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 2r6d_1_C DATA FIRST_RESID 10 DATA SEQUENCE PPQSIEAEQA VLGAVFLDPA ALVPASEILI PEDFYRAAHQ KIFHAMLRVA DATA SEQUENCE DRGEPVDLVT VTAELAASEQ LEEIGGVSYL SELADAVPTA ANVEYYARIV DATA SEQUENCE EEKSVLRRLI RTATSIAQDG YTREDEIDVL LDEADRKIME XXXXXXXXXX DATA SEQUENCE KNIKDILVQT YDNIEMLHNR DGEITGIPTG FTELDRMTSG FQRSDLIIVA DATA SEQUENCE ARPSVGKTAF ALNIAQNVAT KTNENVAIFS LEMSAQQLVM RMLCAEGNIN DATA SEQUENCE AQNLRTGKLT PEDWGKLTMA MGSLSNAGIY IDDTPSIRVS DIRAKCRRLK DATA SEQUENCE QESGLGMIVI DYLQLIQGSG RXXXXXXXEV SEISRSLKAL ARELEVPVIA DATA SEQUENCE LSQLSRSVEX XXXXRPMMSD IRESGSIEQD ADIVAFLYXX XXXXXXXXXK DATA SEQUENCE NIIEIIIAKQ RNGPVGTVQL AFIKEYNKFV NL 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.198 177.300 -0.170 0.000 1.155 10 P CA 0.000 63.023 63.100 -0.128 0.000 0.800 10 P CB 0.000 31.611 31.700 -0.149 0.000 0.726 11 P HA 0.257 nan 4.420 nan 0.000 0.267 11 P C -0.541 176.603 177.300 -0.260 0.000 1.200 11 P CA 0.471 63.468 63.100 -0.173 0.000 0.772 11 P CB 1.008 32.621 31.700 -0.145 0.000 0.855 12 Q N -0.627 119.072 119.800 -0.168 0.000 2.900 12 Q HA 0.384 4.725 4.340 0.001 0.000 0.297 12 Q C -1.882 174.079 176.000 -0.066 0.000 0.889 12 Q CA -0.888 54.833 55.803 -0.137 0.000 0.777 12 Q CB 0.293 28.995 28.738 -0.060 0.000 1.518 12 Q HN 0.267 nan 8.270 nan 0.000 0.430 13 S N 1.883 117.555 115.700 -0.047 0.000 2.317 13 S HA 0.271 4.742 4.470 0.001 0.000 0.144 13 S C 0.992 175.589 174.600 -0.004 0.000 1.660 13 S CA -0.551 57.632 58.200 -0.030 0.000 1.273 13 S CB 0.071 63.239 63.200 -0.055 0.000 1.330 13 S HN 0.562 nan 8.310 nan 0.000 0.395 14 I N 2.716 123.303 120.570 0.028 0.000 2.121 14 I HA -0.265 3.906 4.170 0.001 0.000 0.243 14 I C 2.419 178.571 176.117 0.057 0.000 1.047 14 I CA 1.992 63.311 61.300 0.031 0.000 1.308 14 I CB -1.232 36.787 38.000 0.031 0.000 1.015 14 I HN 0.695 nan 8.210 nan 0.000 0.410 15 E N 0.604 120.827 120.200 0.038 0.000 2.085 15 E HA -0.182 4.169 4.350 0.001 0.000 0.194 15 E C 2.180 178.779 176.600 -0.002 0.000 0.994 15 E CA 1.519 57.939 56.400 0.032 0.000 0.801 15 E CB -0.243 29.474 29.700 0.028 0.000 0.743 15 E HN 0.568 nan 8.360 nan 0.000 0.453 16 A N 1.407 124.214 122.820 -0.022 0.000 2.067 16 A HA -0.132 4.189 4.320 0.001 0.000 0.217 16 A C 1.910 179.424 177.584 -0.116 0.000 1.156 16 A CA 0.685 52.672 52.037 -0.083 0.000 0.683 16 A CB -0.154 18.821 19.000 -0.042 0.000 0.808 16 A HN 0.137 nan 8.150 nan 0.000 0.455 17 E N -0.010 120.177 120.200 -0.022 0.000 2.015 17 E HA -0.227 4.123 4.350 0.001 0.000 0.191 17 E C 2.138 178.882 176.600 0.240 0.000 0.991 17 E CA 1.342 57.809 56.400 0.111 0.000 0.802 17 E CB -0.295 29.611 29.700 0.342 0.000 0.759 17 E HN 0.688 nan 8.360 nan 0.000 0.447 18 Q N 0.278 120.234 119.800 0.260 0.000 2.173 18 Q HA -0.237 4.104 4.340 0.001 0.000 0.208 18 Q C 2.203 178.187 176.000 -0.026 0.000 0.989 18 Q CA 1.440 57.332 55.803 0.149 0.000 0.872 18 Q CB -0.284 28.528 28.738 0.123 0.000 0.909 18 Q HN 0.238 nan 8.270 nan 0.000 0.420 19 A N 0.400 123.125 122.820 -0.158 0.000 1.858 19 A HA -0.151 4.170 4.320 0.001 0.000 0.216 19 A C 2.366 179.784 177.584 -0.277 0.000 1.190 19 A CA 1.565 53.367 52.037 -0.391 0.000 0.617 19 A CB -0.801 17.581 19.000 -1.029 0.000 0.827 19 A HN 0.207 nan 8.150 nan 0.000 0.443 20 V N 0.483 120.293 119.914 -0.173 0.000 2.220 20 V HA -0.318 3.803 4.120 0.001 0.000 0.246 20 V C 2.569 178.678 176.094 0.025 0.000 1.049 20 V CA 2.123 64.418 62.300 -0.008 0.000 1.003 20 V CB -1.138 30.710 31.823 0.041 0.000 0.634 20 V HN 0.574 nan 8.190 nan 0.000 0.444 21 L N 0.545 121.791 121.223 0.037 0.000 1.951 21 L HA -0.214 4.127 4.340 0.001 0.000 0.222 21 L C 2.716 179.422 176.870 -0.273 0.000 1.078 21 L CA 2.272 57.028 54.840 -0.139 0.000 0.778 21 L CB -1.532 40.416 42.059 -0.184 0.000 0.893 21 L HN 0.518 nan 8.230 nan 0.000 0.436 22 G N -0.981 107.756 108.800 -0.105 0.000 2.479 22 G HA2 -0.203 3.757 3.960 0.001 0.000 0.220 22 G HA3 -0.203 3.757 3.960 0.001 0.000 0.220 22 G C 1.612 176.529 174.900 0.029 0.000 1.115 22 G CA 0.837 45.954 45.100 0.028 0.000 0.757 22 G HN 0.537 nan 8.290 nan 0.000 0.560 23 A N -0.198 122.611 122.820 -0.019 0.000 2.067 23 A HA 0.298 4.619 4.320 0.001 0.000 0.217 23 A C 2.477 180.080 177.584 0.032 0.000 1.156 23 A CA 1.259 53.315 52.037 0.032 0.000 0.683 23 A CB -0.111 18.924 19.000 0.057 0.000 0.808 23 A HN 0.222 nan 8.150 nan 0.000 0.455 24 V N -1.118 118.766 119.914 -0.049 0.000 2.283 24 V HA -0.156 3.964 4.120 0.001 0.000 0.243 24 V C 2.099 178.206 176.094 0.022 0.000 1.039 24 V CA 1.570 63.832 62.300 -0.064 0.000 1.016 24 V CB -1.038 30.677 31.823 -0.180 0.000 0.650 24 V HN 0.533 nan 8.190 nan 0.000 0.449 25 F N -0.376 119.592 119.950 0.030 0.000 2.346 25 F HA -0.124 4.403 4.527 0.001 0.000 0.301 25 F C 1.947 177.755 175.800 0.013 0.000 1.070 25 F CA 1.008 59.015 58.000 0.012 0.000 1.407 25 F CB -0.688 38.312 39.000 0.001 0.000 1.072 25 F HN 0.095 nan 8.300 nan 0.000 0.543 26 L N -1.594 119.741 121.223 0.186 0.000 2.590 26 L HA 0.030 4.371 4.340 0.001 0.000 0.227 26 L C 1.503 178.424 176.870 0.086 0.000 1.099 26 L CA 0.339 55.250 54.840 0.118 0.000 0.872 26 L CB 0.139 42.256 42.059 0.096 0.000 1.088 26 L HN -0.090 nan 8.230 nan 0.000 0.479 27 D N -0.103 120.346 120.400 0.082 0.000 2.805 27 D HA 0.068 4.709 4.640 0.001 0.000 0.271 27 D C -1.324 175.009 176.300 0.054 0.000 1.166 27 D CA 0.319 54.356 54.000 0.061 0.000 1.004 27 D CB 0.032 40.865 40.800 0.056 0.000 1.136 27 D HN 0.082 nan 8.370 nan 0.000 0.444 28 P HA 0.428 nan 4.420 nan 0.000 0.270 28 P C -0.540 176.783 177.300 0.037 0.000 1.754 28 P CA 0.095 63.226 63.100 0.052 0.000 1.202 28 P CB 0.790 32.526 31.700 0.061 0.000 1.592 29 A N 0.510 123.352 122.820 0.036 0.000 2.247 29 A HA 0.313 4.634 4.320 0.001 0.000 0.205 29 A C 1.625 179.233 177.584 0.041 0.000 1.261 29 A CA 0.796 52.852 52.037 0.032 0.000 0.853 29 A CB -0.710 18.307 19.000 0.028 0.000 0.793 29 A HN 0.284 nan 8.150 nan 0.000 0.487 30 A N -1.298 121.552 122.820 0.051 0.000 2.423 30 A HA 0.445 4.766 4.320 0.001 0.000 0.246 30 A C 1.416 179.051 177.584 0.085 0.000 1.278 30 A CA 0.253 52.333 52.037 0.071 0.000 0.903 30 A CB -0.184 18.863 19.000 0.080 0.000 0.997 30 A HN 0.512 nan 8.150 nan 0.000 0.510 31 L N -0.841 120.416 121.223 0.057 0.000 2.253 31 L HA 0.112 4.453 4.340 0.001 0.000 0.205 31 L C 2.094 179.001 176.870 0.062 0.000 1.078 31 L CA 1.496 56.366 54.840 0.051 0.000 0.805 31 L CB -0.341 41.698 42.059 -0.033 0.000 0.963 31 L HN 0.099 nan 8.230 nan 0.000 0.459 32 V N 1.220 121.160 119.914 0.044 0.000 2.252 32 V HA -0.213 3.908 4.120 0.001 0.000 0.249 32 V C -0.114 176.024 176.094 0.073 0.000 1.056 32 V CA 2.456 64.783 62.300 0.044 0.000 1.022 32 V CB -2.066 29.776 31.823 0.031 0.000 0.641 32 V HN 0.343 nan 8.190 nan 0.000 0.445 33 P HA -0.108 nan 4.420 nan 0.000 0.216 33 P C 1.715 179.093 177.300 0.130 0.000 1.153 33 P CA 1.996 65.152 63.100 0.093 0.000 0.848 33 P CB -0.190 31.562 31.700 0.088 0.000 0.787 34 A N 0.261 123.187 122.820 0.177 0.000 1.933 34 A HA -0.192 4.129 4.320 0.001 0.000 0.218 34 A C 2.334 180.118 177.584 0.333 0.000 1.175 34 A CA 2.381 54.568 52.037 0.250 0.000 0.628 34 A CB -1.674 17.542 19.000 0.360 0.000 0.814 34 A HN 0.346 nan 8.150 nan 0.000 0.444 35 S N -0.237 115.656 115.700 0.322 0.000 2.453 35 S HA -0.103 4.367 4.470 0.001 0.000 0.231 35 S C 1.456 176.163 174.600 0.178 0.000 1.005 35 S CA 1.189 59.561 58.200 0.287 0.000 0.949 35 S CB -0.307 62.959 63.200 0.111 0.000 0.774 35 S HN 0.676 nan 8.310 nan 0.000 0.510 36 E N 1.079 121.358 120.200 0.131 0.000 2.152 36 E HA 0.111 4.462 4.350 0.001 0.000 0.192 36 E C 1.314 177.965 176.600 0.086 0.000 0.983 36 E CA 1.130 57.585 56.400 0.091 0.000 0.818 36 E CB -0.163 29.580 29.700 0.071 0.000 0.758 36 E HN 0.681 nan 8.360 nan 0.000 0.467 37 I N 0.195 120.822 120.570 0.095 0.000 4.082 37 I HA 0.186 4.357 4.170 0.001 0.000 0.337 37 I C 0.151 176.292 176.117 0.039 0.000 1.352 37 I CA 0.034 61.369 61.300 0.058 0.000 1.097 37 I CB 0.403 38.431 38.000 0.047 0.000 1.048 37 I HN -0.082 nan 8.210 nan 0.000 0.393 38 L N 1.260 122.539 121.223 0.093 0.000 2.397 38 L HA 0.677 5.018 4.340 0.001 0.000 0.251 38 L C -1.115 175.886 176.870 0.218 0.000 1.064 38 L CA -1.072 53.809 54.840 0.070 0.000 0.859 38 L CB 2.912 44.905 42.059 -0.110 0.000 1.468 38 L HN -0.053 nan 8.230 nan 0.000 0.411 39 I N -3.378 117.327 120.570 0.225 0.000 2.827 39 I HA 0.420 4.591 4.170 0.001 0.000 0.298 39 I C -2.441 173.900 176.117 0.373 0.000 1.235 39 I CA -1.981 59.517 61.300 0.331 0.000 1.021 39 I CB 2.094 40.221 38.000 0.213 0.000 1.259 39 I HN 0.213 nan 8.210 nan 0.000 0.427 40 P HA -0.198 nan 4.420 nan 0.000 0.218 40 P C 0.889 178.392 177.300 0.339 0.000 1.147 40 P CA 1.564 64.937 63.100 0.455 0.000 0.827 40 P CB 0.219 32.146 31.700 0.378 0.000 0.778 41 E N -0.967 119.376 120.200 0.239 0.000 2.150 41 E HA -0.145 4.206 4.350 0.001 0.000 0.193 41 E C 1.588 178.285 176.600 0.161 0.000 0.985 41 E CA 0.924 57.426 56.400 0.170 0.000 0.814 41 E CB -0.746 29.021 29.700 0.112 0.000 0.752 41 E HN 0.287 nan 8.360 nan 0.000 0.466 42 D N -0.116 120.368 120.400 0.139 0.000 2.265 42 D HA -0.125 4.516 4.640 0.001 0.000 0.208 42 D C -0.211 176.064 176.300 -0.042 0.000 0.977 42 D CA 0.712 54.717 54.000 0.008 0.000 0.871 42 D CB -0.157 40.599 40.800 -0.075 0.000 0.925 42 D HN 0.141 nan 8.370 nan 0.000 0.485 43 F N 1.017 120.972 119.950 0.009 0.000 2.471 43 F HA 0.004 4.532 4.527 0.001 0.000 0.365 43 F C 1.390 177.260 175.800 0.116 0.000 1.095 43 F CA -0.736 57.293 58.000 0.048 0.000 1.174 43 F CB 0.476 39.523 39.000 0.077 0.000 1.105 43 F HN -0.158 nan 8.300 nan 0.000 0.535 44 Y N 4.383 124.721 120.300 0.064 0.000 2.026 44 Y HA -0.137 4.414 4.550 0.001 0.000 0.253 44 Y C 1.188 177.098 175.900 0.017 0.000 1.098 44 Y CA 1.284 59.390 58.100 0.010 0.000 1.074 44 Y CB -0.348 38.084 38.460 -0.047 0.000 0.971 44 Y HN 0.319 nan 8.280 nan 0.000 0.482 45 R N 0.816 121.222 120.500 -0.156 0.000 2.549 45 R HA 0.027 4.367 4.340 0.001 0.000 0.336 45 R C 1.418 177.666 176.300 -0.087 0.000 0.891 45 R CA 0.244 56.163 56.100 -0.302 0.000 1.102 45 R CB 0.046 30.110 30.300 -0.393 0.000 0.899 45 R HN 0.556 nan 8.270 nan 0.000 0.407 46 A N 4.329 127.092 122.820 -0.094 0.000 1.903 46 A HA -0.326 3.995 4.320 0.001 0.000 0.219 46 A C 2.299 179.883 177.584 -0.001 0.000 1.191 46 A CA 2.190 54.212 52.037 -0.023 0.000 0.638 46 A CB -0.619 18.354 19.000 -0.046 0.000 0.823 46 A HN 0.882 nan 8.150 nan 0.000 0.451 47 A N -1.188 121.615 122.820 -0.028 0.000 1.971 47 A HA -0.301 4.020 4.320 0.001 0.000 0.222 47 A C 2.008 179.628 177.584 0.060 0.000 1.182 47 A CA 2.013 54.038 52.037 -0.020 0.000 0.649 47 A CB -1.101 17.843 19.000 -0.094 0.000 0.818 47 A HN 0.818 nan 8.150 nan 0.000 0.458 48 H N -1.869 117.155 119.070 -0.077 0.000 2.307 48 H HA -0.125 4.432 4.556 0.001 0.000 0.303 48 H C 2.409 177.583 175.328 -0.257 0.000 1.073 48 H CA 1.311 57.280 56.048 -0.131 0.000 1.338 48 H CB -0.102 29.676 29.762 0.028 0.000 1.389 48 H HN 0.677 nan 8.280 nan 0.000 0.503 49 Q N 1.390 121.213 119.800 0.038 0.000 2.065 49 Q HA -0.277 4.064 4.340 0.001 0.000 0.213 49 Q C 2.087 178.097 176.000 0.016 0.000 1.012 49 Q CA 2.466 58.294 55.803 0.041 0.000 0.876 49 Q CB 0.082 28.874 28.738 0.090 0.000 0.954 49 Q HN 0.263 nan 8.270 nan 0.000 0.413 50 K N 0.020 120.424 120.400 0.006 0.000 2.000 50 K HA -0.205 4.116 4.320 0.001 0.000 0.218 50 K C 1.998 178.615 176.600 0.029 0.000 1.053 50 K CA 2.128 58.423 56.287 0.014 0.000 0.946 50 K CB -0.445 32.053 32.500 -0.004 0.000 0.723 50 K HN 0.248 nan 8.250 nan 0.000 0.446 51 I N -0.184 120.374 120.570 -0.020 0.000 2.068 51 I HA -0.331 3.840 4.170 0.001 0.000 0.238 51 I C 2.197 178.289 176.117 -0.042 0.000 1.046 51 I CA 1.560 62.846 61.300 -0.023 0.000 1.306 51 I CB -0.307 37.658 38.000 -0.058 0.000 1.023 51 I HN 0.120 nan 8.210 nan 0.000 0.399 52 F N 0.398 120.167 119.950 -0.303 0.000 2.307 52 F HA -0.260 4.268 4.527 0.002 0.000 0.301 52 F C 2.505 178.247 175.800 -0.098 0.000 1.076 52 F CA 1.672 59.499 58.000 -0.288 0.000 1.383 52 F CB -0.411 38.262 39.000 -0.544 0.000 1.055 52 F HN 0.188 nan 8.300 nan 0.000 0.526 53 H N -0.608 118.417 119.070 -0.075 0.000 2.306 53 H HA 0.009 4.566 4.556 0.001 0.000 0.307 53 H C 2.325 177.584 175.328 -0.115 0.000 1.061 53 H CA 1.169 57.168 56.048 -0.082 0.000 1.359 53 H CB -0.270 29.487 29.762 -0.008 0.000 1.407 53 H HN 0.244 nan 8.280 nan 0.000 0.517 54 A N 1.226 124.063 122.820 0.029 0.000 1.958 54 A HA -0.246 4.075 4.320 0.001 0.000 0.221 54 A C 2.588 180.113 177.584 -0.099 0.000 1.178 54 A CA 2.031 54.057 52.037 -0.017 0.000 0.642 54 A CB -0.872 18.146 19.000 0.030 0.000 0.816 54 A HN 0.525 nan 8.150 nan 0.000 0.453 55 M N -1.072 118.437 119.600 -0.152 0.000 2.086 55 M HA -0.068 4.413 4.480 0.001 0.000 0.261 55 M C 2.056 178.187 176.300 -0.282 0.000 1.067 55 M CA 1.549 56.727 55.300 -0.204 0.000 1.116 55 M CB -0.200 32.215 32.600 -0.309 0.000 1.348 55 M HN 0.461 nan 8.290 nan 0.000 0.407 56 L N -0.885 120.090 121.223 -0.412 0.000 2.093 56 L HA -0.204 4.137 4.340 0.001 0.000 0.208 56 L C 2.540 179.239 176.870 -0.287 0.000 1.085 56 L CA 1.154 55.760 54.840 -0.390 0.000 0.755 56 L CB -0.365 41.414 42.059 -0.466 0.000 0.904 56 L HN 0.287 nan 8.230 nan 0.000 0.435 57 R N -0.807 119.515 120.500 -0.296 0.000 2.120 57 R HA -0.148 4.193 4.340 0.001 0.000 0.234 57 R C 2.061 178.290 176.300 -0.120 0.000 1.123 57 R CA 1.230 57.210 56.100 -0.202 0.000 0.975 57 R CB -0.052 30.155 30.300 -0.155 0.000 0.866 57 R HN 0.178 nan 8.270 nan 0.000 0.446 58 V N 0.307 120.156 119.914 -0.109 0.000 2.548 58 V HA -0.121 4.000 4.120 0.001 0.000 0.249 58 V C 2.170 178.223 176.094 -0.068 0.000 1.055 58 V CA 1.650 63.910 62.300 -0.068 