 M HA 0.118 4.599 4.480 0.000 0.000 0.348 96 M C -2.322 174.034 176.300 0.093 0.000 1.334 96 M CA -0.687 54.655 55.300 0.070 0.000 1.071 96 M CB 0.665 33.296 32.600 0.052 0.000 1.763 96 M HN -0.121 nan 8.290 nan 0.000 0.452 97 P HA -0.096 nan 4.420 nan 0.000 0.261 97 P C 0.524 177.829 177.300 0.008 0.000 1.173 97 P CA 0.044 63.182 63.100 0.063 0.000 0.760 97 P CB 0.269 31.992 31.700 0.038 0.000 0.783 98 I N 6.110 126.643 120.570 -0.062 0.000 2.226 98 I HA -0.136 4.034 4.170 0.000 0.000 0.245 98 I C -0.567 175.488 176.117 -0.104 0.000 1.100 98 I CA 1.888 63.099 61.300 -0.148 0.000 1.374 98 I CB -2.588 35.183 38.000 -0.382 0.000 1.057 98 I HN 0.384 nan 8.210 nan 0.000 0.413 99 P HA -0.198 nan 4.420 nan 0.000 0.216 99 P C 2.065 179.342 177.300 -0.039 0.000 1.153 99 P CA 1.770 64.831 63.100 -0.065 0.000 0.858 99 P CB -0.072 31.596 31.700 -0.053 0.000 0.789 100 M N -1.415 118.170 119.600 -0.025 0.000 2.254 100 M HA -0.065 4.415 4.480 0.000 0.000 0.265 100 M C 2.228 178.526 176.300 -0.005 0.000 1.066 100 M CA 1.340 56.634 55.300 -0.010 0.000 1.123 100 M CB -0.481 32.119 32.600 0.001 0.000 1.388 100 M HN -0.171 nan 8.290 nan 0.000 0.425 101 I N -0.731 119.835 120.570 -0.005 0.000 2.127 101 I HA -0.327 3.844 4.170 0.000 0.000 0.241 101 I C 2.541 178.659 176.117 0.001 0.000 1.075 101 I CA 1.209 62.511 61.300 0.004 0.000 1.334 101 I CB -0.597 37.406 38.000 0.005 0.000 1.040 101 I HN 0.235 nan 8.210 nan 0.000 0.405 102 R N 1.779 122.270 120.500 -0.015 0.000 2.083 102 R HA -0.175 4.165 4.340 0.000 0.000 0.237 102 R C 2.151 178.444 176.300 -0.010 0.000 1.137 102 R CA 1.636 57.728 56.100 -0.014 0.000 0.951 102 R CB -0.552 29.728 30.300 -0.034 0.000 0.851 102 R HN 0.179 nan 8.270 nan 0.000 0.434 103 K N 0.056 120.447 120.400 -0.015 0.000 2.520 103 K HA -0.106 4.214 4.320 0.000 0.000 0.197 103 K C 0.728 177.326 176.600 -0.003 0.000 1.044 103 K CA 1.136 57.416 56.287 -0.011 0.000 0.938 103 K CB -0.024 32.469 32.500 -0.012 0.000 0.767 103 K HN 0.287 nan 8.250 nan 0.000 0.481 104 L N -0.776 120.448 121.223 0.002 0.000 2.766 104 L HA 0.073 4.414 4.340 0.000 0.000 0.242 104 L C 1.116 177.994 176.870 0.013 0.000 1.136 104 L CA -0.297 54.547 54.840 0.007 0.000 0.933 104 L CB 0.893 42.958 42.059 0.009 0.000 1.241 104 L HN -0.055 nan 8.230 nan 0.000 0.522 105 V N -3.739 116.183 119.914 0.015 0.000 3.229 105 V HA 0.739 4.859 4.120 0.000 0.000 0.239 105 V C 0.858 176.965 176.094 0.022 0.000 1.390 105 V CA 0.182 62.496 62.300 0.025 0.000 1.231 105 V CB 0.209 32.057 31.823 0.041 0.000 1.025 105 V HN 0.296 nan 8.190 nan 0.000 0.461 110 V N 3.461 123.530 119.914 0.259 0.000 2.863 110 V HA 0.601 4.721 4.120 0.000 0.000 0.307 110 V C -0.317 175.967 176.094 0.317 0.000 1.061 110 V CA -0.382 62.130 62.300 0.353 0.000 1.024 110 V CB 1.818 34.029 31.823 0.646 0.000 1.049 110 V HN 0.704 nan 8.190 nan 0.000 0.471 111 I N 1.621 122.379 120.570 0.313 0.000 2.512 111 I HA 0.533 4.703 4.170 0.000 0.000 0.287 111 I C 0.279 176.440 176.117 0.072 0.000 1.069 111 I CA -0.269 61.146 61.300 0.192 0.000 1.056 111 I CB 1.967 40.007 38.000 0.066 0.000 1.229 111 I HN 0.747 nan 8.210 nan 0.000 0.429 112 G N 4.684 113.452 108.800 -0.054 0.000 2.389 112 G HA2 0.518 4.478 3.960 0.000 0.000 0.328 112 G HA3 0.518 4.478 3.960 0.000 0.000 0.328 112 G C -2.195 172.453 174.900 -0.420 0.000 1.133 112 G CA -0.218 44.447 45.100 -0.724 0.000 0.891 112 G HN 0.493 nan 8.290 nan 0.000 0.485 113 W N 0.967 121.913 121.300 -0.589 0.000 2.883 113 W HA 0.586 5.246 4.660 0.001 0.000 0.335 113 W C -0.274 176.111 176.519 -0.222 0.000 1.083 113 W CA -1.038 56.066 57.345 -0.401 0.000 1.233 113 W CB 2.224 31.552 29.460 -0.220 0.000 1.412 113 W HN 0.442 nan 8.180 nan 0.000 0.490 114 S N 2.871 118.341 115.700 -0.383 0.000 2.465 114 S HA 0.641 5.111 4.470 0.000 0.000 0.279 114 S C -0.658 173.708 174.600 -0.391 0.000 1.201 114 S CA -0.531 57.525 58.200 -0.240 0.000 1.053 114 S CB 0.699 63.807 63.200 -0.152 0.000 0.953 114 S HN 0.214 nan 8.310 nan 0.000 0.488 115 V N 1.851 121.646 119.914 -0.199 0.000 2.841 115 V HA 0.788 4.909 4.120 0.000 0.000 0.310 115 V C 0.758 176.770 176.094 -0.138 0.000 1.090 115 V CA -0.715 61.482 62.300 -0.171 0.000 0.930 115 V CB 2.095 33.881 31.823 -0.062 0.000 1.014 115 V HN 0.939 nan 8.190 nan 0.000 0.425 116 G N 1.771 110.488 108.800 -0.139 0.000 3.430 116 G HA2 0.384 4.344 3.960 0.000 0.000 0.222 116 G HA3 0.384 4.344 3.960 0.000 0.000 0.222 116 G C -0.469 174.019 174.900 -0.687 0.000 1.102 116 G CA 0.184 45.037 45.100 -0.411 0.000 0.927 116 G HN 0.412 nan 8.290 nan 0.000 0.597 117 F N -0.410 119.495 119.950 -0.075 0.000 2.569 117 F HA 0.430 4.957 4.527 0.000 0.000 0.312 117 F C -1.946 173.836 175.800 -0.031 0.000 1.109 117 F CA -2.206 55.764 58.000 -0.050 0.000 0.919 117 F CB 2.545 41.515 39.000 -0.049 0.000 1.211 117 F HN -0.219 nan 8.300 nan 0.000 0.446 118 P HA -0.156 nan 4.420 nan 0.000 0.217 118 P C 0.915 178.277 177.300 0.103 0.000 1.148 118 P CA 1.456 64.608 63.100 0.086 0.000 0.828 118 P CB 0.294 32.033 31.700 0.065 0.000 0.783 119 E N -0.134 120.140 120.200 0.123 0.000 2.160 119 E HA -0.193 4.158 4.350 0.000 0.000 0.195 119 E C 1.851 178.521 176.600 0.116 0.000 0.991 119 E CA 1.142 57.596 56.400 0.091 0.000 0.810 119 E CB -0.637 29.093 29.700 0.050 0.000 0.742 119 E HN 0.465 nan 8.360 nan 0.000 0.466 120 E N -0.012 120.275 120.200 0.145 0.000 2.106 120 E HA -0.123 4.228 4.350 0.000 0.000 0.192 120 E C 2.076 178.855 176.600 0.298 0.000 0.984 120 E CA 1.110 57.641 56.400 0.218 0.000 0.806 120 E CB 0.022 29.772 29.700 0.082 0.000 0.750 120 E HN 0.090 nan 8.360 nan 0.000 0.458 121 V N 2.242 122.265 119.914 0.181 0.000 2.295 121 V HA -0.274 3.847 4.120 0.000 0.000 0.246 121 V C 1.781 177.927 176.094 0.087 0.000 1.049 121 V CA 1.984 64.355 62.300 0.119 0.000 1.024 121 V CB -0.553 31.299 31.823 0.048 0.000 0.648 121 V HN 0.196 nan 8.190 nan 0.000 0.447 122 D N 0.143 120.592 120.400 0.082 0.000 2.116 122 D HA -0.207 4.434 4.640 0.000 0.000 0.193 122 D C 2.207 178.556 176.300 0.082 0.000 0.998 122 D CA 1.704 55.746 54.000 0.070 0.000 0.836 122 D CB -0.265 40.573 40.800 0.063 0.000 0.951 122 D HN 0.601 nan 8.370 nan 0.000 0.449 123 E N 0.495 120.762 120.200 0.112 0.000 2.058 123 E HA -0.164 4.186 4.350 0.000 0.000 0.194 123 E C 2.423 179.048 176.600 0.041 0.000 0.997 123 E CA 0.543 57.004 56.400 0.101 0.000 0.801 123 E CB -0.327 29.483 29.700 0.185 0.000 0.746 123 E HN 0.342 nan 8.360 nan 0.000 0.450 124 L N 0.269 121.520 121.223 0.046 0.000 2.265 124 L HA -0.117 4.223 4.340 0.000 0.000 0.215 124 L C 1.992 178.921 176.870 0.097 0.000 1.117 124 L CA 1.299 56.112 54.840 -0.045 0.000 0.782 124 L CB -0.011 42.041 42.059 -0.011 0.000 0.914 124 L HN -0.055 nan 8.230 nan 0.000 0.441 125 S N 0.357 116.124 115.700 0.112 0.000 2.371 125 S HA 0.001 4.471 4.470 0.000 0.000 0.219 125 S C 2.138 176.851 174.600 0.188 0.000 1.040 125 S CA 1.177 59.504 58.200 0.211 0.000 0.958 125 S CB -0.316 62.950 63.200 0.110 0.000 0.860 125 S HN 0.595 nan 8.310 nan 0.000 0.487 126 K N 1.159 121.619 120.400 0.099 0.000 2.675 126 K HA 0.147 4.467 4.320 0.000 0.000 0.194 126 K C 1.321 177.939 176.600 0.030 0.000 1.029 126 K CA 0.964 57.287 56.287 0.059 0.000 0.980 126 K CB -1.181 31.344 32.500 0.042 0.000 0.803 126 K HN 0.489 nan 8.250 nan 0.000 0.493 127 M N -1.520 118.104 119.600 0.041 0.000 2.379 127 M HA 0.227 4.708 4.480 0.000 0.000 0.265 127 M C 1.286 177.548 176.300 -0.063 0.000 1.095 127 M CA 0.624 55.913 55.300 -0.019 0.000 1.075 127 M CB 0.652 33.217 32.600 -0.057 0.000 1.443 127 M HN 0.557 nan 8.290 nan 0.000 0.519 128 G N 1.778 110.550 108.800 -0.047 0.000 2.698 128 G HA2 -0.196 3.765 3.960 0.000 0.000 0.233 128 G HA3 -0.196 3.765 3.960 0.000 0.000 0.233 128 G C -3.056 171.379 174.900 -0.776 0.000 1.352 128 G CA -1.026 43.830 45.100 -0.407 0.000 0.879 128 G HN 0.167 nan 8.290 nan 0.000 0.567 133 D N 2.304 122.840 120.400 0.226 0.000 2.333 133 D HA 0.141 4.781 4.640 0.000 0.000 0.208 133 D C 0.110 176.629 176.300 0.366 0.000 0.984 133 D CA 1.380 55.587 54.000 0.344 0.000 0.873 133 D CB 0.780 41.822 40.800 0.404 0.000 0.935 133 D HN 0.733 nan 8.370 nan 0.000 0.521 134 Y N -0.572 119.814 120.300 0.143 0.000 2.638 134 Y HA 0.405 4.955 4.550 0.000 0.000 0.334 134 Y C -1.957 174.026 175.900 0.139 0.000 1.182 134 Y CA -1.704 56.431 58.100 0.057 0.000 1.102 134 Y CB 0.341 38.804 38.460 0.005 0.000 1.343 134 Y HN -0.182 nan 8.280 nan 0.000 0.463 135 I N 0.690 121.288 120.570 0.046 0.000 2.689 135 I HA 0.984 5.154 4.170 0.000 0.000 0.299 135 I C -0.147 176.074 176.117 0.173 0.000 1.059 135 I CA -1.298 60.021 61.300 0.032 0.000 1.055 135 I CB 2.534 40.577 38.000 0.072 0.000 1.243 135 I HN 1.045 nan 8.210 nan 0.000 0.425 136 G N 4.264 113.175 108.800 0.186 0.000 2.319 136 G HA2 0.505 4.465 3.960 0.000 0.000 0.308 136 G HA3 0.505 4.465 3.960 0.000 0.000 0.308 136 G C -0.577 174.344 174.900 0.034 0.000 1.117 136 G CA -0.490 44.708 45.100 0.162 0.000 0.903 136 G HN 0.480 nan 8.290 nan 0.000 0.436 137 V N 3.805 123.713 119.914 -0.011 0.000 2.372 137 V HA 0.522 4.642 4.120 0.000 0.000 0.261 137 V C 1.339 177.359 176.094 -0.124 0.000 1.055 137 V CA 1.129 63.385 62.300 -0.074 0.000 0.930 137 V CB -0.079 31.694 31.823 -0.083 0.000 1.031 137 V HN 1.456 nan 8.190 nan 0.000 0.479 138 G N 5.784 114.494 108.800 -0.150 0.000 2.622 138 G HA2 -0.230 3.730 3.960 0.000 0.000 0.272 138 G HA3 -0.230 3.730 3.960 0.000 0.000 0.272 138 G C 0.045 174.839 174.900 -0.176 0.000 1.308 138 G CA -0.010 44.967 45.100 -0.204 0.000 0.919 138 G HN 0.828 nan 8.290 nan 0.000 0.565 139 T N 1.051 115.489 114.554 -0.193 0.000 2.821 139 T HA 0.498 4.848 4.350 0.000 0.000 0.307 139 T C 1.383 175.936 174.700 -0.245 0.000 1.034 139 T CA -0.540 61.461 62.100 -0.166 0.000 0.953 139 T CB 1.482 70.288 68.868 -0.103 0.000 0.968 139 T HN 0.501 nan 8.240 nan 0.000 0.462 140 L N 1.970 122.995 121.223 -0.330 0.000 2.027 140 L HA 0.242 4.582 4.340 0.000 0.000 0.206 140 L C 0.140 176.469 176.870 -0.902 0.000 1.074 140 L CA 1.760 56.198 54.840 -0.670 0.000 0.745 140 L CB -0.580 41.019 42.059 -0.767 0.000 0.898 140 L HN 0.549 nan 8.230 nan 0.000 0.433 141 F N -2.400 117.530 119.950 -0.033 0.000 2.640 141 F HA 0.510 5.037 4.527 0.001 0.000 0.324 141 F C -2.160 173.645 175.800 0.008 0.000 1.077 141 F CA -2.987 55.014 58.000 0.001 0.000 0.965 141 F CB 0.053 39.063 39.000 0.017 0.000 1.351 141 F HN -0.342 nan 8.300 nan 0.000 0.487 142 P HA 0.225 nan 4.420 nan 0.000 0.271 142 P C -0.677 176.696 177.300 0.122 0.000 1.216 142 P CA -0.024 63.160 63.100 0.139 0.000 0.771 142 P CB 0.889 32.667 31.700 0.131 0.000 0.864 143 T N 2.267 116.868 114.554 0.079 0.000 3.172 143 T HA 0.324 4.674 4.350 0.000 0.000 0.320 143 T C 0.486 175.211 174.700 0.042 0.000 1.085 143 T CA -0.612 61.529 62.100 0.069 0.000 1.052 143 T CB 0.282 69.183 68.868 0.056 0.000 1.107 143 T HN 0.019 nan 8.240 nan 0.000 0.458 144 L N 3.707 124.953 121.223 0.038 0.000 2.554 144 L HA 0.289 4.630 4.340 0.000 0.000 0.226 144 L C 2.371 179.250 176.870 0.015 0.000 1.137 144 L CA 0.779 55.633 54.840 0.022 0.000 0.863 144 L CB -1.659 40.410 42.059 0.016 0.000 0.985 144 L HN 0.580 nan 8.230 nan 0.000 0.451 145 T N -1.061 113.503 114.554 0.017 0.000 2.867 145 T HA -0.111 4.239 4.350 0.000 0.000 0.268 145 T C 1.077 175.775 174.700 -0.004 0.000 1.057 145 T CA 0.968 63.072 62.100 0.005 0.000 1.136 145 T CB -0.151 68.719 68.868 0.003 0.000 0.874 145 T HN 0.085 nan 8.240 nan 0.000 0.466 146 K N 2.966 123.364 120.400 -0.003 0.000 2.262 146 K HA 0.174 4.494 4.320 0.000 0.000 0.288 146 K C -0.264 176.336 176.600 -0.000 0.000 1.090 146 K CA -0.032 56.252 56.287 -0.005 0.000 0.918 146 K CB 0.136 32.631 32.500 -0.009 0.000 1.139 146 K HN 0.064 nan 8.250 nan 0.000 0.462 147 K N 2.932 123.331 120.400 -0.001 0.000 2.298 147 K HA 0.150 4.470 4.320 0.000 0.000 0.280 147 K C -0.275 176.326 176.600 0.002 0.000 1.032 147 K CA 0.796 57.083 56.287 0.000 0.000 0.958 147 K CB 0.089 32.587 32.500 -0.003 0.000 0.978 147 K HN 0.903 nan 8.250 nan 0.000 0.472 148 N N 3.141 121.843 118.700 0.003 0.000 2.637 148 N HA -0.121 4.619 4.740 0.000 0.000 0.287 148 N C -2.457 173.056 175.510 0.004 0.000 1.130 148 N CA 0.497 53.550 53.050 0.004 0.000 0.764 148 N CB -1.650 36.839 38.487 0.003 0.000 0.935 148 N HN 0.413 nan 8.380 nan 0.000 0.558 149 P HA 0.562 nan 4.420 nan 0.000 0.288 149 P C 0.825 178.130 177.300 0.008 0.000 1.267 149 P CA 0.391 63.494 63.100 0.005 0.000 0.815 149 P CB 1.487 33.191 31.700 0.007 0.000 0.989 150 K N 2.895 123.300 120.400 0.008 0.000 2.128 150 K HA 0.065 4.385 4.320 0.000 0.000 0.202 150 K C 1.215 177.833 176.600 0.031 0.000 1.050 150 K CA 1.048 57.342 56.287 0.012 0.000 0.966 150 K CB -0.449 32.052 32.500 0.002 0.000 0.759 150 K HN 0.514 nan 8.250 nan 0.000 0.454 151 K N -1.145 119.282 120.400 0.046 0.000 2.762 151 K HA 0.744 5.064 4.320 0.000 0.000 0.292 151 K C -0.361 176.270 176.600 0.051 0.000 1.008 151 K CA -0.333 56.007 56.287 0.089 0.000 1.142 151 K CB 1.486 34.055 32.500 0.116 0.000 1.490 151 K HN 0.321 nan 8.250 nan 0.000 0.581 152 A N 0.735 123.578 122.820 0.038 0.000 2.515 152 A HA 0.496 4.816 4.320 0.000 0.000 0.298 152 A C -2.706 174.858 177.584 -0.033 0.000 1.059 152 A CA -1.683 50.362 52.037 0.013 0.000 0.698 152 A CB 0.829 19.850 19.000 0.035 0.000 1.289 152 A HN 0.345 nan 8.150 nan 0.000 0.404 153 P HA -0.011 nan 4.420 nan 0.000 0.253 153 P C 0.593 177.844 177.300 -0.081 0.000 1.159 153 P CA 0.637 63.714 63.100 -0.037 0.000 0.779 153 P CB 0.210 31.936 31.700 0.043 0.000 0.745 154 M N 2.819 122.317 119.600 -0.170 0.000 2.447 154 M HA 0.137 4.617 4.480 0.000 0.000 0.266 154 M C 0.835 177.017 176.300 -0.197 0.000 1.120 154 M CA 1.417 56.595 55.300 -0.202 0.000 1.166 154 M CB -0.111 32.318 32.600 -0.284 0.000 1.349 154 M HN 0.595 nan 8.290 nan 0.000 0.463 155 G N 0.133 108.751 108.800 -0.304 0.000 2.846 155 G HA2 -0.285 3.675 3.960 0.000 0.000 0.660 155 G HA3 -0.285 3.675 3.960 0.000 0.000 0.660 155 G C 0.327 175.068 174.900 -0.264 0.000 1.464 155 G CA 0.009 44.926 45.100 -0.305 0.000 0.891 155 G HN 0.489 nan 8.290 nan 0.000 0.552 156 T N -1.103 113.337 114.554 -0.189 0.000 2.653 156 T HA -0.043 4.307 4.350 0.000 0.000 0.268 156 T C 2.778 177.386 174.700 -0.153 0.000 1.035 156 T CA 3.341 65.349 62.100 -0.153 0.000 1.154 156 T CB -0.835 67.981 68.868 -0.087 0.000 0.862 156 T HN 2.249 nan 8.240 nan 0.000 0.441 157 A N 2.313 125.070 122.820 -0.106 0.000 1.881 157 A HA 0.007 4.327 4.320 0.000 0.000 0.219 157 A C 2.828 180.345 177.584 -0.112 0.000 1.215 157 A CA 2.408 54.382 52.037 -0.105 0.000 0.648 157 A CB -1.775 17.238 19.000 0.022 0.000 0.832 157 A HN 0.704 nan 8.150 nan 0.000 0.455 158 G N -1.244 107.484 108.800 -0.121 0.000 2.432 158 G HA2 0.056 4.016 3.960 0.000 0.000 0.219 158 G HA3 0.056 4.016 3.960 0.000 0.000 0.219 158 G C 1.676 176.471 174.900 -0.175 0.000 1.135 158 G CA 1.439 46.447 45.100 -0.154 0.000 0.767 158 G HN 0.899 nan 8.290 nan 0.000 0.550 159 A N 0.867 123.578 122.820 -0.182 0.000 1.898 159 A HA 0.077 4.398 4.320 0.000 0.000 0.216 159 A C 2.366 179.871 177.584 -0.131 0.000 1.181 159 A CA 1.084 53.020 52.037 -0.168 0.000 0.620 159 A CB -0.335 18.559 19.000 -0.176 0.000 0.819 159 A HN 0.350 nan 8.150 nan 0.000 0.442 160 I N -1.082 119.408 120.570 -0.133 0.000 2.118 160 I HA -0.324 3.846 4.170 0.000 0.000 0.241 160 I C 2.767 178.837 176.117 -0.080 0.000 1.070 160 I CA 1.831 63.064 61.300 -0.111 0.000 1.327 160 I CB -0.359 37.556 38.000 -0.141 0.000 1.034 160 I HN 0.276 nan 8.210 nan 0.000 0.405 161 R N 0.193 120.646 120.500 -0.078 0.000 2.119 161 R HA -0.183 4.157 4.340 0.000 0.000 0.246 161 R C 2.140 178.413 176.300 -0.045 0.000 1.146 161 R CA 1.612 57.682 56.100 -0.050 0.000 0.962 161 R CB -0.557 29.717 30.300 -0.043 0.000 0.863 161 R HN 0.250 nan 8.270 nan 0.000 0.442 162 V N 0.702 120.575 119.914 -0.068 0.000 2.261 162 V HA -0.254 3.866 4.120 0.000 0.000 0.246 162 V C 2.278 178.342 176.094 -0.051 0.000 1.047 162 V CA 1.868 64.133 62.300 -0.058 0.000 1.015 162 V CB -0.597 31.177 31.823 -0.082 0.000 0.642 162 V HN 0.275 nan 8.190 nan 0.000 0.446 163 L N -0.024 121.164 121.223 -0.058 0.000 1.978 163 L HA -0.287 4.053 4.340 0.000 0.000 0.218 163 L C 2.479 179.326 176.870 -0.037 0.000 1.075 163 L CA 2.150 56.960 54.840 -0.050 0.000 0.767 163 L CB -0.958 41.072 42.059 -0.048 0.000 0.890 163 L HN 0.329 nan 8.230 nan 0.000 0.434 164 D N -0.054 120.329 120.400 -0.028 0.000 2.116 164 D HA -0.213 4.428 4.640 0.000 0.000 0.193 164 D C 2.173 178.463 176.300 -0.017 0.000 0.998 164 D CA 1.646 55.637 54.000 -0.016 0.000 0.836 164 D CB -0.171 40.623 40.800 -0.010 0.000 0.951 164 D HN 0.363 nan 8.370 nan 0.000 0.449 165 A N 0.198 123.008 122.820 -0.017 0.000 1.986 165 A HA -0.164 4.156 4.320 0.000 0.000 0.220 165 A C 2.310 179.876 177.584 -0.030 0.000 1.171 165 A CA 1.046 53.076 52.037 -0.011 0.000 0.640 165 A CB -0.774 18.226 19.000 0.001 0.000 0.811 165 A HN 0.294 nan 8.150 nan 0.000 0.451 166 L N -0.799 120.393 121.223 -0.053 0.000 2.275 166 L HA -0.133 4.208 4.340 0.000 0.000 0.215 166 L C 2.468 179.290 176.870 -0.080 0.000 1.119 166 L CA 0.888 55.670 54.840 -0.097 0.000 0.790 166 L CB -0.333 41.656 42.059 -0.118 0.000 0.919 166 L HN 0.389 nan 8.230 nan 0.000 0.443 167 E N -0.241 119.934 120.200 -0.040 0.000 2.057 167 E HA -0.113 4.237 4.350 0.000 0.000 0.190 167 E C 2.061 178.659 176.600 -0.004 0.000 0.969 167 E CA 0.293 56.682 56.400 -0.018 0.000 0.812 167 E CB -0.195 29.500 29.700 -0.010 0.000 0.777 167 E HN 0.296 nan 8.360 nan 0.000 0.455 168 R N 1.037 121.535 120.500 -0.003 0.000 2.159 168 R HA -0.228 4.112 4.340 0.000 0.000 0.249 168 R C 1.555 177.864 176.300 0.016 0.000 1.136 168 R CA 2.300 58.404 56.100 0.007 0.000 0.951 168 R CB -0.187 30.117 30.300 0.007 0.000 0.876 168 R HN 0.093 nan 8.270 nan 0.000 0.440 169 N N 0.229 118.933 118.700 0.006 0.000 2.463 169 N HA -0.074 4.666 4.740 0.000 0.000 0.181 169 N C -0.431 175.104 175.510 0.042 0.000 1.078 169 N CA 0.415 53.479 53.050 0.023 0.000 0.902 169 N CB 0.073 38.565 38.487 0.007 0.000 0.970 169 N HN 0.251 nan 8.380 nan 0.000 0.451 170 N N 0.462 119.175 118.700 0.022 0.000 2.586 170 N HA -0.239 4.501 4.740 0.000 0.000 0.282 170 N C -0.986 174.546 175.510 0.036 0.000 1.171 170 N CA 0.614 53.704 53.050 0.066 0.000 0.733 170 N CB -0.929 37.644 38.487 0.144 0.000 0.910 170 N HN 0.303 nan 8.380 nan 0.000 0.548 171 A N 4.016 126.676 122.820 -0.266 0.000 3.213 171 A HA 0.202 4.522 4.320 0.000 0.000 0.308 171 A C 1.454 178.584 177.584 -0.756 0.000 1.177 171 A CA 0.045 51.500 52.037 -0.970 0.000 1.010 171 A CB -0.378 17.863 19.000 -1.266 0.000 1.092 171 A HN 0.725 nan 8.150 nan 0.000 0.583 172 H N -1.247 117.763 119.070 -0.101 0.000 2.505 172 H HA -0.287 4.269 4.556 0.000 0.000 0.295 172 H C 1.400 176.763 175.328 0.059 0.000 1.121 172 H CA 1.986 58.045 56.048 0.019 0.000 1.217 172 H CB -0.631 29.207 29.762 0.127 0.000 1.357 172 H HN 0.947 nan 8.280 nan 0.000 0.533 173 W N 0.935 122.047 121.300 -0.313 0.000 2.863 173 W HA 0.308 4.968 4.660 0.001 0.000 0.258 173 W C 0.294 176.786 176.519 -0.044 0.000 1.298 173 W CA -0.568 56.687 57.345 -0.150 0.000 1.451 173 W CB -0.439 28.873 29.460 -0.247 0.000 1.107 173 W HN 0.160 nan 8.180 nan 0.000 0.641 174 C N 5.292 124.302 119.300 -0.484 0.000 2.251 174 C HA 0.504 4.964 4.460 0.000 0.000 0.323 174 C C 0.733 175.620 174.990 -0.171 0.000 1.241 174 C CA -1.254 57.558 59.018 -0.345 0.000 1.601 174 C CB -0.571 26.791 27.740 -0.630 0.000 2.251 174 C HN 0.148 nan 8.230 nan 0.000 0.488 175 R N 2.997 123.455 120.500 -0.070 0.000 2.726 175 R HA 0.527 4.867 4.340 0.000 0.000 0.272 175 R C 0.502 176.719 176.300 -0.138 0.000 1.097 175 R CA 0.063 56.067 56.100 -0.160 0.000 1.198 175 R CB 0.569 30.630 30.300 -0.398 0.000 1.114 175 R HN 0.876 nan 8.270 nan 0.000 0.550 176 T N -3.020 111.437 114.554 -0.162 0.000 2.909 176 T HA 0.616 4.966 4.350 0.000 0.000 0.299 176 T C -0.392 174.270 174.700 -0.063 0.000 1.073 176 T CA -0.880 61.179 62.100 -0.067 0.000 0.999 176 T CB 1.618 70.457 68.868 -0.048 0.000 1.098 176 T HN 0.424 nan 8.240 nan 0.000 0.477 177 V N -0.711 119.226 119.914 0.038 0.000 2.760 177 V HA 0.968 5.088 4.120 0.000 0.000 0.309 177 V C 0.161 176.272 176.094 0.029 0.000 1.077 177 V CA -0.588 61.751 62.300 0.064 0.000 0.910 177 V CB 1.449 33.388 31.823 0.192 0.000 1.008 177 V HN 1.377 nan 8.190 nan 0.000 0.424 178 G N 3.376 112.170 108.800 -0.010 0.000 2.395 178 G HA2 0.692 4.652 3.960 0.000 0.000 0.283 178 G HA3 0.692 4.652 3.960 0.000 0.000 0.283 178 G C -0.914 173.944 174.900 -0.070 0.000 1.178 178 G CA -0.539 44.526 45.100 -0.058 0.000 0.837 178 G HN 1.203 nan 8.290 nan 0.000 0.518 179 I N -0.025 120.484 120.570 -0.102 0.000 2.913 179 I HA 0.642 4.812 4.170 0.000 0.000 0.302 179 I C 0.023 176.069 176.117 -0.118 0.000 1.246 179 I CA -0.271 60.959 61.300 -0.117 0.000 1.010 179 I CB 2.205 40.124 38.000 -0.136 0.000 1.259 179 I HN 1.226 nan 8.210 nan 0.000 0.434 180 G N 4.092 112.829 108.800 -0.105 0.000 2.897 180 G HA2 0.331 4.291 3.960 0.000 0.000 0.436 180 G HA3 0.331 4.291 3.960 0.000 0.000 0.436 180 G C 0.477 175.376 174.900 -0.001 0.000 1.079 180 G CA -0.177 44.881 45.100 -0.071 0.000 1.090 180 G HN 1.908 nan 8.290 nan 0.000 0.480 181 G N -0.446 108.343 108.800 -0.017 0.000 2.184 181 G HA2 -0.022 3.938 3.960 0.000 0.000 0.206 181 G HA3 -0.022 3.938 3.960 0.000 0.000 0.206 181 G C 0.424 175.302 174.900 -0.036 0.000 0.995 181 G CA 0.149 45.295 45.100 0.077 0.000 0.651 181 G HN 1.514 nan 8.290 nan 0.000 0.511 182 L N 2.451 123.598 121.223 -0.126 0.000 2.410 182 L HA 0.522 4.862 4.340 0.000 0.000 0.273 182 L C 0.725 177.333 176.870 -0.437 0.000 1.144 182 L CA 0.376 55.141 54.840 -0.126 0.000 0.863 182 L CB -0.207 41.810 42.059 -0.071 0.000 1.140 182 L HN 0.266 nan 8.230 nan 0.000 0.463 183 H N 3.826 122.877 119.070 -0.032 0.000 2.931 183 H HA 0.318 4.874 4.556 0.001 0.000 0.331 183 H C -1.812 173.474 175.328 -0.070 0.000 1.273 183 H CA -1.590 54.426 56.048 -0.052 0.000 1.171 183 H CB 1.288 31.011 29.762 -0.064 0.000 1.898 183 H HN 0.152 nan 8.280 nan 0.000 0.562 184 P HA -0.091 nan 4.420 nan 0.000 0.231 184 P C 0.466 177.745 177.300 -0.035 0.000 1.158 184 P CA 1.389 64.489 63.100 0.001 0.000 0.763 184 P CB 0.000 31.702 31.700 0.003 0.000 0.805 185 D N -2.007 118.373 120.400 -0.032 0.000 2.349 185 D HA -0.043 4.597 4.640 0.000 0.000 0.214 185 D C 1.010 177.247 176.300 -0.104 0.000 1.063 185 D CA 0.151 54.112 54.000 -0.064 0.000 0.847 185 D CB -0.586 40.172 40.800 -0.070 0.000 0.933 185 D HN 0.112 nan 8.370 nan 0.000 0.513 186 N N -0.365 118.261 118.700 -0.123 0.000 1.952 186 N HA 0.044 4.785 4.740 0.000 0.000 0.228 186 N C 0.895 176.327 175.510 -0.130 0.000 1.398 186 N CA -0.284 52.670 53.050 -0.159 0.000 0.817 186 N CB -0.813 37.496 38.487 -0.298 0.000 1.101 186 N HN 0.183 nan 8.380 nan 0.000 0.498 187 I N 1.322 121.815 120.570 -0.128 0.000 2.361 187 I HA -0.166 4.005 4.170 0.000 0.000 0.251 187 I C 2.058 178.015 176.117 -0.267 0.000 1.133 187 I CA 1.332 62.554 61.300 -0.129 0.000 1.413 187 I CB 0.064 38.012 38.000 -0.087 0.000 1.073 187 I HN 0.221 nan 8.210 nan 0.000 0.424 188 E N 0.258 120.201 120.200 -0.429 0.000 2.015 188 E HA -0.271 4.079 4.350 0.000 0.000 0.191 188 E C 2.235 178.325 176.600 -0.850 0.000 0.991 188 E CA 1.080 56.974 56.400 -0.844 0.000 0.802 188 E CB -0.206 28.790 29.700 -1.173 0.000 0.759 188 E HN 0.324 nan 8.360 nan 0.000 0.447 189 R N 0.875 121.016 120.500 -0.598 0.000 2.159 189 R HA -0.144 4.196 4.340 0.000 0.000 0.237 189 R C 1.973 178.249 176.300 -0.041 0.000 1.131 189 R CA 0.972 57.003 56.100 -0.114 0.000 0.982 189 R CB -0.041 30.293 30.300 0.055 0.000 0.868 189 R HN 0.038 nan 8.270 nan 0.000 0.453 190 V N 0.520 120.384 119.914 -0.084 0.000 2.407 190 V HA -0.163 3.958 4.120 0.000 0.000 0.245 190 V C 2.048 178.087 176.094 -0.091 0.000 1.041 190 V CA 0.994 63.279 62.300 -0.025 0.000 1.040 190 V CB -0.288 31.554 31.823 0.031 0.000 0.671 190 V HN 0.255 nan 8.190 nan 0.000 0.455 191 L N -0.931 120.183 121.223 -0.181 0.000 2.141 191 L HA -0.122 4.218 4.340 0.000 0.000 0.209 191 L C 2.151 178.963 176.870 -0.095 0.000 1.094 191 L CA 1.738 56.483 54.840 -0.159 0.000 0.763 191 L CB -1.152 40.759 42.059 -0.246 0.000 0.908 191 L HN 0.433 nan 8.230 nan 0.000 0.437 192 Y N 0.633 120.711 120.300 -0.369 0.000 2.114 192 Y HA -0.331 4.220 4.550 0.000 0.000 0.284 192 Y C 2.306 178.124 175.900 -0.137 0.000 1.143 192 Y CA 1.705 59.686 58.100 -0.198 0.000 1.135 192 Y CB 0.345 38.733 38.460 -0.120 0.000 0.980 192 Y HN 0.432 nan 8.280 nan 0.000 0.499 193 Q N -2.086 117.602 119.800 -0.187 0.000 2.280 193 Q HA 0.158 4.498 4.340 0.000 0.000 0.228 193 Q C 0.514 176.348 176.000 -0.275 0.000 0.857 193 Q CA 0.067 55.639 55.803 -0.385 0.000 0.939 193 Q CB -0.008 28.490 28.738 -0.400 0.000 1.114 193 Q HN 0.232 nan 8.270 nan 0.000 0.514 194 C N 3.373 122.573 119.300 -0.167 0.000 3.025 194 C HA 0.407 4.868 4.460 0.000 0.000 0.547 194 C C 0.437 175.366 174.990 -0.103 0.000 1.058 194 C CA -0.930 58.007 59.018 -0.135 0.000 1.164 194 C CB -1.789 25.889 27.740 -0.103 0.000 1.405 194 C HN 0.363 nan 8.230 nan 0.000 0.610 195 V N 0.094 119.932 119.914 -0.128 0.000 2.735 195 V HA 0.696 4.817 4.120 0.000 0.000 0.310 195 V C 0.163 176.255 176.094 -0.003 0.000 1.061 195 V CA -0.453 61.814 62.300 -0.054 0.000 0.913 195 V CB 1.551 33.340 31.823 -0.056 0.000 1.005 195 V HN 0.388 nan 8.190 nan 0.000 0.428 196 S N 2.842 118.565 115.700 0.038 0.000 2.553 196 S HA 0.049 4.519 4.470 0.000 0.000 0.271 196 S C 1.398 176.092 174.600 0.156 0.000 1.362 196 S CA 0.645 58.878 58.200 0.056 0.000 1.010 196 S CB 0.805 64.027 63.200 0.037 0.000 0.865 196 S HN 1.053 nan 8.310 nan 0.000 0.543 197 S N 1.770 117.540 115.700 0.117 0.000 2.436 197 S HA -0.056 4.414 4.470 0.000 0.000 0.228 197 S C 1.452 176.034 174.600 -0.029 0.000 1.014 197 S CA 0.912 59.206 58.200 0.155 0.000 0.950 197 S CB -0.468 62.771 63.200 0.065 0.000 0.784 197 S HN 0.897 nan 8.310 nan 0.000 0.504 198 N N 1.063 119.748 118.700 -0.025 0.000 2.449 198 N HA 0.153 4.894 4.740 0.000 0.000 0.191 198 N C 1.075 176.555 175.510 -0.050 0.000 1.161 198 N CA 0.841 53.845 53.050 -0.076 0.000 0.863 198 N CB -0.650 37.811 38.487 -0.044 0.000 0.980 198 N HN 0.294 nan 8.380 nan 0.000 0.458 199 G N -1.019 107.807 108.800 0.044 0.000 2.228 199 G HA2 -0.461 3.499 3.960 0.000 0.000 0.270 199 G HA3 -0.461 3.499 3.960 0.000 0.000 0.270 199 G C 1.275 176.220 174.900 0.075 0.000 0.976 199 G CA 1.161 46.334 45.100 0.121 0.000 0.636 199 G HN 0.836 nan 8.290 nan 0.000 0.542 200 K N -0.171 120.254 120.400 0.041 0.000 2.062 200 K HA 0.312 4.632 4.320 0.000 0.000 0.205 200 K C 1.449 178.070 176.600 0.036 0.000 1.051 200 K CA 1.696 58.001 56.287 0.031 0.000 0.941 200 K CB -0.028 32.481 32.500 0.016 0.000 0.719 200 K HN 0.755 nan 8.250 nan 0.000 0.440 201 R N 0.413 120.933 120.500 0.034 0.000 2.562 201 R HA 0.436 4.777 4.340 0.000 0.000 0.298 201 R C -0.642 175.671 176.300 0.022 0.000 0.961 201 R CA 0.256 56.369 56.100 0.021 0.000 0.881 201 R CB 1.831 32.131 30.300 0.001 0.000 1.159 201 R HN 0.491 nan 8.270 nan 0.000 0.450 202 S N 3.626 119.337 115.700 0.018 0.000 2.911 202 S HA 0.469 4.939 4.470 0.000 0.000 0.319 202 S C -0.402 174.198 174.600 -0.000 0.000 1.154 202 S CA -0.930 57.277 58.200 0.012 0.000 0.857 202 S CB 0.678 63.901 63.200 0.037 0.000 1.279 202 S HN 0.477 nan 8.310 nan 0.000 0.593 203 L N 1.884 123.107 121.223 0.001 0.000 2.410 203 L HA 0.233 4.573 4.340 0.000 0.000 0.273 203 L C 0.726 177.603 176.870 0.012 0.000 1.144 203 L CA -0.099 54.738 54.840 -0.005 0.000 0.863 203 L CB 0.309 42.363 42.059 -0.009 0.000 1.140 203 L HN 0.757 nan 8.230 nan 0.000 0.463 204 D N 2.578 122.973 120.400 -0.009 0.000 2.347 204 D HA 0.090 4.730 4.640 0.000 0.000 0.215 204 D C 0.717 177.057 176.300 0.066 0.000 0.976 204 D CA 0.527 54.532 54.000 0.008 0.000 0.884 204 D CB 0.787 41.540 40.800 -0.078 0.000 0.915 204 D HN 0.740 nan 8.370 nan 0.000 0.526 205 G N 0.164 109.003 108.800 0.064 