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 3e77_1_A DATA FIRST_RESID 8 DATA SEQUENCE TENLYFQSML PHSVLLEIQK ELLDYKGVGI SVLEMSHRSS DFAKIINNTE DATA SEQUENCE NLVRELLAVP DNYKVIFLQG GGCGQFSAVP LNLIGLKAGR CADYVVTGAW DATA SEQUENCE SAKAAEEAKK FGTINIVHPK LGSYTKIPDP STWNLNPDAS YVYYCANETV DATA SEQUENCE HGVEFDFIPD VKGAVLVCDM SSNFLSKPVD VSKFGVIFAG AQKNVGSAGV DATA SEQUENCE TVVIVRDDLL GFALRECPSV LEYKVQAGNS SLYNTPPCFS IYVMGLVLEW DATA SEQUENCE IKNNGGAAAM EKLSSIKSQT IYEIIDNSQG FYVCPVEPQN RSKMNIPFRI DATA SEQUENCE GNAKGDDALE KRFLDKALEL NMLSLKGHRS VGGIRASLYN AVTIEDVQKL DATA SEQUENCE AAFMKKFLEM HQL 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.686 174.700 -0.024 0.000 1.109 8 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 8 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 9 E N 1.628 121.812 120.200 -0.027 0.000 2.250 9 E HA 0.480 4.830 4.350 0.000 0.000 0.269 9 E C -0.370 176.195 176.600 -0.057 0.000 1.018 9 E CA -1.040 55.346 56.400 -0.025 0.000 0.873 9 E CB 0.895 30.586 29.700 -0.015 0.000 1.134 9 E HN 0.571 nan 8.360 nan 0.000 0.403 10 N N 1.545 120.207 118.700 -0.062 0.000 2.509 10 N HA 0.275 5.015 4.740 0.000 0.000 0.287 10 N C -0.919 174.475 175.510 -0.192 0.000 1.121 10 N CA -0.410 52.525 53.050 -0.193 0.000 0.977 10 N CB 0.875 39.155 38.487 -0.346 0.000 1.167 10 N HN 0.213 nan 8.380 nan 0.000 0.476 11 L N 2.385 123.433 121.223 -0.292 0.000 2.305 11 L HA 0.368 4.708 4.340 0.000 0.000 0.284 11 L C -1.358 175.269 176.870 -0.404 0.000 1.013 11 L CA -0.467 54.204 54.840 -0.280 0.000 0.819 11 L CB 0.458 42.397 42.059 -0.199 0.000 1.227 11 L HN 0.422 nan 8.230 nan 0.000 0.417 12 Y N 4.452 124.545 120.300 -0.345 0.000 2.345 12 Y HA 0.375 4.925 4.550 0.000 0.000 0.331 12 Y C -0.567 175.124 175.900 -0.348 0.000 0.959 12 Y CA -0.334 57.634 58.100 -0.220 0.000 1.204 12 Y CB 1.035 39.430 38.460 -0.109 0.000 1.135 12 Y HN 0.390 nan 8.280 nan 0.000 0.477 13 F N 4.067 124.118 119.950 0.169 0.000 2.541 13 F HA 0.306 4.833 4.527 0.000 0.000 0.351 13 F C 0.370 176.271 175.800 0.169 0.000 1.209 13 F CA -0.334 57.745 58.000 0.130 0.000 1.277 13 F CB -0.087 38.955 39.000 0.070 0.000 1.632 13 F HN 0.474 nan 8.300 nan 0.000 0.619 14 Q N -0.932 119.045 119.800 0.296 0.000 2.814 14 Q HA 0.527 4.867 4.340 0.000 0.000 0.322 14 Q C -1.019 175.181 176.000 0.334 0.000 0.861 14 Q CA -1.320 54.681 55.803 0.328 0.000 0.773 14 Q CB 1.216 30.088 28.738 0.223 0.000 1.423 14 Q HN 0.187 nan 8.270 nan 0.000 0.495 15 S N 0.854 116.663 115.700 0.182 0.000 2.564 15 S HA 0.684 5.154 4.470 0.000 0.000 0.278 15 S C 0.003 174.554 174.600 -0.082 0.000 1.333 15 S CA -0.346 57.810 58.200 -0.073 0.000 1.048 15 S CB 0.375 63.327 63.200 -0.412 0.000 0.900 15 S HN 0.512 nan 8.310 nan 0.000 0.505 16 M N 1.744 121.284 119.600 -0.100 0.000 2.603 16 M HA 0.386 4.866 4.480 0.000 0.000 0.275 16 M C -1.340 174.856 176.300 -0.173 0.000 1.226 16 M CA -0.423 54.800 55.300 -0.129 0.000 0.870 16 M CB 1.854 34.398 32.600 -0.092 0.000 1.716 16 M HN 0.662 nan 8.290 nan 0.000 0.482 17 L N 2.718 123.824 121.223 -0.195 0.000 2.334 17 L HA 0.446 4.786 4.340 0.000 0.000 0.277 17 L C -1.896 174.778 176.870 -0.327 0.000 1.075 17 L CA -1.745 52.935 54.840 -0.268 0.000 0.804 17 L CB 0.671 42.593 42.059 -0.228 0.000 1.174 17 L HN 0.345 nan 8.230 nan 0.000 0.438 18 P HA -0.073 nan 4.420 nan 0.000 0.266 18 P C 0.399 177.518 177.300 -0.302 0.000 1.195 18 P CA 0.016 62.746 63.100 -0.617 0.000 0.768 18 P CB 0.396 31.220 31.700 -1.460 0.000 0.838 19 H N 2.291 121.239 119.070 -0.204 0.000 2.353 19 H HA -0.130 4.426 4.556 0.000 0.000 0.300 19 H C 1.649 176.930 175.328 -0.079 0.000 1.090 19 H CA 2.420 58.403 56.048 -0.108 0.000 1.327 19 H CB -0.069 29.663 29.762 -0.050 0.000 1.383 19 H HN 0.465 nan 8.280 nan 0.000 0.508 20 S N -0.109 115.584 115.700 -0.012 0.000 2.399 20 S HA -0.085 4.385 4.470 0.000 0.000 0.231 20 S C 2.333 176.876 174.600 -0.094 0.000 1.022 20 S CA 1.189 59.385 58.200 -0.007 0.000 0.983 20 S CB -0.833 62.447 63.200 0.133 0.000 0.803 20 S HN 0.187 nan 8.310 nan 0.000 0.480 21 V N 2.000 121.813 119.914 -0.168 0.000 2.358 21 V HA -0.076 4.044 4.120 0.000 0.000 0.246 21 V C 2.526 178.511 176.094 -0.182 0.000 1.047 21 V CA 1.654 63.843 62.300 -0.184 0.000 1.035 21 V CB -0.793 30.864 31.823 -0.277 0.000 0.658 21 V HN 0.468 nan 8.190 nan 0.000 0.452 22 L N -0.878 120.213 121.223 -0.221 0.000 2.056 22 L HA -0.168 4.172 4.340 0.000 0.000 0.207 22 L C 2.415 179.187 176.870 -0.164 0.000 1.078 22 L CA 1.370 56.099 54.840 -0.185 0.000 0.749 22 L CB -0.557 41.372 42.059 -0.216 0.000 0.901 22 L HN 0.283 nan 8.230 nan 0.000 0.433 23 L N -0.118 120.958 121.223 -0.245 0.000 2.043 23 L HA -0.259 4.081 4.340 0.000 0.000 0.212 23 L C 2.685 179.526 176.870 -0.049 0.000 1.075 23 L CA 1.719 56.467 54.840 -0.153 0.000 0.752 23 L CB -0.477 41.495 42.059 -0.145 0.000 0.891 23 L HN 0.362 nan 8.230 nan 0.000 0.432 24 E N 0.978 121.154 120.200 -0.039 0.000 2.028 24 E HA -0.206 4.145 4.350 0.000 0.000 0.191 24 E C 2.049 178.698 176.600 0.081 0.000 0.988 24 E CA 1.356 57.766 56.400 0.016 0.000 0.799 24 E CB -0.301 29.401 29.700 0.003 0.000 0.755 24 E HN 0.395 nan 8.360 nan 0.000 0.447 25 I N 0.864 121.475 120.570 0.069 0.000 2.118 25 I HA -0.351 3.819 