0.000 1.065 58 V CB -0.307 31.489 31.823 -0.045 0.000 0.681 58 V HN 0.471 nan 8.190 nan 0.000 0.462 59 A N -0.948 121.815 122.820 -0.094 0.000 2.172 59 A HA -0.186 4.134 4.320 0.001 0.000 0.216 59 A C 1.722 179.268 177.584 -0.064 0.000 1.154 59 A CA 1.366 53.356 52.037 -0.079 0.000 0.701 59 A CB -0.379 18.560 19.000 -0.102 0.000 0.789 59 A HN 0.504 nan 8.150 nan 0.000 0.465 60 D N -1.135 119.223 120.400 -0.069 0.000 2.325 60 D HA 0.122 4.763 4.640 0.001 0.000 0.234 60 D C 1.406 177.684 176.300 -0.036 0.000 1.122 60 D CA 0.255 54.224 54.000 -0.053 0.000 0.850 60 D CB 0.315 41.079 40.800 -0.060 0.000 0.921 60 D HN 0.398 nan 8.370 nan 0.000 0.513 61 R N -0.213 120.267 120.500 -0.032 0.000 1.835 61 R HA 0.488 4.829 4.340 0.001 0.000 0.162 61 R C 0.891 177.180 176.300 -0.017 0.000 1.911 61 R CA 0.506 56.593 56.100 -0.022 0.000 1.491 61 R CB -0.089 30.199 30.300 -0.019 0.000 1.166 61 R HN 0.056 nan 8.270 nan 0.000 0.478 62 G N 0.187 108.978 108.800 -0.015 0.000 2.539 62 G HA2 -0.051 3.910 3.960 0.001 0.000 0.686 62 G HA3 -0.051 3.910 3.960 0.001 0.000 0.686 62 G C -0.569 174.321 174.900 -0.018 0.000 1.258 62 G CA -0.083 45.008 45.100 -0.015 0.000 0.846 62 G HN 0.472 nan 8.290 nan 0.000 0.647 63 E N -1.002 119.190 120.200 -0.013 0.000 2.713 63 E HA 0.200 4.551 4.350 0.001 0.000 0.199 63 E C -1.251 175.347 176.600 -0.003 0.000 0.940 63 E CA -0.052 56.343 56.400 -0.008 0.000 1.310 63 E CB 0.314 30.008 29.700 -0.010 0.000 1.129 63 E HN 0.515 nan 8.360 nan 0.000 0.557 64 P HA 0.309 nan 4.420 nan 0.000 0.323 64 P C -0.233 177.071 177.300 0.008 0.000 1.363 64 P CA -0.236 62.866 63.100 0.002 0.000 0.851 64 P CB 0.473 32.177 31.700 0.008 0.000 2.110 65 V N 0.806 120.733 119.914 0.021 0.000 2.313 65 V HA 0.350 4.471 4.120 0.001 0.000 0.262 65 V C -0.709 175.443 176.094 0.098 0.000 1.011 65 V CA -0.602 61.723 62.300 0.043 0.000 0.858 65 V CB -0.195 31.639 31.823 0.017 0.000 1.104 65 V HN 0.610 nan 8.190 nan 0.000 0.456 66 D N 1.671 122.126 120.400 0.091 0.000 2.689 66 D HA 0.438 5.079 4.640 0.001 0.000 0.255 66 D C 1.180 177.502 176.300 0.037 0.000 1.113 66 D CA -0.851 53.206 54.000 0.095 0.000 1.115 66 D CB 1.277 42.096 40.800 0.032 0.000 1.334 66 D HN 0.053 nan 8.370 nan 0.000 0.621 67 L N -0.253 120.892 121.223 -0.131 0.000 1.956 67 L HA -0.212 4.129 4.340 0.001 0.000 0.216 67 L C 2.514 179.288 176.870 -0.160 0.000 1.073 67 L CA 1.647 56.287 54.840 -0.334 0.000 0.762 67 L CB -0.579 41.270 42.059 -0.349 0.000 0.889 67 L HN 0.298 nan 8.230 nan 0.000 0.433 68 V N -0.829 119.028 119.914 -0.095 0.000 2.231 68 V HA -0.411 3.710 4.120 0.001 0.000 0.250 68 V C 2.547 178.621 176.094 -0.033 0.000 1.058 68 V CA 2.667 64.933 62.300 -0.058 0.000 1.022 68 V CB -1.066 30.734 31.823 -0.038 0.000 0.640 68 V HN 0.556 nan 8.190 nan 0.000 0.445 69 T N -0.780 113.766 114.554 -0.014 0.000 2.803 69 T HA -0.148 4.203 4.350 0.001 0.000 0.269 69 T C 1.719 176.427 174.700 0.013 0.000 1.052 69 T CA 1.687 63.787 62.100 0.001 0.000 1.136 69 T CB -0.187 68.685 68.868 0.008 0.000 0.864 69 T HN 0.249 nan 8.240 nan 0.000 0.467 70 V N 1.711 121.645 119.914 0.033 0.000 2.407 70 V HA -0.090 4.031 4.120 0.001 0.000 0.245 70 V C 2.994 179.109 176.094 0.035 0.000 1.041 70 V CA 2.113 64.454 62.300 0.068 0.000 1.040 70 V CB -1.069 30.880 31.823 0.210 0.000 0.671 70 V HN 0.756 nan 8.190 nan 0.000 0.455 71 T N -1.056 113.497 114.554 -0.002 0.000 2.881 71 T HA -0.107 4.244 4.350 0.001 0.000 0.270 71 T C 1.845 176.542 174.700 -0.004 0.000 1.068 71 T CA 1.435 63.529 62.100 -0.009 0.000 1.131 71 T CB -0.328 68.518 68.868 -0.036 0.000 0.871 71 T HN 0.430 nan 8.240 nan 0.000 0.479 72 A N 1.716 124.533 122.820 -0.005 0.000 1.873 72 A HA -0.008 4.313 4.320 0.001 0.000 0.215 72 A C 2.311 179.896 177.584 0.003 0.000 1.186 72 A CA 1.775 53.810 52.037 -0.003 0.000 0.616 72 A CB -0.853 18.144 19.000 -0.005 0.000 0.823 72 A HN 0.534 nan 8.150 nan 0.000 0.442 73 E N -0.027 120.178 120.200 0.007 0.000 2.150 73 E HA -0.054 4.297 4.350 0.001 0.000 0.193 73 E C 1.753 178.364 176.600 0.017 0.000 0.985 73 E CA 0.848 57.254 56.400 0.009 0.000 0.814 73 E CB -0.343 29.361 29.700 0.005 0.000 0.752 73 E HN 0.597 nan 8.360 nan 0.000 0.466 74 L N -0.593 120.642 121.223 0.020 0.000 2.156 74 L HA 0.006 4.347 4.340 0.001 0.000 0.208 74 L C 2.268 179.145 176.870 0.011 0.000 1.095 74 L CA 1.019 55.872 54.840 0.021 0.000 0.770 74 L CB -0.278 41.797 42.059 0.026 0.000 0.914 74 L HN 0.166 nan 8.230 nan 0.000 0.439 75 A N -0.357 122.467 122.820 0.007 0.000 2.072 75 A HA 0.095 4.416 4.320 0.001 0.000 0.216 75 A C 2.456 180.042 177.584 0.003 0.000 1.156 75 A CA 1.003 53.041 52.037 0.003 0.000 0.701 75 A CB -0.414 18.586 19.000 -0.001 0.000 0.816 75 A HN 0.321 nan 8.150 nan 0.000 0.458 76 A N 0.392 123.215 122.820 0.006 0.000 2.019 76 A HA -0.012 4.309 4.320 0.001 0.000 0.219 76 A C 1.906 179.495 177.584 0.008 0.000 1.164 76 A CA 1.798 53.839 52.037 0.006 0.000 0.644 76 A CB -0.519 18.485 19.000 0.007 0.000 0.805 76 A HN 0.974 nan 8.150 nan 0.000 0.449 77 S N -0.352 115.355 115.700 0.011 0.000 2.624 77 S HA 0.301 4.772 4.470 0.001 0.000 0.246 77 S C 0.308 174.910 174.600 0.003 0.000 1.072 77 S CA 0.405 58.611 58.200 0.009 0.000 1.045 77 S CB -0.563 62.647 63.200 0.017 0.000 0.851 77 S HN 0.776 nan 8.310 nan 0.000 0.480 78 E N 1.143 121.344 120.200 0.002 0.000 2.499 78 E HA -0.379 3.972 4.350 0.001 0.000 0.247 78 E C 0.356 176.953 176.600 -0.005 0.000 1.257 78 E CA 1.465 57.863 56.400 -0.002 0.000 0.717 78 E CB -2.377 27.321 29.700 -0.003 0.000 1.264 78 E HN 0.970 nan 8.360 nan 0.000 0.407 79 Q N -0.289 119.509 119.800 -0.003 0.000 2.201 79 Q HA 0.383 4.724 4.340 0.001 0.000 0.236 79 Q C 1.629 177.625 176.000 -0.007 0.000 0.857 79 Q CA -0.194 55.604 55.803 -0.008 0.000 1.025 79 Q CB 0.427 29.159 28.738 -0.009 0.000 1.124 79 Q HN 0.511 nan 8.270 nan 0.000 0.473 80 L N 0.608 121.829 121.223 -0.004 0.000 1.973 80 L HA -0.095 4.246 4.340 0.001 0.000 0.208 80 L C 2.249 179.114 176.870 -0.008 0.000 1.073 80 L CA 1.503 56.342 54.840 -0.001 0.000 0.746 80 L CB -0.003 42.055 42.059 -0.001 0.000 0.891 80 L HN 0.393 nan 8.230 nan 0.000 0.433 81 E N -0.267 119.927 120.200 -0.010 0.000 2.478 81 E HA -0.239 4.112 4.350 0.001 0.000 0.198 81 E C 1.532 178.116 176.600 -0.026 0.000 1.046 81 E CA 0.398 56.790 56.400 -0.013 0.000 0.870 81 E CB 0.225 29.919 29.700 -0.010 0.000 0.818 81 E HN 0.512 nan 8.360 nan 0.000 0.527 82 E N -0.136 120.046 120.200 -0.029 0.000 2.478 82 E HA -0.020 4.331 4.350 0.001 0.000 0.194 82 E C 1.455 178.016 176.600 -0.065 0.000 1.045 82 E CA -0.108 56.268 56.400 -0.041 0.000 0.868 82 E CB 0.335 30.016 29.700 -0.032 0.000 0.885 82 E HN 0.262 nan 8.360 nan 0.000 0.505 83 I N -0.673 119.852 120.570 -0.075 0.000 3.158 83 I HA 0.067 4.238 4.170 0.001 0.000 0.224 83 I C 1.849 177.828 176.117 -0.231 0.000 1.041 83 I CA 0.896 62.113 61.300 -0.139 0.000 1.433 83 I CB -0.304 37.631 38.000 -0.108 0.000 1.288 83 I HN 0.072 nan 8.210 nan 0.000 0.424 84 G N -1.014 107.654 108.800 -0.219 0.000 2.543 84 G HA2 0.582 4.543 3.960 0.001 0.000 0.202 84 G HA3 0.582 4.543 3.960 0.001 0.000 0.202 84 G C -0.016 174.876 174.900 -0.012 0.000 1.897 84 G CA 0.497 45.521 45.100 -0.126 0.000 0.726 84 G HN 0.560 nan 8.290 nan 0.000 0.804 85 G N -1.304 107.536 108.800 0.066 0.000 3.135 85 G HA2 0.501 4.462 3.960 0.001 0.000 0.278 85 G HA3 0.501 4.462 3.960 0.001 0.000 0.278 85 G C 1.057 176.001 174.900 0.074 0.000 1.302 85 G CA 0.693 45.824 45.100 0.051 0.000 0.880 85 G HN 1.009 nan 8.290 nan 0.000 0.574 86 V N -1.245 118.691 119.914 0.037 0.000 2.490 86 V HA -0.102 4.019 4.120 0.001 0.000 0.250 86 V C 2.563 178.673 176.094 0.027 0.000 1.061 86 V CA 2.547 64.855 62.300 0.014 0.000 1.064 86 V CB -1.148 30.663 31.823 -0.019 0.000 0.670 86 V HN 0.517 nan 8.190 nan 0.000 0.461 87 S N -0.127 115.598 115.700 0.043 0.000 2.392 87 S HA -0.291 4.180 4.470 0.001 0.000 0.232 87 S C 1.789 176.432 174.600 0.071 0.000 1.041 87 S CA 2.423 60.649 58.200 0.044 0.000 1.026 87 S CB -0.724 62.507 63.200 0.052 0.000 0.845 87 S HN 0.824 nan 8.310 nan 0.000 0.465 88 Y N 1.681 121.981 120.300 -0.000 0.000 2.243 88 Y HA 0.122 4.673 4.550 0.002 0.000 0.293 88 Y C 1.942 177.855 175.900 0.021 0.000 1.124 88 Y CA 0.807 58.918 58.100 0.018 0.000 1.159 88 Y CB -0.246 38.233 38.460 0.031 0.000 1.008 88 Y HN 0.092 nan 8.280 nan 0.000 0.527 89 L N -0.749 120.588 121.223 0.190 0.000 2.079 89 L HA -0.271 4.069 4.340 0.001 0.000 0.210 89 L C 2.523 179.355 176.870 -0.064 0.000 1.081 89 L CA 1.554 56.452 54.840 0.096 0.000 0.752 89 L CB -0.641 41.403 42.059 -0.026 0.000 0.896 89 L HN 0.154 nan 8.230 nan 0.000 0.433 90 S N -0.621 115.026 115.700 -0.089 0.000 2.368 90 S HA -0.185 4.286 4.470 0.001 0.000 0.224 90 S C 1.830 176.376 174.600 -0.090 0.000 1.029 90 S CA 1.144 59.284 58.200 -0.101 0.000 0.988 90 S CB -0.148 63.006 63.200 -0.076 0.000 0.838 90 S HN 0.442 nan 8.310 nan 0.000 0.462 91 E N 0.938 121.054 120.200 -0.140 0.000 2.097 91 E HA -0.160 4.191 4.350 0.001 0.000 0.196 91 E C 2.023 178.508 176.600 -0.192 0.000 1.000 91 E CA 1.003 57.283 56.400 -0.199 0.000 0.804 91 E CB -0.352 29.150 29.700 -0.329 0.000 0.740 91 E HN 0.422 nan 8.360 nan 0.000 0.454 92 L N 0.368 121.470 121.223 -0.201 0.000 2.043 92 L HA -0.267 4.074 4.340 0.001 0.000 0.212 92 L C 2.540 179.430 176.870 0.034 0.000 1.075 92 L CA 1.365 56.165 54.840 -0.066 0.000 0.752 92 L CB -0.455 41.660 42.059 0.093 0.000 0.891 92 L HN 0.178 nan 8.230 nan 0.000 0.432 93 A N -0.844 122.029 122.820 0.089 0.000 1.874 93 A HA -0.154 4.166 4.320 0.001 0.000 0.214 93 A C 1.903 179.506 177.584 0.031 0.000 1.189 93 A CA 1.320 53.416 52.037 0.099 0.000 0.615 93 A CB -0.406 18.658 19.000 0.107 0.000 0.830 93 A HN 0.340 nan 8.150 nan 0.000 0.443 94 D N 0.201 120.599 120.400 -0.004 0.000 2.371 94 D HA 0.107 4.747 4.640 0.001 0.000 0.221 94 D C 1.739 178.030 176.300 -0.014 0.000 0.986 94 D CA 0.895 54.888 54.000 -0.012 0.000 0.899 94 D CB 0.086 40.870 40.800 -0.026 0.000 0.902 94 D HN 0.456 nan 8.370 nan 0.000 0.530 95 A N 0.757 123.564 122.820 -0.023 0.000 2.260 95 A HA 0.038 4.359 4.320 0.001 0.000 0.208 95 A C 1.009 178.594 177.584 0.001 0.000 1.588 95 A CA -0.080 51.946 52.037 -0.020 0.000 0.600 95 A CB -0.768 18.207 19.000 -0.041 0.000 1.142 95 A HN 0.013 nan 8.150 nan 0.000 0.494 96 V N 2.415 122.328 119.914 -0.002 0.000 2.644 96 V HA -0.014 4.107 4.120 0.001 0.000 0.303 96 V C -1.292 174.825 176.094 0.039 0.000 1.058 96 V CA 0.632 62.940 62.300 0.014 0.000 1.228 96 V CB 0.300 32.106 31.823 -0.028 0.000 0.861 96 V HN 0.671 nan 8.190 nan 0.000 0.484 97 P HA 0.104 nan 4.420 nan 0.000 0.252 97 P C 0.428 177.769 177.300 0.068 0.000 1.211 97 P CA 0.321 63.454 63.100 0.054 0.000 0.824 97 P CB 0.589 32.317 31.700 0.046 0.000 1.077 98 T N -0.501 114.114 114.554 0.101 0.000 2.812 98 T HA 0.678 5.029 4.350 0.001 0.000 0.282 98 T C -0.210 174.593 174.700 0.171 0.000 0.990 98 T CA -0.460 61.708 62.100 0.114 0.000 0.960 98 T CB 0.793 69.728 68.868 0.110 0.000 0.948 98 T HN -0.071 nan 8.240 nan 0.000 0.438 99 A N 3.185 126.080 122.820 0.125 0.000 2.592 99 A HA 0.686 5.007 4.320 0.001 0.000 0.290 99 A C 1.613 179.253 177.584 0.093 0.000 0.998 99 A CA 0.403 52.527 52.037 0.144 0.000 0.983 99 A CB -0.258 18.809 19.000 0.111 0.000 1.240 99 A HN 0.990 nan 8.150 nan 0.000 0.535 100 A N 0.254 123.102 122.820 0.046 0.000 2.119 100 A HA 0.031 4.352 4.320 0.001 0.000 0.216 100 A C 1.662 179.217 177.584 -0.048 0.000 1.152 100 A CA 1.170 53.206 52.037 -0.001 0.000 0.708 100 A CB -0.269 18.715 19.000 -0.026 0.000 0.805 100 A HN 0.498 nan 8.150 nan 0.000 0.460 101 N N -0.126 118.535 118.700 -0.065 0.000 2.173 101 N HA 0.072 4.813 4.740 0.001 0.000 0.195 101 N C 1.472 177.026 175.510 0.073 0.000 1.049 101 N CA 1.696 54.618 53.050 -0.214 0.000 0.977 101 N CB -0.663 37.515 38.487 -0.515 0.000 1.163 101 N HN 0.257 nan 8.380 nan 0.000 0.505 102 V N 0.167 120.344 119.914 0.438 0.000 0.417 102 V HA -0.320 3.800 4.120 0.001 0.000 0.090 102 V C 0.912 177.259 176.094 0.423 0.000 2.688 102 V CA 2.424 65.012 62.300 0.480 0.000 3.781 102 V CB -1.466 30.500 31.823 0.237 0.000 1.055 102 V HN 0.783 nan 8.190 nan 0.000 1.103 103 E N -1.090 119.298 120.200 0.314 0.000 2.411 103 E HA 0.512 4.863 4.350 0.001 0.000 0.204 103 E C 0.277 177.012 176.600 0.225 0.000 1.059 103 E CA 0.222 56.758 56.400 0.225 0.000 1.112 103 E CB 0.253 30.027 29.700 0.125 0.000 1.168 103 E HN 0.788 nan 8.360 nan 0.000 0.445 104 Y N -1.533 118.782 120.300 0.025 0.000 1.538 104 Y HA -0.029 4.522 4.550 0.001 0.000 0.132 104 Y C -0.006 175.916 175.900 0.038 0.000 1.595 104 Y CA -0.091 58.012 58.100 0.005 0.000 1.143 104 Y CB -0.038 38.340 38.460 -0.137 0.000 4.625 104 Y HN -0.009 nan 8.280 nan 0.000 0.123 105 Y N -1.174 118.752 120.300 -0.623 0.000 2.730 105 Y HA -0.562 3.989 4.550 0.001 0.000 0.479 105 Y C 1.923 177.730 175.900 -0.155 0.000 1.088 105 Y CA 1.100 59.094 58.100 -0.176 0.000 2.941 105 Y CB -1.936 36.612 38.460 0.147 0.000 1.051 105 Y HN 0.521 nan 8.280 nan 0.000 0.592 106 A N 0.177 123.065 122.820 0.113 0.000 1.841 106 A HA -0.171 4.150 4.320 0.001 0.000 0.214 106 A C 1.777 179.313 177.584 -0.079 0.000 1.195 106 A CA 2.115 54.143 52.037 -0.015 0.000 0.611 106 A CB -0.686 18.345 19.000 0.051 0.000 0.835 106 A HN 0.577 nan 8.150 nan 0.000 0.443 107 R N -0.609 119.859 120.500 -0.053 0.000 2.237 107 R HA 0.077 4.417 4.340 0.001 0.000 0.219 107 R C 1.824 178.044 176.300 -0.132 0.000 1.080 107 R CA 0.854 56.906 56.100 -0.080 0.000 0.995 107 R CB -0.361 29.912 30.300 -0.045 0.000 0.875 107 R HN 0.604 nan 8.270 nan 0.000 0.462 108 I N -0.245 120.217 120.570 -0.181 0.000 2.133 108 I HA -0.257 3.914 4.170 0.001 0.000 0.238 108 I C 1.970 177.985 176.117 -0.169 0.000 