0.000 2.377 205 G HA2 0.305 4.266 3.960 0.000 0.000 0.297 205 G HA3 0.305 4.266 3.960 0.000 0.000 0.297 205 G C -1.216 173.731 174.900 0.077 0.000 1.547 205 G CA -0.849 44.307 45.100 0.094 0.000 0.833 205 G HN -0.043 nan 8.290 nan 0.000 0.583 206 I N -0.261 120.345 120.570 0.061 0.000 2.532 206 I HA 0.457 4.628 4.170 0.000 0.000 0.292 206 I C 0.052 176.191 176.117 0.036 0.000 1.014 206 I CA -0.489 60.827 61.300 0.027 0.000 1.340 206 I CB 1.709 39.709 38.000 0.001 0.000 1.422 206 I HN 0.514 nan 8.210 nan 0.000 0.528 207 C N 7.665 126.949 119.300 -0.026 0.000 2.356 207 C HA 0.607 5.068 4.460 0.000 0.000 0.324 207 C C 0.087 174.993 174.990 -0.139 0.000 1.167 207 C CA -0.395 58.566 59.018 -0.096 0.000 1.420 207 C CB -0.409 27.201 27.740 -0.217 0.000 2.036 207 C HN 0.604 nan 8.230 nan 0.000 0.435 208 V N 5.085 124.928 119.914 -0.118 0.000 3.109 208 V HA 0.866 4.986 4.120 0.000 0.000 0.317 208 V C 0.139 176.158 176.094 -0.124 0.000 1.074 208 V CA -0.117 62.105 62.300 -0.131 0.000 1.033 208 V CB 1.431 33.194 31.823 -0.100 0.000 1.111 208 V HN 0.596 nan 8.190 nan 0.000 0.458 209 V N 0.204 120.056 119.914 -0.104 0.000 3.570 209 V HA 0.027 4.147 4.120 0.000 0.000 0.193 209 V C 2.234 178.310 176.094 -0.031 0.000 1.386 209 V CA 1.189 63.445 62.300 -0.074 0.000 1.285 209 V CB 0.402 32.177 31.823 -0.079 0.000 1.237 209 V HN 1.031 nan 8.190 nan 0.000 0.553 210 S N 0.151 115.850 115.700 -0.003 0.000 2.436 210 S HA -0.171 4.299 4.470 0.000 0.000 0.228 210 S C 1.479 176.137 174.600 0.096 0.000 1.014 210 S CA 1.642 59.876 58.200 0.056 0.000 0.950 210 S CB -0.263 62.999 63.200 0.104 0.000 0.784 210 S HN 0.569 nan 8.310 nan 0.000 0.504 211 D N 1.237 121.700 120.400 0.105 0.000 2.219 211 D HA 0.058 4.698 4.640 0.000 0.000 0.205 211 D C 1.523 177.855 176.300 0.053 0.000 0.970 211 D CA 0.976 55.061 54.000 0.141 0.000 0.851 211 D CB -0.110 40.783 40.800 0.155 0.000 0.943 211 D HN 0.531 nan 8.370 nan 0.000 0.488 212 I N -0.484 120.095 120.570 0.015 0.000 3.098 212 I HA -0.083 4.087 4.170 0.000 0.000 0.241 212 I C 2.033 178.146 176.117 -0.006 0.000 1.081 212 I CA -0.204 61.094 61.300 -0.003 0.000 1.487 212 I CB -0.036 37.952 38.000 -0.020 0.000 1.366 212 I HN -0.078 nan 8.210 nan 0.000 0.463 213 I N 1.779 122.341 120.570 -0.013 0.000 2.181 213 I HA -0.309 3.861 4.170 0.000 0.000 0.247 213 I C 2.186 178.301 176.117 -0.003 0.000 1.081 213 I CA 1.981 63.273 61.300 -0.013 0.000 1.340 213 I CB -1.158 36.831 38.000 -0.018 0.000 1.036 213 I HN 0.267 nan 8.210 nan 0.000 0.417 214 A N -0.409 122.414 122.820 0.004 0.000 2.465 214 A HA 0.163 4.483 4.320 0.000 0.000 0.255 214 A C 1.098 178.684 177.584 0.003 0.000 1.274 214 A CA 0.005 52.045 52.037 0.005 0.000 0.920 214 A CB -0.121 18.884 19.000 0.008 0.000 1.033 214 A HN 0.321 nan 8.150 nan 0.000 0.516 215 S N -0.557 115.145 115.700 0.004 0.000 2.584 215 S HA 0.397 4.867 4.470 0.000 0.000 0.273 215 S C 0.968 175.566 174.600 -0.003 0.000 1.311 215 S CA -0.551 57.649 58.200 0.000 0.000 1.034 215 S CB 0.426 63.627 63.200 0.003 0.000 0.939 215 S HN 0.266 nan 8.310 nan 0.000 0.513 216 L N 2.371 123.591 121.223 -0.006 0.000 2.217 216 L HA 0.272 4.612 4.340 0.000 0.000 0.211 216 L C 1.038 177.906 176.870 -0.002 0.000 1.107 216 L CA 0.912 55.749 54.840 -0.004 0.000 0.783 216 L CB -0.145 41.910 42.059 -0.007 0.000 0.919 216 L HN 0.587 nan 8.230 nan 0.000 0.442 217 D N -0.530 119.867 120.400 -0.004 0.000 2.412 217 D HA 0.360 5.000 4.640 0.000 0.000 0.276 217 D C 0.856 177.153 176.300 -0.004 0.000 1.196 217 D CA 0.193 54.192 54.000 -0.003 0.000 0.905 217 D CB 1.410 42.208 40.800 -0.003 0.000 1.081 217 D HN 0.022 nan 8.370 nan 0.000 0.502 218 A N 2.770 125.587 122.820 -0.005 0.000 1.849 218 A HA -0.153 4.167 4.320 0.000 0.000 0.217 218 A C 2.181 179.758 177.584 -0.012 0.000 1.202 218 A CA 2.091 54.122 52.037 -0.010 0.000 0.629 218 A CB -0.675 18.315 19.000 -0.017 0.000 0.834 218 A HN 0.548 nan 8.150 nan 0.000 0.447 219 A N -0.422 122.392 122.820 -0.011 0.000 1.997 219 A HA -0.261 4.059 4.320 0.000 0.000 0.221 219 A C 2.140 179.720 177.584 -0.006 0.000 1.172 219 A CA 2.405 54.437 52.037 -0.010 0.000 0.645 219 A CB -0.499 18.499 19.000 -0.003 0.000 0.813 219 A HN 0.654 nan 8.150 nan 0.000 0.454 220 K N -0.735 119.663 120.400 -0.004 0.000 2.076 220 K HA -0.042 4.278 4.320 0.000 0.000 0.204 220 K C 2.139 178.737 176.600 -0.003 0.000 1.051 220 K CA 1.371 57.657 56.287 -0.003 0.000 0.949 220 K CB -0.195 32.304 32.500 -0.003 0.000 0.726 220 K HN 0.365 nan 8.250 nan 0.000 0.443 221 S N 0.295 115.994 115.700 -0.003 0.000 2.399 221 S HA -0.092 4.379 4.470 0.000 0.000 0.231 221 S C 1.707 176.307 174.600 -0.001 0.000 1.022 221 S CA 1.724 59.925 58.200 0.001 0.000 0.983 221 S CB -0.212 62.991 63.200 0.004 0.000 0.803 221 S HN 0.467 nan 8.310 nan 0.000 0.480 222 T N 1.792 116.342 114.554 -0.007 0.000 2.857 222 T HA 0.004 4.355 4.350 0.000 0.000 0.266 222 T C 2.373 177.069 174.700 -0.006 0.000 1.048 222 T CA 1.542 63.636 62.100 -0.011 0.000 1.139 222 T CB -0.403 68.452 68.868 -0.021 0.000 0.874 222 T HN 0.581 nan 8.240 nan 0.000 0.455 223 K N 1.586 121.984 120.400 -0.004 0.000 2.057 223 K HA 0.066 4.387 4.320 0.000 0.000 0.207 223 K C 2.141 178.742 176.600 0.002 0.000 1.049 223 K CA 1.278 57.565 56.287 0.000 0.000 0.931 223 K CB -1.212 31.288 32.500 0.001 0.000 0.714 223 K HN 0.461 nan 8.250 nan 0.000 0.440 224 I N 0.589 121.160 120.570 0.002 0.000 2.142 224 I HA -0.274 3.896 4.170 0.000 0.000 0.240 224 I C 2.617 178.736 176.117 0.004 0.000 1.078 224 I CA 1.384 62.686 61.300 0.003 0.000 1.343 224 I CB -0.349 37.651 38.000 0.002 0.000 1.046 224 I HN 0.244 nan 8.210 nan 0.000 0.405 225 L N -0.091 121.133 121.223 0.002 0.000 2.013 225 L HA -0.266 4.074 4.340 0.000 0.000 0.212 225 L C 2.865 179.740 176.870 0.008 0.000 1.073 225 L CA 1.299 56.140 54.840 0.001 0.000 0.753 225 L CB -0.756 41.301 42.059 -0.003 0.000 0.890 225 L HN 0.265 nan 8.230 nan 0.000 0.432 226 R N 0.451 120.955 120.500 0.007 0.000 2.103 226 R HA -0.164 4.176 4.340 0.000 0.000 0.234 226 R C 2.232 178.542 176.300 0.018 0.000 1.132 226 R CA 1.738 57.844 56.100 0.011 0.000 0.925 226 R CB -1.545 28.759 30.300 0.007 0.000 0.842 226 R HN 0.455 nan 8.270 nan 0.000 0.430 227 G N 1.270 110.079 108.800 0.014 0.000 2.740 227 G HA2 -0.308 3.653 3.960 0.000 0.000 0.224 227 G HA3 -0.308 3.653 3.960 0.000 0.000 0.224 227 G C 1.362 176.281 174.900 0.032 0.000 1.156 227 G CA 1.523 46.633 45.100 0.018 0.000 0.766 227 G HN 0.262 nan 8.290 nan 0.000 0.623 228 L N 0.510 121.754 121.223 0.036 0.000 2.095 228 L HA 0.190 4.530 4.340 0.000 0.000 0.204 228 L C 2.895 179.837 176.870 0.121 0.000 1.080 228 L CA 0.697 55.576 54.840 0.065 0.000 0.759 228 L CB -0.614 41.454 42.059 0.015 0.000 0.914 228 L HN 0.242 nan 8.230 nan 0.000 0.439 229 I N 0.516 121.134 120.570 0.080 0.000 2.286 229 I HA -0.234 3.936 4.170 0.000 0.000 0.248 229 I C 0.940 177.115 176.117 0.097 0.000 1.115 229 I CA 1.515 62.874 61.300 0.098 0.000 1.392 229 I CB -0.466 37.567 38.000 0.055 0.000 1.065 229 I HN 0.427 nan 8.210 nan 0.000 0.418 230 D N -0.175 120.254 120.400 0.049 0.000 2.501 230 D HA 0.082 4.722 4.640 0.000 0.000 0.226 230 D C 0.511 176.795 176.300 -0.027 0.000 1.198 230 D CA -0.253 53.755 54.000 0.012 0.000 0.830 230 D CB -0.026 40.780 40.800 0.010 0.000 1.014 230 D HN 0.127 nan 8.370 nan 0.000 0.496 231 K N 0.041 120.422 120.400 -0.032 0.000 2.127 231 K HA 0.396 4.716 4.320 0.000 0.000 0.240 231 K C 0.390 176.787 176.600 -0.338 0.000 1.024 231 K CA -0.040 56.186 56.287 -0.102 0.000 0.918 231 K CB 0.828 33.312 32.500 -0.027 0.000 1.108 231 K HN 0.038 nan 8.250 nan 0.000 0.485 232 T N -2.619 111.677 114.554 -0.431 0.000 3.130 232 T HA 0.197 4.548 4.350 0.000 0.000 0.288 232 T C -0.621 173.709 174.700 -0.617 0.000 0.936 232 T CA -0.484 61.192 62.100 -0.706 0.000 0.897 232 T CB 0.255 68.921 68.868 -0.337 0.000 1.178 232 T HN 0.389 nan 8.240 nan 0.000 0.543 233 D N 1.978 122.196 120.400 -0.304 0.000 2.414 233 D HA 0.196 4.836 4.640 0.000 0.000 0.232 233 D C -1.395 175.050 176.300 0.241 0.000 1.070 233 D CA -0.426 53.559 54.000 -0.024 0.000 0.839 233 D CB 1.230 42.036 40.800 0.011 0.000 1.079 233 D HN 0.145 nan 8.370 nan 0.000 0.521 234 Y N 3.019 123.437 120.300 0.197 0.000 2.636 234 Y HA 0.140 4.691 4.550 0.000 0.000 0.341 234 Y C 0.305 176.227 175.900 0.037 0.000 1.169 234 Y CA -1.147 56.998 58.100 0.073 0.000 1.498 234 Y CB 0.049 38.299 38.460 -0.350 0.000 1.362 234 Y HN 0.044 nan 8.280 nan 0.000 0.494 235 K N 6.230 126.768 120.400 0.231 0.000 2.155 235 K HA 0.070 4.390 4.320 0.000 0.000 0.240 235 K C 0.306 176.892 176.600 -0.023 0.000 1.193 235 K CA -0.122 56.210 56.287 0.075 0.000 1.104 235 K CB -1.289 31.250 32.500 0.065 0.000 1.558 235 K HN 0.500 nan 8.250 nan 0.000 0.313 236 F N 1.153 120.803 119.950 -0.500 0.000 2.710 236 F HA 0.218 4.745 4.527 0.000 0.000 0.298 236 F C 0.083 175.738 175.800 -0.241 0.000 1.137 236 F CA -0.584 57.046 58.000 -0.618 0.000 1.444 236 F CB -0.012 38.239 39.000 -1.249 0.000 1.111 236 F HN 0.010 nan 8.300 nan 0.000 0.580 237 V N 1.149 120.608 119.914 -0.758 0.000 2.932 237 V HA 0.388 4.508 4.120 0.000 0.000 0.307 237 V C -0.586 175.319 176.094 -0.316 0.000 1.147 237 V CA -0.912 61.042 62.300 -0.577 0.000 0.951 237 V CB 1.732 33.054 31.823 -0.835 0.000 1.031 237 V HN 0.104 nan 8.190 nan 0.000 0.426 238 N N 4.969 123.561 118.700 -0.180 0.000 2.683 238 N HA 0.310 5.050 4.740 0.000 0.000 0.256 238 N C -0.510 174.954 175.510 -0.076 0.000 1.270 238 N CA 0.381 53.368 53.050 -0.106 0.000 0.954 238 N CB -0.959 37.481 38.487 -0.078 0.000 1.289 238 N HN 0.654 nan 8.380 nan 0.000 0.508 239 I N -1.755 118.756 120.570 -0.099 0.000 3.074 239 I HA 0.411 4.582 4.170 0.000 0.000 0.310 239 I C 0.815 176.908 176.117 -0.039 0.000 1.153 239 I CA -1.582 59.688 61.300 -0.049 0.000 0.993 239 I CB 1.994 39.969 38.000 -0.041 0.000 1.237 239 I HN -0.042 nan 8.210 nan 0.000 0.443 240 G N 2.638 111.436 108.800 -0.003 0.000 2.483 240 G HA2 0.546 4.506 3.960 0.000 0.000 0.248 240 G HA3 0.546 4.506 3.960 0.000 0.000 0.248 240 G C -0.756 174.158 174.900 0.024 0.000 1.248 240 G CA -0.279 44.828 45.100 0.012 0.000 0.838 240 G HN 0.431 nan 8.290 nan 0.000 0.566 241 L N 2.156 123.405 121.223 0.044 0.000 2.408 241 L HA 0.400 4.740 4.340 0.000 0.000 0.257 241 L C 0.055 176.957 176.870 0.054 0.000 1.053 241 L CA -0.299 54.587 54.840 0.076 0.000 0.922 241 L CB 1.020 43.165 42.059 0.143 0.000 1.261 241 L HN 0.412 nan 8.230 nan 0.000 0.458 247 L N 3.004 124.412 121.223 0.308 0.000 2.832 247 L HA -0.099 4.241 4.340 0.000 0.000 0.334 247 L C 0.989 177.896 176.870 0.061 0.000 1.254 247 L CA 0.861 55.785 54.840 0.140 0.000 0.844 247 L CB 0.205 42.330 42.059 0.111 0.000 1.090 247 L HN 0.570 nan 8.230 nan 0.000 0.550 248 T N 1.369 115.909 114.554 -0.023 0.000 2.907 248 T HA 0.295 4.645 4.350 0.000 0.000 0.298 248 T C 0.300 174.907 174.700 -0.155 0.000 1.017 248 T CA -0.344 61.623 62.100 -0.222 0.000 1.118 248 T CB 0.947 69.705 68.868 -0.184 0.000 0.948 248 T HN 0.761 nan 8.240 nan 0.000 0.531 249 T N -0.257 114.178 114.554 -0.198 0.000 2.925 249 T HA 0.291 4.642 4.350 0.000 0.000 0.285 249 T C 1.573 176.190 174.700 -0.139 0.000 1.021 249 T CA -0.762 61.263 62.100 -0.125 0.000 1.042 249 T CB 1.238 70.048 68.868 -0.097 0.000 1.037 249 T HN 0.397 nan 8.240 nan 0.000 0.481 250 T N 1.624 116.098 114.554 -0.133 0.000 2.685 250 T HA -0.140 4.211 4.350 0.000 0.000 0.268 250 T C 1.208 175.800 174.700 -0.180 0.000 1.034 250 T CA 1.983 63.973 62.100 -0.183 0.000 1.149 250 T CB -0.467 68.296 68.868 -0.176 0.000 0.860 250 T HN 0.712 nan 8.240 nan 0.000 0.449 251 D N 0.228 120.550 120.400 -0.130 0.000 2.289 251 D HA 0.035 4.676 4.640 0.000 0.000 0.207 251 D C 2.094 178.340 176.300 -0.091 0.000 0.966 251 D CA 0.526 54.462 54.000 -0.106 0.000 0.868 251 D CB -0.100 40.655 40.800 -0.076 0.000 0.943 251 D HN 0.508 nan 8.370 nan 0.000 0.514 252 E N 0.621 120.761 120.200 -0.101 0.000 2.006 252 E HA -0.054 4.296 4.350 0.000 0.000 0.192 252 E C 2.229 178.786 176.600 -0.072 0.000 0.993 252 E CA 0.391 56.739 56.400 -0.086 0.000 0.808 252 E CB -0.018 29.586 29.700 -0.161 0.000 0.764 252 E HN 0.160 nan 8.360 nan 0.000 0.449 253 I N 1.374 121.883 120.570 -0.102 0.000 2.300 253 I HA -0.378 3.792 4.170 0.000 0.000 0.252 253 I C 2.707 178.771 176.117 -0.088 0.000 1.119 253 I CA 1.322 62.575 61.300 -0.077 0.000 1.384 253 I CB -0.263 37.658 38.000 -0.131 0.000 1.062 253 I HN 0.250 nan 8.210 nan 0.000 0.426 254 Q N 0.720 120.442 119.800 -0.130 0.000 2.083 254 Q HA -0.188 4.152 4.340 0.000 0.000 0.198 254 Q C 2.283 178.248 176.000 -0.058 0.000 0.969 254 Q CA 2.130 57.861 55.803 -0.121 0.000 0.838 254 Q CB 0.041 28.695 28.738 -0.139 0.000 0.900 254 Q HN 0.592 nan 8.270 nan 0.000 0.436 255 S N -0.432 115.242 115.700 -0.043 0.000 2.461 255 S HA -0.061 4.409 4.470 0.000 0.000 0.228 255 S C 1.743 176.339 174.600 -0.007 0.000 1.005 255 S CA 0.437 58.624 58.200 -0.022 0.000 0.942 255 S CB -0.172 63.020 63.200 -0.014 0.000 0.776 255 S HN 0.274 nan 8.310 nan 0.000 0.514 256 I N 2.762 123.334 120.570 0.003 0.000 2.179 256 I HA -0.084 4.086 4.170 0.000 0.000 0.242 256 I C 2.282 178.409 176.117 0.016 0.000 1.088 256 I CA 0.854 62.166 61.300 0.020 0.000 1.357 256 I CB -0.615 37.410 38.000 0.042 0.000 1.051 256 I HN 0.304 nan 8.210 nan 0.000 0.409 257 I N -0.628 119.959 120.570 0.029 0.000 2.394 257 I HA -0.250 3.920 4.170 0.000 0.000 0.251 257 I C 2.380 178.497 176.117 0.001 0.000 1.136 257 I CA 0.855 62.177 61.300 0.036 0.000 1.425 257 I CB -0.516 37.533 38.000 0.082 0.000 1.079 257 I HN 0.163 nan 8.210 nan 0.000 0.425 258 S N 1.199 116.892 115.700 -0.011 0.000 2.344 258 S HA -0.153 4.317 4.470 0.000 0.000 0.217 258 S C 1.780 176.358 174.600 -0.036 0.000 1.033 258 S CA 1.350 59.536 58.200 -0.024 0.000 1.017 258 S CB -0.448 62.738 63.200 -0.023 0.000 0.941 258 S HN 0.464 nan 8.310 nan 0.000 0.430 259 N N 1.162 119.838 118.700 -0.040 0.000 2.037 259 N HA -0.127 4.613 4.740 0.000 0.000 0.196 259 N C 