4.170 0.000 0.000 0.241 25 I C 2.913 179.149 176.117 0.197 0.000 1.070 25 I CA 1.953 63.375 61.300 0.203 0.000 1.327 25 I CB -0.482 37.614 38.000 0.160 0.000 1.034 25 I HN 0.341 nan 8.210 nan 0.000 0.405 26 Q N 1.082 120.942 119.800 0.101 0.000 2.084 26 Q HA -0.266 4.075 4.340 0.000 0.000 0.202 26 Q C 2.317 178.359 176.000 0.070 0.000 0.978 26 Q CA 1.606 57.454 55.803 0.074 0.000 0.844 26 Q CB -0.028 28.723 28.738 0.022 0.000 0.898 26 Q HN 0.349 nan 8.270 nan 0.000 0.426 27 K N 0.150 120.586 120.400 0.060 0.000 2.097 27 K HA -0.190 4.130 4.320 0.000 0.000 0.206 27 K C 1.335 177.974 176.600 0.065 0.000 1.049 27 K CA 1.455 57.772 56.287 0.049 0.000 0.933 27 K CB 0.148 32.669 32.500 0.036 0.000 0.717 27 K HN 0.071 nan 8.250 nan 0.000 0.442 28 E N 0.253 120.520 120.200 0.110 0.000 2.474 28 E HA 0.021 4.371 4.350 0.000 0.000 0.195 28 E C 1.281 177.976 176.600 0.158 0.000 1.039 28 E CA -0.134 56.346 56.400 0.134 0.000 0.881 28 E CB 0.200 30.033 29.700 0.223 0.000 0.970 28 E HN 0.124 nan 8.360 nan 0.000 0.486 29 L N -0.090 121.216 121.223 0.137 0.000 2.083 29 L HA -0.084 4.256 4.340 0.000 0.000 0.209 29 L C 1.564 178.477 176.870 0.072 0.000 1.083 29 L CA 1.519 56.434 54.840 0.126 0.000 0.752 29 L CB 0.036 42.159 42.059 0.107 0.000 0.899 29 L HN 0.231 nan 8.230 nan 0.000 0.433 30 L N -1.518 119.737 121.223 0.053 0.000 2.307 30 L HA 0.089 4.429 4.340 0.000 0.000 0.211 30 L C 0.052 176.945 176.870 0.038 0.000 1.099 30 L CA 0.400 55.258 54.840 0.030 0.000 0.816 30 L CB -0.001 42.070 42.059 0.019 0.000 0.952 30 L HN 0.249 nan 8.230 nan 0.000 0.455 31 D N -1.061 119.374 120.400 0.058 0.000 2.584 31 D HA 0.027 4.667 4.640 0.000 0.000 0.238 31 D C -0.935 175.415 176.300 0.082 0.000 1.302 31 D CA -0.536 53.499 54.000 0.060 0.000 0.884 31 D CB 0.232 41.049 40.800 0.029 0.000 1.456 31 D HN -0.001 nan 8.370 nan 0.000 0.528 32 Y N 4.066 124.354 120.300 -0.020 0.000 2.745 32 Y HA 0.084 4.634 4.550 0.000 0.000 0.335 32 Y C 1.288 177.184 175.900 -0.007 0.000 1.212 32 Y CA 0.745 58.830 58.100 -0.026 0.000 1.535 32 Y CB 0.375 38.790 38.460 -0.075 0.000 1.220 32 Y HN 0.397 nan 8.280 nan 0.000 0.531 33 K N 3.845 123.950 120.400 -0.493 0.000 3.281 33 K HA -0.294 4.026 4.320 0.000 0.000 0.308 33 K C 0.951 177.435 176.600 -0.194 0.000 1.218 33 K CA 1.112 57.127 56.287 -0.453 0.000 0.923 33 K CB -1.761 30.280 32.500 -0.765 0.000 1.222 33 K HN 1.313 nan 8.250 nan 0.000 0.440 34 G N -1.002 107.739 108.800 -0.098 0.000 2.184 34 G HA2 -0.249 3.711 3.960 0.000 0.000 0.206 34 G HA3 -0.249 3.711 3.960 0.000 0.000 0.206 34 G C 0.527 175.425 174.900 -0.004 0.000 0.995 34 G CA 