1.074 108 I CA 1.239 62.431 61.300 -0.180 0.000 1.342 108 I CB -0.223 37.661 38.000 -0.193 0.000 1.053 108 I HN -0.036 nan 8.210 nan 0.000 0.404 109 V N 0.576 120.364 119.914 -0.210 0.000 2.568 109 V HA -0.269 3.852 4.120 0.001 0.000 0.253 109 V C 2.418 178.369 176.094 -0.239 0.000 1.072 109 V CA 1.801 63.932 62.300 -0.282 0.000 1.084 109 V CB -0.804 30.713 31.823 -0.509 0.000 0.676 109 V HN 0.493 nan 8.190 nan 0.000 0.469 110 E N 0.262 120.348 120.200 -0.190 0.000 2.107 110 E HA -0.201 4.150 4.350 0.001 0.000 0.191 110 E C 2.178 178.715 176.600 -0.105 0.000 0.982 110 E CA 1.084 57.404 56.400 -0.134 0.000 0.809 110 E CB 0.089 29.732 29.700 -0.095 0.000 0.756 110 E HN 0.722 nan 8.360 nan 0.000 0.459 111 E N 0.180 120.317 120.200 -0.105 0.000 2.047 111 E HA -0.151 4.200 4.350 0.001 0.000 0.191 111 E C 2.073 178.615 176.600 -0.097 0.000 0.987 111 E CA 0.858 57.205 56.400 -0.089 0.000 0.799 111 E CB 0.146 29.794 29.700 -0.086 0.000 0.752 111 E HN 0.041 nan 8.360 nan 0.000 0.449 112 K N 0.468 120.797 120.400 -0.118 0.000 2.211 112 K HA -0.057 4.264 4.320 0.001 0.000 0.203 112 K C 2.217 178.732 176.600 -0.142 0.000 1.050 112 K CA 0.600 56.808 56.287 -0.131 0.000 0.945 112 K CB -0.393 32.022 32.500 -0.143 0.000 0.732 112 K HN -0.009 nan 8.250 nan 0.000 0.451 113 S N 1.018 116.640 115.700 -0.131 0.000 2.343 113 S HA -0.118 4.353 4.470 0.001 0.000 0.219 113 S C 2.143 176.693 174.600 -0.084 0.000 1.033 113 S CA 1.431 59.568 58.200 -0.106 0.000 1.014 113 S CB -0.292 62.857 63.200 -0.085 0.000 0.915 113 S HN 0.019 nan 8.310 nan 0.000 0.435 114 V N 2.192 122.063 119.914 -0.071 0.000 2.252 114 V HA -0.217 3.904 4.120 0.001 0.000 0.249 114 V C 2.549 178.609 176.094 -0.056 0.000 1.056 114 V CA 2.234 64.502 62.300 -0.053 0.000 1.022 114 V CB -0.881 30.914 31.823 -0.046 0.000 0.641 114 V HN 0.465 nan 8.190 nan 0.000 0.445 115 L N -0.555 120.627 121.223 -0.068 0.000 1.978 115 L HA -0.249 4.092 4.340 0.001 0.000 0.218 115 L C 2.728 179.552 176.870 -0.076 0.000 1.075 115 L CA 1.942 56.740 54.840 -0.069 0.000 0.767 115 L CB -0.574 41.438 42.059 -0.079 0.000 0.890 115 L HN 0.189 nan 8.230 nan 0.000 0.434 116 R N -0.920 119.518 120.500 -0.104 0.000 2.332 116 R HA -0.212 4.129 4.340 0.001 0.000 0.239 116 R C 2.192 178.448 176.300 -0.072 0.000 1.160 116 R CA 1.111 57.142 56.100 -0.115 0.000 1.020 116 R CB -0.263 29.936 30.300 -0.169 0.000 0.859 116 R HN 0.402 nan 8.270 nan 0.000 0.478 117 R N -0.555 119.913 120.500 -0.054 0.000 2.142 117 R HA 0.030 4.371 4.340 0.001 0.000 0.204 117 R C 2.050 178.333 176.300 -0.027 0.000 1.059 117 R CA -0.001 56.079 56.100 -0.033 0.000 1.055 117 R CB -0.011 30.274 30.300 -0.025 0.000 0.976 117 R HN 0.017 nan 8.270 nan 0.000 0.483 118 L N 1.653 122.857 121.223 -0.031 0.000 1.989 118 L HA -0.178 4.163 4.340 0.001 0.000 0.211 118 L C 1.990 178.846 176.870 -0.023 0.000 1.071 118 L CA 1.785 56.610 54.840 -0.025 0.000 0.749 118 L CB -0.440 41.602 42.059 -0.028 0.000 0.890 118 L HN 0.192 nan 8.230 nan 0.000 0.431 119 I N -0.950 119.601 120.570 -0.032 0.000 2.113 119 I HA -0.403 3.767 4.170 0.001 0.000 0.242 119 I C 2.743 178.847 176.117 -0.021 0.000 1.064 119 I CA 1.873 63.155 61.300 -0.029 0.000 1.320 119 I CB -0.484 37.490 38.000 -0.043 0.000 1.028 119 I HN 0.331 nan 8.210 nan 0.000 0.406 120 R N 0.875 121.361 120.500 -0.023 0.000 2.082 120 R HA -0.200 4.141 4.340 0.001 0.000 0.234 120 R C 2.410 178.706 176.300 -0.006 0.000 1.136 120 R CA 2.566 58.658 56.100 -0.014 0.000 0.935 120 R CB -0.517 29.775 30.300 -0.013 0.000 0.842 120 R HN 0.513 nan 8.270 nan 0.000 0.430 121 T N -1.843 112.708 114.554 -0.006 0.000 2.962 121 T HA 0.065 4.416 4.350 0.001 0.000 0.270 121 T C 1.894 176.595 174.700 0.003 0.000 1.088 121 T CA 0.853 62.953 62.100 -0.000 0.000 1.127 121 T CB -0.114 68.753 68.868 -0.001 0.000 0.883 121 T HN 0.365 nan 8.240 nan 0.000 0.493 122 A N 2.021 124.841 122.820 -0.000 0.000 1.874 122 A HA 0.040 4.360 4.320 0.001 0.000 0.214 122 A C 2.601 180.192 177.584 0.012 0.000 1.189 122 A CA 1.678 53.717 52.037 0.004 0.000 0.615 122 A CB -1.259 17.740 19.000 -0.001 0.000 0.830 122 A HN 0.523 nan 8.150 nan 0.000 0.443 123 T N -0.398 114.160 114.554 0.007 0.000 2.915 123 T HA -0.099 4.252 4.350 0.001 0.000 0.269 123 T C 2.128 176.838 174.700 0.018 0.000 1.071 123 T CA 1.507 63.613 62.100 0.010 0.000 1.132 123 T CB -0.242 68.624 68.868 -0.002 0.000 0.878 123 T HN 0.460 nan 8.240 nan 0.000 0.479 124 S N 0.673 116.382 115.700 0.015 0.000 2.387 124 S HA 0.031 4.502 4.470 0.001 0.000 0.226 124 S C 1.996 176.615 174.600 0.033 0.000 1.026 124 S CA 0.494 58.706 58.200 0.020 0.000 0.972 124 S CB -0.420 62.788 63.200 0.013 0.000 0.814 124 S HN 0.471 nan 8.310 nan 0.000 0.477 125 I N 1.513 122.101 120.570 0.030 0.000 2.286 125 I HA -0.145 4.025 4.170 0.001 0.000 0.248 125 I C 2.731 178.883 176.117 0.058 0.000 1.115 125 I CA 0.988 62.308 61.300 0.034 0.000 1.392 125 I CB -0.505 37.508 38.000 0.022 0.000 1.065 125 I HN 0.374 nan 8.210 nan 0.000 0.418 126 A N 0.438 123.300 122.820 0.071 0.000 1.841 126 A HA -0.327 3.994 4.320 0.001 0.000 0.216 126 A C 2.225 179.939 177.584 0.218 0.000 1.199 126 A CA 2.160 54.276 52.037 0.131 0.000 0.621 126 A CB -0.913 18.152 19.000 0.108 0.000 0.835 126 A HN 0.419 nan 8.150 nan 0.000 0.445 127 Q N 0.112 119.990 119.800 0.129 0.000 2.173 127 Q HA -0.259 4.082 4.340 0.001 0.000 0.208 127 Q C 1.271 177.380 176.000 0.183 0.000 0.989 127 Q CA 2.545 58.412 55.803 0.107 0.000 0.872 127 Q CB -0.621 28.132 28.738 0.025 0.000 0.909 127 Q HN 0.648 nan 8.270 nan 0.000 0.420 128 D N -1.180 119.297 120.400 0.128 0.000 2.219 128 D HA -0.024 4.617 4.640 0.001 0.000 0.205 128 D C 1.524 177.881 176.300 0.096 0.000 0.970 128 D CA 1.262 55.319 54.000 0.095 0.000 0.851 128 D CB -0.550 40.281 40.800 0.052 0.000 0.943 128 D HN 0.504 nan 8.370 nan 0.000 0.488 129 G N -1.074 107.788 108.800 0.104 0.000 2.535 129 G HA2 -0.235 3.726 3.960 0.001 0.000 0.218 129 G HA3 -0.235 3.726 3.960 0.001 0.000 0.218 129 G C 0.826 175.619 174.900 -0.179 0.000 1.122 129 G CA 0.575 45.642 45.100 -0.055 0.000 0.769 129 G HN 0.309 nan 8.290 nan 0.000 0.549 130 Y N 0.251 120.550 120.300 -0.002 0.000 2.558 130 Y HA 0.073 4.624 4.550 0.001 0.000 0.273 130 Y C 3.071 178.970 175.900 -0.001 0.000 1.100 130 Y CA 0.970 59.069 58.100 -0.002 0.000 1.276 130 Y CB -0.321 38.138 38.460 -0.002 0.000 1.196 130 Y HN 0.214 nan 8.280 nan 0.000 0.527 131 T N -0.773 113.874 114.554 0.156 0.000 2.735 131 T HA 0.026 4.377 4.350 0.001 0.000 0.256 131 T C 1.052 175.780 174.700 0.046 0.000 1.042 131 T CA 0.299 62.449 62.100 0.084 0.000 1.147 131 T CB -0.390 68.517 68.868 0.065 0.000 0.865 131 T HN -0.011 nan 8.240 nan 0.000 0.421 132 R N 1.300 121.820 120.500 0.034 0.000 2.679 132 R HA 0.531 4.872 4.340 0.001 0.000 0.269 132 R C 0.392 176.690 176.300 -0.003 0.000 1.076 132 R CA 0.069 56.177 56.100 0.013 0.000 1.160 132 R CB 0.322 30.627 30.300 0.008 0.000 1.054 132 R HN 0.500 nan 8.270 nan 0.000 0.507 133 E N -0.514 119.681 120.200 -0.008 0.000 2.108 133 E HA -0.011 4.340 4.350 0.001 0.000 0.135 133 E C -1.087 175.505 176.600 -0.015 0.000 0.799 133 E CA 0.018 56.407 56.400 -0.019 0.000 1.327 133 E CB 0.268 29.955 29.700 -0.021 0.000 1.948 133 E HN 0.712 nan 8.360 nan 0.000 0.575 134 D N -0.633 119.761 120.400 -0.009 0.000 5.162 134 D HA -0.143 4.498 4.640 0.001 0.000 0.135 134 D C 0.772 177.068 176.300 -0.006 0.000 0.601 134 D CA 1.619 55.616 54.000 -0.005 0.000 1.023 134 D CB -0.789 40.010 40.800 -0.002 0.000 0.751 134 D HN 0.101 nan 8.370 nan 0.000 0.585 135 E N 0.274 120.471 120.200 -0.006 0.000 2.121 135 E HA 0.273 4.624 4.350 0.001 0.000 0.194 135 E C 1.307 177.902 176.600 -0.008 0.000 0.940 135 E CA 0.536 56.933 56.400 -0.005 0.000 0.884 135 E CB 1.001 30.700 29.700 -0.002 0.000 0.874 135 E HN 0.412 nan 8.360 nan 0.000 0.471 136 I N 0.684 121.248 120.570 -0.011 0.000 4.817 136 I HA -0.445 3.725 4.170 0.001 0.000 0.041 136 I C 1.140 177.251 176.117 -0.010 0.000 0.632 136 I CA 2.150 63.442 61.300 -0.014 0.000 0.510 136 I CB -2.073 35.917 38.000 -0.016 0.000 0.512 136 I HN 0.171 nan 8.210 nan 0.000 0.153 137 D N 1.471 121.866 120.400 -0.008 0.000 2.351 137 D HA 0.035 4.676 4.640 0.001 0.000 0.216 137 D C 2.032 178.330 176.300 -0.004 0.000 0.968 137 D CA 1.147 55.143 54.000 -0.006 0.000 0.899 137 D CB -0.012 40.784 40.800 -0.006 0.000 0.907 137 D HN 0.468 nan 8.370 nan 0.000 0.514 138 V N 0.005 119.917 119.914 -0.004 0.000 2.672 138 V HA 0.019 4.140 4.120 0.001 0.000 0.242 138 V C 2.344 178.437 176.094 -0.001 0.000 1.059 138 V CA 0.283 62.582 62.300 -0.002 0.000 1.081 138 V CB -0.067 31.756 31.823 -0.001 0.000 0.752 138 V HN 0.166 nan 8.190 nan 0.000 0.472 139 L N -0.379 120.843 121.223 -0.003 0.000 2.017 139 L HA -0.112 4.229 4.340 0.001 0.000 0.208 139 L C 2.178 179.046 176.870 -0.003 0.000 1.073 139 L CA 1.708 56.547 54.840 -0.002 0.000 0.745 139 L CB -0.104 41.952 42.059 -0.005 0.000 0.894 139 L HN 0.281 nan 8.230 nan 0.000 0.432 140 L N -0.574 120.645 121.223 -0.006 0.000 2.622 140 L HA -0.168 4.173 4.340 0.001 0.000 0.233 140 L C 1.282 178.150 176.870 -0.004 0.000 1.156 140 L CA 0.415 55.252 54.840 -0.006 0.000 0.866 140 L CB -0.203 41.851 42.059 -0.008 0.000 0.980 140 L HN 0.330 nan 8.230 nan 0.000 0.448 141 D N -0.362 120.037 120.400 -0.002 0.000 2.414 141 D HA -0.145 4.496 4.640 0.001 0.000 0.237 141 D C 1.872 178.173 176.300 0.000 0.000 0.975 141 D CA 0.750 54.749 54.000 -0.001 0.000 0.917 141 D CB 0.304 41.103 40.800 -0.001 0.000 1.061 141 D HN 0.389 nan 8.370 nan 0.000 0.480 142 E N 0.205 120.406 120.200 0.001 0.000 2.516 142 E HA 0.016 4.367 4.350 0.001 0.000 0.199 142 E C 1.584 178.186 176.600 0.003 0.000 1.069 142 E CA 0.677 57.079 56.400 0.003 0.000 0.876 142 E CB 0.094 29.797 29.700 0.004 0.000 0.843 142 E HN 0.177 nan 8.360 nan 0.000 0.530 143 A N 1.715 124.536 122.820 0.002 0.000 1.872 143 A HA -0.175 4.146 4.320 0.001 0.000 0.214 143 A C 1.709 179.294 177.584 0.001 0.000 1.187 143 A CA 1.491 53.529 52.037 0.002 0.000 0.614 143 A CB -0.336 18.664 19.000 0.000 0.000 0.826 143 A HN 0.205 nan 8.150 nan 0.000 0.442 144 D N -0.462 119.939 120.400 0.000 0.000 2.137 144 D HA -0.207 4.434 4.640 0.001 0.000 0.193 144 D C 1.932 178.232 176.300 0.001 0.000 0.993 144 D CA 1.488 55.488 54.000 0.000 0.000 0.846 144 D CB -0.588 40.212 40.800 -0.000 0.000 0.990 144 D HN 0.430 nan 8.370 nan 0.000 0.448 145 R N 0.800 121.301 120.500 0.002 0.000 2.290 145 R HA -0.308 4.033 4.340 0.001 0.000 0.232 145 R C 2.034 178.335 176.300 0.003 0.000 1.110 145 R CA 2.628 58.729 56.100 0.003 0.000 0.871 145 R CB -0.209 30.093 30.300 0.004 0.000 0.964 145 R HN 0.147 nan 8.270 nan 0.000 0.410 146 K N -0.638 119.764 120.400 0.003 0.000 2.211 146 K HA -0.029 4.291 4.320 0.001 0.000 0.203 146 K C 1.401 178.001 176.600 0.001 0.000 1.050 146 K CA 0.599 56.887 56.287 0.003 0.000 0.945 146 K CB 0.124 32.627 32.500 0.004 0.000 0.732 146 K HN 0.308 nan 8.250 nan 0.000 0.451 147 I N 1.307 121.877 120.570 0.000 0.000 3.826 147 I HA 0.027 4.198 4.170 0.001 0.000 0.319 147 I C 0.459 176.574 176.117 -0.002 0.000 1.394 147 I CA 0.702 62.001 61.300 -0.002 0.000 1.197 147 I CB -0.110 37.889 38.000 -0.002 0.000 1.096 147 I HN 0.152 nan 8.210 nan 0.000 0.409 148 M N -0.097 119.503 119.600 -0.001 0.000 2.603 148 M HA 0.332 4.813 4.480 0.001 0.000 0.380 148 M C -0.090 176.209 176.300 -0.000 0.000 1.158 148 M CA 0.234 55.534 55.300 -0.001 0.000 0.921 148 M CB 0.528 33.128 32.600 0.000 0.000 1.417 148 M HN 0.082 nan 8.290 nan 0.000 0.523 161 N N 2.808 121.510 118.700 0.004 0.000 2.476 161 N HA 0.287 5.028 4.740 0.001 0.000 0.275 161 N C 0.569 176.081 175.510 0.003 0.000 1.190 161 N CA -0.425 52.626 53.050 0.003 0.000 0.977 161 N CB 0.958 39.446 38.487 0.002 0.000 1.200 161 N HN 0.714 nan 8.380 nan 0.000 0.515 162 I N 1.008 121.580 120.570 0.002 0.000 3.419 162 I HA -0.050 4.121 4.170 0.001 0.000 0.286 162 I C 1.634 177.751 176.117 0.001 0.000 1.268 162 I CA 0.358 61.660 61.300 0.003 0.000 1.414 162 I CB 0.023 38.024 38.000 0.002 0.000 1.074 162 I HN 0.641 nan 8.210 nan 0.000 0.457 163 K N 0.018 120.417 120.400 -0.001 0.000 2.009 163 K HA -0.196 4.125 4.320 0.001 0.000 0.210 163 K C 1.346 177.945 176.600 -0.003 0.000 1.049 163 K CA 1.964 58.248 56.287 -0.005 0.000 0.929 163 K CB -0.464 32.032 32.500 -0.006 0.000 0.714 163 K HN 0.209 nan 8.250 nan 0.000 0.440 164 D N 0.422 120.823 120.400 0.002 0.000 2.323 164 D HA 0.054 4.695 4.640 0.001 0.000 0.209 164 D C 1.979 178.286 176.300 0.012 0.000 0.973 164 D CA 0.686 54.689 54.000 0.006 0.000 0.874 164 D CB 0.122 40.926 40.800 0.006 0.000 0.930 164 D HN 0.302 nan 8.370 nan 0.000 0.521 165 I N 0.617 121.194 120.570 0.012 0.000 2.193 165 I HA -0.211 3.960 4.170 0.001 0.000 0.240 165 I C 2.419 178.551 176.117 0.026 0.000 1.084 165 I CA 0.607 61.918 61.300 0.017 0.000 1.365 165 I CB -0.160 37.848 38.000 0.014 0.000 1.064 165 I HN -0.073 nan 8.210 nan 0.000 0.410 166 L N 0.171 121.407 121.223 0.022 0.000 1.990 166 L HA -0.244 4.097 4.340 0.001 0.000 0.213 166 L C 2.643 179.540 176.870 0.046 0.000 1.072 166 L CA 1.274 56.134 54.840 0.033 0.000 0.755 166 L CB -0.851 41.215 42.059 0.012 0.000 0.889 166 L HN 0.060 nan 8.230 nan 0.000 0.432 167 V N -0.562 119.363 119.914 0.020 0.000 2.363 167 V HA -0.371 3.749 4.120 0.001 0.000 0.254 167 V C 2.472 178.598 176.094 0.054 0.000 1.074 167 V CA 1.951 64.263 62.300 0.019 0.000 1.069 167 V CB -0.511 31.314 31.823 0.003 0.000 0.659 167 V HN 0.540 nan 8.190 nan 0.000 0.455 168 Q N -1.606 118.224 119.800 0.049 0.000 2.250 168 Q HA -0.075 4.266 4.340 0.001 0.000 0.200 168 Q C 2.336 178.371 176.000 0.059 0.000 0.941 168 Q CA 1.326 57.158 55.803 0.050 0.000 0.872 168 Q CB -0.006 28.752 28.738 0.033 