1.886 177.329 175.510 -0.110 0.000 1.034 259 N CA 1.745 54.751 53.050 -0.073 0.000 0.861 259 N CB -1.051 37.400 38.487 -0.062 0.000 1.039 259 N HN 0.339 nan 8.380 nan 0.000 0.427 260 T N 2.468 116.975 114.554 -0.078 0.000 2.597 260 T HA -0.124 4.227 4.350 0.000 0.000 0.267 260 T C 2.234 176.890 174.700 -0.074 0.000 1.053 260 T CA 1.006 63.059 62.100 -0.078 0.000 1.165 260 T CB -0.418 68.430 68.868 -0.033 0.000 0.863 260 T HN 0.137 nan 8.240 nan 0.000 0.427 261 L N 0.571 121.763 121.223 -0.052 0.000 2.012 261 L HA -0.121 4.219 4.340 0.000 0.000 0.210 261 L C 2.703 179.545 176.870 -0.047 0.000 1.073 261 L CA 1.557 56.371 54.840 -0.045 0.000 0.748 261 L CB -0.389 41.645 42.059 -0.041 0.000 0.891 261 L HN 0.204 nan 8.230 nan 0.000 0.431 262 K N -0.044 120.323 120.400 -0.055 0.000 2.288 262 K HA -0.104 4.216 4.320 0.000 0.000 0.201 262 K C 1.637 178.203 176.600 -0.057 0.000 1.048 262 K CA 1.124 57.384 56.287 -0.045 0.000 0.956 262 K CB 0.092 32.568 32.500 -0.039 0.000 0.746 262 K HN 0.306 nan 8.250 nan 0.000 0.461 263 A N 0.612 123.363 122.820 -0.114 0.000 2.308 263 A HA 0.190 4.510 4.320 0.000 0.000 0.217 263 A C 0.815 178.353 177.584 -0.077 0.000 1.216 263 A CA 0.539 52.474 52.037 -0.169 0.000 0.864 263 A CB -0.304 18.359 19.000 -0.562 0.000 0.902 263 A HN 0.416 nan 8.150 nan 0.000 0.499 264 R N -0.058 120.415 120.500 -0.045 0.000 2.828 264 R HA -0.150 4.190 4.340 0.000 0.000 0.233 264 R C -2.289 174.019 176.300 0.013 0.000 0.821 264 R CA 1.220 57.316 56.100 -0.007 0.000 0.563 264 R CB -2.936 27.372 30.300 0.012 0.000 1.117 264 R HN 0.507 nan 8.270 nan 0.000 0.508 265 P HA 0.137 nan 4.420 nan 0.000 0.263 265 P C 0.106 177.432 177.300 0.043 0.000 1.195 265 P CA -0.615 62.509 63.100 0.040 0.000 0.762 265 P CB 0.754 32.464 31.700 0.016 0.000 0.799 266 L N 6.104 127.363 121.223 0.060 0.000 2.385 266 L HA 0.212 4.552 4.340 0.000 0.000 0.281 266 L C -0.827 176.067 176.870 0.040 0.000 1.106 266 L CA -0.011 54.859 54.840 0.051 0.000 0.856 266 L CB 0.059 42.153 42.059 0.059 0.000 1.186 266 L HN 0.038 nan 8.230 nan 0.000 0.453 267 V N 6.140 126.045 119.914 -0.015 0.000 2.350 267 V HA 0.304 4.424 4.120 0.000 0.000 0.276 267 V C 0.281 176.250 176.094 -0.208 0.000 1.028 267 V CA -0.470 61.751 62.300 -0.130 0.000 0.860 267 V CB 1.158 32.842 31.823 -0.232 0.000 0.990 267 V HN 0.813 nan 8.190 nan 0.000 0.453 268 Q N 3.425 123.128 119.800 -0.162 0.000 2.288 268 Q HA 0.269 4.609 4.340 0.000 0.000 0.258 268 Q C -0.928 174.923 176.000 -0.249 0.000 0.957 268 Q CA -0.342 55.390 55.803 -0.118 0.000 0.919 268 Q CB 0.478 29.203 28.738 -0.022 0.000 1.185 268 Q HN 0.761 nan 8.270 nan 0.000 0.408 269 H N 3.708 122.773 119.070 -0.008 0.000 2.641 269 H HA 0.313 4.869 4.556 0.000 0.000 0.295 269 H C -0.702 174.616 175.328 -0.017 0.000 1.070 269 H CA -0.283 55.753 56.048 -0.020 0.000 1.257 269 H CB 0.559 30.314 29.762 -0.012 0.000 1.393 269 H HN 0.499 nan 8.280 nan 0.000 0.464 270 I N 3.740 124.345 120.570 0.059 0.000 2.310 270 I HA 0.215 4.385 4.170 0.000 0.000 0.287 270 I C 0.207 176.337 176.117 0.023 0.000 1.073 270 I CA 0.138 61.462 61.300 0.039 0.000 1.216 270 I CB 0.609 38.621 38.000 0.020 0.000 1.415 270 I HN 0.552 nan 8.210 nan 0.000 0.480 271 T N 3.431 117.995 114.554 0.017 0.000 2.731 271 T HA 0.297 4.647 4.350 0.000 0.000 0.300 271 T C -0.010 174.651 174.700 -0.066 0.000 1.283 271 T CA -0.556 61.514 62.100 -0.050 0.000 1.005 271 T CB 1.179 70.027 68.868 -0.034 0.000 1.420 271 T HN 0.556 nan 8.240 nan 0.000 0.503 272 N N -0.143 118.460 118.700 -0.161 0.000 2.116 272 N HA 0.087 4.827 4.740 0.000 0.000 0.207 272 N C 1.461 176.974 175.510 0.005 0.000 1.370 272 N CA 1.200 54.188 53.050 -0.103 0.000 0.849 272 N CB 0.071 38.442 38.487 -0.192 0.000 0.996 272 N HN 0.679 nan 8.380 nan 0.000 0.421 273 K N -0.362 120.066 120.400 0.047 0.000 2.313 273 K HA 0.074 4.394 4.320 0.000 0.000 0.197 273 K C 1.772 178.426 176.600 0.090 0.000 1.061 273 K CA 1.147 57.468 56.287 0.056 0.000 0.980 273 K CB -0.835 31.688 32.500 0.039 0.000 0.888 273 K HN 0.461 nan 8.250 nan 0.000 0.502 274 V N -1.004 118.997 119.914 0.146 0.000 2.591 274 V HA -0.085 4.035 4.120 0.000 0.000 0.249 274 V C 2.066 178.254 176.094 0.157 0.000 1.053 274 V CA 1.337 63.718 62.300 0.135 0.000 1.068 274 V CB -1.205 30.690 31.823 0.120 0.000 0.689 274 V HN 0.694 nan 8.190 nan 0.000 0.462 275 H N -0.173 118.918 119.070 0.034 0.000 2.548 275 H HA 0.049 4.605 4.556 0.000 0.000 0.268 275 H C 2.172 177.491 175.328 -0.015 0.000 0.975 275 H CA 0.929 57.002 56.048 0.042 0.000 1.195 275 H CB 0.558 30.323 29.762 0.007 0.000 1.397 275 H HN 0.516 nan 8.280 nan 0.000 0.572 276 Q N 1.498 121.363 119.800 0.109 0.000 1.858 276 Q HA -0.155 4.185 4.340 0.000 0.000 0.224 276 Q C 2.259 178.246 176.000 -0.022 0.000 0.980 276 Q CA 1.512 57.319 55.803 0.006 0.000 0.868 276 Q CB 0.048 28.801 28.738 0.025 0.000 0.920 276 Q HN 0.175 nan 8.270 nan 0.000 0.427 277 N N -0.426 118.292 118.700 0.030 0.000 2.091 277 N HA -0.214 4.526 4.740 0.000 0.000 0.193 277 N C 1.484 177.039 175.510 0.076 0.000 1.021 277 N CA 1.557 54.630 53.050 0.039 0.000 0.862 277 N CB -0.420 38.099 38.487 0.053 0.000 1.018 277 N HN 0.320 nan 8.380 nan 0.000 0.429 278 F N 0.557 120.471 119.950 -0.059 0.000 2.146 278 F HA 0.138 4.665 4.527 0.000 0.000 0.298 278 F C 2.207 177.958 175.800 -0.082 0.000 1.096 278 F CA 1.604 59.568 58.000 -0.061 0.000 1.275 278 F CB -0.902 38.063 39.000 -0.057 0.000 1.008 278 F HN 0.086 nan 8.300 nan 0.000 0.480 279 G N -0.671 107.978 108.800 -0.251 0.000 2.484 279 G HA2 -0.069 3.891 3.960 0.000 0.000 0.218 279 G HA3 -0.069 3.891 3.960 0.000 0.000 0.218 279 G C 1.777 176.410 174.900 -0.445 0.000 1.130 279 G CA 0.606 45.448 45.100 -0.430 0.000 0.784 279 G HN 0.580 nan 8.290 nan 0.000 0.543 280 A N 1.152 123.786 122.820 -0.310 0.000 1.930 280 A HA -0.009 4.312 4.320 0.000 0.000 0.217 280 A C 2.142 179.664 177.584 -0.104 0.000 1.175 280 A CA 1.713 53.648 52.037 -0.170 0.000 0.627 280 A CB -0.348 18.602 19.000 -0.082 0.000 0.815 280 A HN 0.449 nan 8.150 nan 0.000 0.443 281 N N -0.326 118.289 118.700 -0.140 0.000 2.220 281 N HA -0.042 4.698 4.740 0.000 0.000 0.182 281 N C 1.398 176.827 175.510 -0.135 0.000 1.023 281 N CA 1.117 54.104 53.050 -0.103 0.000 0.856 281 N CB -0.199 38.252 38.487 -0.060 0.000 0.997 281 N HN 0.152 nan 8.380 nan 0.000 0.429 282 V N 0.849 120.596 119.914 -0.279 0.000 2.527 282 V HA -0.287 3.833 4.120 0.000 0.000 0.255 282 V C 1.887 177.927 176.094 -0.090 0.000 1.081 282 V CA 1.870 64.034 62.300 -0.226 0.000 1.092 282 V CB -0.867 30.751 31.823 -0.342 0.000 0.673 282 V HN 0.459 nan 8.190 nan 0.000 0.470 283 T N -0.528 113.994 114.554 -0.054 0.000 2.901 283 T HA 0.059 4.409 4.350 0.000 0.000 0.252 283 T C 1.874 176.590 174.700 0.026 0.000 1.035 283 T CA 0.526 62.639 62.100 0.021 0.000 1.142 283 T CB -0.142 68.793 68.868 0.111 0.000 0.869 283 T HN 0.120 nan 8.240 nan 0.000 0.442 284 L N 1.831 123.067 121.223 0.021 0.000 2.021 284 L HA -0.137 4.203 4.340 0.000 0.000 0.215 284 L C 2.939 179.852 176.870 0.070 0.000 1.074 284 L CA 2.142 57.005 54.840 0.038 0.000 0.760 284 L CB -1.804 40.270 42.059 0.024 0.000 0.889 284 L HN 0.255 nan 8.230 nan 0.000 0.433 285 A N -0.229 122.632 122.820 0.069 0.000 1.869 285 A HA -0.226 4.094 4.320 0.000 0.000 0.218 285 A C 2.079 179.721 177.584 0.097 0.000 1.203 285 A CA 1.795 53.918 52.037 0.142 0.000 0.638 285 A CB -0.985 18.066 19.000 0.084 0.000 0.831 285 A HN 0.451 nan 8.150 nan 0.000 0.450 286 L N -0.228 121.016 121.223 0.035 0.000 2.737 286 L HA 0.177 4.517 4.340 0.000 0.000 0.246 286 L C 1.371 178.242 176.870 0.001 0.000 1.153 286 L CA 0.327 55.170 54.840 0.005 0.000 0.920 286 L CB -0.973 41.086 42.059 -0.000 0.000 1.090 286 L HN 0.652 nan 8.230 nan 0.000 0.430 287 G N -0.125 108.688 108.800 0.021 0.000 2.272 287 G HA2 -0.246 3.714 3.960 0.000 0.000 0.280 287 G HA3 -0.246 3.714 3.960 0.000 0.000 0.280 287 G C 0.025 174.933 174.900 0.013 0.000 1.067 287 G CA 0.370 45.479 45.100 0.016 0.000 0.902 287 G HN 0.389 nan 8.290 nan 0.000 0.500 288 S N -1.105 114.609 115.700 0.024 0.000 2.627 288 S HA 0.835 5.305 4.470 0.000 0.000 0.283 288 S C -0.059 174.563 174.600 0.037 0.000 1.127 288 S CA -0.133 58.081 58.200 0.023 0.000 0.863 288 S CB 2.063 65.274 63.200 0.019 0.000 1.121 288 S HN 1.032 nan 8.310 nan 0.000 0.479 289 S N 2.326 118.050 115.700 0.040 0.000 2.442 289 S HA 0.671 5.141 4.470 0.000 0.000 0.297 289 S C -2.908 171.730 174.600 0.063 0.000 1.131 289 S CA -1.446 56.783 58.200 0.048 0.000 1.092 289 S CB 0.775 64.001 63.200 0.043 0.000 0.998 289 S HN 0.427 nan 8.310 nan 0.000 0.478 290 P HA 0.548 nan 4.420 nan 0.000 0.287 290 P C -1.026 176.348 177.300 0.123 0.000 1.270 290 P CA -0.774 62.418 63.100 0.153 0.000 0.844 290 P CB 0.752 32.581 31.700 0.216 0.000 1.068 291 I N 3.038 123.687 120.570 0.131 0.000 2.533 291 I HA 0.265 4.435 4.170 0.000 0.000 0.290 291 I C 0.294 176.488 176.117 0.127 0.000 1.056 291 I CA -0.860 60.500 61.300 0.101 0.000 1.057 291 I CB 2.232 40.276 38.000 0.072 0.000 1.240 291 I HN 0.259 nan 8.210 nan 0.000 0.423 292 M N 3.955 123.617 119.600 0.104 0.000 2.771 292 M HA 0.160 4.641 4.480 0.000 0.000 0.341 292 M C 0.578 176.920 176.300 0.070 0.000 1.226 292 M CA -0.198 55.162 55.300 0.101 0.000 0.955 292 M CB -0.603 32.043 32.600 0.076 0.000 1.318 292 M HN 0.472 nan 8.290 nan 0.000 0.514 293 S N 1.511 117.250 115.700 0.066 0.000 2.498 293 S HA 0.135 4.605 4.470 0.000 0.000 0.281 293 S C 0.720 175.351 174.600 0.052 0.000 1.265 293 S CA 0.190 58.423 58.200 0.055 0.000 1.071 293 S CB 0.516 63.751 63.200 0.057 0.000 0.894 293 S HN 0.515 nan 8.310 nan 0.000 0.491 294 E N 3.612 123.838 120.200 0.044 0.000 2.569 294 E HA 0.191 4.542 4.350 0.000 0.000 0.205 294 E C -0.748 175.874 176.600 0.037 0.000 1.006 294 E CA -0.208 56.217 56.400 0.041 0.000 0.985 294 E CB 0.332 30.053 29.700 0.035 0.000 1.060 294 E HN 0.562 nan 8.360 nan 0.000 0.460 295 I N 1.634 122.227 120.570 0.038 0.000 2.395 295 I HA -0.033 4.137 4.170 0.000 0.000 0.289 295 I C 1.600 177.736 176.117 0.032 0.000 1.023 295 I CA 0.114 61.432 61.300 0.031 0.000 1.350 295 I CB 1.091 39.108 38.000 0.028 0.000 1.409 295 I HN -0.028 nan 8.210 nan 0.000 0.507 296 Q N 2.823 122.636 119.800 0.023 0.000 2.016 296 Q HA -0.144 4.196 4.340 0.000 0.000 0.200 296 Q C 1.958 177.967 176.000 0.014 0.000 0.978 296 Q CA 2.147 57.960 55.803 0.017 0.000 0.833 296 Q CB -0.042 28.700 28.738 0.006 0.000 0.895 296 Q HN 0.886 nan 8.270 nan 0.000 0.427 297 S N 0.325 116.031 115.700 0.009 0.000 2.500 297 S HA -0.133 4.338 4.470 0.000 0.000 0.239 297 S C 1.487 176.091 174.600 0.007 0.000 0.989 297 S CA 1.035 59.237 58.200 0.004 0.000 0.951 297 S CB -0.041 63.160 63.200 0.002 0.000 0.759 297 S HN 0.332 nan 8.310 nan 0.000 0.523 298 E N 0.163 120.374 120.200 0.018 0.000 2.389 298 E HA 0.148 4.499 4.350 0.000 0.000 0.199 298 E C 1.758 178.377 176.600 0.033 0.000 0.978 298 E CA 0.027 56.441 56.400 0.022 0.000 0.912 298 E CB 0.159 29.876 29.700 0.030 0.000 0.907 298 E HN 0.283 nan 8.360 nan 0.000 0.494 299 V N 1.864 121.808 119.914 0.050 0.000 2.380 299 V HA -0.270 3.850 4.120 0.000 0.000 0.251 299 V C 1.831 177.950 176.094 0.043 0.000 1.063 299 V CA 1.839 64.195 62.300 0.094 0.000 1.055 299 V CB -0.342 31.548 31.823 0.112 0.000 0.657 299 V HN 0.339 nan 8.190 nan 0.000 0.455 300 N N -0.437 118.262 118.700 -0.002 0.000 2.463 300 N HA -0.075 4.666 4.740 0.000 0.000 0.181 300 N C 1.202 176.667 175.510 -0.074 0.000 1.078 300 N CA 1.058 54.077 53.050 -0.052 0.000 0.902 300 N CB -0.020 38.442 38.487 -0.041 0.000 0.970 300 N HN 0.560 nan 8.380 nan 0.000 0.451 301 D N -0.203 120.170 120.400 -0.045 0.000 2.240 301 D HA 0.005 4.646 4.640 0.000 0.000 0.206 301 D C 1.794 178.061 176.300 -0.054 0.000 0.963 301 D CA 0.176 54.149 54.000 -0.044 0.000 0.863 301 D CB 0.151 40.938 40.800 -0.021 0.000 0.973 301 D HN 0.083 nan 8.370 nan 0.000 0.501 302 L N 0.987 122.185 121.223 -0.042 0.000 2.072 302 L HA 0.073 4.413 4.340 0.000 0.000 0.205 302 L C 2.236 179.014 176.870 -0.153 0.000 1.079 302 L CA 0.989 55.812 54.840 -0.029 0.000 0.752 302 L CB -1.325 40.779 42.059 0.075 0.000 0.906 302 L HN -0.057 nan 8.230 nan 0.000 0.436 303 A N -1.007 121.591 122.820 -0.370 0.000 2.248 303 A HA 0.131 4.451 4.320 0.000 0.000 0.210 303 A C 2.307 179.684 177.584 -0.345 0.000 1.174 303 A CA 1.185 52.802 52.037 -0.701 0.000 0.750 303 A CB -0.577 17.781 19.000 -1.070 0.000 0.780 303 A HN 0.350 nan 8.150 nan 0.000 0.478 304 A N -0.137 122.561 122.820 -0.203 0.000 1.911 304 A HA 0.299 4.619 4.320 0.000 0.000 0.212 304 A C 1.018 178.540 177.584 -0.103 0.000 1.189 304 A CA -0.009 51.949 52.037 -0.133 0.000 0.639 304 A CB -0.260 18.684 19.000 -0.093 0.000 0.839 304 A HN 0.416 nan 8.150 nan 0.000 0.449 305 I N 1.654 122.175 120.570 -0.082 0.000 2.919 305 I HA -0.017 4.153 4.170 0.000 0.000 0.303 305 I C -2.095 173.991 176.117 -0.052 0.000 1.221 305 I CA -1.148 60.124 61.300 -0.047 0.000 1.444 305 I CB 0.257 38.247 38.000 -0.017 0.000 1.331 305 I HN 0.122 nan 8.210 nan 0.000 0.572 306 P HA -0.046 nan 4.420 nan 0.000 0.265 306 P C -0.149 177.154 177.300 0.005 0.000 1.187 306 P CA 0.490 63.546 63.100 -0.073 0.000 0.766 306 P CB 0.124 31.809 31.700 -0.026 0.000 0.820 307 H N -1.119 117.945 119.070 -0.011 0.000 2.845 307 H HA -0.214 4.343 4.556 0.000 0.000 0.296 307 H C 0.461 175.799 175.328 0.018 0.000 1.116 307 H CA 0.405 56.454 56.048 0.001 0.000 1.162 307 H CB -1.570 28.194 29.762 0.004 0.000 1.338 307 H HN 0.548 nan 8.280 nan 0.000 0.370 308 A N 0.713 123.589 122.820 0.093 0.000 2.407 308 A HA 0.543 4.863 4.320 0.000 0.000 0.248 308 A C 0.655 178.363 177.584 0.206 0.000 1.082 308 A CA 0.683 52.790 52.037 0.117 0.000 0.785 308 A CB 0.627 19.659 19.000 0.054 0.000 1.020 308 A HN 0.294 nan 8.150 nan 0.000 0.489 309 T N 1.423 116.118 114.554 0.234 0.000 2.916 309 T HA 0.510 4.860 4.350 0.000 0.000 0.305 309 T C -1.212 173.489 174.700 0.002 0.000 1.119 309 T CA -0.379 61.828 62.100 0.177 0.000 1.008 309 T CB 1.314 