0.071 45.147 45.100 -0.040 0.000 0.651 34 G HN 0.116 nan 8.290 nan 0.000 0.511 35 V N 0.598 120.528 119.914 0.026 0.000 3.141 35 V HA 0.347 4.467 4.120 0.000 0.000 0.265 35 V C 2.440 178.563 176.094 0.048 0.000 1.126 35 V CA 2.135 64.471 62.300 0.059 0.000 1.141 35 V CB -0.670 31.229 31.823 0.127 0.000 0.743 35 V HN 2.025 nan 8.190 nan 0.000 0.492 36 G N 0.055 108.880 108.800 0.041 0.000 2.157 36 G HA2 -0.255 3.705 3.960 0.000 0.000 0.239 36 G HA3 -0.255 3.705 3.960 0.000 0.000 0.239 36 G C -0.084 174.834 174.900 0.030 0.000 0.982 36 G CA 0.344 45.461 45.100 0.028 0.000 0.650 36 G HN 0.482 nan 8.290 nan 0.000 0.527 37 I N 0.038 120.637 120.570 0.049 0.000 2.994 37 I HA 0.666 4.837 4.170 0.000 0.000 0.306 37 I C 0.067 176.212 176.117 0.046 0.000 1.195 37 I CA -0.765 60.555 61.300 0.033 0.000 1.001 37 I CB 2.100 40.113 38.000 0.022 0.000 1.244 37 I HN 0.141 nan 8.210 nan 0.000 0.437 38 S N 2.518 118.222 115.700 0.008 0.000 2.586 38 S HA 0.279 4.749 4.470 0.000 0.000 0.274 38 S C 0.941 175.500 174.600 -0.069 0.000 1.281 38 S CA -0.596 57.601 58.200 -0.006 0.000 1.035 38 S CB 1.637 64.821 63.200 -0.026 0.000 0.962 38 S HN 0.434 nan 8.310 nan 0.000 0.512 39 V N 5.430 125.254 119.914 -0.149 0.000 2.407 39 V HA -0.158 3.962 4.120 0.000 0.000 0.248 39 V C 2.279 178.333 176.094 -0.067 0.000 1.055 39 V CA 1.780 63.919 62.300 -0.268 0.000 1.049 39 V CB -0.849 30.599 31.823 -0.624 0.000 0.662 39 V HN 0.837 nan 8.190 nan 0.000 0.455 40 L N -0.389 120.830 121.223 -0.007 0.000 2.263 40 L HA -0.224 4.116 4.340 0.000 0.000 0.216 40 L C 2.363 179.168 176.870 -0.108 0.000 1.111 40 L CA 1.654 56.430 54.840 -0.107 0.000 0.773 40 L CB -0.363 41.544 42.059 -0.254 0.000 0.906 40 L HN 0.444 nan 8.230 nan 0.000 0.439 41 E N -1.331 118.815 120.200 -0.089 0.000 2.413 41 E HA 0.060 4.410 4.350 0.000 0.000 0.203 41 E C 0.804 177.360 176.600 -0.073 0.000 0.957 41 E CA -0.348 56.007 56.400 -0.076 0.000 0.950 41 E CB 0.397 30.064 29.700 -0.055 0.000 0.957 41 E HN 0.283 nan 8.360 nan 0.000 0.497 42 M N 2.241 121.790 119.600 -0.085 0.000 2.290 42 M HA -0.042 4.438 4.480 0.000 0.000 0.356 42 M C 0.209 176.453 176.300 -0.093 0.000 1.448 42 M CA 0.342 55.595 55.300 -0.077 0.000 0.993 42 M CB 0.509 33.053 32.600 -0.093 0.000 1.934 42 M HN -0.097 nan 8.290 nan 0.000 0.461 43 S N 3.696 119.367 115.700 -0.049 0.000 2.549 43 S HA -0.013 4.457 4.470 0.000 0.000 0.286 43 S C 1.467 176.035 174.600 -0.053 0.000 1.314 43 S CA -0.400 57.777 58.200 -0.039 0.000 1.062 43 S CB 0.394 63.568 63.200 -0.043 0.000 0.865 43 S HN 0.887 nan 8.310 nan 0.000 0.498 44 H N 5.294 124.239 119.070 -0.207 