0.000 0.965 168 Q HN 0.605 nan 8.270 nan 0.000 0.480 169 T N 0.330 114.923 114.554 0.066 0.000 2.746 169 T HA -0.178 4.173 4.350 0.001 0.000 0.267 169 T C 1.402 176.145 174.700 0.073 0.000 1.039 169 T CA 1.067 63.202 62.100 0.060 0.000 1.142 169 T CB -0.322 68.581 68.868 0.058 0.000 0.866 169 T HN 0.289 nan 8.240 nan 0.000 0.444 170 Y N 1.549 121.833 120.300 -0.026 0.000 2.333 170 Y HA -0.099 4.452 4.550 0.001 0.000 0.290 170 Y C 2.207 178.085 175.900 -0.037 0.000 1.144 170 Y CA 1.021 59.098 58.100 -0.039 0.000 1.228 170 Y CB -0.126 38.314 38.460 -0.033 0.000 0.985 170 Y HN 0.110 nan 8.280 nan 0.000 0.542 171 D N -0.833 119.629 120.400 0.103 0.000 2.312 171 D HA -0.100 4.541 4.640 0.001 0.000 0.211 171 D C 1.238 177.537 176.300 -0.002 0.000 0.964 171 D CA 0.849 54.877 54.000 0.047 0.000 0.877 171 D CB -0.036 40.798 40.800 0.056 0.000 0.924 171 D HN 0.400 nan 8.370 nan 0.000 0.515 172 N N -0.826 117.865 118.700 -0.015 0.000 2.436 172 N HA 0.122 4.863 4.740 0.001 0.000 0.178 172 N C 1.709 177.178 175.510 -0.068 0.000 1.026 172 N CA 0.021 53.056 53.050 -0.024 0.000 0.880 172 N CB 0.417 38.902 38.487 -0.003 0.000 1.061 172 N HN 0.034 nan 8.380 nan 0.000 0.434 173 I N 1.575 122.062 120.570 -0.137 0.000 2.361 173 I HA -0.225 3.946 4.170 0.001 0.000 0.251 173 I C 2.102 177.978 176.117 -0.402 0.000 1.133 173 I CA 1.342 62.498 61.300 -0.240 0.000 1.413 173 I CB -0.860 36.944 38.000 -0.326 0.000 1.073 173 I HN 0.340 nan 8.210 nan 0.000 0.424 174 E N 1.634 121.601 120.200 -0.388 0.000 2.015 174 E HA -0.235 4.116 4.350 0.001 0.000 0.191 174 E C 2.188 178.744 176.600 -0.073 0.000 0.991 174 E CA 1.254 57.468 56.400 -0.310 0.000 0.802 174 E CB -0.870 28.709 29.700 -0.201 0.000 0.759 174 E HN 0.254 nan 8.360 nan 0.000 0.447 175 M N 0.043 119.611 119.600 -0.053 0.000 2.324 175 M HA -0.192 4.289 4.480 0.001 0.000 0.255 175 M C 1.918 178.243 176.300 0.041 0.000 1.088 175 M CA 1.438 56.740 55.300 0.004 0.000 1.048 175 M CB -0.329 32.274 32.600 0.005 0.000 1.383 175 M HN 0.226 nan 8.290 nan 0.000 0.418 176 L N -2.315 118.955 121.223 0.078 0.000 2.240 176 L HA -0.172 4.169 4.340 0.001 0.000 0.211 176 L C 2.066 179.061 176.870 0.208 0.000 1.106 176 L CA 0.819 55.747 54.840 0.147 0.000 0.793 176 L CB -0.618 41.556 42.059 0.191 0.000 0.927 176 L HN 0.423 nan 8.230 nan 0.000 0.446 177 H N -1.725 117.319 119.070 -0.045 0.000 2.439 177 H HA -0.009 4.548 4.556 0.001 0.000 0.299 177 H C 1.798 177.108 175.328 -0.029 0.000 1.033 177 H CA 0.449 56.473 56.048 -0.039 0.000 1.348 177 H CB 0.182 29.909 29.762 -0.057 0.000 1.449 177 H HN 0.240 nan 8.280 nan 0.000 0.544 178 N N 1.857 120.623 118.700 0.109 0.000 2.055 178 N HA -0.273 4.468 4.740 0.001 0.000 0.200 178 N C 1.335 176.868 175.510 0.038 0.000 1.037 178 N CA 1.630 54.711 53.050 0.050 0.000 0.881 178 N CB -0.148 38.356 38.487 0.028 0.000 1.075 178 N HN 0.091 nan 8.380 nan 0.000 0.470 179 R N 0.084 120.605 120.500 0.035 0.000 3.197 179 R HA -0.269 4.071 4.340 0.001 0.000 0.533 179 R C -0.231 176.077 176.300 0.014 0.000 0.609 179 R CA 1.892 58.005 56.100 0.021 0.000 0.323 179 R CB -2.376 27.933 30.300 0.014 0.000 0.589 179 R HN 0.625 nan 8.270 nan 0.000 0.241 180 D N -0.161 120.245 120.400 0.010 0.000 5.175 180 D HA -0.071 4.570 4.640 0.001 0.000 0.188 180 D C 0.916 177.220 176.300 0.006 0.000 1.098 180 D CA 1.850 55.854 54.000 0.007 0.000 0.982 180 D CB -0.722 40.083 40.800 0.009 0.000 1.103 180 D HN 0.708 nan 8.370 nan 0.000 0.615 181 G N 1.797 110.598 108.800 0.003 0.000 4.474 181 G HA2 -0.049 3.911 3.960 0.001 0.000 0.202 181 G HA3 -0.049 3.911 3.960 0.001 0.000 0.202 181 G C -0.052 174.845 174.900 -0.006 0.000 0.708 181 G CA 0.030 45.129 45.100 -0.002 0.000 0.806 181 G HN 0.527 nan 8.290 nan 0.000 0.508 182 E N 1.285 121.483 120.200 -0.003 0.000 2.417 182 E HA 0.305 4.656 4.350 0.001 0.000 0.261 182 E C -0.346 176.249 176.600 -0.009 0.000 1.000 182 E CA -0.186 56.211 56.400 -0.005 0.000 0.919 182 E CB 0.916 30.615 29.700 -0.002 0.000 0.955 182 E HN 0.279 nan 8.360 nan 0.000 0.455 183 I N 4.186 124.748 120.570 -0.014 0.000 2.256 183 I HA -0.013 4.158 4.170 0.001 0.000 0.294 183 I C 1.367 177.476 176.117 -0.013 0.000 1.127 183 I CA -0.176 61.112 61.300 -0.021 0.000 1.247 183 I CB 0.760 38.740 38.000 -0.034 0.000 1.460 183 I HN 0.708 nan 8.210 nan 0.000 0.511 184 T N 3.603 118.154 114.554 -0.005 0.000 3.055 184 T HA 0.109 4.460 4.350 0.001 0.000 0.265 184 T C 1.095 175.801 174.700 0.010 0.000 1.111 184 T CA 1.079 63.181 62.100 0.004 0.000 1.118 184 T CB 0.014 68.887 68.868 0.009 0.000 0.909 184 T HN 0.747 nan 8.240 nan 0.000 0.501 185 G N 1.010 109.816 108.800 0.010 0.000 3.271 185 G HA2 0.507 4.468 3.960 0.001 0.000 0.174 185 G HA3 0.507 4.468 3.960 0.001 0.000 0.174 185 G C -0.649 174.262 174.900 0.017 0.000 1.385 185 G CA -0.565 44.551 45.100 0.026 0.000 0.979 185 G HN 0.288 nan 8.290 nan 0.000 0.610 186 I N 2.902 123.493 120.570 0.035 0.000 2.312 186 I HA 0.302 4.473 4.170 0.001 0.000 0.290 186 I C -2.119 173.978 176.117 -0.034 0.000 1.008 186 I CA -2.914 58.399 61.300 0.021 0.000 1.226 186 I CB 0.797 38.837 38.000 0.067 0.000 1.371 186 I HN 0.159 nan 8.210 nan 0.000 0.468 187 P HA 0.101 nan 4.420 nan 0.000 0.265 187 P C 0.436 177.648 177.300 -0.148 0.000 1.193 187 P CA 0.099 63.133 63.100 -0.110 0.000 0.765 187 P CB 0.813 32.460 31.700 -0.088 0.000 0.823 188 T N 0.690 115.112 114.554 -0.220 0.000 3.057 188 T HA 0.204 4.555 4.350 0.001 0.000 0.254 188 T C 1.431 175.901 174.700 -0.384 0.000 1.094 188 T CA 0.747 62.695 62.100 -0.253 0.000 1.088 188 T CB -0.225 68.471 68.868 -0.287 0.000 0.934 188 T HN 0.696 nan 8.240 nan 0.000 0.497 189 G N 1.586 110.179 108.800 -0.346 0.000 2.241 189 G HA2 -0.230 3.731 3.960 0.001 0.000 0.244 189 G HA3 -0.230 3.731 3.960 0.001 0.000 0.244 189 G C 0.088 174.688 174.900 -0.500 0.000 0.998 189 G CA -0.450 44.374 45.100 -0.460 0.000 0.621 189 G HN 0.556 nan 8.290 nan 0.000 0.519 190 F N 2.668 122.586 119.950 -0.053 0.000 2.335 190 F HA 0.398 4.926 4.527 0.001 0.000 0.365 190 F C 2.044 177.824 175.800 -0.033 0.000 1.122 190 F CA 0.038 58.028 58.000 -0.016 0.000 1.151 190 F CB 1.142 40.152 39.000 0.016 0.000 1.282 190 F HN 0.156 nan 8.300 nan 0.000 0.513 191 T N -1.571 113.056 114.554 0.122 0.000 2.653 191 T HA -0.317 4.034 4.350 0.001 0.000 0.268 191 T C 1.612 176.343 174.700 0.053 0.000 1.035 191 T CA 2.015 64.147 62.100 0.053 0.000 1.154 191 T CB -0.283 68.609 68.868 0.041 0.000 0.862 191 T HN 0.622 nan 8.240 nan 0.000 0.441 192 E N 0.134 120.382 120.200 0.081 0.000 2.152 192 E HA 0.020 4.371 4.350 0.001 0.000 0.192 192 E C 1.981 178.607 176.600 0.043 0.000 0.983 192 E CA 0.521 56.951 56.400 0.051 0.000 0.818 192 E CB -0.152 29.578 29.700 0.051 0.000 0.758 192 E HN 0.407 nan 8.360 nan 0.000 0.467 193 L N 0.845 122.110 121.223 0.070 0.000 2.240 193 L HA -0.068 4.273 4.340 0.001 0.000 0.211 193 L C 1.114 177.956 176.870 -0.047 0.000 1.106 193 L CA 1.557 56.418 54.840 0.036 0.000 0.793 193 L CB 0.030 42.147 42.059 0.097 0.000 0.927 193 L HN -0.020 nan 8.230 nan 0.000 0.446 194 D N -0.691 119.680 120.400 -0.048 0.000 2.149 194 D HA -0.102 4.539 4.640 0.001 0.000 0.201 194 D C 2.221 178.492 176.300 -0.049 0.000 0.972 194 D CA 0.645 54.591 54.000 -0.090 0.000 0.835 194 D CB -0.052 40.700 40.800 -0.080 0.000 0.966 194 D HN 0.240 nan 8.370 nan 0.000 0.476 195 R N -0.129 120.359 120.500 -0.020 0.000 2.113 195 R HA -0.116 4.225 4.340 0.001 0.000 0.244 195 R C 2.248 178.546 176.300 -0.003 0.000 1.142 195 R CA 1.309 57.404 56.100 -0.008 0.000 0.953 195 R CB -0.167 30.132 30.300 -0.002 0.000 0.860 195 R HN 0.245 nan 8.270 nan 0.000 0.438 196 M N -1.085 118.515 119.600 0.001 0.000 2.193 196 M HA -0.090 4.391 4.480 0.001 0.000 0.265 196 M C 2.261 178.572 176.300 0.018 0.000 1.071 196 M CA 1.864 57.173 55.300 0.015 0.000 1.140 196 M CB 0.019 32.634 32.600 0.025 0.000 1.369 196 M HN 0.295 nan 8.290 nan 0.000 0.423 197 T N -4.026 110.528 114.554 0.001 0.000 2.983 197 T HA 0.138 4.489 4.350 0.001 0.000 0.250 197 T C 1.024 175.728 174.700 0.007 0.000 1.037 197 T CA 0.709 62.823 62.100 0.022 0.000 1.142 197 T CB 0.125 69.002 68.868 0.016 0.000 0.876 197 T HN 0.309 nan 8.240 nan 0.000 0.455 198 S N 0.091 115.769 115.700 -0.036 0.000 3.305 198 S HA -0.072 4.399 4.470 0.001 0.000 0.279 198 S C 0.824 175.408 174.600 -0.027 0.000 1.292 198 S CA 0.371 58.555 58.200 -0.026 0.000 0.914 198 S CB -1.708 61.493 63.200 0.001 0.000 1.125 198 S HN 1.078 nan 8.310 nan 0.000 0.668 199 G N 0.138 108.905 108.800 -0.056 0.000 3.157 199 G HA2 0.607 4.568 3.960 0.001 0.000 0.206 199 G HA3 0.607 4.568 3.960 0.001 0.000 0.206 199 G C -0.375 174.509 174.900 -0.027 0.000 1.903 199 G CA -0.438 44.567 45.100 -0.158 0.000 0.771 199 G HN 0.234 nan 8.290 nan 0.000 0.750 200 F N 2.305 122.266 119.950 0.018 0.000 2.471 200 F HA 0.431 4.959 4.527 0.002 0.000 0.365 200 F C 0.835 176.641 175.800 0.009 0.000 1.095 200 F CA -0.669 57.340 58.000 0.015 0.000 1.174 200 F CB 0.584 39.593 39.000 0.015 0.000 1.105 200 F HN 0.141 nan 8.300 nan 0.000 0.535 201 Q N 2.902 122.827 119.800 0.207 0.000 2.257 201 Q HA 0.465 4.806 4.340 0.001 0.000 0.262 201 Q C -0.179 175.864 176.000 0.071 0.000 0.997 201 Q CA -1.204 54.663 55.803 0.107 0.000 0.873 201 Q CB 2.111 30.896 28.738 0.079 0.000 1.312 201 Q HN 0.510 nan 8.270 nan 0.000 0.450 202 R N 0.638 121.167 120.500 0.049 0.000 2.585 202 R HA -0.018 4.323 4.340 0.001 0.000 0.275 202 R C 0.189 176.501 176.300 0.019 0.000 1.018 202 R CA 0.637 56.754 56.100 0.030 0.000 1.072 202 R CB 0.127 30.440 30.300 0.021 0.000 0.953 202 R HN 0.864 nan 8.270 nan 0.000 0.419 203 S N -0.481 115.224 115.700 0.009 0.000 2.319 203 S HA -0.135 4.336 4.470 0.001 0.000 0.253 203 S C -0.349 174.249 174.600 -0.004 0.000 1.235 203 S CA 1.364 59.564 58.200 -0.000 0.000 1.388 203 S CB -0.810 62.390 63.200 -0.000 0.000 1.723 203 S HN 0.756 nan 8.310 nan 0.000 0.611 204 D N 1.069 121.469 120.400 -0.000 0.000 2.304 204 D HA 0.506 5.146 4.640 0.001 0.000 0.250 204 D C -0.240 176.036 176.300 -0.040 0.000 1.107 204 D CA -0.284 53.709 54.000 -0.012 0.000 0.885 204 D CB 0.818 41.621 40.800 0.005 0.000 1.192 204 D HN 0.222 nan 8.370 nan 0.000 0.436 205 L N 3.929 125.125 121.223 -0.046 0.000 2.270 205 L HA 0.393 4.734 4.340 0.001 0.000 0.286 205 L C -1.005 175.809 176.870 -0.094 0.000 1.059 205 L CA -0.179 54.622 54.840 -0.064 0.000 0.839 205 L CB 0.073 42.103 42.059 -0.048 0.000 1.221 205 L HN 0.286 nan 8.230 nan 0.000 0.431 206 I N 6.227 126.708 120.570 -0.148 0.000 2.315 206 I HA 0.338 4.509 4.170 0.001 0.000 0.291 206 I C -0.280 175.737 176.117 -0.167 0.000 1.006 206 I CA -0.112 61.059 61.300 -0.214 0.000 1.265 206 I CB 1.091 38.818 38.000 -0.456 0.000 1.387 206 I HN 0.479 nan 8.210 nan 0.000 0.475 207 I N 6.952 127.439 120.570 -0.138 0.000 2.362 207 I HA 0.318 4.489 4.170 0.001 0.000 0.289 207 I C -0.642 175.405 176.117 -0.117 0.000 0.994 207 I CA -0.621 60.618 61.300 -0.102 0.000 1.158 207 I CB 1.781 39.730 38.000 -0.084 0.000 1.315 207 I HN 0.206 nan 8.210 nan 0.000 0.451 208 V N 6.600 126.482 119.914 -0.053 0.000 2.313 208 V HA 0.628 4.749 4.120 0.001 0.000 0.278 208 V C 0.258 176.355 176.094 0.005 0.000 1.017 208 V CA -0.501 61.778 62.300 -0.034 0.000 0.823 208 V CB 1.160 33.026 31.823 0.073 0.000 1.010 208 V HN 0.777 nan 8.190 nan 0.000 0.443 209 A N 4.236 127.064 122.820 0.013 0.000 2.324 209 A HA 1.011 5.332 4.320 0.001 0.000 0.330 209 A C -0.013 177.672 177.584 0.168 0.000 1.165 209 A CA -0.081 52.035 52.037 0.132 0.000 0.813 209 A CB 1.479 20.638 19.000 0.265 0.000 1.197 209 A HN 1.536 nan 8.150 nan 0.000 0.484 210 A N 2.078 124.948 122.820 0.083 0.000 2.577 210 A HA 0.641 4.962 4.320 0.001 0.000 0.297 210 A C -0.287 177.285 177.584 -0.021 0.000 1.060 210 A CA -0.774 51.283 52.037 0.034 0.000 0.697 210 A CB 0.828 19.824 19.000 -0.007 0.000 1.281 210 A HN 0.876 nan 8.150 nan 0.000 0.402 211 R N 0.862 121.343 120.500 -0.031 0.000 2.827 211 R HA 0.321 4.662 4.340 0.001 0.000 0.269 211 R C -2.332 173.924 176.300 -0.074 0.000 1.048 211 R CA -1.022 55.045 56.100 -0.055 0.000 1.173 211 R CB -0.079 30.194 30.300 -0.046 0.000 1.070 211 R HN 0.429 nan 8.270 nan 0.000 0.498 212 P HA -0.029 nan 4.420 nan 0.000 0.266 212 P C -0.208 177.053 177.300 -0.065 0.000 1.195 212 P CA 0.621 63.671 63.100 -0.083 0.000 0.768 212 P CB 0.847 32.502 31.700 -0.074 0.000 0.838 213 S N -0.226 115.440 115.700 -0.057 0.000 2.427 213 S HA -0.168 4.303 4.470 0.001 0.000 0.253 213 S C 1.224 175.766 174.600 -0.096 0.000 1.246 213 S CA 1.120 59.286 58.200 -0.056 0.000 1.421 213 S CB -1.715 61.456 63.200 -0.048 0.000 1.769 213 S HN 0.313 nan 8.310 nan 0.000 0.620 214 V N 0.397 120.249 119.914 -0.104 0.000 2.515 214 V HA 0.182 4.303 4.120 0.001 0.000 0.250 214 V C 1.840 177.816 176.094 -0.197 0.000 1.058 214 V CA 1.825 64.037 62.300 -0.147 0.000 1.064 214 V CB -0.688 31.069 31.823 -0.109 0.000 0.675 214 V HN 1.429 nan 8.190 nan 0.000 0.461 215 G N 0.592 109.330 108.800 -0.103 0.000 2.337 215 G HA2 -0.166 3.794 3.960 0.001 0.000 0.134 215 G HA3 -0.166 3.794 3.960 0.001 0.000 0.134 215 G C 0.603 175.598 174.900 0.159 0.000 1.052 215 G CA 0.285 45.364 45.100 -0.034 0.000 0.737 215 G HN 0.537 nan 8.290 nan 0.000 0.485 216 K N -1.208 119.250 120.400 0.096 0.000 2.148 216 K HA -0.019 4.302 4.320 0.001 0.000 0.204 216 K C 1.993 178.732 176.600 0.232 0.000 1.050 216 K CA 1.727 58.095 56.287 0.135 0.000 0.942 216 K CB -0.338 32.202 32.500 0.067 0.000 0.724 216 K HN 0.174 nan 8.250 nan 0.000 0.446 217 T N 1.361 116.035 114.554 0.200 0.000 2.777 217 T HA -0.030 4.321 4.350 0.001 0.000 0.266 217 T C 2.161 177.017 174.700 0.259 0.000 1.040 217 T CA 1.285 63.510 62.100 0.208 0.000 1.141 217 T CB -0.252 68.720 68.868 0.174 0.000 0.868 