70.219 68.868 0.061 0.000 1.129 309 T HN 0.554 nan 8.240 nan 0.000 0.480 310 L N 2.550 123.648 121.223 -0.207 0.000 2.313 310 L HA 0.646 4.987 4.340 0.000 0.000 0.283 310 L C -1.208 175.528 176.870 -0.223 0.000 1.013 310 L CA -0.721 53.850 54.840 -0.448 0.000 0.816 310 L CB 1.143 42.619 42.059 -0.972 0.000 1.236 310 L HN 0.620 nan 8.230 nan 0.000 0.419 311 L N 5.616 126.709 121.223 -0.216 0.000 2.280 311 L HA 0.439 4.779 4.340 0.000 0.000 0.287 311 L C -1.217 175.612 176.870 -0.069 0.000 1.023 311 L CA -0.561 54.204 54.840 -0.125 0.000 0.819 311 L CB 1.115 43.095 42.059 -0.133 0.000 1.212 311 L HN 0.462 nan 8.230 nan 0.000 0.420 312 L N 4.506 125.707 121.223 -0.037 0.000 2.282 312 L HA 0.362 4.702 4.340 0.000 0.000 0.288 312 L C -0.484 176.335 176.870 -0.085 0.000 1.033 312 L CA -0.107 54.737 54.840 0.007 0.000 0.807 312 L CB 1.406 43.553 42.059 0.147 0.000 1.209 312 L HN 0.618 nan 8.230 nan 0.000 0.423 313 N N 1.558 120.210 118.700 -0.081 0.000 2.682 313 N HA 0.209 4.949 4.740 0.000 0.000 0.252 313 N C -0.566 174.870 175.510 -0.123 0.000 1.081 313 N CA -0.297 52.650 53.050 -0.170 0.000 0.844 313 N CB 0.860 39.234 38.487 -0.188 0.000 1.167 313 N HN 0.535 nan 8.380 nan 0.000 0.523 314 T N 1.904 116.392 114.554 -0.111 0.000 2.860 314 T HA 0.108 4.458 4.350 0.000 0.000 0.295 314 T C 0.981 175.638 174.700 -0.072 0.000 1.041 314 T CA 1.375 63.452 62.100 -0.039 0.000 1.132 314 T CB 0.006 68.848 68.868 -0.043 0.000 1.072 314 T HN 0.844 nan 8.240 nan 0.000 0.504 315 G N 2.129 110.907 108.800 -0.035 0.000 2.462 315 G HA2 -0.097 3.863 3.960 0.000 0.000 0.283 315 G HA3 -0.097 3.863 3.960 0.000 0.000 0.283 315 G C 0.320 175.186 174.900 -0.056 0.000 1.043 315 G CA 0.054 45.128 45.100 -0.043 0.000 1.300 315 G HN 1.455 nan 8.290 nan 0.000 0.518 316 S N -1.493 114.190 115.700 -0.028 0.000 3.031 316 S HA 0.416 4.886 4.470 0.000 0.000 0.253 316 S C 1.413 176.012 174.600 -0.001 0.000 0.996 316 S CA 0.767 58.952 58.200 -0.024 0.000 1.098 316 S CB 0.742 63.927 63.200 -0.026 0.000 1.042 316 S HN 1.834 nan 8.310 nan 0.000 0.593 317 V N -1.074 118.842 119.914 0.003 0.000 0.742 317 V HA -0.313 3.808 4.120 0.000 0.000 0.052 317 V C 1.348 177.454 176.094 0.020 0.000 2.606 317 V CA 1.293 63.600 62.300 0.011 0.000 3.582 317 V CB -2.601 29.228 31.823 0.010 0.000 1.239 317 V HN 1.197 nan 8.190 nan 0.000 1.110 318 A N 1.798 124.633 122.820 0.025 0.000 2.511 318 A HA 0.505 4.825 4.320 0.000 0.000 0.242 318 A C -1.498 176.112 177.584 0.043 0.000 1.069 318 A CA -0.229 51.828 52.037 0.035 0.000 0.763 318 A CB -0.237 18.787 19.000 0.041 0.000 1.001 318 A HN 0.474 nan 8.150 nan 0.000 0.498 319 P HA 0.218 nan 4.420 nan 0.000 0.271 319 P C -2.051 175.291 177.300 0.069 0.000 1.220 319 P CA -1.301 61.827 63.100 0.047 0.000 0.768 319 P CB 0.349 32.069 31.700 0.033 0.000 0.848 320 P HA -0.251 nan 4.420 nan 0.000 0.217 320 P C 1.058 178.436 177.300 0.129 0.000 1.158 320 P CA 1.684 64.884 63.100 0.167 0.000 0.887 320 P CB -0.191 31.620 31.700 0.185 0.000 0.792 321 E N -1.523 118.710 120.200 0.054 0.000 2.333 321 E HA -0.227 4.123 4.350 0.000 0.000 0.200 321 E C 1.773 178.347 176.600 -0.043 0.000 1.010 321 E CA 1.262 57.647 56.400 -0.025 0.000 0.841 321 E CB -0.537 29.153 29.700 -0.016 0.000 0.757 321 E HN 0.329 nan 8.360 nan 0.000 0.508 322 M N -0.239 119.366 119.600 0.008 0.000 2.552 322 M HA 0.066 4.546 4.480 0.000 0.000 0.264 322 M C 1.624 177.947 176.300 0.039 0.000 1.159 322 M CA 1.227 56.535 55.300 0.014 0.000 1.176 322 M CB 0.005 32.622 32.600 0.028 0.000 1.327 322 M HN -0.012 nan 8.290 nan 0.000 0.481 323 L N 0.452 121.730 121.223 0.093 0.000 1.990 323 L HA -0.231 4.110 4.340 0.000 0.000 0.213 323 L C 2.650 179.612 176.870 0.152 0.000 1.072 323 L CA 2.095 57.033 54.840 0.165 0.000 0.755 323 L CB -1.287 40.923 42.059 0.251 0.000 0.889 323 L HN 0.446 nan 8.230 nan 0.000 0.432 324 K N 0.474 120.859 120.400 -0.025 0.000 2.034 324 K HA -0.276 4.044 4.320 0.000 0.000 0.214 324 K C 2.145 178.594 176.600 -0.253 0.000 1.051 324 K CA 1.857 57.775 56.287 -0.616 0.000 0.931 324 K CB -0.206 31.468 32.500 -1.376 0.000 0.715 324 K HN 0.301 nan 8.250 nan 0.000 0.446 325 A N 0.662 123.390 122.820 -0.153 0.000 1.917 325 A HA -0.174 4.147 4.320 0.000 0.000 0.219 325 A C 2.292 179.880 177.584 0.007 0.000 1.182 325 A CA 2.236 54.229 52.037 -0.074 0.000 0.633 325 A CB -0.808 18.167 19.000 -0.041 0.000 0.819 325 A HN 0.558 nan 8.150 nan 0.000 0.448 326 A N -0.495 122.358 122.820 0.055 0.000 1.874 326 A HA 0.094 4.415 4.320 0.000 0.000 0.214 326 A C 2.105 179.796 177.584 0.178 0.000 1.189 326 A CA 1.141 53.257 52.037 0.133 0.000 0.615 326 A CB -0.567 18.492 19.000 0.098 0.000 0.830 326 A HN 0.431 nan 8.150 nan 0.000 0.443 327 I N -0.607 120.049 120.570 0.144 0.000 2.087 327 I HA -0.346 3.824 4.170 0.000 0.000 0.240 327 I C 2.714 178.907 176.117 0.127 0.000 1.054 327 I CA 2.129 63.527 61.300 0.164 0.000 1.311 327 I CB -0.253 37.876 38.000 0.214 0.000 1.024 327 I HN 0.379 nan 8.210 nan 0.000 0.402 328 R N 1.018 121.551 120.500 0.056 0.000 2.097 328 R HA -0.230 4.110 4.340 0.000 0.000 0.236 328 R C 2.338 178.673 176.300 0.058 0.000 1.135 328 R CA 2.004 58.117 56.100 0.023 0.000 0.934 328 R CB -0.657 29.615 30.300 -0.046 0.000 0.846 328 R HN 0.386 nan 8.270 nan 0.000 0.431 329 A N -0.253 122.610 122.820 0.073 0.000 1.909 329 A HA -0.274 4.046 4.320 0.000 0.000 0.221 329 A C 2.185 179.799 177.584 0.050 0.000 1.223 329 A CA 2.075 54.148 52.037 0.059 0.000 0.658 329 A CB -1.194 17.862 19.000 0.093 0.000 0.831 329 A HN 0.589 nan 8.150 nan 0.000 0.462 330 Y N -0.472 119.836 120.300 0.013 0.000 2.220 330 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 330 Y C 2.381 178.289 175.900 0.012 0.000 1.129 330 Y CA 1.484 59.594 58.100 0.017 0.000 1.161 330 Y CB -0.644 37.839 38.460 0.040 0.000 0.997 330 Y HN 0.435 nan 8.280 nan 0.000 0.522 331 N N -0.197 118.604 118.700 0.167 0.000 2.223 331 N HA -0.190 4.551 4.740 0.000 0.000 0.185 331 N C 1.132 176.683 175.510 0.068 0.000 1.016 331 N CA 1.021 54.135 53.050 0.107 0.000 0.863 331 N CB -0.072 38.475 38.487 0.099 0.000 0.983 331 N HN 0.278 nan 8.380 nan 0.000 0.429 332 D N 0.143 120.567 120.400 0.039 0.000 2.144 332 D HA -0.079 4.562 4.640 0.000 0.000 0.199 332 D C 1.230 177.524 176.300 -0.011 0.000 0.984 332 D CA 0.909 54.915 54.000 0.009 0.000 0.834 332 D CB 0.108 40.899 40.800 -0.015 0.000 0.955 332 D HN 0.106 nan 8.370 nan 0.000 0.465 333 V N 0.743 120.635 119.914 -0.037 0.000 3.342 333 V HA 0.080 4.200 4.120 0.000 0.000 0.322 333 V C 0.570 176.632 176.094 -0.053 0.000 1.370 333 V CA -0.298 61.962 62.300 -0.066 0.000 1.170 333 V CB -0.679 31.065 31.823 -0.131 0.000 1.101 333 V HN 0.135 nan 8.190 nan 0.000 0.442 334 K N 0.529 120.915 120.400 -0.023 0.000 3.003 334 K HA -0.225 4.096 4.320 0.000 0.000 0.257 334 K C 0.265 176.828 176.600 -0.062 0.000 0.958 334 K CA 0.692 56.951 56.287 -0.047 0.000 0.707 334 K CB -0.983 31.482 32.500 -0.059 0.000 1.279 334 K HN 0.524 nan 8.250 nan 0.000 0.479 335 R N 0.092 120.588 120.500 -0.007 0.000 2.596 335 R HA 0.413 4.753 4.340 0.000 0.000 0.267 335 R C -2.350 174.012 176.300 0.104 0.000 1.026 335 R CA -1.876 54.249 56.100 0.043 0.000 1.087 335 R CB 0.848 31.187 30.300 0.064 0.000 1.132 335 R HN -0.066 nan 8.270 nan 0.000 0.531 336 P HA 0.434 nan 4.420 nan 0.000 0.296 336 P C -0.602 176.762 177.300 0.107 0.000 1.301 336 P CA -0.456 62.681 63.100 0.061 0.000 0.862 336 P CB 0.983 32.696 31.700 0.020 0.000 1.046 337 I N 2.071 122.731 120.570 0.150 0.000 2.378 337 I HA 0.339 4.509 4.170 0.000 0.000 0.291 337 I C -0.332 175.901 176.117 0.193 0.000 0.992 337 I CA -1.095 60.316 61.300 0.185 0.000 1.154 337 I CB 2.058 40.302 38.000 0.407 0.000 1.315 337 I HN -0.054 nan 8.210 nan 0.000 0.448 338 V N 6.876 126.842 119.914 0.087 0.000 2.398 338 V HA 0.328 4.448 4.120 0.000 0.000 0.286 338 V C -0.803 175.297 176.094 0.010 0.000 1.026 338 V CA -0.526 61.806 62.300 0.052 0.000 0.868 338 V CB 1.570 33.392 31.823 -0.002 0.000 0.982 338 V HN 0.452 nan 8.190 nan 0.000 0.443 339 F N 5.144 124.961 119.950 -0.222 0.000 2.445 339 F HA 0.606 5.133 4.527 0.000 0.000 0.348 339 F C -0.546 175.092 175.800 -0.271 0.000 1.125 339 F CA -1.003 56.755 58.000 -0.403 0.000 0.983 339 F CB 1.400 39.830 39.000 -0.950 0.000 1.198 339 F HN 0.502 nan 8.300 nan 0.000 0.436 340 D N 8.522 128.398 120.400 -0.874 0.000 2.464 340 D HA 0.401 5.042 4.640 0.000 0.000 0.243 340 D C -2.710 173.088 176.300 -0.836 0.000 1.104 340 D CA -2.611 50.975 54.000 -0.689 0.000 0.883 340 D CB 1.700 42.305 40.800 -0.326 0.000 1.050 340 D HN 0.196 nan 8.370 nan 0.000 0.524 341 P HA 0.075 nan 4.420 nan 0.000 0.218 341 P C 0.002 177.191 177.300 -0.185 0.000 1.793 341 P CA -0.463 62.320 63.100 -0.528 0.000 0.941 341 P CB -0.117 31.428 31.700 -0.258 0.000 1.919 342 V N -1.567 118.234 119.914 -0.188 0.000 2.509 342 V HA 0.376 4.496 4.120 0.000 0.000 0.297 342 V C 1.444 177.521 176.094 -0.029 0.000 1.014 342 V CA 0.456 62.709 62.300 -0.078 0.000 1.127 342 V CB -0.759 31.025 31.823 -0.065 0.000 0.925 342 V HN 0.635 nan 8.190 nan 0.000 0.480 343 G N 2.420 111.232 108.800 0.020 0.000 2.141 343 G HA2 -0.312 3.648 3.960 0.000 0.000 0.242 343 G HA3 -0.312 3.648 3.960 0.000 0.000 0.242 343 G C -0.098 174.834 174.900 0.052 0.000 0.982 343 G CA 0.199 45.316 45.100 0.028 0.000 0.662 343 G HN 1.495 nan 8.290 nan 0.000 0.527 344 Y N 1.330 121.609 120.300 -0.035 0.000 2.712 344 Y HA 0.228 4.778 4.550 0.000 0.000 0.333 344 Y C 1.775 177.675 175.900 0.001 0.000 1.225 344 Y CA 1.809 59.901 58.100 -0.014 0.000 1.499 344 Y CB 0.613 39.064 38.460 -0.014 0.000 1.288 344 Y HN 1.518 nan 8.280 nan 0.000 0.575 345 S N 1.838 117.543 115.700 0.009 0.000 3.011 345 S HA -0.394 4.076 4.470 0.000 0.000 0.278 345 S C 1.191 175.822 174.600 0.052 0.000 1.300 345 S CA 1.219 59.475 58.200 0.093 0.000 1.248 345 S CB -2.246 61.126 63.200 0.286 0.000 1.517 345 S HN 1.403 nan 8.310 nan 0.000 0.685 346 A N 1.564 124.405 122.820 0.036 0.000 1.883 346 A HA 0.280 4.600 4.320 0.000 0.000 0.217 346 A C 1.684 179.267 177.584 -0.000 0.000 1.186 346 A CA 2.199 54.249 52.037 0.020 0.000 0.624 346 A CB -1.069 17.941 19.000 0.016 0.000 0.822 346 A HN 1.963 nan 8.150 nan 0.000 0.444 347 T N -5.754 108.786 114.554 -0.024 0.000 2.718 347 T HA 0.530 4.881 4.350 0.000 0.000 0.267 347 T C 0.545 175.218 174.700 -0.046 0.000 0.957 347 T CA -0.167 61.916 62.100 -0.029 0.000 1.025 347 T CB 1.225 70.075 68.868 -0.030 0.000 1.355 347 T HN 0.034 nan 8.240 nan 0.000 0.572 348 E N 0.017 120.193 120.200 -0.040 0.000 2.201 348 E HA 0.072 4.422 4.350 0.000 0.000 0.193 348 E C 2.214 178.777 176.600 -0.061 0.000 0.957 348 E CA 0.816 57.189 56.400 -0.046 0.000 0.858 348 E CB -0.360 29.325 29.700 -0.025 0.000 0.816 348 E HN 0.751 nan 8.360 nan 0.000 0.475 349 T N 1.133 115.657 114.554 -0.050 0.000 2.821 349 T HA -0.075 4.275 4.350 0.000 0.000 0.267 349 T C 1.975 176.630 174.700 -0.075 0.000 1.046 349 T CA 0.955 63.026 62.100 -0.048 0.000 1.139 349 T CB 0.026 68.875 68.868 -0.031 0.000 0.871 349 T HN 0.060 nan 8.240 nan 0.000 0.454 350 R N 0.079 120.522 120.500 -0.095 0.000 2.075 350 R HA 0.095 4.435 4.340 0.000 0.000 0.226 350 R C 2.432 178.582 176.300 -0.251 0.000 1.114 350 R CA 0.742 56.766 56.100 -0.128 0.000 0.972 350 R CB -0.538 29.702 30.300 -0.100 0.000 0.869 350 R HN 0.252 nan 8.270 nan 0.000 0.437 351 L N 1.268 122.291 121.223 -0.334 0.000 1.971 351 L HA -0.221 4.119 4.340 0.000 0.000 0.215 351 L C 2.016 178.684 176.870 -0.338 0.000 1.072 351 L CA 1.798 56.305 54.840 -0.555 0.000 0.758 351 L CB -0.802 41.038 42.059 -0.364 0.000 0.889 351 L HN 0.195 nan 8.230 nan 0.000 0.433 352 L N -0.660 120.456 121.223 -0.177 0.000 2.081 352 L HA -0.215 4.125 4.340 0.000 0.000 0.212 352 L C 2.500 179.316 176.870 -0.090 0.000 1.080 352 L CA 2.378 57.158 54.840 -0.099 0.000 0.754 352 L CB -0.688 41.336 42.059 -0.058 0.000 0.893 352 L HN 0.591 nan 8.230 nan 0.000 0.433 353 L N 0.244 121.408 121.223 -0.098 0.000 2.068 353 L HA -0.106 4.234 4.340 0.000 0.000 0.204 353 L C 2.192 179.018 176.870 -0.074 0.000 1.076 353 L CA 1.595 56.395 54.840 -0.067 0.000 0.753 353 L CB -1.032 41.002 42.059 -0.041 0.000 0.910 353 L HN 0.191 nan 8.230 nan 0.000 0.439 354 N N 0.805 119.464 118.700 -0.069 0.000 2.069 354 N HA -0.213 4.527 4.740 0.000 0.000 0.191 354 N C 1.628 177.142 175.510 0.008 0.000 1.031 354 N CA 2.012 55.089 53.050 0.045 0.000 0.852 354 N CB -0.738 37.830 38.487 0.136 0.000 1.018 354 N HN 0.575 nan 8.380 nan 0.000 0.423 355 N N 0.321 119.020 118.700 -0.001 0.000 2.205 355 N HA -0.151 4.589 4.740 0.000 0.000 0.186 355 N C 1.586 177.051 175.510 -0.076 0.000 1.015 355 N CA 0.462 53.528 53.050 0.027 0.000 0.862 355 N CB -0.081 38.433 38.487 0.045 0.000 0.986 355 N HN 0.064 nan 8.380 nan 0.000 0.429 356 L N 0.798 121.929 121.223 -0.155 0.000 2.005 356 L HA -0.070 4.270 4.340 0.000 0.000 0.207 356 L C 1.914 178.359 176.870 -0.707 0.000 1.072 356 L CA 1.165 55.813 54.840 -0.321 0.000 0.744 356 L CB -0.651 41.265 42.059 -0.238 0.000 0.895 356 L HN 0.150 nan 8.230 nan 0.000 0.433 357 L N -0.463 120.420 121.223 -0.566 0.000 2.064 357 L HA -0.279 4.061 4.340 0.000 0.000 0.216 357 L C 2.310 178.946 176.870 -0.389 0.000 1.077 357 L CA 1.823 56.328 54.840 -0.559 0.000 0.766 357 L CB -1.134 40.799 42.059 -0.210 0.000 0.890 357 L HN 0.281 nan 8.230 nan 0.000 0.435 358 L N -0.828 120.249 121.223 -0.243 0.000 2.622 358 L HA -0.095 4.245 4.340 0.000 0.000 0.233 358 L C 1.844 178.715 176.870 0.001 0.000 1.156 358 L CA 0.996 55.808 54.840 -0.047 0.000 0.866 358 L CB -0.565 41.454 42.059 -0.066 0.000 0.980 358 L HN 0.468 nan 8.230 nan 0.000 0.448 359 T N -5.684 108.824 114.554 -0.077 0.000 3.023 359 T HA 0.078 4.428 4.350 0.000 0.000 0.253 359 T C 1.420 176.249 174.700 0.215 0.000 1.038 359 T CA -0.062 62.110 62.100 0.121 0.000 0.962 359 T CB -0.214 68.771 68.868 0.196 0.000 1.018 359 T HN 0.201 nan 8.240 nan 0.000 0.521 360 F N 1.749 121.693 119.950 -0.010 0.000 2.456 360 F HA 0.393 4.920 4.527 