217 T HN 0.459 nan 8.240 nan 0.000 0.444 218 A N 1.006 124.029 122.820 0.338 0.000 1.933 218 A HA -0.011 4.310 4.320 0.001 0.000 0.218 218 A C 1.986 179.930 177.584 0.600 0.000 1.175 218 A CA 1.188 53.504 52.037 0.465 0.000 0.628 218 A CB -0.909 18.433 19.000 0.570 0.000 0.814 218 A HN 0.468 nan 8.150 nan 0.000 0.444 219 F N 1.028 121.214 119.950 0.393 0.000 2.102 219 F HA -0.056 4.472 4.527 0.001 0.000 0.298 219 F C 2.536 178.408 175.800 0.120 0.000 1.105 219 F CA 1.214 59.217 58.000 0.006 0.000 1.239 219 F CB -0.567 38.207 39.000 -0.377 0.000 0.991 219 F HN 0.241 nan 8.300 nan 0.000 0.474 220 A N 0.666 123.569 122.820 0.138 0.000 1.908 220 A HA -0.150 4.170 4.320 0.001 0.000 0.218 220 A C 2.348 179.956 177.584 0.039 0.000 1.181 220 A CA 1.866 53.929 52.037 0.044 0.000 0.627 220 A CB -1.200 17.876 19.000 0.128 0.000 0.818 220 A HN 0.511 nan 8.150 nan 0.000 0.445 221 L N -0.642 120.648 121.223 0.111 0.000 2.056 221 L HA -0.213 4.128 4.340 0.001 0.000 0.207 221 L C 2.403 179.328 176.870 0.092 0.000 1.078 221 L CA 1.640 56.542 54.840 0.103 0.000 0.749 221 L CB -0.788 41.352 42.059 0.135 0.000 0.901 221 L HN 0.528 nan 8.230 nan 0.000 0.433 222 N N 0.271 119.065 118.700 0.157 0.000 2.069 222 N HA -0.213 4.527 4.740 0.001 0.000 0.191 222 N C 1.912 177.440 175.510 0.030 0.000 1.031 222 N CA 1.271 54.428 53.050 0.177 0.000 0.852 222 N CB -0.123 38.641 38.487 0.460 0.000 1.018 222 N HN 0.260 nan 8.380 nan 0.000 0.423 223 I N 1.385 121.945 120.570 -0.016 0.000 2.099 223 I HA -0.280 3.891 4.170 0.001 0.000 0.239 223 I C 2.611 178.707 176.117 -0.035 0.000 1.066 223 I CA 1.092 62.355 61.300 -0.062 0.000 1.324 223 I CB -0.509 37.453 38.000 -0.064 0.000 1.037 223 I HN 0.130 nan 8.210 nan 0.000 0.401 224 A N -0.047 122.770 122.820 -0.005 0.000 1.917 224 A HA -0.332 3.989 4.320 0.001 0.000 0.219 224 A C 2.326 179.902 177.584 -0.013 0.000 1.182 224 A CA 2.261 54.301 52.037 0.005 0.000 0.633 224 A CB -0.842 18.169 19.000 0.017 0.000 0.819 224 A HN 0.560 nan 8.150 nan 0.000 0.448 225 Q N -0.559 119.231 119.800 -0.017 0.000 2.046 225 Q HA -0.198 4.142 4.340 0.001 0.000 0.200 225 Q C 1.962 177.926 176.000 -0.060 0.000 0.975 225 Q CA 1.786 57.571 55.803 -0.030 0.000 0.836 225 Q CB -0.194 28.537 28.738 -0.012 0.000 0.896 225 Q HN 0.828 nan 8.270 nan 0.000 0.428 226 N N -0.789 117.853 118.700 -0.097 0.000 2.104 226 N HA -0.172 4.569 4.740 0.001 0.000 0.190 226 N C 1.725 177.170 175.510 -0.108 0.000 1.024 226 N CA 1.441 54.404 53.050 -0.145 0.000 0.853 226 N CB 0.052 38.372 38.487 -0.279 0.000 1.008 226 N HN 0.025 nan 8.380 nan 0.000 0.424 227 V N 0.913 120.781 119.914 -0.078 0.000 2.270 227 V HA -0.198 3.922 4.120 0.001 0.000 0.245 227 V C 2.240 178.314 176.094 -0.034 0.000 1.043 227 V CA 1.987 64.260 62.300 -0.046 0.000 1.014 227 V CB -0.836 30.980 31.823 -0.011 0.000 0.645 227 V HN 0.384 nan 8.190 nan 0.000 0.447 228 A N 0.348 123.151 122.820 -0.029 0.000 2.014 228 A HA -0.152 4.169 4.320 0.001 0.000 0.218 228 A C 2.413 179.975 177.584 -0.037 0.000 1.163 228 A CA 2.144 54.166 52.037 -0.025 0.000 0.652 228 A CB -0.655 18.329 19.000 -0.027 0.000 0.808 228 A HN 0.651 nan 8.150 nan 0.000 0.449 229 T N -2.668 111.857 114.554 -0.048 0.000 2.939 229 T HA 0.074 4.425 4.350 0.001 0.000 0.254 229 T C 1.871 176.541 174.700 -0.050 0.000 1.041 229 T CA 1.153 63.223 62.100 -0.050 0.000 1.142 229 T CB -0.099 68.735 68.868 -0.056 0.000 0.874 229 T HN 0.419 nan 8.240 nan 0.000 0.452 230 K N 0.535 120.900 120.400 -0.058 0.000 2.044 230 K HA 0.166 4.487 4.320 0.001 0.000 0.204 230 K C 1.413 177.986 176.600 -0.044 0.000 1.045 230 K CA 0.737 56.989 56.287 -0.057 0.000 0.951 230 K CB -0.157 32.297 32.500 -0.076 0.000 0.738 230 K HN 0.237 nan 8.250 nan 0.000 0.443 231 T N 0.030 114.560 114.554 -0.041 0.000 2.881 231 T HA 0.096 4.447 4.350 0.001 0.000 0.278 231 T C 0.510 175.199 174.700 -0.017 0.000 0.982 231 T CA -0.567 61.516 62.100 -0.028 0.000 0.989 231 T CB 0.962 69.815 68.868 -0.026 0.000 1.058 231 T HN -0.013 nan 8.240 nan 0.000 0.529 232 N N 1.169 119.864 118.700 -0.010 0.000 2.449 232 N HA 0.084 4.825 4.740 0.001 0.000 0.191 232 N C -0.011 175.505 175.510 0.010 0.000 1.161 232 N CA 0.080 53.129 53.050 -0.002 0.000 0.863 232 N CB -0.005 38.481 38.487 -0.002 0.000 0.980 232 N HN 0.507 nan 8.380 nan 0.000 0.458 233 E N -0.154 120.053 120.200 0.011 0.000 2.318 233 E HA 0.272 4.623 4.350 0.001 0.000 0.265 233 E C -0.711 175.914 176.600 0.042 0.000 1.069 233 E CA -0.446 55.968 56.400 0.023 0.000 0.893 233 E CB 0.496 30.207 29.700 0.020 0.000 1.076 233 E HN 0.095 nan 8.360 nan 0.000 0.414 234 N N 0.768 119.505 118.700 0.062 0.000 2.430 234 N HA 0.317 5.058 4.740 0.001 0.000 0.292 234 N C -1.370 174.199 175.510 0.098 0.000 1.051 234 N CA -0.431 52.689 53.050 0.116 0.000 0.917 234 N CB 1.697 40.284 38.487 0.167 0.000 1.164 234 N HN 0.080 nan 8.380 nan 0.000 0.484 235 V N 1.001 120.985 119.914 0.117 0.000 2.384 235 V HA 0.633 4.753 4.120 0.001 0.000 0.287 235 V C 0.014 176.165 176.094 0.094 0.000 1.020 235 V CA -1.046 61.302 62.300 0.080 0.000 0.850 235 V CB 1.253 33.102 31.823 0.044 0.000 0.987 235 V HN 0.753 nan 8.190 nan 0.000 0.436 236 A N 6.817 129.664 122.820 0.045 0.000 2.249 236 A HA 0.834 5.155 4.320 0.001 0.000 0.314 236 A C -0.535 176.987 177.584 -0.105 0.000 1.290 236 A CA -0.353 51.656 52.037 -0.047 0.000 0.893 236 A CB 0.138 19.099 19.000 -0.066 0.000 1.165 236 A HN 0.789 nan 8.150 nan 0.000 0.530 237 I N 2.138 122.586 120.570 -0.202 0.000 2.378 237 I HA 0.364 4.535 4.170 0.001 0.000 0.291 237 I C -1.188 174.742 176.117 -0.310 0.000 0.992 237 I CA -0.275 60.945 61.300 -0.133 0.000 1.154 237 I CB 1.554 39.528 38.000 -0.044 0.000 1.315 237 I HN 0.548 nan 8.210 nan 0.000 0.448 238 F N 4.216 124.181 119.950 0.025 0.000 2.332 238 F HA 0.312 4.840 4.527 0.001 0.000 0.368 238 F C 0.645 176.452 175.800 0.012 0.000 1.110 238 F CA -0.438 57.570 58.000 0.014 0.000 1.087 238 F CB 1.616 40.616 39.000 0.000 0.000 1.235 238 F HN 0.310 nan 8.300 nan 0.000 0.470 239 S N 5.010 120.789 115.700 0.132 0.000 2.461 239 S HA 0.437 4.908 4.470 0.001 0.000 0.322 239 S C 0.884 175.526 174.600 0.072 0.000 1.063 239 S CA -0.616 57.640 58.200 0.094 0.000 1.120 239 S CB 0.267 63.505 63.200 0.064 0.000 0.968 239 S HN 0.692 nan 8.310 nan 0.000 0.467 240 L N 3.544 124.787 121.223 0.034 0.000 2.307 240 L HA 0.206 4.546 4.340 0.001 0.000 0.211 240 L C 2.354 179.204 176.870 -0.033 0.000 1.099 240 L CA 0.556 55.384 54.840 -0.020 0.000 0.816 240 L CB -0.184 41.813 42.059 -0.104 0.000 0.952 240 L HN 0.617 nan 8.230 nan 0.000 0.455 241 E N 0.076 120.270 120.200 -0.011 0.000 2.102 241 E HA 0.000 4.351 4.350 0.001 0.000 0.190 241 E C 0.941 177.578 176.600 0.060 0.000 0.971 241 E CA 0.134 56.558 56.400 0.040 0.000 0.821 241 E CB 0.533 30.320 29.700 0.145 0.000 0.777 241 E HN 0.156 nan 8.360 nan 0.000 0.460 242 M N 1.183 120.822 119.600 0.066 0.000 2.472 242 M HA 0.212 4.693 4.480 0.001 0.000 0.331 242 M C -0.280 176.047 176.300 0.044 0.000 1.170 242 M CA -0.547 54.789 55.300 0.061 0.000 1.009 242 M CB 1.619 34.264 32.600 0.075 0.000 1.672 242 M HN -0.008 nan 8.290 nan 0.000 0.453 243 S N 3.098 118.819 115.700 0.035 0.000 2.600 243 S HA 0.423 4.894 4.470 0.001 0.000 0.265 243 S C 0.980 175.592 174.600 0.019 0.000 1.325 243 S CA -0.146 58.069 58.200 0.025 0.000 1.002 243 S CB 1.173 64.385 63.200 0.020 0.000 0.921 243 S HN 0.848 nan 8.310 nan 0.000 0.554 244 A N 1.249 124.075 122.820 0.009 0.000 1.865 244 A HA -0.163 4.158 4.320 0.001 0.000 0.217 244 A C 2.350 179.931 177.584 -0.004 0.000 1.191 244 A CA 1.878 53.914 52.037 -0.002 0.000 0.623 244 A CB -1.264 17.730 19.000 -0.010 0.000 0.826 244 A HN 0.932 nan 8.150 nan 0.000 0.444 245 Q N -1.266 118.532 119.800 -0.003 0.000 2.119 245 Q HA -0.207 4.134 4.340 0.001 0.000 0.201 245 Q C 2.301 178.300 176.000 -0.001 0.000 0.972 245 Q CA 1.416 57.215 55.803 -0.007 0.000 0.847 245 Q CB -0.174 28.559 28.738 -0.007 0.000 0.903 245 Q HN 0.827 nan 8.270 nan 0.000 0.433 246 Q N 0.605 120.411 119.800 0.009 0.000 2.226 246 Q HA -0.154 4.187 4.340 0.001 0.000 0.204 246 Q C 1.944 177.959 176.000 0.025 0.000 0.975 246 Q CA 0.754 56.567 55.803 0.018 0.000 0.866 246 Q CB 0.076 28.829 28.738 0.026 0.000 0.915 246 Q HN 0.377 nan 8.270 nan 0.000 0.440 247 L N -0.945 120.292 121.223 0.023 0.000 2.127 247 L HA -0.077 4.263 4.340 0.001 0.000 0.203 247 L C 2.047 178.927 176.870 0.017 0.000 1.080 247 L CA 0.495 55.352 54.840 0.029 0.000 0.768 247 L CB -0.025 42.051 42.059 0.028 0.000 0.924 247 L HN 0.014 nan 8.230 nan 0.000 0.444 248 V N 0.084 119.997 119.914 -0.002 0.000 2.332 248 V HA -0.334 3.786 4.120 0.001 0.000 0.248 248 V C 2.668 178.754 176.094 -0.014 0.000 1.055 248 V CA 1.929 64.219 62.300 -0.016 0.000 1.038 248 V CB -0.538 31.266 31.823 -0.031 0.000 0.651 248 V HN 0.424 nan 8.190 nan 0.000 0.450 249 M N -0.488 119.105 119.600 -0.011 0.000 2.143 249 M HA -0.220 4.261 4.480 0.001 0.000 0.258 249 M C 2.310 178.612 176.300 0.003 0.000 1.071 249 M CA 1.927 57.219 55.300 -0.012 0.000 1.088 249 M CB -1.019 31.578 32.600 -0.006 0.000 1.360 249 M HN 0.370 nan 8.290 nan 0.000 0.404 250 R N -0.029 120.484 120.500 0.022 0.000 2.119 250 R HA -0.021 4.320 4.340 0.001 0.000 0.222 250 R C 2.098 178.426 176.300 0.046 0.000 1.088 250 R CA 1.286 57.412 56.100 0.044 0.000 0.984 250 R CB -0.331 30.010 30.300 0.069 0.000 0.884 250 R HN 0.540 nan 8.270 nan 0.000 0.447 251 M N -0.898 118.720 119.600 0.031 0.000 2.514 251 M HA 0.115 4.596 4.480 0.001 0.000 0.258 251 M C 1.637 177.937 176.300 -0.001 0.000 1.119 251 M CA 1.207 56.521 55.300 0.024 0.000 1.111 251 M CB -0.087 32.525 32.600 0.019 0.000 1.390 251 M HN -0.040 nan 8.290 nan 0.000 0.475 252 L N 0.405 121.620 121.223 -0.014 0.000 2.072 252 L HA -0.123 4.218 4.340 0.001 0.000 0.205 252 L C 2.591 179.448 176.870 -0.022 0.000 1.079 252 L CA 0.973 55.793 54.840 -0.035 0.000 0.752 252 L CB -0.558 41.467 42.059 -0.057 0.000 0.906 252 L HN 0.520 nan 8.230 nan 0.000 0.436 253 C N -0.309 118.994 119.300 0.004 0.000 2.429 253 C HA -0.159 4.302 4.460 0.001 0.000 0.277 253 C C 3.069 178.095 174.990 0.059 0.000 1.262 253 C CA 0.832 59.876 59.018 0.045 0.000 1.733 253 C CB -1.097 26.678 27.740 0.059 0.000 2.010 253 C HN 0.615 nan 8.230 nan 0.000 0.483 254 A N 0.116 122.962 122.820 0.044 0.000 2.014 254 A HA -0.117 4.204 4.320 0.001 0.000 0.218 254 A C 1.985 179.558 177.584 -0.018 0.000 1.163 254 A CA 1.865 53.924 52.037 0.036 0.000 0.652 254 A CB -0.405 18.636 19.000 0.068 0.000 0.808 254 A HN 0.595 nan 8.150 nan 0.000 0.449 255 E N 0.153 120.337 120.200 -0.027 0.000 2.005 255 E HA 0.009 4.360 4.350 0.001 0.000 0.191 255 E C 1.786 178.339 176.600 -0.079 0.000 0.987 255 E CA 1.629 57.999 56.400 -0.050 0.000 0.814 255 E CB -0.716 28.956 29.700 -0.046 0.000 0.772 255 E HN 0.295 nan 8.360 nan 0.000 0.453 256 G N -0.762 107.992 108.800 -0.077 0.000 3.141 256 G HA2 -0.006 3.955 3.960 0.001 0.000 0.218 256 G HA3 -0.006 3.955 3.960 0.001 0.000 0.218 256 G C -0.326 174.500 174.900 -0.123 0.000 1.170 256 G CA 0.195 45.242 45.100 -0.089 0.000 0.769 256 G HN 0.285 nan 8.290 nan 0.000 0.546 257 N N -0.315 118.273 118.700 -0.186 0.000 2.726 257 N HA -0.136 4.605 4.740 0.001 0.000 0.253 257 N C -0.427 175.068 175.510 -0.025 0.000 1.059 257 N CA 0.712 53.526 53.050 -0.394 0.000 0.701 257 N CB -1.392 36.744 38.487 -0.585 0.000 0.899 257 N HN 0.424 nan 8.380 nan 0.000 0.548 258 I N 0.345 121.007 120.570 0.153 0.000 2.354 258 I HA 0.165 4.336 4.170 0.001 0.000 0.292 258 I C 0.881 177.141 176.117 0.239 0.000 0.989 258 I CA -0.859 60.548 61.300 0.178 0.000 1.188 258 I CB 1.318 39.347 38.000 0.048 0.000 1.342 258 I HN 0.026 nan 8.210 nan 0.000 0.457 259 N N 4.428 123.212 118.700 0.139 0.000 2.359 259 N HA 0.011 4.752 4.740 0.001 0.000 0.261 259 N C 0.861 176.350 175.510 -0.035 0.000 1.267 259 N CA 0.567 53.581 53.050 -0.059 0.000 0.864 259 N CB 1.263 39.699 38.487 -0.085 0.000 1.063 259 N HN 0.763 nan 8.380 nan 0.000 0.474 260 A N 3.844 126.622 122.820 -0.070 0.000 1.877 260 A HA -0.205 4.116 4.320 0.001 0.000 0.216 260 A C 1.892 179.460 177.584 -0.027 0.000 1.186 260 A CA 1.551 53.568 52.037 -0.033 0.000 0.620 260 A CB -0.736 18.242 19.000 -0.037 0.000 0.822 260 A HN 0.869 nan 8.150 nan 0.000 0.443 261 Q N -0.276 119.499 119.800 -0.043 0.000 2.224 261 Q HA -0.204 4.137 4.340 0.001 0.000 0.203 261 Q C 2.043 178.034 176.000 -0.014 0.000 0.970 261 Q CA 1.363 57.150 55.803 -0.027 0.000 0.865 261 Q CB -0.206 28.510 28.738 -0.036 0.000 0.922 261 Q HN 0.748 nan 8.270 nan 0.000 0.445 262 N N 0.634 119.325 118.700 -0.015 0.000 2.104 262 N HA -0.183 4.558 4.740 0.001 0.000 0.190 262 N C 1.742 177.263 175.510 0.019 0.000 1.024 262 N CA 1.270 54.324 53.050 0.007 0.000 0.853 262 N CB -0.254 38.241 38.487 0.012 0.000 1.008 262 N HN 0.334 nan 8.380 nan 0.000 0.424 263 L N 0.438 121.665 121.223 0.007 0.000 2.072 263 L HA -0.009 4.332 4.340 0.001 0.000 0.205 263 L C 2.784 179.658 176.870 0.007 0.000 1.079 263 L CA 0.639 55.480 54.840 0.002 0.000 0.752 263 L CB -0.251 41.796 42.059 -0.020 0.000 0.906 263 L HN 0.136 nan 8.230 nan 0.000 0.436 264 R N -0.552 119.950 120.500 0.005 0.000 2.080 264 R HA -0.144 4.197 4.340 0.001 0.000 0.236 264 R C 1.991 178.299 176.300 0.014 0.000 1.137 264 R CA 2.083 58.188 56.100 0.008 0.000 0.943 264 R CB -0.585 29.718 30.300 0.005 0.000 0.846 264 R HN 0.310 nan 8.270 nan 0.000 0.431 265 T N -0.562 114.001 114.554 0.014 0.000 3.065 265 T HA 0.121 4.472 4.350 0.001 0.000 0.252 265 T C 0.771 175.488 174.700 0.029 0.000 1.099 265 T CA 0.390 62.501 62.100 0.018 0.000 1.063 265 T CB 0.332 69.207 68.868 0.012 0.000 0.948 265 T HN 0.513 nan 8.240 nan 0.000 0.506 266 G N 3.529 112.352 108.800 0.038 0.000 2.696 266 G HA2 -0.236 3.725 3.960 0.001 0.000 0.342 266 G HA3 -0.236 3.725 3.960 0.001 0.000 0.342 266 G C -0.213 174.727 174.900 0.067 0.000 0.100 266 G CA 0.521 45.659 45.100 0.064 0.000 1.213 266 G HN 0.588 nan 8.290 nan 0.000 0.552 267 K N -0.516 119.924 120.400 0.065 0.000 6.951 267 K HA -0.073 4.248 4.320 0.001 0.000 0.575 267 K C -0.174 176.494 176.600 0.114 0.000 2.580 267 K CA 0.592 56.921 56.287 0.069 0.000 2.030 267 K CB -0.436 32.091 32.500 0.045 0.000 2.303 267 K HN 1.315 nan 8.250 nan 0.000 0.183 268 L N 0.756 122.049 121.223 0.117 0.000 5.509 268 L HA -0.040 4.301 4.340 0.001 0.000 0.238 268 L C -0.734 176.227 176.870 0.152 0.000 1.157 268 L CA -0.455 54.489 54.840 0.173 0.000 0.823 268 L CB 1.103 43.363 42.059 0.335 0.000 1.529 268 L HN 0.770 nan 8.230 nan 0.000 0.295 269 T N 3.955 118.584 114.554 0.126 0.000 2.870 269 T HA 0.157 4.507 4.350 0.001 0.000 0.300 269 T C -1.554 173.227 174.700 0.135 0.000 0.989 269 T CA -1.095 61.064 62.100 0.098 0.000 1.139 269 T CB 0.889 69.802 68.868 0.074 0.000 0.920 269 T HN 0.400 nan 8.240 nan 0.000 0.537 270 P HA -0.175 nan 4.420 nan 0.000 0.218 270 P C 0.957 178.335 177.300 0.129 0.000 1.147 270 P CA 1.254 64.391 63.100 0.062 0.000 0.827 270 P CB 0.375 32.069 31.700 -0.010 0.000 0.778 271 E N -1.699 118.566 120.200 0.109 0.000 2.415 271 E HA -0.052 4.299 4.350 0.001 0.000 0.197 271 E C 1.496 178.162 176.600 0.111 0.000 1.007 271 E CA -0.030 56.430 56.400 0.100 0.000 0.890 271 E CB -0.175 29.561 29.700 0.059 0.000 0.891 271 E HN -0.008 nan 8.360 nan 0.000 0.496 272 D N -0.291 120.184 120.400 0.126 0.000 2.224 272 D HA -0.143 4.498 4.640 0.001 0.000 0.205 272 D C 1.139 177.520 176.300 0.135 0.000 0.965 272 D CA 0.586 54.653 54.000 0.111 0.000 0.852 272 D CB 0.025 40.892 40.800 0.111 0.000 0.947 272 D HN 0.304 nan 8.370 nan 0.000 0.494 273 W N 1.113 122.417 121.300 0.007 0.000 2.409 273 W HA 0.010 4.671 4.660 0.001 0.000 0.299 273 W C 1.903 178.423 176.519 0.000 0.000 1.203 273 W CA 1.526 58.874 57.345 0.004 0.000 1.298 273 W CB -0.563 28.898 29.460 0.003 0.000 1.127 273 W HN 0.027 nan 8.180 nan 0.000 0.528 274 G N 0.779 109.752 108.800 0.287 0.000 2.448 274 G HA2 -0.295 3.666 3.960 0.001 0.000 0.219 274 G HA3 -0.295 3.666 3.960 0.001 0.000 0.219 274 G C 1.621 176.557 174.900 0.060 0.000 1.127 274 G CA 0.880 46.080 45.100 0.166 0.000 0.766 274 G HN 0.242 nan 8.290 nan 0.000 0.552 275 K N -0.592 119.833 120.400 0.041 0.000 2.147 275 K HA 0.003 4.324 4.320 0.001 0.000 0.205 275 K C 2.324 178.895 176.600 -0.049 0.000 1.049 275 K CA 0.770 57.054 56.287 -0.005 0.000 0.936 275 K CB -0.164 32.337 32.500 0.003 0.000 0.722 275 K HN 0.302 nan 8.250 nan 0.000 0.446 276 L N 0.855 122.019 121.223 -0.098 0.000 2.093 276 L HA -0.140 4.201 4.340 0.001 0.000 0.208 276 L C 2.185 178.968 176.870 -0.145 0.000 1.085 276 L CA 2.157 56.892 54.840 -0.175 0.000 0.755 276 L CB -0.799 41.043 42.059 -0.363 0.000 0.904 276 L HN 0.275 nan 8.230 nan 0.000 0.435 277 T N -3.192 111.299 114.554 -0.104 0.000 2.867 277 T HA -0.192 4.159 4.350 0.001 0.000 0.268 277 T C 1.768 176.445 174.700 -0.039 0.000 1.057 277 T CA 1.628 63.696 62.100 -0.054 0.000 1.136 277 T CB -0.497 68.379 68.868 0.013 0.000 0.874 277 T HN 0.408 nan 8.240 nan 0.000 0.466 278 M N 1.076 120.655 119.600 -0.035 0.000 2.236 278 M HA 0.261 4.741 4.480 0.001 0.000 0.266 278 M C 2.976 179.249 176.300 -0.046 0.000 1.070 278 M CA 1.259 56.540 55.300 -0.033 0.000 1.137 278 M CB -0.594 31.990 32.600 -0.027 0.000 1.378 278 M HN 0.407 nan 8.290 nan 0.000 0.426 279 A N 0.966 123.751 122.820 -0.059 0.000 1.877 279 A HA -0.134 4.187 4.320 0.001 0.000 0.216 279 A C 2.225 179.771 177.584 -0.064 0.000 1.186 279 A CA 1.573 53.572 52.037 -0.064 0.000 0.620 279 A CB -0.625 18.331 19.000 -0.074 0.000 0.822 279 A HN 0.420 nan 8.150 nan 0.000 0.443 280 M N -0.658 118.898 119.600 -0.072 0.000 2.086 280 M HA -0.126 4.355 4.480 0.001 0.000 0.261 280 M C 2.351 178.618 176.300 -0.055 0.000 1.067 280 M CA 1.512 56.771 55.300 -0.069 0.000 1.116 280 M CB -0.704 31.850 32.600 -0.076 0.000 1.348 280 M HN 0.543 nan 8.290 nan 0.000 0.407 281 G N 0.179 108.951 108.800 -0.046 0.000 2.491 281 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 281 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 281 G C 1.562 176.438 174.900 -0.040 0.000 1.180 281 G CA 1.513 46.591 45.100 -0.038 0.000 0.774 281 G HN 0.582 nan 8.290 nan 0.000 0.562 282 S N 0.053 115.728 115.700 -0.043 0.000 2.428 282 S HA 0.068 4.539 4.470 0.001 0.000 0.230 282 S C 2.129 176.700 174.600 -0.050 0.000 1.014 282 S CA 1.031 59.204 58.200 -0.044 0.000 0.957 282 S CB -0.147 63.027 63.200 -0.044 0.000 0.784 282 S HN 0.154 nan 8.310 nan 0.000 0.499 283 L N 1.671 122.861 121.223 -0.055 0.000 2.341 283 L HA 0.264 4.605 4.340 0.001 0.000 0.214 283 L C 2.245 179.073 176.870 -0.070 0.000 1.115 283 L CA 0.887 55.691 54.840 -0.061 0.000 0.820 283 L CB -0.569 41.453 42.059 -0.062 0.000 0.944 283 L HN 0.216 nan 8.230 nan 0.000 0.452 284 S N -0.098 115.563 115.700 -0.065 0.000 2.406 284 S HA -0.078 4.393 4.470 0.001 0.000 0.228 284 S C 1.592 176.150 174.600 -0.070 0.000 1.020 284 S CA 0.983 59.141 58.200 -0.069 0.000 0.965 284 S CB -0.341 62.825 63.200 -0.056 0.000 0.798 284 S HN 0.523 nan 8.310 nan 0.000 0.488 285 N N 2.015 120.681 118.700 -0.058 0.000 2.331 285 N HA 0.116 4.857 4.740 0.001 0.000 0.180 285 N C 0.618 176.094 175.510 -0.057 0.000 1.019 285 N CA 0.462 53.482 53.050 -0.050 0.000 0.881 285 N CB -0.489 37.975 38.487 -0.038 0.000 0.972 285 N HN 0.377 nan 8.380 nan 0.000 0.435 286 A N 0.356 123.135 122.820 -0.068 0.000 2.483 286 A HA 0.467 4.788 4.320 0.001 0.000 0.238 286 A C 1.020 178.540 177.584 -0.107 0.000 1.070 286 A CA 0.175 52.169 52.037 -0.071 0.000 0.770 286 A CB 0.043 19.000 19.000 -0.071 0.000 1.008 286 A HN 0.221 nan 8.150 nan 0.000 0.497 287 G N 1.633 110.388 108.800 -0.075 0.000 3.515 287 G HA2 0.483 4.444 3.960 0.001 0.000 0.288 287 G HA3 0.483 4.444 3.960 0.001 0.000 0.288 287 G C -0.235 174.589 174.900 -0.127 0.000 1.012 287 G CA -0.287 44.757 45.100 -0.093 0.000 1.689 287 G HN 0.603 nan 8.290 nan 0.000 0.572 288 I N 1.221 121.622 120.570 -0.283 0.000 2.321 288 I HA 0.312 4.483 4.170 0.001 0.000 0.291 288 I C -0.837 175.044 176.117 -0.393 0.000 0.998 288 I CA -0.861 60.316 61.300 -0.205 0.000 1.227 288 I CB 1.279 39.197 38.000 -0.136 0.000 1.368 288 I HN 0.224 nan 8.210 nan 0.000 0.466 289 Y N 6.723 126.971 120.300 -0.087 0.000 2.328 289 Y HA 0.574 5.125 4.550 0.002 0.000 0.336 289 Y C 0.003 175.798 175.900 -0.176 0.000 0.960 289 Y CA -0.622 57.409 58.100 -0.115 0.000 1.134 289 Y CB 1.337 39.728 38.460 -0.115 0.000 1.166 289 Y HN 0.339 nan 8.280 nan 0.000 0.464 290 I N 2.897 123.436 120.570 -0.052 0.000 2.493 290 I HA 0.362 4.533 4.170 0.001 0.000 0.298 290 I C -0.919 175.117 176.117 -0.135 0.000 0.998 290 I CA -0.764 60.465 61.300 -0.118 0.000 1.137 290 I CB 1.914 39.869 38.000 -0.075 0.000 1.310 290 I HN 0.477 nan 8.210 nan 0.000 0.445 291 D N 4.242 124.516 120.400 -0.209 0.000 2.473 291 D HA 0.176 4.817 4.640 0.001 0.000 0.253 291 D C -0.483 175.816 176.300 -0.002 0.000 1.233 291 D CA -0.510 53.426 54.000 -0.106 0.000 0.908 291 D CB 1.105 41.820 40.800 -0.142 0.000 1.170 291 D HN 0.531 nan 8.370 nan 0.000 0.558 292 D N 1.941 122.352 120.400 0.018 0.000 2.460 292 D HA 0.027 4.668 4.640 0.001 0.000 0.229 292 D C -0.311 176.017 176.300 0.048 0.000 1.170 292 D CA -0.306 53.715 54.000 0.036 0.000 0.827 292 D CB -0.459 40.353 40.800 0.021 0.000 0.973 292 D HN 0.110 nan 8.370 nan 0.000 0.496 293 T N 3.554 118.150 114.554 0.070 0.000 2.761 293 T HA 0.065 4.415 4.350 0.001 0.000 0.287 293 T C -1.234 173.493 174.700 0.045 0.000 0.931 293 T CA -0.866 61.270 62.100 0.059 0.000 1.164 293 T CB 1.367 70.278 68.868 0.073 0.000 0.876 293 T HN 0.085 nan 8.240 nan 0.000 0.534 294 P HA -0.134 nan 4.420 nan 0.000 0.218 294 P C 0.425 177.714 177.300 -0.019 0.000 1.154 294 P CA 1.225 64.327 63.100 0.003 0.000 0.872 294 P CB 0.116 31.818 31.700 0.004 0.000 0.790 295 S N -1.445 114.245 115.700 -0.016 0.000 2.571 295 S HA 0.537 5.008 4.470 0.001 0.000 0.238 295 S C -0.421 174.162 174.600 -0.030 0.000 1.153 295 S CA -0.918 57.261 58.200 -0.035 0.000 1.141 295 S CB -0.230 62.948 63.200 -0.036 0.000 1.133 295 S HN -0.069 nan 8.310 nan 0.000 0.464 296 I N 2.941 123.487 120.570 -0.041 0.000 2.566 296 I HA 0.528 4.699 4.170 0.001 0.000 0.303 296 I C 0.695 176.767 176.117 -0.075 0.000 0.983 296 I CA -1.232 60.040 61.300 -0.048 0.000 1.235 296 I CB 1.188 39.154 38.000 -0.057 0.000 1.386 296 I HN 0.471 nan 8.210 nan 0.000 0.494 297 R N 2.744 123.203 120.500 -0.068 0.000 2.543 297 R HA 0.338 4.679 4.340 0.001 0.000 0.268 297 R C 0.815 177.051 176.300 -0.107 0.000 1.067 297 R CA -0.811 55.245 56.100 -0.073 0.000 1.142 297 R CB 0.769 31.039 30.300 -0.050 0.000 1.110 297 R HN 0.403 nan 8.270 nan 0.000 0.549 298 V N 0.814 120.665 119.914 -0.104 0.000 2.343 298 V HA -0.280 3.841 4.120 0.001 0.000 0.247 298 V C 2.475 178.500 176.094 -0.115 0.000 1.051 298 V CA 2.372 64.594 62.300 -0.129 0.000 1.036 298 V CB -0.840 30.924 31.823 -0.099 0.000 0.654 298 V HN 0.988 nan 8.190 nan 0.000 0.451 299 S N 0.483 116.137 115.700 -0.077 0.000 2.370 299 S HA -0.292 4.179 4.470 0.001 0.000 0.226 299 S C 1.649 176.217 174.600 -0.053 0.000 1.033 299 S CA 1.798 59.965 58.200 -0.056 0.000 1.011 299 S CB -0.660 62.517 63.200 -0.038 0.000 0.852 299 S HN 0.598 nan 8.310 nan 0.000 0.457 300 D N 1.932 122.299 120.400 -0.056 0.000 2.097 300 D HA 0.001 4.642 4.640 0.001 0.000 0.195 300 D C 1.992 178.267 176.300 -0.041 0.000 0.989 300 D CA 1.244 55.225 54.000 -0.032 0.000 0.827 300 D CB -0.498 40.290 40.800 -0.020 0.000 0.966 300 D HN 0.454 nan 8.370 nan 0.000 0.456 301 I N 0.726 121.198 120.570 -0.163 0.000 2.163 301 I HA -0.283 3.888 4.170 0.001 0.000 0.243 301 I C 2.665 178.715 176.117 -0.111 0.000 1.085 301 I CA 1.151 62.248 61.300 -0.338 0.000 1.347 301 I CB -0.157 37.425 38.000 -0.698 0.000 1.044 301 I HN -0.074 nan 8.210 nan 0.000 0.408 302 R N 0.518 120.959 120.500 -0.099 0.000 2.080 302 R HA -0.191 4.150 4.340 0.001 0.000 0.236 302 R C 2.448 178.744 176.300 -0.007 0.000 1.137 302 R CA 1.758 57.831 56.100 -0.045 0.000 0.943 302 R CB -0.524 29.746 30.300 -0.050 0.000 0.846 302 R HN 0.402 nan 8.270 nan 0.000 0.431 303 A N 1.188 124.005 122.820 -0.005 0.000 1.933 303 A HA -0.200 4.120 4.320 0.001 0.000 0.218 303 A C 1.918 179.516 177.584 0.024 0.000 1.175 303 A CA 1.501 53.541 52.037 0.005 0.000 0.628 303 A CB -0.245 18.756 19.000 0.002 0.000 0.814 303 A HN 0.246 nan 8.150 nan 0.000 0.444 304 K N -0.954 119.482 120.400 0.061 0.000 2.062 304 K HA -0.078 4.243 4.320 0.001 0.000 0.205 304 K C 2.053 178.693 176.600 0.067 0.000 1.051 304 K CA 1.314 57.651 56.287 0.084 0.000 0.941 304 K CB -0.382 32.222 32.500 0.174 0.000 0.719 304 K HN 0.557 nan 8.250 nan 0.000 0.440 305 C N 0.606 119.973 119.300 0.112 0.000 2.446 305 C HA -0.027 4.434 4.460 0.001 0.000 0.277 305 C C 2.598 177.593 174.990 0.008 0.000 1.275 305 C CA 0.371 59.432 59.018 0.073 0.000 1.727 305 C CB -0.731 27.075 27.740 0.110 0.000 2.010 305 C HN 0.446 nan 8.230 nan 0.000 0.486 306 R N 0.643 121.146 120.500 0.006 0.000 2.094 306 R HA -0.146 4.195 4.340 0.001 0.000 0.239 306 R C 2.514 178.799 176.300 -0.024 0.000 1.137 306 R CA 1.645 57.738 56.100 -0.012 0.000 0.943 306 R CB -0.214 30.080 30.300 -0.010 0.000 0.850 306 R HN 0.546 nan 8.270 nan 0.000 0.433 307 R N -0.034 120.452 120.500 -0.025 0.000 2.081 307 R HA -0.152 4.189 4.340 0.001 0.000 0.235 307 R C 2.298 178.558 176.300 -0.067 0.000 1.131 307 R CA 1.233 57.311 56.100 -0.037 0.000 0.960 307 R CB -0.464 29.818 30.300 -0.030 0.000 0.856 307 R HN 0.146 nan 8.270 nan 0.000 0.436 308 L N 1.680 122.847 121.223 -0.093 0.000 2.046 308 L HA -0.177 4.164 4.340 0.001 0.000 0.208 308 L C 2.179 178.961 176.870 -0.146 0.000 1.077 308 L CA 1.835 56.571 54.840 -0.174 0.000 0.747 308 L CB -0.425 41.491 42.059 -0.238 0.000 0.896 308 L HN 0.027 nan 8.230 nan 0.000 0.432 309 K N -0.776 119.571 120.400 -0.090 0.000 2.057 309 K HA -0.186 4.135 4.320 0.001 0.000 0.206 309 K C 1.775 178.343 176.600 -0.052 0.000 1.050 309 K CA 1.667 57.916 56.287 -0.063 0.000 0.935 309 K CB -0.043 32.434 32.500 -0.038 0.000 0.715 309 K HN 0.483 nan 8.250 nan 0.000 0.439 310 Q N -0.453 119.319 119.800 -0.047 0.000 2.415 310 Q HA -0.033 4.308 4.340 0.001 0.000 0.206 310 Q C 1.029 177.007 176.000 -0.037 0.000 0.946 310 Q CA 0.339 56.121 55.803 -0.035 0.000 0.951 310 Q CB 0.673 29.394 28.738 -0.028 0.000 1.026 310 Q HN 0.369 nan 8.270 nan 0.000 0.510 311 E N -1.267 118.901 120.200 -0.052 0.000 2.354 311 E HA 0.098 4.449 4.350 0.001 0.000 0.203 311 E C 0.965 177.537 176.600 -0.047 0.000 0.841 311 E CA 0.428 56.799 56.400 -0.049 0.000 1.046 311 E CB 0.604 30.267 29.700 -0.062 0.000 1.040 311 E HN 0.083 nan 8.360 nan 0.000 0.504 312 S N -1.020 114.638 115.700 -0.071 0.000 2.769 312 S HA 0.367 4.838 4.470 0.001 0.000 0.258 312 S C 0.057 174.637 174.600 -0.033 0.000 1.080 312 S CA 0.254 58.425 58.200 -0.048 0.000 0.943 312 S CB 2.052 65.209 63.200 -0.071 0.000 0.893 312 S HN 0.412 nan 8.310 nan 0.000 0.490 313 G N 1.763 110.530 108.800 -0.056 0.000 3.448 313 G HA2 -0.030 3.931 3.960 0.001 0.000 0.685 313 G HA3 -0.030 3.931 3.960 0.001 0.000 0.685 313 G C -1.139 173.742 174.900 -0.032 0.000 1.151 313 G CA -0.780 44.301 45.100 -0.032 0.000 1.023 313 G HN 0.326 nan 8.290 nan 0.000 0.499 314 L N 2.319 123.523 121.223 -0.032 0.000 2.331 314 L HA 0.861 5.202 4.340 0.001 0.000 0.275 314 L C 1.253 178.125 176.870 0.005 0.000 1.022 314 L CA 0.327 55.155 54.840 -0.020 0.000 0.812 314 L CB 1.815 43.856 42.059 -0.030 0.000 1.257 314 L HN 0.863 nan 8.230 nan 0.000 0.435 315 G N 3.632 