0.001 0.000 0.298 360 F C 1.785 177.492 175.800 -0.155 0.000 1.104 360 F CA -0.039 57.919 58.000 -0.069 0.000 1.435 360 F CB 0.315 39.307 39.000 -0.012 0.000 1.078 360 F HN 0.516 nan 8.300 nan 0.000 0.546 361 G N -0.864 107.878 108.800 -0.097 0.000 2.500 361 G HA2 0.313 4.273 3.960 0.000 0.000 0.299 361 G HA3 0.313 4.273 3.960 0.000 0.000 0.299 361 G C -1.978 172.669 174.900 -0.421 0.000 1.242 361 G CA -0.386 44.567 45.100 -0.245 0.000 0.859 361 G HN -0.215 nan 8.290 nan 0.000 0.481 362 Q N 0.194 119.779 119.800 -0.359 0.000 2.327 362 Q HA 0.594 4.934 4.340 0.000 0.000 0.270 362 Q C -1.570 174.338 176.000 -0.153 0.000 1.022 362 Q CA -0.684 54.998 55.803 -0.203 0.000 0.773 362 Q CB 1.129 29.910 28.738 0.073 0.000 1.251 362 Q HN 0.351 nan 8.270 nan 0.000 0.457 363 F N 0.948 121.014 119.950 0.195 0.000 2.404 363 F HA 0.264 4.791 4.527 0.000 0.000 0.345 363 F C 1.712 177.723 175.800 0.352 0.000 1.110 363 F CA -0.389 57.739 58.000 0.213 0.000 1.130 363 F CB 1.390 40.454 39.000 0.106 0.000 1.129 363 F HN 0.460 nan 8.300 nan 0.000 0.500 364 S N 0.776 116.763 115.700 0.478 0.000 2.368 364 S HA -0.149 4.321 4.470 0.000 0.000 0.225 364 S C 0.342 175.129 174.600 0.312 0.000 1.030 364 S CA 0.635 59.051 58.200 0.360 0.000 0.999 364 S CB -0.017 63.271 63.200 0.146 0.000 0.844 364 S HN 0.700 nan 8.310 nan 0.000 0.459 365 C N 1.308 120.769 119.300 0.267 0.000 2.551 365 C HA 0.628 5.088 4.460 0.000 0.000 0.332 365 C C -1.047 174.043 174.990 0.168 0.000 1.139 365 C CA -1.201 57.935 59.018 0.198 0.000 1.328 365 C CB -0.158 27.657 27.740 0.126 0.000 1.903 365 C HN 0.434 nan 8.230 nan 0.000 0.459 366 I N 6.182 126.846 120.570 0.157 0.000 2.321 366 I HA 0.394 4.564 4.170 0.000 0.000 0.291 366 I C -0.067 176.063 176.117 0.022 0.000 0.998 366 I CA -0.047 61.312 61.300 0.099 0.000 1.227 366 I CB 1.051 39.127 38.000 0.126 0.000 1.368 366 I HN 0.590 nan 8.210 nan 0.000 0.466 367 K N 6.350 126.709 120.400 -0.069 0.000 2.358 367 K HA 0.774 5.094 4.320 0.000 0.000 0.260 367 K C -0.869 175.661 176.600 -0.118 0.000 0.956 367 K CA -0.350 55.892 56.287 -0.074 0.000 0.834 367 K CB 2.037 34.487 32.500 -0.083 0.000 1.102 367 K HN 0.803 nan 8.250 nan 0.000 0.431 368 G N 2.227 110.983 108.800 -0.074 0.000 2.687 368 G HA2 0.317 4.278 3.960 0.000 0.000 0.291 368 G HA3 0.317 4.278 3.960 0.000 0.000 0.291 368 G C -1.557 173.319 174.900 -0.040 0.000 1.420 368 G CA -0.972 44.083 45.100 -0.076 0.000 0.796 368 G HN 0.753 nan 8.290 nan 0.000 0.485 369 N N -1.666 117.016 118.700 -0.030 0.000 2.563 369 N HA 0.433 5.173 4.740 0.000 0.000 0.288 369 N C 1.598 177.105 175.510 -0.006 0.000 1.246 369 N CA 0.141 53.181 53.050 -0.017 0.000 0.946 369 N CB 1.058 39.538 38.487 -0.012 0.000 1.213 369 N HN 0.603 nan 8.380 nan 0.000 0.578 370 S N -0.209 115.492 115.700 0.002 0.000 2.406 370 S HA -0.328 4.142 4.470 0.000 0.000 0.242 370 S C 1.630 176.241 174.600 0.018 0.000 1.079 370 S CA 2.063 60.273 58.200 0.017 0.000 1.133 370 S CB -1.420 61.792 63.200 0.020 0.000 1.005 370 S HN 0.571 nan 8.310 nan 0.000 0.443 371 S N 2.348 118.058 115.700 0.017 0.000 2.356 371 S HA -0.116 4.355 4.470 0.000 0.000 0.223 371 S C 2.011 176.621 174.600 0.016 0.000 1.032 371 S CA 1.467 59.683 58.200 0.025 0.000 1.005 371 S CB -0.506 62.714 63.200 0.034 0.000 0.867 371 S HN 0.765 nan 8.310 nan 0.000 0.449 372 E N 1.067 121.267 120.200 -0.001 0.000 2.015 372 E HA -0.053 4.297 4.350 0.000 0.000 0.191 372 E C 2.022 178.551 176.600 -0.118 0.000 0.991 372 E CA 0.974 57.345 56.400 -0.048 0.000 0.802 372 E CB -0.262 29.415 29.700 -0.040 0.000 0.759 372 E HN 0.320 nan 8.360 nan 0.000 0.447 373 I N 1.108 121.643 120.570 -0.059 0.000 2.335 373 I HA -0.229 3.941 4.170 0.000 0.000 0.251 373 I C 2.463 178.566 176.117 -0.024 0.000 1.129 373 I CA 1.146 62.426 61.300 -0.035 0.000 1.402 373 I CB -0.683 37.330 38.000 0.021 0.000 1.069 373 I HN 0.172 nan 8.210 nan 0.000 0.424 374 L N 0.487 121.703 121.223 -0.011 0.000 2.093 374 L HA -0.099 4.241 4.340 0.000 0.000 0.208 374 L C 2.540 179.404 176.870 -0.010 0.000 1.085 374 L CA 1.456 56.300 54.840 0.007 0.000 0.755 374 L CB -0.568 41.505 42.059 0.024 0.000 0.904 374 L HN 0.246 nan 8.230 nan 0.000 0.435 375 G N -0.794 107.977 108.800 -0.049 0.000 2.408 375 G HA2 -0.165 3.795 3.960 0.000 0.000 0.215 375 G HA3 -0.165 3.795 3.960 0.000 0.000 0.215 375 G C 1.574 176.376 174.900 -0.163 0.000 1.156 375 G CA 0.232 45.303 45.100 -0.049 0.000 0.793 375 G HN 0.223 nan 8.290 nan 0.000 0.535 376 L N 0.750 121.764 121.223 -0.347 0.000 2.042 376 L HA -0.118 4.222 4.340 0.000 0.000 0.210 376 L C 3.322 180.202 176.870 0.016 0.000 1.076 376 L CA 1.128 55.816 54.840 -0.253 0.000 0.749 376 L CB -0.280 41.640 42.059 -0.232 0.000 0.893 376 L HN 0.321 nan 8.230 nan 0.000 0.432 377 A N -0.984 121.846 122.820 0.017 0.000 2.067 377 A HA -0.165 4.155 4.320 0.000 0.000 0.219 377 A C 1.127 178.738 177.584 0.044 0.000 1.158 377 A CA 1.100 53.168 52.037 0.052 0.000 0.661 377 A CB -0.177 18.852 19.000 0.048 0.000 0.801 377 A HN 0.601 nan 8.150 nan 0.000 0.452 378 E N -4.243 115.981 120.200 0.040 0.000 3.303 378 E HA -0.224 4.126 4.350 0.000 0.000 0.302 378 E C 0.123 176.749 176.600 0.043 0.000 0.902 378 E CA 0.407 56.838 56.400 0.051 0.000 1.042 378 E CB -2.982 26.751 29.700 0.054 0.000 1.528 378 E HN 0.827 nan 8.360 nan 0.000 0.424 395 N N -0.994 117.730 118.700 0.040 0.000 2.271 395 N HA 0.235 4.975 4.740 0.000 0.000 0.267 395 N C 1.220 176.758 175.510 0.046 0.000 0.987 395 N CA 1.228 54.314 53.050 0.060 0.000 0.824 395 N CB -0.049 38.432 38.487 -0.011 0.000 1.775 395 N HN 0.514 nan 8.380 nan 0.000 0.728 396 E N 0.688 120.874 120.200 -0.022 0.000 2.371 396 E HA 0.112 4.462 4.350 0.000 0.000 0.194 396 E C 1.677 178.254 176.600 -0.038 0.000 1.012 396 E CA 0.900 57.258 56.400 -0.071 0.000 0.860 396 E CB -0.549 29.108 29.700 -0.073 0.000 0.811 396 E HN 0.354 nan 8.360 nan 0.000 0.502 397 L N -0.008 121.219 121.223 0.007 0.000 2.044 397 L HA 0.058 4.398 4.340 0.000 0.000 0.205 397 L C 2.445 179.349 176.870 0.057 0.000 1.075 397 L CA 1.482 56.336 54.840 0.023 0.000 0.747 397 L CB -0.351 41.726 42.059 0.029 0.000 0.903 397 L HN 0.357 nan 8.230 nan 0.000 0.435 398 L N -0.632 120.661 121.223 0.116 0.000 2.089 398 L HA -0.311 4.030 4.340 0.000 0.000 0.213 398 L C 2.574 179.576 176.870 0.221 0.000 1.079 398 L CA 1.673 56.639 54.840 0.210 0.000 0.758 398 L CB -0.663 41.610 42.059 0.357 0.000 0.891 398 L HN 0.362 nan 8.230 nan 0.000 0.433 399 I N -0.643 119.964 120.570 0.062 0.000 2.163 399 I HA -0.321 3.849 4.170 0.000 0.000 0.240 399 I C 2.683 178.787 176.117 -0.022 0.000 1.081 399 I CA 1.445 62.673 61.300 -0.120 0.000 1.353 399 I CB -0.502 37.260 38.000 -0.396 0.000 1.054 399 I HN 0.431 nan 8.210 nan 0.000 0.407 400 Q N 1.156 120.942 119.800 -0.023 0.000 2.248 400 Q HA -0.245 4.095 4.340 0.000 0.000 0.208 400 Q C 2.131 178.147 176.000 0.026 0.000 0.984 400 Q CA 2.022 57.820 55.803 -0.008 0.000 0.875 400 Q CB 0.038 28.768 28.738 -0.013 0.000 0.910 400 Q HN 0.560 nan 8.270 nan 0.000 0.433 401 A N 0.048 122.900 122.820 0.054 0.000 1.843 401 A HA -0.104 4.216 4.320 0.000 0.000 0.213 401 A C 2.204 179.847 177.584 0.098 0.000 1.202 401 A CA 1.598 53.678 52.037 0.072 0.000 0.607 401 A CB -1.005 18.040 19.000 0.075 0.000 0.847 401 A HN 0.490 nan 8.150 nan 0.000 0.445 402 T N 0.603 115.237 114.554 0.133 0.000 2.760 402 T HA -0.218 4.132 4.350 0.000 0.000 0.269 402 T C 1.832 176.621 174.700 0.148 0.000 1.047 402 T CA 1.892 64.088 62.100 0.160 0.000 1.139 402 T CB -0.271 68.738 68.868 0.234 0.000 0.855 402 T HN 0.483 nan 8.240 nan 0.000 0.471 403 K N 0.466 120.935 120.400 0.115 0.000 2.007 403 K HA 0.103 4.423 4.320 0.000 0.000 0.206 403 K C 2.360 179.033 176.600 0.121 0.000 1.047 403 K CA 1.011 57.359 56.287 0.102 0.000 0.937 403 K CB -0.346 32.180 32.500 0.044 0.000 0.718 403 K HN 0.320 nan 8.250 nan 0.000 0.438 404 I N 1.140 121.767 120.570 0.094 0.000 2.194 404 I HA -0.315 3.855 4.170 0.000 0.000 0.246 404 I C 2.335 178.540 176.117 0.148 0.000 1.093 404 I CA 1.196 62.560 61.300 0.106 0.000 1.355 404 I CB -0.377 37.664 38.000 0.068 0.000 1.046 404 I HN -0.045 nan 8.210 nan 0.000 0.413 405 V N 0.963 120.972 119.914 0.158 0.000 2.261 405 V HA -0.310 3.810 4.120 0.000 0.000 0.246 405 V C 2.734 178.983 176.094 0.259 0.000 1.047 405 V CA 2.092 64.527 62.300 0.225 0.000 1.015 405 V CB -1.017 30.918 31.823 0.186 0.000 0.642 405 V HN 0.509 nan 8.190 nan 0.000 0.446 406 A N -0.524 122.425 122.820 0.216 0.000 1.865 406 A HA -0.290 4.030 4.320 0.000 0.000 0.217 406 A C 2.162 179.847 177.584 0.168 0.000 1.191 406 A CA 2.351 54.511 52.037 0.206 0.000 0.623 406 A CB -0.865 18.256 19.000 0.201 0.000 0.826 406 A HN 0.545 nan 8.150 nan 0.000 0.444 407 F N 0.434 120.396 119.950 0.021 0.000 2.102 407 F HA -0.183 4.344 4.527 0.001 0.000 0.298 407 F C 2.239 177.969 175.800 -0.116 0.000 1.105 407 F CA 2.352 60.325 58.000 -0.045 0.000 1.239 407 F CB -0.115 38.859 39.000 -0.045 0.000 0.991 407 F HN 0.176 nan 8.300 nan 0.000 0.474 408 K N 0.106 120.456 120.400 -0.082 0.000 2.001 408 K HA -0.241 4.079 4.320 0.000 0.000 0.214 408 K C 1.355 177.597 176.600 -0.597 0.000 1.050 408 K CA 2.249 58.302 56.287 -0.391 0.000 0.934 408 K CB -0.859 31.375 32.500 -0.443 0.000 0.718 408 K HN 0.453 nan 8.250 nan 0.000 0.443 409 Y N 1.311 121.531 120.300 -0.134 0.000 2.495 409 Y HA 0.187 4.737 4.550 0.001 0.000 0.293 409 Y C -0.400 175.370 175.900 -0.217 0.000 1.186 409 Y CA -0.457 57.566 58.100 -0.129 0.000 1.266 409 Y CB 0.234 38.702 38.460 0.013 0.000 1.101 409 Y HN -0.117 nan 8.280 nan 0.000 0.517 410 K N 1.599 121.823 120.400 -0.293 0.000 5.163 410 K HA -0.229 4.091 4.320 0.000 0.000 0.320 410 K C -0.160 176.379 176.600 -0.102 0.000 0.822 410 K CA 1.096 57.152 56.287 -0.386 0.000 0.981 410 K CB -1.261 30.623 32.500 -1.027 0.000 1.877 410 K HN 0.487 nan 8.250 nan 0.000 0.400 411 T N -1.243 113.353 114.554 0.070 0.000 2.722 411 T HA 0.302 4.652 4.350 0.000 0.000 0.314 411 T C -1.220 173.617 174.700 0.228 0.000 1.675 411 T CA -0.485 61.736 62.100 0.202 0.000 1.003 411 T CB 1.154 70.171 68.868 0.249 0.000 1.602 411 T HN 0.030 nan 8.240 nan 0.000 0.496 412 V N 2.658 122.730 119.914 0.264 0.000 2.415 412 V HA 0.591 4.711 4.120 0.000 0.000 0.267 412 V C 0.766 176.991 176.094 0.219 0.000 1.042 412 V CA -0.142 62.318 62.300 0.267 0.000 1.000 412 V CB 0.180 32.161 31.823 0.264 0.000 1.015 412 V HN 0.968 nan 8.190 nan 0.000 0.478 413 A N 5.908 128.856 122.820 0.214 0.000 2.322 413 A HA 0.681 5.001 4.320 0.000 0.000 0.327 413 A C -0.342 177.336 177.584 0.157 0.000 1.394 413 A CA -0.442 51.700 52.037 0.174 0.000 0.921 413 A CB 0.557 19.664 19.000 0.179 0.000 1.153 413 A HN 0.622 nan 8.150 nan 0.000 0.523 414 V N 1.723 121.704 119.914 0.111 0.000 2.546 414 V HA 0.358 4.478 4.120 0.000 0.000 0.284 414 V C 0.285 176.414 176.094 0.060 0.000 1.050 414 V CA -0.384 61.968 62.300 0.086 0.000 0.981 414 V CB 1.138 32.986 31.823 0.040 0.000 0.990 414 V HN 0.969 nan 8.190 nan 0.000 0.474 415 C N 5.588 124.925 119.300 0.061 0.000 2.407 415 C HA 0.622 5.082 4.460 0.000 0.000 0.328 415 C C 0.572 175.529 174.990 -0.055 0.000 1.137 415 C CA -0.451 58.579 59.018 0.020 0.000 1.390 415 C CB -0.116 27.669 27.740 0.075 0.000 1.989 415 C HN 1.037 nan 8.230 nan 0.000 0.432 416 T N 3.244 117.769 114.554 -0.049 0.000 2.901 416 T HA 0.685 5.035 4.350 0.000 0.000 0.301 416 T C 0.547 175.197 174.700 -0.083 0.000 1.012 416 T CA 0.444 62.507 62.100 -0.061 0.000 1.135 416 T CB 1.407 70.265 68.868 -0.016 0.000 0.936 416 T HN 1.558 nan 8.240 nan 0.000 0.539 417 G N 1.278 110.014 108.800 -0.106 0.000 2.650 417 G HA2 0.410 4.371 3.960 0.000 0.000 0.310 417 G HA3 0.410 4.371 3.960 0.000 0.000 0.310 417 G C 0.197 175.064 174.900 -0.056 0.000 1.270 417 G CA -0.063 44.990 45.100 -0.079 0.000 0.810 417 G HN 0.687 nan 8.290 nan 0.000 0.493 418 E N -0.694 119.504 120.200 -0.004 0.000 2.021 418 E HA -0.090 4.260 4.350 0.000 0.000 0.200 418 E C 0.082 176.611 176.600 -0.119 0.000 1.015 418 E CA 1.085 57.472 56.400 -0.021 0.000 0.824 418 E CB -0.240 29.516 29.700 0.094 0.000 0.762 418 E HN 0.256 nan 8.360 nan 0.000 0.454 419 F N 1.605 121.461 119.950 -0.157 0.000 2.438 419 F HA 0.178 4.705 4.527 0.000 0.000 0.356 419 F C -0.213 175.269 175.800 -0.530 0.000 1.099 419 F CA -0.651 57.207 58.000 -0.236 0.000 1.185 419 F CB 0.877 39.802 39.000 -0.125 0.000 1.115 419 F HN -0.057 nan 8.300 nan 0.000 0.526 420 D N 5.472 125.766 120.400 -0.178 0.000 2.428 420 D HA 0.183 4.823 4.640 0.000 0.000 0.221 420 D C -0.281 176.003 176.300 -0.025 0.000 1.123 420 D CA 0.007 53.904 54.000 -0.173 0.000 0.869 420 D CB 0.413 41.194 40.800 -0.032 0.000 1.032 420 D HN 0.225 nan 8.370 nan 0.000 0.506 421 F N 1.383 121.412 119.950 0.132 0.000 2.382 421 F HA 0.447 4.974 4.527 0.001 0.000 0.331 421 F C 1.111 176.976 175.800 0.109 0.000 1.121 421 F CA -0.801 57.273 58.000 0.123 0.000 1.183 421 F CB 1.331 40.400 39.000 0.114 0.000 1.207 421 F HN 0.020 nan 8.300 nan 0.000 0.555 422 I N 2.553 123.322 120.570 0.332 0.000 2.542 422 I HA 0.336 4.506 4.170 0.000 0.000 0.278 422 I C -0.671 175.662 176.117 0.359 0.000 1.069 422 I CA -0.535 60.917 61.300 0.253 0.000 1.100 422 I CB 1.346 39.416 38.000 0.117 0.000 1.204 422 I HN 0.629 nan 8.210 nan 0.000 0.470 423 A N 4.214 127.226 122.820 0.320 0.000 2.290 423 A HA 0.430 4.751 4.320 0.000 0.000 0.310 423 A C -0.473 177.308 177.584 0.327 0.000 1.202 423 A CA -0.401 51.816 52.037 0.299 0.000 0.837 423 A CB 0.808 19.928 19.000 0.199 0.000 1.139 423 A HN 0.667 nan 8.150 nan 0.000 0.509 424 D N 2.428 122.960 120.400 0.219 0.000 2.317 424 D HA 0.405 5.045 4.640 0.000 0.000 0.234 424 D C 0.778 177.128 176.300 0.084 0.000 1.112 424 D CA 0.267 54.334 54.000 0.111 0.000 0.840 424 D CB 1.288 41.897 40.800 -0.318 0.000 1.078 424 D HN 0.467 nan 8.370 nan 0.000 0.486 425 G N 2.066 110.955 108.800 0.147 0.000 3.377 425 G HA2 -0.068 3.892 3.960 0.000 0.000 0.257 425 G HA3 -0.068 3.892 3.960 0.000 0.000 0.257 425 G C 1.307 176.269 174.900 0.102 0.000 1.038 425 G CA 0.452 45.645 45.100 0.156 0.000 0.809 425 G HN 0.570 nan 8.290 nan 0.000 0.526 426 T N -0.514 114.119 114.554 0.132 0.000 2.821 426 T HA -0.020 4.330 4.350 0.000 0.000 0.267 426 T C 1.538 176.352 174.700 0.191 0.000 1.046 426 T CA 1.003 63.208 62.100 0.175 0.000 1.139 426 T CB -0.306 68.737 68.868 0.291 0.000 0.871 426 T HN 0.688 nan 8.240 nan 0.000 0.454 427 I N 1.821 122.480 120.570 0.147 0.000 6.214 427 I HA -0.229 3.942 4.170 0.000 0.000 0.126 427 I C 0.271 176.485 176.117 0.162 0.000 1.821 427 I CA 0.715 62.103 61.300 0.146 0.000 2.045 427 I CB -2.034 36.066 38.000 0.167 0.000 3.452 427 I HN 0.498 nan 8.210 nan 0.000 0.172 428 E N -1.354 118.933 120.200 0.144 0.000 3.370 428 E HA -0.279 4.072 4.350 0.000 0.000 0.291 428 E C 1.007 177.692 176.600 0.142 0.000 0.916 428 E CA 1.111 57.584 56.400 0.121 0.000 0.981 428 E CB -1.781 27.969 29.700 0.083 0.000 1.498 428 E HN 1.566 nan 8.360 nan 0.000 0.452 429 G N 1.039 109.958 108.800 0.198 0.000 2.324 429 G HA2 -0.322 3.638 3.960 0.000 0.000 0.292 429 G HA3 -0.322 3.638 3.960 0.000 0.000 0.292 429 G C -0.177 174.817 174.900 0.157 0.000 1.079 429 G CA 0.955 46.126 45.100 0.118 0.000 1.026 429 G HN 0.164 nan 8.290 nan 0.000 0.506 430 K N -0.036 120.522 120.400 0.263 0.000 2.323 430 K HA 0.623 4.943 4.320 0.000 0.000 0.259 430 K C -0.157 176.650 176.600 0.345 0.000 0.947 430 K CA -0.854 55.553 56.287 0.201 0.000 0.819 430 K CB 1.566 34.143 32.500 0.129 0.000 1.109 430 K HN 0.495 nan 8.250 nan 0.000 0.429 431 Y N -1.117 119.257 120.300 0.123 0.000 2.638 431 Y HA 0.735 5.286 4.550 0.001 0.000 0.339 431 Y C -0.354 175.587 175.900 0.067 0.000 1.084 431 Y CA -1.099 57.071 58.100 0.117 0.000 1.068 431 Y CB 1.560 40.099 38.460 0.131 0.000 1.294 431 Y HN 0.611 nan 8.280 nan 0.000 0.480 432 S N -0.216 115.609 115.700 0.208 0.000 2.656 432 S HA 0.418 4.888 4.470 0.000 0.000 0.265 432 S C -1.506 173.168 174.600 0.122 0.000 1.132 432 S CA -1.110 57.148 58.200 0.096 0.000 0.819 432 S CB 0.500 63.723 63.200 0.039 0.000 1.119 432 S HN 0.822 nan 8.310 nan 0.000 0.476 433 L N 1.657 122.930 121.223 0.084 0.000 2.928 433 L HA 0.599 4.940 4.340 0.000 0.000 0.236 433 L C -0.039 176.865 176.870 0.057 0.000 1.290 433 L CA 0.048 54.934 54.840 0.075 0.000 1.099 433 L CB -0.824 41.279 42.059 0.073 0.000 1.437 433 L HN 0.772 nan 8.230 nan 0.000 0.493 438 N N 1.376 120.124 118.700 0.081 0.000 2.269 438 N HA -0.131 4.609 4.740 0.000 0.000 0.199 438 N C 1.610 177.181 175.510 0.102 0.000 0.984 438 N CA 1.836 54.950 53.050 0.106 0.000 0.910 438 N CB -1.354 37.190 38.487 0.095 0.000 1.002 438 N HN 0.707 nan 8.380 nan 0.000 0.465 439 G N -0.545 108.293 108.800 0.064 0.000 3.180 439 G HA2 0.366 4.327 3.960 0.000 0.000 0.246 439 G HA3 0.366 4.327 3.960 0.000 0.000 0.246 439 G C -0.127 174.786 174.900 0.023 0.000 0.939 439 G CA 0.656 45.779 45.100 0.038 0.000 1.920 439 G HN 0.479 nan 8.290 nan 0.000 0.612 440 T N 0.187 114.758 114.554 0.030 0.000 2.985 440 T HA 0.440 4.790 4.350 0.000 0.000 0.315 440 T C 0.399 175.031 174.700 -0.113 0.000 1.001 440 T CA -0.437 61.659 62.100 -0.007 0.000 1.016 440 T CB 1.335 70.235 68.868 0.052 0.000 0.993 440 T HN 0.445 nan 8.240 nan 0.000 0.454 441 S N 2.723 118.302 115.700 -0.201 0.000 2.661 441 S HA 0.397 4.868 4.470 0.000 0.000 0.265 441 S C 1.758 175.986 174.600 -0.621 0.000 1.225 441 S CA -0.586 57.377 58.200 -0.395 0.000 0.986 441 S CB 0.406 63.461 63.200 -0.242 0.000 1.008 441 S HN 0.292 nan 8.310 nan 0.000 0.565 442 V N 2.252 121.710 119.914 -0.760 0.000 2.220 442 V HA -0.255 3.865 4.120 0.000 0.000 0.250 442 V C 2.788 178.720 176.094 -0.271 0.000 1.056 442 V CA 2.590 64.541 62.300 -0.580 0.000 1.016 442 V CB -1.613 30.010 31.823 -0.333 0.000 0.639 442 V HN 1.058 nan 8.190 nan 0.000 0.446 443 E N 0.164 120.248 120.200 -0.193 0.000 2.393 443 E HA -0.283 4.068 4.350 0.000 0.000 0.201 443 E C 1.117 177.663 176.600 -0.091 0.000 1.025 443 E CA 1.709 58.041 56.400 -0.113 0.000 0.856 443 E CB -0.351 29.293 29.700 -0.093 0.000 0.771 443 E HN 0.644 nan 8.360 nan 0.000 0.526 444 D N 1.270 121.604 120.400 -0.110 0.000 2.367 444 D HA 0.122 4.762 4.640 0.000 0.000 0.207 444 D C 1.177 177.448 176.300 -0.049 0.000 1.034 444 D CA 0.053 54.010 54.000 -0.072 0.000 0.861 444 D CB 0.002 40.757 40.800 -0.075 0.000 0.943 444 D HN 0.429 nan 8.370 nan 0.000 0.515 445 I N 0.084 120.625 120.570 -0.048 0.000 2.754 445 I HA 0.195 4.365 4.170 0.000 0.000 0.285 445 I C -2.165 173.940 176.117 -0.021 0.000 1.166 445 I CA -1.796 59.494 61.300 -0.018 0.000 1.417 445 I CB -0.033 37.988 38.000 0.034 0.000 1.382 445 I HN -0.306 nan 8.210 nan 0.000 0.588 446 P HA 0.027 nan 4.420 nan 0.000 0.264 446 P C -0.790 176.526 177.300 0.027 0.000 1.229 446 P CA -0.080 62.978 63.100 -0.070 0.000 0.780 446 P CB 0.368 31.895 31.700 -0.290 0.000 0.808 447 C N 5.612 124.981 119.300 0.115 0.000 2.340 447 C HA 0.513 4.973 4.460 0.000 0.000 0.323 447 C C 0.603 175.704 174.990 0.185 0.000 1.260 447 C CA -0.344 58.779 59.018 0.175 0.000 1.464 447 C CB 0.116 27.914 27.740 0.096 0.000 2.156 447 C HN 0.544 nan 8.230 nan 0.000 0.476 448 V N 3.807 123.870 119.914 0.248 0.000 3.438 448 V HA 1.040 5.161 4.120 0.000 0.000 0.298 448 V C 0.162 176.380 176.094 0.206 0.000 1.148 448 V CA -0.224 62.168 62.300 0.154 0.000 0.994 448 V CB 1.219 33.113 31.823 0.119 0.000 1.236 448 V HN 1.310 nan 8.190 nan 0.000 0.455 449 A N -0.614 122.334 122.820 0.213 0.000 2.594 449 A HA 0.811 5.131 4.320 0.000 0.000 0.295 449 A C -1.316 176.423 177.584 0.259 0.000 1.071 449 A CA -0.504 51.767 52.037 0.389 0.000 0.685 449 A CB 1.995 21.298 19.000 0.505 0.000 1.285 449 A HN 1.348 nan 8.150 nan 0.000 0.405 450 V N 1.959 122.014 119.914 0.236 0.000 2.447 450 V HA 0.457 4.577 4.120 0.000 0.000 0.292 450 V C -0.216 175.869 176.094 -0.014 0.000 1.021 450 V CA -0.320 62.039 62.300 0.098 0.000 0.850 450 V CB 1.434 33.294 31.823 0.062 0.000 1.005 450 V HN 0.960 nan 8.190 nan 0.000 0.426 451 E N 3.700 123.835 120.200 -0.109 0.000 2.235 451 E HA 0.820 5.170 4.350 0.000 0.000 0.265 451 E C -0.121 176.337 176.600 -0.236 0.000 0.940 451 E CA -0.244 55.914 56.400 -0.404 0.000 0.819 451 E CB 2.280 31.597 29.700 -0.639 0.000 1.206 451 E HN 0.672 nan 8.360 nan 0.000 0.409 452 A N 2.248 124.910 122.820 -0.263 0.000 2.554 452 A HA 0.502 4.822 4.320 0.000 0.000 0.266 452 A C 0.388 177.895 177.584 -0.128 0.000 0.938 452 A CA 0.514 52.464 52.037 -0.145 0.000 1.045 452 A CB 0.031 18.970 19.000 -0.102 0.000 1.198 452 A HN 0.999 nan 8.150 nan 0.000 0.528 453 G N 0.430 109.129 108.800 -0.168 0.000 2.660 453 G HA2 0.021 3.982 3.960 0.000 0.000 0.247 453 G HA3 0.021 3.982 3.960 0.000 0.000 0.247 453 G C -3.114 171.726 174.900 -0.099 0.000 1.328 453 G CA -0.296 44.742 45.100 -0.104 0.000 0.884 453 G HN 0.546 nan 8.290 nan 0.000 0.531 454 P HA 0.615 nan 4.420 nan 0.000 0.291 454 P C 0.561 177.828 177.300 -0.056 0.000 1.340 454 P CA 0.617 63.687 63.100 -0.050 0.000 0.799 454 P CB 0.395 32.078 31.700 -0.027 0.000 0.917 466 C N 1.095 120.424 119.300 0.048 0.000 2.576 466 C HA 0.412 4.873 4.460 0.000 0.000 0.267 466 C C 2.421 177.362 174.990 -0.082 0.000 1.364 466 C CA 1.135 60.163 59.018 0.016 0.000 1.723 466 C CB -1.237 26.617 27.740 0.190 0.000 1.778 466 C HN 0.269 nan 8.230 nan 0.000 0.572 467 S N 0.844 116.477 115.700 -0.113 0.000 2.555 467 S HA -0.060 4.411 4.470 0.000 0.000 0.230 467 S C 1.491 175.736 174.600 -0.591 0.000 0.978 467 S CA 0.737 58.780 58.200 -0.261 0.000 0.934 467 S CB -0.285 62.858 63.200 -0.095 0.000 0.766 467 S HN 0.700 nan 8.310 nan 0.000 0.533 468 L N 2.503 123.216 121.223 -0.849 0.000 2.005 468 L HA 0.109 4.449 4.340 0.000 0.000 0.207 468 L C 2.289 178.945 176.870 -0.355 0.000 1.072 468 L CA 2.019 56.358 54.840 -0.835 0.000 0.744 468 L CB -1.509 40.169 42.059 -0.635 0.000 0.895 468 L HN 0.277 nan 8.230 nan 0.000 0.433 469 G N -1.388 107.276 108.800 -0.227 0.000 2.476 469 G HA2 -0.315 3.646 3.960 0.000 0.000 0.218 469 G HA3 -0.315 3.646 3.960 0.000 0.000 0.218 469 G C 1.657 176.506 174.900 -0.086 0.000 1.164 469 G CA 1.071 46.097 45.100 -0.123 0.000 0.768 469 G HN 0.471 nan 8.290 nan 0.000 0.560 470 S N -0.214 115.439 115.700 -0.078 0.000 2.382 470 S HA -0.091 4.379 4.470 0.000 0.000 0.228 470 S C 2.564 177.138 174.600 -0.043 0.000 1.027 470 S CA 1.732 59.934 58.200 0.004 0.000 0.991 470 S CB -0.309 62.886 63.200 -0.007 0.000 0.823 470 S HN 0.492 nan 8.310 nan 0.000 0.469 471 T N 2.517 117.002 114.554 -0.114 0.000 2.698 471 T HA 0.101 4.451 4.350 0.000 0.000 0.260 471 T C 1.755 176.425 174.700 -0.050 0.000 1.044 471 T CA 0.988 63.043 62.100 -0.075 0.000 1.149 471 T CB -0.412 68.404 68.868 -0.088 0.000 0.864 471 T HN 0.301 nan 8.240 nan 0.000 0.419 472 I N 1.684 122.212 120.570 -0.071 0.000 2.229 472 I HA -0.303 3.867 4.170 0.000 0.000 0.250 472 I C 2.831 178.936 176.117 -0.019 0.000 1.096 472 I CA 1.345 62.622 61.300 -0.038 0.000 1.358 472 I CB -0.568 37.405 38.000 -0.046 0.000 1.047 472 I HN 0.225 nan 8.210 nan 0.000 0.422 473 A N -0.028 122.774 122.820 -0.029 0.000 1.873 473 A HA -0.204 4.116 4.320 0.000 0.000 0.215 473 A C 2.436 180.012 177.584 -0.014 0.000 1.186 473 A CA 1.691 53.713 52.037 -0.025 0.000 0.616 473 A CB -1.157 17.809 19.000 -0.057 0.000 0.823 473 A HN 0.541 nan 8.150 nan 0.000 0.442 474 C N -0.643 118.649 119.300 -0.014 0.000 2.410 474 C HA -0.112 4.348 4.460 0.000 0.000 0.281 474 C C 2.848 177.836 174.990 -0.003 0.000 1.318 474 C CA 1.244 60.257 59.018 -0.007 0.000 1.776 474 C CB -1.150 26.588 27.740 -0.004 0.000 1.942 474 C HN 0.543 nan 8.230 nan 0.000 0.508 475 M N 0.598 120.200 119.600 0.004 0.000 2.081 475 M HA 0.023 4.503 4.480 0.000 0.000 0.261 475 M C 2.083 178.393 176.300 0.016 0.000 1.075 475 M CA 1.529 56.837 55.300 0.013 0.000 1.133 475 M CB -1.393 31.222 32.600 0.026 0.000 1.330 475 M HN 0.280 nan 8.290 nan 0.000 0.414 476 I N -0.001 120.581 120.570 0.021 0.000 2.399 476 I HA -0.251 3.919 4.170 0.000 0.000 0.254 476 I C 2.396 178.535 176.117 0.035 0.000 1.146 476 I CA 1.284 62.602 61.300 0.029 0.000 1.412 476 I CB -1.194 36.825 38.000 0.031 0.000 1.076 476 I HN 0.360 nan 8.210 nan 0.000 0.432 477 G N 0.889 109.706 108.800 0.029 0.000 2.484 477 G HA2 -0.176 3.784 3.960 0.000 0.000 0.215 477 G HA3 -0.176 3.784 3.960 0.000 0.000 0.215 477 G C 1.694 176.615 174.900 0.034 0.000 1.219 477 G CA 0.791 45.919 45.100 0.047 0.000 0.791 477 G HN 0.475 nan 8.290 nan 0.000 0.550 478 G N -0.367 108.391 108.800 -0.071 0.000 2.509 478 G HA2 0.005 3.965 3.960 0.000 0.000 0.218 478 G HA3 0.005 3.965 3.960 0.000 0.000 0.218 478 G C 0.899 175.693 174.900 -0.176 0.000 1.124 478 G CA 0.028 44.975 45.100 -0.254 0.000 0.776 478 G HN 0.306 nan 8.290 nan 0.000 0.547 479 Q N 1.200 120.990 119.800 -0.018 0.000 2.308 479 Q HA 0.078 4.418 4.340 0.000 0.000 0.313 479 Q C -2.101 173.970 176.000 0.118 0.000 1.075 479 Q CA -0.446 55.382 55.803 0.041 0.000 0.995 479 Q CB 0.917 29.684 28.738 0.048 0.000 1.107 479 Q HN 0.250 nan 8.270 nan 0.000 0.380 480 P HA 0.172 nan 4.420 nan 0.000 0.280 480 P C 0.537 177.882 177.300 0.075 0.000 1.272 480 P CA -0.485 62.702 63.100 0.146 0.000 0.819 480 P CB 0.710 32.475 31.700 0.108 0.000 1.122 481 S N 0.001 115.730 115.700 0.048 0.000 2.400 481 S HA -0.227 4.244 4.470 0.000 0.000 0.234 481 S C 0.920 175.531 174.600 0.019 0.000 1.049 481 S CA 1.967 60.176 58.200 0.016 0.000 1.039 481 S CB -0.758 62.444 63.200 0.003 0.000 0.856 481 S HN 0.517 nan 8.310 nan 0.000 0.465 482 E N 0.619 120.836 120.200 0.029 0.000 2.444 482 E HA 0.338 4.689 4.350 0.000 0.000 0.191 482 E C 0.987 177.611 176.600 0.040 0.000 1.041 482 E CA 0.259 56.677 56.400 0.031 0.000 0.883 482 E CB -0.373 29.345 29.700 0.030 0.000 1.024 482 E HN 0.435 nan 8.360 nan 0.000 0.470 483 G N 1.098 109.924 108.800 0.044 0.000 2.418 483 G HA2 0.085 4.046 3.960 0.000 0.000 0.276 483 G HA3 0.085 4.046 3.960 0.000 0.000 0.276 483 G C -0.391 174.541 174.900 0.053 0.000 1.442 483 G CA -0.417 44.716 45.100 0.054 0.000 1.066 483 G HN 0.292 nan 8.290 nan 0.000 0.553 484 N N -2.026 116.710 118.700 0.060 0.000 2.503 484 N HA 0.228 4.968 4.740 0.000 0.000 0.287 484 N C 0.604 176.138 175.510 0.040 0.000 1.096 484 N CA -0.664 52.407 53.050 0.035 0.000 0.936 484 N CB 1.606 40.095 38.487 0.004 0.000 1.570 484 N HN 0.276 nan 8.380 nan 0.000 0.504 485 L N 3.840 125.092 121.223 0.048 0.000 1.970 485 L HA 0.058 4.398 4.340 0.000 0.000 0.212 485 L C 1.639 178.579 176.870 0.117 0.000 1.071 485 L CA 1.896 56.783 54.840 0.078 0.000 0.751 485 L CB -0.857 41.259 42.059 0.094 0.000 0.889 485 L HN 0.786 nan 8.230 nan 0.000 0.432 486 F N -0.404 119.521 119.950 -0.041 0.000 2.161 486 F HA -0.270 4.258 4.527 0.000 0.000 0.300 486 F C 2.519 178.342 175.800 0.038 0.000 1.089 486 F CA 1.941 59.926 58.000 -0.025 0.000 1.282 486 F CB -0.365 38.587 39.000 -0.081 0.000 1.010 486 F HN 0.321 nan 8.300 nan 0.000 0.485 487 H N -0.492 118.600 119.070 0.036 0.000 2.436 487 H HA 0.160 4.716 4.556 0.000 0.000 0.294 487 H C 2.370 177.658 175.328 -0.067 0.000 1.048 487 H CA 0.902 56.911 56.048 -0.066 0.000 1.353 487 H CB -1.007 28.775 29.762 0.034 0.000 1.414 487 H HN 0.355 nan 8.280 nan 0.000 0.536 488 A N 0.560 123.435 122.820 0.091 0.000 1.902 488 A HA -0.099 4.222 4.320 0.000 0.000 0.217 488 A C 2.742 180.337 177.584 0.018 0.000 1.181 488 A CA 1.565 53.637 52.037 0.057 0.000 0.623 488 A CB -0.767 18.265 19.000 0.053 0.000 0.818 488 A HN 0.231 nan 8.150 nan 0.000 0.443 489 V N -0.416 119.487 119.914 -0.018 0.000 2.379 489 V HA -0.174 3.946 4.120 0.000 0.000 0.245 489 V C 2.578 178.627 176.094 -0.077 0.000 1.044 489 V CA 1.758 64.036 62.300 -0.037 0.000 1.036 489 V CB -0.382 31.429 31.823 -0.020 0.000 0.664 489 V HN 0.379 nan 8.190 nan 0.000 0.453 490 V N 0.533 120.342 119.914 -0.175 0.000 2.343 490 V HA -0.251 3.869 4.120 0.000 0.000 0.247 490 V C 2.711 178.792 176.094 -0.021 0.000 1.051 490 V CA 1.982 64.191 62.300 -0.151 0.000 1.036 490 V CB -1.231 30.440 31.823 -0.253 0.000 0.654 490 V HN 0.552 nan 8.190 nan 0.000 