112.445 108.800 0.021 0.000 2.633 315 G HA2 0.257 4.217 3.960 0.001 0.000 0.198 315 G HA3 0.257 4.217 3.960 0.001 0.000 0.198 315 G C 0.045 174.969 174.900 0.038 0.000 1.198 315 G CA -0.123 44.994 45.100 0.028 0.000 0.685 315 G HN 0.378 nan 8.290 nan 0.000 0.868 316 M N 0.884 120.511 119.600 0.044 0.000 2.446 316 M HA 0.541 5.022 4.480 0.001 0.000 0.294 316 M C -1.776 174.558 176.300 0.058 0.000 1.158 316 M CA -0.472 54.858 55.300 0.050 0.000 0.899 316 M CB 3.097 35.731 32.600 0.057 0.000 1.687 316 M HN -0.106 nan 8.290 nan 0.000 0.455 317 I N 2.501 123.110 120.570 0.064 0.000 2.406 317 I HA 0.523 4.693 4.170 0.001 0.000 0.290 317 I C -0.918 175.259 176.117 0.100 0.000 0.999 317 I CA -0.861 60.507 61.300 0.113 0.000 1.124 317 I CB 2.076 40.159 38.000 0.139 0.000 1.289 317 I HN 0.263 nan 8.210 nan 0.000 0.441 318 V N 7.402 127.397 119.914 0.136 0.000 2.483 318 V HA 0.484 4.605 4.120 0.001 0.000 0.297 318 V C -0.212 175.997 176.094 0.191 0.000 1.027 318 V CA -0.449 61.919 62.300 0.113 0.000 0.855 318 V CB 2.050 33.918 31.823 0.075 0.000 0.995 318 V HN 0.478 nan 8.190 nan 0.000 0.424 319 I N 3.411 124.073 120.570 0.153 0.000 2.362 319 I HA 0.364 4.535 4.170 0.001 0.000 0.289 319 I C -0.488 175.708 176.117 0.132 0.000 0.994 319 I CA -0.457 60.941 61.300 0.164 0.000 1.158 319 I CB 1.800 39.840 38.000 0.067 0.000 1.315 319 I HN 0.505 nan 8.210 nan 0.000 0.451 320 D N 7.763 128.248 120.400 0.142 0.000 2.336 320 D HA 0.101 4.742 4.640 0.001 0.000 0.249 320 D C -0.464 175.906 176.300 0.117 0.000 1.213 320 D CA 0.202 54.294 54.000 0.154 0.000 0.870 320 D CB 0.198 41.091 40.800 0.154 0.000 1.076 320 D HN 0.356 nan 8.370 nan 0.000 0.483 321 Y N 1.557 121.891 120.300 0.058 0.000 2.548 321 Y HA -0.314 4.237 4.550 0.002 0.000 0.064 321 Y C 0.395 176.310 175.900 0.025 0.000 1.730 321 Y CA 0.019 58.143 58.100 0.041 0.000 1.387 321 Y CB -0.926 37.559 38.460 0.041 0.000 2.032 321 Y HN 0.463 nan 8.280 nan 0.000 0.261 322 L N 2.766 124.081 121.223 0.152 0.000 2.027 322 L HA -0.239 4.102 4.340 0.001 0.000 0.206 322 L C 2.298 179.184 176.870 0.027 0.000 1.074 322 L CA 1.851 56.722 54.840 0.051 0.000 0.745 322 L CB -0.324 41.773 42.059 0.064 0.000 0.898 322 L HN 0.905 nan 8.230 nan 0.000 0.433 323 Q N -0.210 119.675 119.800 0.142 0.000 2.376 323 Q HA -0.206 4.135 4.340 0.001 0.000 0.211 323 Q C 2.062 178.058 176.000 -0.007 0.000 0.986 323 Q CA 1.333 57.210 55.803 0.123 0.000 0.886 323 Q CB -0.475 28.426 28.738 0.271 0.000 0.927 323 Q HN 0.574 nan 8.270 nan 0.000 0.457 324 L N 0.112 121.215 121.223 -0.199 0.000 2.375 324 L HA 0.140 4.481 4.340 0.001 0.000 0.215 324 L C 0.772 177.549 176.870 -0.154 0.000 1.108 324 L CA -0.148 54.532 54.840 -0.266 0.000 0.830 324 L CB 0.090 41.821 42.059 -0.547 0.000 0.959 324 L HN 0.095 nan 8.230 nan 0.000 0.457 325 I N 1.416 121.911 120.570 -0.125 0.000 2.587 325 I HA -0.073 4.098 4.170 0.001 0.000 0.284 325 I C 0.656 176.732 176.117 -0.067 0.000 1.134 325 I CA 0.108 61.350 61.300 -0.097 0.000 1.410 325 I CB 0.416 38.357 38.000 -0.098 0.000 1.392 325 I HN 0.265 nan 8.210 nan 0.000 0.545 326 Q N 5.678 125.442 119.800 -0.060 0.000 2.260 326 Q HA 0.592 4.933 4.340 0.001 0.000 0.242 326 Q C 0.309 176.285 176.000 -0.040 0.000 0.932 326 Q CA -0.817 54.961 55.803 -0.042 0.000 0.891 326 Q CB 1.282 30.000 28.738 -0.034 0.000 1.222 326 Q HN 0.686 nan 8.270 nan 0.000 0.453 327 G N 0.394 109.176 108.800 -0.030 0.000 2.516 327 G HA2 0.171 4.132 3.960 0.001 0.000 0.276 327 G HA3 0.171 4.132 3.960 0.001 0.000 0.276 327 G C 0.467 175.350 174.900 -0.027 0.000 1.390 327 G CA -0.298 44.785 45.100 -0.029 0.000 1.050 327 G HN 0.824 nan 8.290 nan 0.000 0.519 328 S N -1.161 114.525 115.700 -0.024 0.000 2.603 328 S HA 0.205 4.676 4.470 0.001 0.000 0.220 328 S C 1.405 175.995 174.600 -0.016 0.000 0.967 328 S CA 0.388 58.575 58.200 -0.021 0.000 0.920 328 S CB -0.038 63.150 63.200 -0.021 0.000 0.773 328 S HN 0.824 nan 8.310 nan 0.000 0.529 329 G N 1.454 110.245 108.800 -0.015 0.000 3.022 329 G HA2 0.569 4.530 3.960 0.001 0.000 0.157 329 G HA3 0.569 4.530 3.960 0.001 0.000 0.157 329 G C 0.121 175.015 174.900 -0.011 0.000 1.691 329 G CA -0.593 44.500 45.100 -0.011 0.000 1.079 329 G HN 0.267 nan 8.290 nan 0.000 0.549 339 V N 1.165 121.077 119.914 -0.003 0.000 2.515 339 V HA -0.119 4.002 4.120 0.001 0.000 0.250 339 V C 1.822 177.913 176.094 -0.004 0.000 1.058 339 V CA 2.709 65.008 62.300 -0.001 0.000 1.064 339 V CB -0.192 31.637 31.823 0.010 0.000 0.675 339 V HN 0.393 nan 8.190 nan 0.000 0.461 340 S N -0.105 115.592 115.700 -0.004 0.000 2.368 340 S HA -0.188 4.283 4.470 0.001 0.000 0.225 340 S C 1.740 176.333 174.600 -0.011 0.000 1.030 340 S CA 1.850 60.047 58.200 -0.005 0.000 0.999 340 S CB -0.282 62.915 63.200 -0.004 0.000 0.844 340 S HN 0.782 nan 8.310 nan 0.000 0.459 341 E N 0.684 120.876 120.200 -0.013 0.000 2.077 341 E HA -0.101 4.250 4.350 0.001 0.000 0.193 341 E C 1.963 178.548 176.600 -0.024 0.000 0.989 341 E CA 1.025 57.414 56.400 -0.018 0.000 0.800 341 E CB -0.280 29.410 29.700 -0.018 0.000 0.746 341 E HN 0.484 nan 8.360 nan 0.000 0.452 342 I N 0.738 121.292 120.570 -0.026 0.000 2.142 342 I HA -0.298 3.873 4.170 0.001 0.000 0.240 342 I C 2.709 178.805 176.117 -0.036 0.000 1.078 342 I CA 0.940 62.218 61.300 -0.036 0.000 1.343 342 I CB -0.408 37.570 38.000 -0.037 0.000 1.046 342 I HN 0.063 nan 8.210 nan 0.000 0.405 343 S N 0.651 116.336 115.700 -0.025 0.000 2.368 343 S HA -0.301 4.170 4.470 0.001 0.000 0.226 343 S C 2.284 176.869 174.600 -0.026 0.000 1.044 343 S CA 1.896 60.083 58.200 -0.023 0.000 1.062 343 S CB -0.335 62.857 63.200 -0.013 0.000 0.931 343 S HN 0.294 nan 8.310 nan 0.000 0.440 344 R N -0.008 120.479 120.500 -0.022 0.000 2.105 344 R HA -0.045 4.296 4.340 0.001 0.000 0.239 344 R C 2.616 178.901 176.300 -0.025 0.000 1.135 344 R CA 1.621 57.709 56.100 -0.021 0.000 0.967 344 R CB -0.584 29.706 30.300 -0.017 0.000 0.861 344 R HN 0.444 nan 8.270 nan 0.000 0.442 345 S N -0.121 115.560 115.700 -0.032 0.000 2.436 345 S HA 0.048 4.519 4.470 0.001 0.000 0.228 345 S C 1.764 176.337 174.600 -0.046 0.000 1.014 345 S CA 0.458 58.635 58.200 -0.038 0.000 0.950 345 S CB 0.039 63.212 63.200 -0.044 0.000 0.784 345 S HN 0.279 nan 8.310 nan 0.000 0.504 346 L N 0.833 122.027 121.223 -0.048 0.000 2.109 346 L HA -0.009 4.332 4.340 0.001 0.000 0.207 346 L C 2.533 179.378 176.870 -0.041 0.000 1.086 346 L CA 1.207 56.015 54.840 -0.053 0.000 0.760 346 L CB -0.411 41.615 42.059 -0.054 0.000 0.910 346 L HN 0.230 nan 8.230 nan 0.000 0.437 347 K N 0.894 121.274 120.400 -0.035 0.000 2.057 347 K HA -0.137 4.184 4.320 0.001 0.000 0.207 347 K C 2.005 178.590 176.600 -0.026 0.000 1.049 347 K CA 1.648 57.918 56.287 -0.029 0.000 0.931 347 K CB -0.399 32.087 32.500 -0.024 0.000 0.714 347 K HN 0.197 nan 8.250 nan 0.000 0.440 348 A N 1.096 123.900 122.820 -0.027 0.000 1.859 348 A HA -0.183 4.137 4.320 0.001 0.000 0.217 348 A C 2.180 179.746 177.584 -0.029 0.000 1.198 348 A CA 1.975 53.997 52.037 -0.026 0.000 0.629 348 A CB -1.077 17.908 19.000 -0.026 0.000 0.830 348 A HN 0.440 nan 8.150 nan 0.000 0.446 349 L N -0.201 121.001 121.223 -0.034 0.000 2.043 349 L HA -0.174 4.167 4.340 0.001 0.000 0.212 349 L C 2.574 179.429 176.870 -0.024 0.000 1.075 349 L CA 2.538 57.358 54.840 -0.033 0.000 0.752 349 L CB -0.827 41.205 42.059 -0.044 0.000 0.891 349 L HN 0.380 nan 8.230 nan 0.000 0.432 350 A N -0.352 122.454 122.820 -0.024 0.000 1.858 350 A HA -0.219 4.102 4.320 0.001 0.000 0.216 350 A C 2.458 180.032 177.584 -0.017 0.000 1.190 350 A CA 1.893 53.919 52.037 -0.018 0.000 0.617 350 A CB -0.617 18.369 19.000 -0.022 0.000 0.827 350 A HN 0.526 nan 8.150 nan 0.000 0.443 351 R N -0.811 119.676 120.500 -0.020 0.000 2.096 351 R HA -0.145 4.196 4.340 0.001 0.000 0.235 351 R C 2.334 178.617 176.300 -0.028 0.000 1.127 351 R CA 1.481 57.568 56.100 -0.022 0.000 0.968 351 R CB -0.263 30.022 30.300 -0.025 0.000 0.861 351 R HN 0.785 nan 8.270 nan 0.000 0.440 352 E N 0.471 120.653 120.200 -0.031 0.000 2.047 352 E HA -0.164 4.187 4.350 0.001 0.000 0.191 352 E C 1.238 177.821 176.600 -0.028 0.000 0.987 352 E CA 0.981 57.359 56.400 -0.036 0.000 0.799 352 E CB 0.194 29.873 29.700 -0.036 0.000 0.752 352 E HN 0.120 nan 8.360 nan 0.000 0.449 353 L N 1.157 122.368 121.223 -0.020 0.000 2.592 353 L HA 0.095 4.436 4.340 0.001 0.000 0.227 353 L C -0.050 176.814 176.870 -0.010 0.000 1.127 353 L CA 0.588 55.419 54.840 -0.014 0.000 0.884 353 L CB -0.072 41.983 42.059 -0.007 0.000 1.065 353 L HN 0.069 nan 8.230 nan 0.000 0.457 354 E N -0.606 119.588 120.200 -0.010 0.000 2.210 354 E HA -0.191 4.160 4.350 0.001 0.000 0.201 354 E C -0.686 175.917 176.600 0.004 0.000 1.339 354 E CA 0.020 56.418 56.400 -0.005 0.000 0.699 354 E CB -1.245 28.451 29.700 -0.006 0.000 1.126 354 E HN 0.109 nan 8.360 nan 0.000 0.355 355 V N 0.889 120.807 119.914 0.006 0.000 2.851 355 V HA 0.344 4.465 4.120 0.001 0.000 0.307 355 V C -2.145 173.956 176.094 0.012 0.000 1.129 355 V CA -1.721 60.588 62.300 0.015 0.000 0.932 355 V CB 2.460 34.292 31.823 0.016 0.000 1.024 355 V HN 0.058 nan 8.190 nan 0.000 0.426 356 P HA 0.130 nan 4.420 nan 0.000 0.267 356 P C -0.716 176.569 177.300 -0.024 0.000 1.209 356 P CA 0.216 63.316 63.100 -0.001 0.000 0.763 356 P CB 0.972 32.694 31.700 0.035 0.000 0.816 357 V N 6.310 126.195 119.914 -0.048 0.000 2.347 357 V HA 0.275 4.396 4.120 0.001 0.000 0.280 357 V C 0.706 176.745 176.094 -0.091 0.000 1.021 357 V CA -0.504 61.770 62.300 -0.043 0.000 0.847 357 V CB 0.938 32.743 31.823 -0.030 0.000 0.990 357 V HN 0.396 nan 8.190 nan 0.000 0.444 358 I N 4.937 125.456 120.570 -0.085 0.000 2.291 358 I HA 0.568 4.739 4.170 0.001 0.000 0.290 358 I C 0.539 176.637 176.117 -0.032 0.000 1.050 358 I CA -0.129 61.100 61.300 -0.117 0.000 1.245 358 I CB 1.189 39.102 38.000 -0.144 0.000 1.405 358 I HN 0.645 nan 8.210 nan 0.000 0.478 359 A N 7.916 130.716 122.820 -0.034 0.000 2.288 359 A HA 0.734 5.055 4.320 0.001 0.000 0.320 359 A C -0.410 177.194 177.584 0.034 0.000 1.217 359 A CA -0.529 51.513 52.037 0.009 0.000 0.840 359 A CB 0.680 19.676 19.000 -0.007 0.000 1.179 359 A HN 0.686 nan 8.150 nan 0.000 0.504 360 L N 1.811 123.086 121.223 0.085 0.000 2.395 360 L HA 0.556 4.897 4.340 0.001 0.000 0.269 360 L C 0.803 177.753 176.870 0.134 0.000 1.133 360 L CA -0.051 54.859 54.840 0.117 0.000 0.812 360 L CB 1.501 43.660 42.059 0.167 0.000 1.125 360 L HN 0.703 nan 8.230 nan 0.000 0.452 361 S N 1.357 117.119 115.700 0.103 0.000 2.595 361 S HA 0.450 4.920 4.470 0.001 0.000 0.281 361 S C -1.121 173.507 174.600 0.047 0.000 1.117 361 S CA -0.673 57.588 58.200 0.102 0.000 0.873 361 S CB 1.959 65.208 63.200 0.081 0.000 1.108 361 S HN 0.612 nan 8.310 nan 0.000 0.477 362 Q N 2.300 122.109 119.800 0.016 0.000 2.316 362 Q HA 0.615 4.956 4.340 0.001 0.000 0.264 362 Q C -1.197 174.798 176.000 -0.009 0.000 0.987 362 Q CA -0.596 55.167 55.803 -0.067 0.000 0.852 362 Q CB 1.285 29.897 28.738 -0.211 0.000 1.287 362 Q HN 0.704 nan 8.270 nan 0.000 0.448 363 L N 2.109 123.323 121.223 -0.015 0.000 2.395 363 L HA 0.361 4.702 4.340 0.001 0.000 0.269 363 L C 0.440 177.293 176.870 -0.029 0.000 1.133 363 L CA -0.470 54.363 54.840 -0.012 0.000 0.812 363 L CB 1.262 43.298 42.059 -0.038 0.000 1.125 363 L HN 0.752 nan 8.230 nan 0.000 0.452 364 S N 1.673 117.358 115.700 -0.026 0.000 2.608 364 S HA 0.182 4.653 4.470 0.001 0.000 0.261 364 S C 0.552 175.130 174.600 -0.037 0.000 1.314 364 S CA -0.566 57.618 58.200 -0.026 0.000 0.992 364 S CB 0.555 63.743 63.200 -0.020 0.000 0.935 364 S HN 0.575 nan 8.310 nan 0.000 0.564 365 R N 0.792 121.274 120.500 -0.030 0.000 2.823 365 R HA 0.201 4.542 4.340 0.001 0.000 0.250 365 R C 1.011 177.292 176.300 -0.032 0.000 1.332 365 R CA 0.038 56.120 56.100 -0.030 0.000 1.259 365 R CB -0.479 29.808 30.300 -0.023 0.000 1.225 365 R HN 0.603 nan 8.270 nan 0.000 0.545 366 S N -0.521 115.153 115.700 -0.042 0.000 2.421 366 S HA -0.060 4.410 4.470 0.001 0.000 0.224 366 S C 1.998 176.565 174.600 -0.055 0.000 1.035 366 S CA 0.526 58.697 58.200 -0.047 0.000 0.953 366 S CB 0.200 63.367 63.200 -0.054 0.000 0.810 366 S HN 0.145 nan 8.310 nan 0.000 0.497 367 V N 2.000 121.872 119.914 -0.069 0.000 2.324 367 V HA -0.196 3.925 4.120 0.001 0.000 0.250 367 V C 1.201 177.276 176.094 -0.032 0.000 1.060 367 V CA 1.494 63.753 62.300 -0.067 0.000 1.042 367 V CB -0.779 31.003 31.823 -0.069 0.000 0.650 367 V HN 0.467 nan 8.190 nan 0.000 0.450 375 P HA 0.253 nan 4.420 nan 0.000 0.272 375 P C -0.649 176.243 177.300 -0.680 0.000 1.223 375 P CA -0.175 62.585 63.100 -0.566 0.000 0.784 375 P CB 0.911 32.174 31.700 -0.729 0.000 0.923 376 M N -0.470 118.696 119.600 -0.723 0.000 3.213 376 M HA 0.368 4.849 4.480 0.001 0.000 0.278 376 M C 0.591 176.794 176.300 -0.161 0.000 1.332 376 M CA -1.029 54.066 55.300 -0.341 0.000 0.810 376 M CB 0.746 33.263 32.600 -0.139 0.000 1.676 376 M HN -0.133 nan 8.290 nan 0.000 0.463 377 M N 1.069 120.750 119.600 0.135 0.000 2.149 377 M HA -0.098 4.383 4.480 0.001 0.000 0.261 377 M C 2.246 178.606 176.300 0.101 0.000 1.064 377 M CA 2.596 58.021 55.300 0.208 0.000 1.102 377 M CB -1.610 31.073 32.600 0.138 0.000 1.369 377 M HN 1.005 nan 8.290 nan 0.000 0.408 378 S N -0.271 115.440 115.700 0.020 0.000 2.474 378 S HA -0.128 4.343 4.470 0.001 0.000 0.235 378 S C 1.237 175.827 174.600 -0.015 0.000 0.997 378 S CA 1.138 59.338 58.200 0.000 0.000 0.949 378 S CB -0.403 62.786 63.200 -0.019 0.000 0.766 378 S HN 0.394 nan 8.310 nan 0.000 0.517 379 D N 1.773 122.140 120.400 -0.056 0.000 2.347 379 D HA 0.101 4.742 4.640 0.001 0.000 0.215 379 D C 1.517 177.815 176.300 -0.003 0.000 0.976 379 D CA 0.912 54.867 54.000 -0.076 0.000 0.884 379 D CB -0.076 40.605 40.800 -0.198 0.000 0.915 379 D HN 0.826 nan 8.370 nan 0.000 0.526 