0.451 491 A N 0.612 123.440 122.820 0.014 0.000 1.972 491 A HA -0.079 4.242 4.320 0.000 0.000 0.219 491 A C 2.392 180.041 177.584 0.109 0.000 1.169 491 A CA 1.939 54.030 52.037 0.089 0.000 0.635 491 A CB -1.108 17.944 19.000 0.086 0.000 0.810 491 A HN 0.532 nan 8.150 nan 0.000 0.446 492 G N -0.709 108.124 108.800 0.055 0.000 2.404 492 G HA2 -0.078 3.883 3.960 0.000 0.000 0.215 492 G HA3 -0.078 3.883 3.960 0.000 0.000 0.215 492 G C 1.478 176.409 174.900 0.052 0.000 1.174 492 G CA 1.099 46.224 45.100 0.041 0.000 0.780 492 G HN 0.298 nan 8.290 nan 0.000 0.537 493 V N 1.133 121.072 119.914 0.042 0.000 2.490 493 V HA -0.160 3.960 4.120 0.000 0.000 0.250 493 V C 2.868 179.013 176.094 0.084 0.000 1.061 493 V CA 1.674 64.013 62.300 0.064 0.000 1.064 493 V CB -0.283 31.563 31.823 0.039 0.000 0.670 493 V HN 0.359 nan 8.190 nan 0.000 0.461 494 M N -1.308 118.342 119.600 0.085 0.000 2.134 494 M HA -0.075 4.405 4.480 0.000 0.000 0.262 494 M C 2.291 178.574 176.300 -0.028 0.000 1.076 494 M CA 1.580 56.941 55.300 0.102 0.000 1.143 494 M CB -0.608 32.126 32.600 0.224 0.000 1.346 494 M HN 0.272 nan 8.290 nan 0.000 0.421 495 L N -0.379 120.799 121.223 -0.074 0.000 2.034 495 L HA -0.319 4.022 4.340 0.000 0.000 0.217 495 L C 2.633 179.314 176.870 -0.316 0.000 1.077 495 L CA 2.056 56.613 54.840 -0.472 0.000 0.769 495 L CB -0.504 41.445 42.059 -0.184 0.000 0.890 495 L HN 0.250 nan 8.230 nan 0.000 0.435 496 Y N 0.504 120.678 120.300 -0.209 0.000 2.153 496 Y HA -0.266 4.284 4.550 0.000 0.000 0.289 496 Y C 2.593 178.409 175.900 -0.140 0.000 1.127 496 Y CA 1.960 59.965 58.100 -0.157 0.000 1.131 496 Y CB -0.160 38.246 38.460 -0.089 0.000 0.995 496 Y HN 0.011 nan 8.280 nan 0.000 0.505 497 K N 0.603 120.962 120.400 -0.067 0.000 2.281 497 K HA -0.113 4.208 4.320 0.000 0.000 0.203 497 K C 1.958 178.442 176.600 -0.192 0.000 1.046 497 K CA 1.207 57.418 56.287 -0.126 0.000 0.938 497 K CB -0.500 31.985 32.500 -0.025 0.000 0.737 497 K HN 0.444 nan 8.250 nan 0.000 0.458 498 A N 0.103 122.773 122.820 -0.250 0.000 1.855 498 A HA 0.111 4.431 4.320 0.000 0.000 0.213 498 A C 2.264 179.646 177.584 -0.336 0.000 1.195 498 A CA 1.302 53.160 52.037 -0.299 0.000 0.610 498 A CB -0.915 17.788 19.000 -0.495 0.000 0.837 498 A HN 0.312 nan 8.150 nan 0.000 0.444 499 A N -0.334 122.238 122.820 -0.413 0.000 2.186 499 A HA 0.146 4.467 4.320 0.000 0.000 0.219 499 A C 2.154 179.540 177.584 -0.330 0.000 1.159 499 A CA 1.726 53.551 52.037 -0.352 0.000 0.680 499 A CB -1.092 17.703 19.000 -0.341 0.000 0.787 499 A HN 0.659 nan 8.150 nan 0.000 0.467 500 G N -0.509 108.088 108.800 -0.338 0.000 2.404 500 G HA2 -0.014 3.946 3.960 0.000 0.000 0.214 500 G HA3 -0.014 3.946 3.960 0.000 0.000 0.214 500 G C 1.779 176.632 174.900 -0.078 0.000 1.189 500 G CA 1.742 46.707 45.100 -0.225 0.000 0.789 500 G HN 0.740 nan 8.290 nan 0.000 0.533 501 K N 0.997 121.338 120.400 -0.098 0.000 2.026 501 K HA 0.106 4.426 4.320 0.000 0.000 0.208 501 K C 2.374 178.946 176.600 -0.047 0.000 1.048 501 K CA 1.359 57.614 56.287 -0.052 0.000 0.929 501 K CB -0.827 31.640 32.500 -0.056 0.000 0.713 501 K HN 0.398 nan 8.250 nan 0.000 0.439 502 I N 0.675 121.191 120.570 -0.090 0.000 2.118 502 I HA -0.294 3.876 4.170 0.000 0.000 0.241 502 I C 3.001 179.070 176.117 -0.080 0.000 1.070 502 I CA 1.544 62.794 61.300 -0.084 0.000 1.327 502 I CB -0.403 37.529 38.000 -0.113 0.000 1.034 502 I HN 0.443 nan 8.210 nan 0.000 0.405 503 A N -0.451 122.287 122.820 -0.137 0.000 1.929 503 A HA -0.188 4.132 4.320 0.000 0.000 0.216 503 A C 2.410 180.017 177.584 0.038 0.000 1.176 503 A CA 1.733 53.659 52.037 -0.186 0.000 0.628 503 A CB -0.667 18.006 19.000 -0.543 0.000 0.816 503 A HN 0.388 nan 8.150 nan 0.000 0.444 504 S N -0.705 115.109 115.700 0.190 0.000 2.528 504 S HA -0.131 4.339 4.470 0.000 0.000 0.244 504 S C 1.383 176.050 174.600 0.112 0.000 0.982 504 S CA 1.574 59.935 58.200 0.268 0.000 0.953 504 S CB -0.289 63.003 63.200 0.153 0.000 0.754 504 S HN 0.685 nan 8.310 nan 0.000 0.529 505 E N -0.873 119.362 120.200 0.058 0.000 2.508 505 E HA 0.168 4.518 4.350 0.000 0.000 0.217 505 E C 0.964 177.573 176.600 0.015 0.000 0.896 505 E CA -0.013 56.402 56.400 0.026 0.000 1.118 505 E CB 0.376 30.081 29.700 0.008 0.000 1.133 505 E HN 0.361 nan 8.360 nan 0.000 0.526 506 K N 1.082 121.487 120.400 0.007 0.000 2.410 506 K HA 0.136 4.456 4.320 0.000 0.000 0.200 506 K C 0.529 177.132 176.600 0.003 0.000 1.023 506 K CA -0.101 56.183 56.287 -0.005 0.000 1.149 506 K CB 0.216 32.701 32.500 -0.025 0.000 0.859 506 K HN 0.140 nan 8.250 nan 0.000 0.514 507 C N -1.120 118.200 119.300 0.032 0.000 2.423 507 C HA 0.487 4.947 4.460 0.000 0.000 0.378 507 C C 0.570 175.581 174.990 0.035 0.000 1.244 507 C CA -0.948 58.099 59.018 0.048 0.000 1.978 507 C CB 0.940 28.760 27.740 0.134 0.000 2.252 507 C HN 0.257 nan 8.230 nan 0.000 0.526 508 N N 0.227 118.945 118.700 0.030 0.000 2.299 508 N HA 0.443 5.183 4.740 0.000 0.000 0.246 508 N C 0.191 175.707 175.510 0.010 0.000 1.254 508 N CA 0.829 53.888 53.050 0.014 0.000 0.879 508 N CB 1.212 39.701 38.487 0.004 0.000 1.214 508 N HN 1.309 nan 8.380 nan 0.000 0.510 509 G N 0.032 108.846 108.800 0.023 0.000 2.326 509 G HA2 -0.119 3.841 3.960 0.000 0.000 0.413 509 G HA3 -0.119 3.841 3.960 0.000 0.000 0.413 509 G C 0.597 175.513 174.900 0.028 0.000 1.444 509 G CA -0.077 45.025 45.100 0.005 0.000 1.002 509 G HN -0.005 nan 8.290 nan 0.000 0.649 510 S N -0.876 114.816 115.700 -0.014 0.000 2.428 510 S HA -0.100 4.370 4.470 0.000 0.000 0.240 510 S C 2.428 177.047 174.600 0.032 0.000 1.036 510 S CA 2.531 60.722 58.200 -0.014 0.000 1.009 510 S CB -0.635 62.527 63.200 -0.064 0.000 0.803 510 S HN 2.083 nan 8.310 nan 0.000 0.486 511 G N 2.153 110.959 108.800 0.009 0.000 2.556 511 G HA2 -0.151 3.810 3.960 0.000 0.000 0.215 511 G HA3 -0.151 3.810 3.960 0.000 0.000 0.215 511 G C 1.767 176.670 174.900 0.005 0.000 1.258 511 G CA 1.401 46.496 45.100 -0.008 0.000 0.811 511 G HN 0.849 nan 8.290 nan 0.000 0.557 512 S N 0.303 116.012 115.700 0.015 0.000 2.442 512 S HA -0.101 4.369 4.470 0.000 0.000 0.236 512 S C 2.085 176.691 174.600 0.010 0.000 1.007 512 S CA 1.300 59.502 58.200 0.003 0.000 0.965 512 S CB -0.532 62.669 63.200 0.002 0.000 0.773 512 S HN 0.338 nan 8.310 nan 0.000 0.504 513 F N 2.073 121.985 119.950 -0.064 0.000 2.236 513 F HA -0.129 4.398 4.527 0.000 0.000 0.302 513 F C 2.451 178.214 175.800 -0.062 0.000 1.073 513 F CA 1.840 59.801 58.000 -0.066 0.000 1.336 513 F CB -0.294 38.660 39.000 -0.076 0.000 1.040 513 F HN 0.296 nan 8.300 nan 0.000 0.507 514 Q N -0.700 119.039 119.800 -0.103 0.000 2.178 514 Q HA -0.079 4.261 4.340 0.000 0.000 0.195 514 Q C 2.340 178.282 176.000 -0.096 0.000 0.960 514 Q CA 1.136 56.840 55.803 -0.165 0.000 0.843 514 Q CB -0.307 28.298 28.738 -0.222 0.000 0.927 514 Q HN 0.315 nan 8.270 nan 0.000 0.487 515 V N 1.432 121.305 119.914 -0.068 0.000 2.867 515 V HA -0.171 3.950 4.120 0.000 0.000 0.260 515 V C 1.494 177.544 176.094 -0.074 0.000 1.099 515 V CA 1.605 63.884 62.300 -0.035 0.000 1.122 515 V CB -0.195 31.608 31.823 -0.033 0.000 0.708 515 V HN 0.316 nan 8.190 nan 0.000 0.490 516 E N -0.439 119.677 120.200 -0.141 0.000 2.318 516 E HA -0.006 4.345 4.350 0.000 0.000 0.193 516 E C 1.903 178.362 176.600 -0.235 0.000 0.998 516 E CA 0.822 57.120 56.400 -0.170 0.000 0.859 516 E CB 0.180 29.774 29.700 -0.177 0.000 0.812 516 E HN 0.656 nan 8.360 nan 0.000 0.492 517 L N 0.454 121.484 121.223 -0.322 0.000 2.095 517 L HA -0.013 4.327 4.340 0.000 0.000 0.204 517 L C 2.249 179.035 176.870 -0.140 0.000 1.080 517 L CA 0.725 55.364 54.840 -0.335 0.000 0.759 517 L CB -0.092 41.703 42.059 -0.441 0.000 0.914 517 L HN 0.007 nan 8.230 nan 0.000 0.439 518 I N 0.209 120.758 120.570 -0.034 0.000 2.264 518 I HA -0.327 3.844 4.170 0.000 0.000 0.248 518 I C 1.967 178.077 176.117 -0.012 0.000 1.111 518 I CA 1.311 62.604 61.300 -0.011 0.000 1.382 518 I CB -0.410 37.608 38.000 0.029 0.000 1.060 518 I HN 0.363 nan 8.210 nan 0.000 0.418 519 D N 0.849 121.226 120.400 -0.038 0.000 2.084 519 D HA -0.102 4.538 4.640 0.000 0.000 0.196 519 D C 2.291 178.598 176.300 0.011 0.000 0.985 519 D CA 1.554 55.547 54.000 -0.012 0.000 0.826 519 D CB -0.226 40.547 40.800 -0.046 0.000 0.978 519 D HN 0.288 nan 8.370 nan 0.000 0.456 520 A N 0.663 123.444 122.820 -0.065 0.000 1.986 520 A HA -0.181 4.140 4.320 0.000 0.000 0.220 520 A C 2.396 179.918 177.584 -0.104 0.000 1.171 520 A CA 1.093 53.072 52.037 -0.097 0.000 0.640 520 A CB -0.791 18.107 19.000 -0.170 0.000 0.811 520 A HN 0.251 nan 8.150 nan 0.000 0.451 521 L N -2.585 118.589 121.223 -0.082 0.000 2.056 521 L HA -0.156 4.184 4.340 0.000 0.000 0.207 521 L C 2.523 179.390 176.870 -0.006 0.000 1.078 521 L CA 1.678 56.475 54.840 -0.071 0.000 0.749 521 L CB -0.584 41.451 42.059 -0.040 0.000 0.901 521 L HN 0.590 nan 8.230 nan 0.000 0.433 522 Y N 1.070 121.331 120.300 -0.064 0.000 2.049 522 Y HA -0.309 4.241 4.550 0.000 0.000 0.277 522 Y C 2.815 178.702 175.900 -0.021 0.000 1.143 522 Y CA 1.731 59.809 58.100 -0.037 0.000 1.115 522 Y CB -0.183 38.257 38.460 -0.033 0.000 0.975 522 Y HN -0.063 nan 8.280 nan 0.000 0.487 523 R N -0.631 119.948 120.500 0.132 0.000 2.105 523 R HA -0.170 4.170 4.340 0.000 0.000 0.239 523 R C 2.036 178.328 176.300 -0.012 0.000 1.135 523 R CA 1.405 57.535 56.100 0.050 0.000 0.967 523 R CB -0.578 29.784 30.300 0.104 0.000 0.861 523 R HN 0.297 nan 8.270 nan 0.000 0.442 524 L N 0.572 121.782 121.223 -0.021 0.000 2.275 524 L HA -0.105 4.235 4.340 0.000 0.000 0.215 524 L C 2.118 179.067 176.870 0.132 0.000 1.119 524 L CA 1.970 56.826 54.840 0.026 0.000 0.790 524 L CB -0.593 41.342 42.059 -0.207 0.000 0.919 524 L HN 0.348 nan 8.230 nan 0.000 0.443 525 T N -6.314 108.243 114.554 0.006 0.000 3.022 525 T HA 0.067 4.417 4.350 0.000 0.000 0.250 525 T C 1.979 176.638 174.700 -0.067 0.000 1.060 525 T CA -0.141 61.971 62.100 0.020 0.000 1.013 525 T CB 0.265 69.118 68.868 -0.024 0.000 0.982 525 T HN -0.021 nan 8.240 nan 0.000 0.508 526 R N 2.610 123.016 120.500 -0.157 0.000 2.052 526 R HA 0.139 4.479 4.340 0.000 0.000 0.224 526 R C 1.261 177.525 176.300 -0.060 0.000 1.149 526 R CA 1.116 57.117 56.100 -0.164 0.000 0.962 526 R CB -0.456 29.679 30.300 -0.276 0.000 0.856 526 R HN 0.781 nan 8.270 nan 0.000 0.433 527 E N 1.708 121.897 120.200 -0.020 0.000 1.774 527 E HA -0.032 4.318 4.350 0.000 0.000 0.265 527 E C -0.528 176.096 176.600 0.040 0.000 1.207 527 E CA -0.153 56.256 56.400 0.016 0.000 1.054 527 E CB -0.379 29.343 29.700 0.038 0.000 1.074 527 E HN -0.026 nan 8.360 nan 0.000 0.433 528 N N 3.313 122.017 118.700 0.008 0.000 2.950 528 N HA -0.059 4.681 4.740 0.000 0.000 0.313 528 N C -0.724 174.742 175.510 -0.073 0.000 1.213 528 N CA 0.261 53.311 53.050 0.001 0.000 1.184 528 N CB 0.059 38.533 38.487 -0.021 0.000 1.454 528 N HN 0.558 nan 8.380 nan 0.000 0.532 529 T N -0.730 113.769 114.554 -0.092 0.000 3.514 529 T HA 0.355 4.705 4.350 0.000 0.000 0.259 529 T C -1.864 172.562 174.700 -0.457 0.000 1.466 529 T CA -1.601 60.383 62.100 -0.194 0.000 1.562 529 T CB 1.186 70.003 68.868 -0.086 0.000 0.924 529 T HN -0.041 nan 8.240 nan 0.000 0.678 530 P HA -0.142 nan 4.420 nan 0.000 0.218 530 P C 2.140 178.989 177.300 -0.751 0.000 1.150 530 P CA 1.588 63.853 63.100 -1.391 0.000 0.841 530 P CB -0.201 30.918 31.700 -0.969 0.000 0.784 531 V N -0.115 119.558 119.914 -0.402 0.000 2.313 531 V HA -0.380 3.740 4.120 0.000 0.000 0.253 531 V C 2.605 178.618 176.094 -0.135 0.000 1.070 531 V CA 3.557 65.731 62.300 -0.210 0.000 1.057 531 V CB -2.219 29.520 31.823 -0.140 0.000 0.653 531 V HN 0.344 nan 8.190 nan 0.000 0.450 532 T N -3.434 111.048 114.554 -0.119 0.000 2.777 532 T HA -0.150 4.201 4.350 0.000 0.000 0.266 532 T C 0.720 175.511 174.700 0.152 0.000 1.040 532 T CA 0.662 62.776 62.100 0.024 0.000 1.141 532 T CB -0.541 68.372 68.868 0.074 0.000 0.868 532 T HN 0.590 nan 8.240 nan 0.000 0.444 533 W N 2.246 123.533 121.300 -0.021 0.000 2.476 533 W HA 0.455 5.116 4.660 0.000 0.000 0.338 533 W C 1.686 178.191 176.519 -0.024 0.000 1.328 533 W CA -0.958 56.372 57.345 -0.025 0.000 1.300 533 W CB -1.090 28.355 29.460 -0.026 0.000 1.252 533 W HN 0.452 nan 8.180 nan 0.000 0.568 534 A N 5.506 128.432 122.820 0.178 0.000 2.084 534 A HA -0.124 4.196 4.320 0.000 0.000 0.221 534 A C -0.851 176.769 177.584 0.059 0.000 1.161 534 A CA 0.815 52.901 52.037 0.081 0.000 0.653 534 A CB -1.824 17.193 19.000 0.028 0.000 0.802 534 A HN 0.409 nan 8.150 nan 0.000 0.457 535 P HA 0.504 nan 4.420 nan 0.000 0.281 535 P C -0.728 176.608 177.300 0.060 0.000 1.249 535 P CA -0.093 63.033 63.100 0.043 0.000 0.810 535 P CB 1.063 32.784 31.700 0.036 0.000 1.008 536 K N 2.272 122.690 120.400 0.031 0.000 2.339 536 K HA 0.400 4.721 4.320 0.000 0.000 0.264 536 K C -0.807 175.826 176.600 0.055 0.000 0.986 536 K CA -0.810 55.503 56.287 0.043 0.000 0.866 536 K CB 0.614 33.137 32.500 0.038 0.000 1.103 536 K HN 0.549 nan 8.250 nan 0.000 0.441 537 L N 3.188 124.445 121.223 0.057 0.000 2.260 537 L HA 0.532 4.873 4.340 0.000 0.000 0.289 537 L C 0.389 177.289 176.870 0.050 0.000 1.057 537 L CA 0.362 55.233 54.840 0.052 0.000 0.811 537 L CB 0.927 43.002 42.059 0.028 0.000 1.184 537 L HN 0.883 nan 8.230 nan 0.000 0.429 538 T N 1.328 115.925 114.554 0.072 0.000 2.804 538 T HA 0.537 4.887 4.350 0.000 0.000 0.272 538 T C -0.294 174.404 174.700 -0.003 0.000 0.986 538 T CA -0.766 61.385 62.100 0.086 0.000 0.999 538 T CB 0.885 69.850 68.868 0.161 0.000 1.307 538 T HN 0.449 nan 8.240 nan 0.000 0.586 539 H N 0.212 119.346 119.070 0.107 0.000 2.472 539 H HA 0.605 5.161 4.556 0.001 0.000 0.338 539 H C 0.715 176.074 175.328 0.052 0.000 1.133 539 H CA -0.276 55.826 56.048 0.089 0.000 1.216 539 H CB 1.447 31.250 29.762 0.068 0.000 1.497 539 H HN 1.037 nan 8.280 nan 0.000 0.500 540 T N 0.000 114.629 114.554 0.126 0.000 3.816 540 T HA 0.000 4.350 4.350 0.000 0.000 0.228 540 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 540 T CB 0.000 68.786 68.868 -0.137 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658