380 I N -3.249 117.362 120.570 0.068 0.000 4.240 380 I HA 0.339 4.509 4.170 0.001 0.000 0.331 380 I C 1.785 177.942 176.117 0.065 0.000 1.381 380 I CA -0.369 60.987 61.300 0.094 0.000 1.136 380 I CB 0.536 38.636 38.000 0.167 0.000 1.137 380 I HN -0.293 nan 8.210 nan 0.000 0.411 381 R N 2.108 122.638 120.500 0.051 0.000 2.161 381 R HA 0.063 4.404 4.340 0.001 0.000 0.213 381 R C 1.830 178.142 176.300 0.021 0.000 1.055 381 R CA 1.246 57.367 56.100 0.035 0.000 0.996 381 R CB -0.200 30.118 30.300 0.030 0.000 0.901 381 R HN 0.346 nan 8.270 nan 0.000 0.456 382 E N -0.439 119.770 120.200 0.015 0.000 2.418 382 E HA 0.017 4.368 4.350 0.001 0.000 0.197 382 E C 0.115 176.723 176.600 0.013 0.000 1.026 382 E CA 0.587 56.993 56.400 0.009 0.000 0.862 382 E CB 0.256 29.957 29.700 0.001 0.000 0.799 382 E HN 0.078 nan 8.360 nan 0.000 0.518 383 S N 0.495 116.208 115.700 0.021 0.000 2.751 383 S HA 0.313 4.784 4.470 0.001 0.000 0.247 383 S C 0.541 175.158 174.600 0.027 0.000 1.103 383 S CA -0.172 58.043 58.200 0.025 0.000 1.090 383 S CB 1.055 64.273 63.200 0.031 0.000 0.928 383 S HN 0.278 nan 8.310 nan 0.000 0.502 384 G N 1.281 110.095 108.800 0.023 0.000 2.583 384 G HA2 0.280 4.241 3.960 0.001 0.000 0.275 384 G HA3 0.280 4.241 3.960 0.001 0.000 0.275 384 G C 0.169 175.078 174.900 0.014 0.000 1.342 384 G CA -0.323 44.789 45.100 0.020 0.000 1.030 384 G HN 0.352 nan 8.290 nan 0.000 0.520 385 S N -0.551 115.154 115.700 0.009 0.000 2.979 385 S HA 0.194 4.665 4.470 0.001 0.000 0.210 385 S C 1.747 176.351 174.600 0.006 0.000 1.364 385 S CA -0.669 57.536 58.200 0.008 0.000 1.208 385 S CB -0.858 62.344 63.200 0.004 0.000 1.167 385 S HN 0.428 nan 8.310 nan 0.000 0.519 386 I N 0.363 120.939 120.570 0.011 0.000 2.394 386 I HA -0.116 4.054 4.170 0.001 0.000 0.251 386 I C 2.406 178.522 176.117 -0.001 0.000 1.136 386 I CA 0.983 62.285 61.300 0.004 0.000 1.425 386 I CB -0.340 37.667 38.000 0.011 0.000 1.079 386 I HN 0.496 nan 8.210 nan 0.000 0.425 387 E N 1.343 121.549 120.200 0.009 0.000 2.086 387 E HA -0.340 4.011 4.350 0.001 0.000 0.200 387 E C 2.189 178.787 176.600 -0.003 0.000 1.012 387 E CA 1.994 58.399 56.400 0.008 0.000 0.812 387 E CB 0.040 29.754 29.700 0.023 0.000 0.743 387 E HN 0.519 nan 8.360 nan 0.000 0.453 388 Q N 0.134 119.934 119.800 -0.001 0.000 2.033 388 Q HA -0.100 4.241 4.340 0.001 0.000 0.196 388 Q C 1.957 177.951 176.000 -0.009 0.000 0.970 388 Q CA 1.572 57.373 55.803 -0.003 0.000 0.828 388 Q CB 0.122 28.860 28.738 -0.001 0.000 0.895 388 Q HN 0.306 nan 8.270 nan 0.000 0.440 389 D N 0.793 121.187 120.400 -0.010 0.000 2.158 389 D HA -0.111 4.530 4.640 0.001 0.000 0.197 389 D C 0.148 176.436 176.300 -0.021 0.000 0.995 389 D CA 1.072 55.063 54.000 -0.015 0.000 0.846 389 D CB -0.239 40.551 40.800 -0.016 0.000 0.941 389 D HN 0.248 nan 8.370 nan 0.000 0.456 390 A N 1.401 124.205 122.820 -0.027 0.000 2.409 390 A HA 0.140 4.461 4.320 0.001 0.000 0.262 390 A C 0.454 178.018 177.584 -0.033 0.000 1.113 390 A CA -0.381 51.632 52.037 -0.039 0.000 0.790 390 A CB 0.383 19.350 19.000 -0.054 0.000 1.046 390 A HN 0.004 nan 8.150 nan 0.000 0.496 391 D N 1.031 121.412 120.400 -0.031 0.000 2.339 391 D HA 0.192 4.832 4.640 0.001 0.000 0.217 391 D C 0.150 176.437 176.300 -0.021 0.000 1.050 391 D CA 0.294 54.283 54.000 -0.019 0.000 0.856 391 D CB 0.130 40.925 40.800 -0.008 0.000 0.922 391 D HN 0.423 nan 8.370 nan 0.000 0.518 392 I N -0.012 120.532 120.570 -0.043 0.000 2.651 392 I HA 0.302 4.473 4.170 0.001 0.000 0.287 392 I C -2.047 174.008 176.117 -0.103 0.000 1.244 392 I CA -0.898 60.372 61.300 -0.049 0.000 1.061 392 I CB 1.773 39.770 38.000 -0.006 0.000 1.286 392 I HN -0.321 nan 8.210 nan 0.000 0.434 393 V N 6.975 126.800 119.914 -0.148 0.000 2.409 393 V HA 0.852 4.973 4.120 0.001 0.000 0.291 393 V C 0.124 175.977 176.094 -0.402 0.000 1.020 393 V CA -0.352 61.781 62.300 -0.279 0.000 0.848 393 V CB 1.423 33.056 31.823 -0.316 0.000 0.990 393 V HN 0.804 nan 8.190 nan 0.000 0.430 394 A N 5.210 127.776 122.820 -0.424 0.000 2.343 394 A HA 0.914 5.235 4.320 0.001 0.000 0.316 394 A C -1.059 176.249 177.584 -0.460 0.000 1.104 394 A CA -0.405 51.410 52.037 -0.370 0.000 0.768 394 A CB 0.842 19.761 19.000 -0.135 0.000 1.213 394 A HN 0.640 nan 8.150 nan 0.000 0.456 395 F N 1.282 121.187 119.950 -0.075 0.000 2.470 395 F HA 0.612 5.140 4.527 0.001 0.000 0.329 395 F C 0.124 175.844 175.800 -0.133 0.000 1.072 395 F CA -0.792 57.156 58.000 -0.085 0.000 0.989 395 F CB 1.727 40.694 39.000 -0.055 0.000 1.193 395 F HN 0.304 nan 8.300 nan 0.000 0.481 396 L N 2.643 123.917 121.223 0.086 0.000 2.322 396 L HA 0.502 4.843 4.340 0.001 0.000 0.281 396 L C -1.159 175.760 176.870 0.081 0.000 1.014 396 L CA -0.879 53.934 54.840 -0.045 0.000 0.815 396 L CB 1.809 43.757 42.059 -0.185 0.000 1.247 396 L HN 0.640 nan 8.230 nan 0.000 0.421 410 N N 3.799 122.518 118.700 0.031 0.000 2.558 410 N HA 0.121 4.862 4.740 0.001 0.000 0.281 410 N C -0.157 175.408 175.510 0.091 0.000 1.219 410 N CA -0.246 52.840 53.050 0.060 0.000 0.942 410 N CB 0.405 38.923 38.487 0.052 0.000 1.241 410 N HN 0.470 nan 8.380 nan 0.000 0.511 411 I N 0.413 121.022 120.570 0.065 0.000 2.460 411 I HA 0.392 4.563 4.170 0.001 0.000 0.298 411 I C -0.708 175.448 176.117 0.064 0.000 0.989 411 I CA -0.947 60.400 61.300 0.079 0.000 1.173 411 I CB 1.616 39.651 38.000 0.058 0.000 1.338 411 I HN 0.017 nan 8.210 nan 0.000 0.456 412 I N 6.277 126.909 120.570 0.104 0.000 2.740 412 I HA 0.424 4.595 4.170 0.001 0.000 0.303 412 I C -0.785 175.364 176.117 0.054 0.000 1.044 412 I CA -0.498 60.848 61.300 0.077 0.000 1.064 412 I CB 2.136 40.253 38.000 0.194 0.000 1.249 412 I HN 0.623 nan 8.210 nan 0.000 0.433 413 E N 6.328 126.550 120.200 0.038 0.000 2.183 413 E HA 0.481 4.832 4.350 0.001 0.000 0.271 413 E C -1.020 175.562 176.600 -0.030 0.000 0.919 413 E CA -0.644 55.782 56.400 0.044 0.000 0.781 413 E CB 2.717 32.501 29.700 0.139 0.000 1.140 413 E HN 0.374 nan 8.360 nan 0.000 0.402 414 I N 4.251 124.777 120.570 -0.073 0.000 2.388 414 I HA 0.263 4.434 4.170 0.001 0.000 0.281 414 I C -0.370 175.718 176.117 -0.048 0.000 1.046 414 I CA -0.393 60.819 61.300 -0.147 0.000 1.187 414 I CB 0.536 38.399 38.000 -0.229 0.000 1.351 414 I HN 0.343 nan 8.210 nan 0.000 0.472 415 I N 6.783 127.356 120.570 0.005 0.000 2.322 415 I HA 0.220 4.390 4.170 0.001 0.000 0.292 415 I C 0.209 176.327 176.117 0.003 0.000 1.060 415 I CA -0.147 61.182 61.300 0.048 0.000 1.309 415 I CB 0.541 38.623 38.000 0.137 0.000 1.415 415 I HN 0.412 nan 8.210 nan 0.000 0.492 416 I N 6.574 127.141 120.570 -0.005 0.000 2.269 416 I HA 0.164 4.335 4.170 0.001 0.000 0.293 416 I C 1.257 177.362 176.117 -0.020 0.000 1.106 416 I CA 0.096 61.377 61.300 -0.031 0.000 1.248 416 I CB 1.154 39.159 38.000 0.009 0.000 1.444 416 I HN 0.724 nan 8.210 nan 0.000 0.497 417 A N 6.219 129.002 122.820 -0.062 0.000 2.132 417 A HA 0.106 4.427 4.320 0.001 0.000 0.213 417 A C 0.936 178.511 177.584 -0.016 0.000 1.154 417 A CA 0.652 52.691 52.037 0.004 0.000 0.753 417 A CB 0.203 19.262 19.000 0.099 0.000 0.826 417 A HN 0.643 nan 8.150 nan 0.000 0.469 418 K N -0.180 120.187 120.400 -0.056 0.000 2.535 418 K HA 0.460 4.781 4.320 0.001 0.000 0.251 418 K C -1.745 174.840 176.600 -0.025 0.000 0.942 418 K CA -0.424 55.843 56.287 -0.034 0.000 0.798 418 K CB 1.365 33.839 32.500 -0.044 0.000 1.267 418 K HN 0.238 nan 8.250 nan 0.000 0.434 419 Q N 4.110 123.909 119.800 -0.002 0.000 2.280 419 Q HA 0.261 4.601 4.340 0.001 0.000 0.259 419 Q C -0.181 175.828 176.000 0.015 0.000 0.964 419 Q CA -0.520 55.290 55.803 0.013 0.000 0.844 419 Q CB 1.468 30.224 28.738 0.030 0.000 1.334 419 Q HN 0.711 nan 8.270 nan 0.000 0.423 420 R N 1.687 122.196 120.500 0.015 0.000 2.092 420 R HA -0.016 4.325 4.340 0.001 0.000 0.231 420 R C 0.124 176.436 176.300 0.019 0.000 1.119 420 R CA 0.981 57.090 56.100 0.015 0.000 0.970 420 R CB 0.241 30.548 30.300 0.012 0.000 0.864 420 R HN 0.391 nan 8.270 nan 0.000 0.440 421 N N 0.130 118.845 118.700 0.025 0.000 2.804 421 N HA 0.241 4.982 4.740 0.001 0.000 0.251 421 N C -1.233 174.295 175.510 0.029 0.000 1.250 421 N CA 0.133 53.199 53.050 0.025 0.000 0.820 421 N CB 1.234 39.737 38.487 0.026 0.000 1.156 421 N HN 0.306 nan 8.380 nan 0.000 0.512 422 G N 1.659 110.474 108.800 0.026 0.000 2.356 422 G HA2 0.119 4.080 3.960 0.001 0.000 0.300 422 G HA3 0.119 4.080 3.960 0.001 0.000 0.300 422 G C -3.309 171.606 174.900 0.025 0.000 1.331 422 G CA -0.841 44.276 45.100 0.027 0.000 0.905 422 G HN 0.181 nan 8.290 nan 0.000 0.587 423 P HA 0.591 nan 4.420 nan 0.000 0.279 423 P C -0.723 176.591 177.300 0.023 0.000 1.282 423 P CA -0.397 62.717 63.100 0.023 0.000 0.788 423 P CB 1.583 33.298 31.700 0.026 0.000 1.139 424 V N -0.491 119.436 119.914 0.021 0.000 2.577 424 V HA 0.758 4.879 4.120 0.001 0.000 0.303 424 V C 0.554 176.661 176.094 0.022 0.000 1.042 424 V CA 0.142 62.454 62.300 0.020 0.000 0.872 424 V CB 1.235 33.069 31.823 0.018 0.000 0.998 424 V HN 1.093 nan 8.190 nan 0.000 0.423 425 G N 3.218 112.033 108.800 0.024 0.000 2.364 425 G HA2 0.504 4.465 3.960 0.001 0.000 0.286 425 G HA3 0.504 4.465 3.960 0.001 0.000 0.286 425 G C -1.065 173.849 174.900 0.024 0.000 1.241 425 G CA -0.225 44.890 45.100 0.025 0.000 0.887 425 G HN 0.482 nan 8.290 nan 0.000 0.484 426 T N 0.589 115.156 114.554 0.022 0.000 2.815 426 T HA 0.578 4.929 4.350 0.001 0.000 0.289 426 T C -0.504 174.206 174.700 0.017 0.000 1.000 426 T CA -0.260 61.851 62.100 0.019 0.000 0.958 426 T CB 1.627 70.508 68.868 0.021 0.000 0.944 426 T HN 0.497 nan 8.240 nan 0.000 0.442 427 V N 3.919 123.839 119.914 0.010 0.000 2.509 427 V HA 0.380 4.501 4.120 0.001 0.000 0.284 427 V C 0.136 176.231 176.094 0.001 0.000 1.047 427 V CA -0.558 61.748 62.300 0.009 0.000 0.952 427 V CB 1.633 33.465 31.823 0.015 0.000 0.988 427 V HN 0.788 nan 8.190 nan 0.000 0.469 428 Q N 3.955 123.764 119.800 0.015 0.000 2.293 428 Q HA 0.698 5.039 4.340 0.001 0.000 0.261 428 Q C -1.403 174.618 176.000 0.036 0.000 0.960 428 Q CA -0.402 55.417 55.803 0.025 0.000 0.882 428 Q CB 1.645 30.404 28.738 0.036 0.000 1.275 428 Q HN 0.635 nan 8.270 nan 0.000 0.445 429 L N 1.339 122.592 121.223 0.051 0.000 2.333 429 L HA 0.847 5.188 4.340 0.001 0.000 0.263 429 L C -0.847 176.130 176.870 0.179 0.000 1.014 429 L CA -1.218 53.683 54.840 0.101 0.000 0.820 429 L CB 2.087 44.175 42.059 0.047 0.000 1.352 429 L HN 0.631 nan 8.230 nan 0.000 0.421 430 A N 1.286 124.221 122.820 0.192 0.000 2.292 430 A HA 0.639 4.960 4.320 0.001 0.000 0.319 430 A C -1.309 176.388 177.584 0.188 0.000 1.206 430 A CA -0.252 51.886 52.037 0.169 0.000 0.835 430 A CB 0.750 19.815 19.000 0.107 0.000 1.164 430 A HN 0.478 nan 8.150 nan 0.000 0.505 431 F N 3.082 122.991 119.950 -0.069 0.000 2.427 431 F HA 0.666 5.194 4.527 0.001 0.000 0.346 431 F C -0.552 175.141 175.800 -0.178 0.000 1.120 431 F CA -1.076 56.744 58.000 -0.301 0.000 1.033 431 F CB 1.149 39.880 39.000 -0.448 0.000 1.126 431 F HN 0.425 nan 8.300 nan 0.000 0.462 432 I N 7.943 128.013 120.570 -0.834 0.000 2.371 432 I HA 0.230 4.401 4.170 0.001 0.000 0.282 432 I C 0.829 176.416 176.117 -0.882 0.000 1.031 432 I CA -0.555 60.392 61.300 -0.587 0.000 1.180 432 I CB 1.426 39.320 38.000 -0.177 0.000 1.336 432 I HN 0.692 nan 8.210 nan 0.000 0.467 433 K N 3.460 123.440 120.400 -0.700 0.000 2.074 433 K HA -0.220 4.101 4.320 0.001 0.000 0.209 433 K C 1.349 177.735 176.600 -0.358 0.000 1.048 433 K CA 1.708 57.719 56.287 -0.459 0.000 0.926 433 K CB 0.057 32.480 32.500 -0.127 0.000 0.713 433 K HN 0.532 nan 8.250 nan 0.000 0.444 434 E N -0.189 119.765 120.200 -0.409 0.000 2.118 434 E HA -0.169 4.182 4.350 0.001 0.000 0.195 434 E C 1.243 177.520 176.600 -0.540 0.000 0.992 434 E CA 1.429 57.520 56.400 -0.515 0.000 0.804 434 E CB -0.106 29.144 29.700 -0.750 0.000 0.741 434 E HN 0.487 nan 8.360 nan 0.000 0.458 435 Y N -1.283 118.906 120.300 -0.185 0.000 2.467 435 Y HA 0.252 4.803 4.550 0.001 0.000 0.250 435 Y C 0.350 176.157 175.900 -0.155 0.000 1.155 435 Y CA -0.260 57.755 58.100 -0.141 0.000 1.249 435 Y CB 0.279 38.665 38.460 -0.122 0.000 1.146 435 Y HN -0.111 nan 8.280 nan 0.000 0.524 436 N N 1.408 120.008 118.700 -0.167 0.000 2.738 436 N HA -0.215 4.526 4.740 0.001 0.000 0.249 436 N C -0.921 174.538 175.510 -0.085 0.000 1.047 436 N CA 0.487 53.448 53.050 -0.148 0.000 0.707 436 N CB -0.557 37.957 38.487 0.045 0.000 0.937 436 N HN 0.299 nan 8.380 nan 0.000 0.545 437 K N 0.181 120.411 120.400 -0.284 0.000 2.328 437 K HA 0.484 4.805 4.320 0.001 0.000 0.246 437 K C -0.830 175.679 176.600 -0.151 0.000 0.955 437 K CA -0.633 55.621 56.287 -0.054 0.000 0.817 437 K CB 0.935 33.451 32.500 0.026 0.000 1.208 437 K HN 0.018 nan 8.250 nan 0.000 0.432 438 F N 1.300 121.425 119.950 0.292 0.000 2.444 438 F HA 0.372 4.900 4.527 0.001 0.000 0.342 438 F C 0.001 176.001 175.800 0.333 0.000 1.121 438 F CA -0.741 57.428 58.000 0.282 0.000 0.997 438 F CB 1.611 40.715 39.000 0.174 0.000 1.130 438 F HN 0.010 nan 8.300 nan 0.000 0.454 439 V N 2.442 122.582 119.914 0.376 0.000 3.046 439 V HA 0.413 4.533 4.120 0.001 0.000 0.316 439 V C -0.009 176.256 176.094 0.285 0.000 1.104 439 V CA -1.227 61.271 62.300 0.329 0.000 1.006 439 V CB 1.849 33.775 31.823 0.172 0.000 1.058 439 V HN 0.621 nan 8.190 nan 0.000 0.440 440 N N 0.412 119.271 118.700 0.266 0.000 2.250 440 N HA 0.435 5.176 4.740 0.001 0.000 0.256 440 N C -0.476 175.111 175.510 0.128 0.000 1.302 440 N CA -0.040 53.131 53.050 0.201 0.000 0.894 440 N CB 0.161 38.747 38.487 0.166 0.000 1.067 440 N HN 0.509 nan 8.380 nan 0.000 0.487 441 L N 0.000 121.280 121.223 0.095 0.000 2.949 441 L HA 0.000 4.341 4.340 0.001 0.000 0.249 441 L CA 0.000 54.881 54.840 0.068 0.000 0.813 441 L CB 0.000 42.097 42.059 0.063 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502