0.000 2.491 44 H HA 0.083 4.639 4.556 0.000 0.000 0.290 44 H C 0.993 176.373 175.328 0.087 0.000 1.050 44 H CA 0.805 56.737 56.048 -0.193 0.000 1.309 44 H CB -0.139 29.466 29.762 -0.261 0.000 1.392 44 H HN 0.551 nan 8.280 nan 0.000 0.554 45 R N 1.901 122.136 120.500 -0.441 0.000 2.319 45 R HA 0.081 4.421 4.340 0.000 0.000 0.204 45 R C 0.457 176.711 176.300 -0.077 0.000 0.954 45 R CA 0.404 56.335 56.100 -0.282 0.000 1.066 45 R CB -0.105 29.998 30.300 -0.328 0.000 0.991 45 R HN 0.431 nan 8.270 nan 0.000 0.486 46 S N -0.220 115.482 115.700 0.004 0.000 2.554 46 S HA 0.126 4.596 4.470 0.000 0.000 0.278 46 S C 1.363 176.001 174.600 0.064 0.000 1.242 46 S CA -0.421 57.799 58.200 0.033 0.000 1.051 46 S CB 1.892 65.118 63.200 0.044 0.000 0.986 46 S HN 0.189 nan 8.310 nan 0.000 0.502 47 S N 1.604 117.327 115.700 0.038 0.000 2.407 47 S HA -0.233 4.237 4.470 0.000 0.000 0.235 47 S C 1.074 175.702 174.600 0.046 0.000 1.036 47 S CA 1.513 59.734 58.200 0.034 0.000 1.013 47 S CB -0.747 62.467 63.200 0.024 0.000 0.820 47 S HN 0.795 nan 8.310 nan 0.000 0.476 48 D N 0.799 121.240 120.400 0.070 0.000 2.097 48 D HA -0.039 4.601 4.640 0.000 0.000 0.195 48 D C 1.543 177.895 176.300 0.086 0.000 0.989 48 D CA 1.047 55.103 54.000 0.093 0.000 0.827 48 D CB -0.430 40.436 40.800 0.111 0.000 0.966 48 D HN 0.483 nan 8.370 nan 0.000 0.456 49 F N 1.593 121.523 119.950 -0.033 0.000 2.259 49 F HA -0.002 4.526 4.527 0.000 0.000 0.298 49 F C 2.173 177.968 175.800 -0.009 0.000 1.088 49 F CA 0.961 58.935 58.000 -0.044 0.000 1.358 49 F CB -0.271 38.710 39.000 -0.032 0.000 1.040 49 F HN -0.099 nan 8.300 nan 0.000 0.505 50 A N 0.453 123.239 122.820 -0.057 0.000 1.873 50 A HA -0.301 4.020 4.320 0.000 0.000 0.218 50 A C 2.359 179.842 177.584 -0.167 0.000 1.193 50 A CA 2.124 54.095 52.037 -0.110 0.000 0.629 50 A CB -0.992 18.002 19.000 -0.010 0.000 0.826 50 A HN 0.437 nan 8.150 nan 0.000 0.447 51 K N -0.435 119.906 120.400 -0.100 0.000 2.044 51 K HA -0.171 4.149 4.320 0.000 0.000 0.210 51 K C 1.873 178.399 176.600 -0.123 0.000 1.049 51 K CA 1.892 58.138 56.287 -0.069 0.000 0.927 51 K CB -0.366 32.134 32.500 0.001 0.000 0.713 51 K HN 0.553 nan 8.250 nan 0.000 0.443 52 I N 0.780 121.221 120.570 -0.216 0.000 2.142 52 I HA -0.289 3.881 4.170 0.000 0.000 0.240 52 I C 2.514 178.400 176.117 -0.385 0.000 1.078 52 I CA 1.174 62.317 61.300 -0.261 0.000 1.343 52 I CB -0.219 37.599 38.000 -0.303 0.000 1.046 52 I HN 0.286 nan 8.210 nan 0.000 0.405 53 I N 0.761 120.934 120.570 -0.662 0.000 2.252 53 I HA -0.312 3.859 4.170 0.000 0.000 0.245 53 I C 2.481 178.493 176.117 -0.175 0.000 1.102 53 I CA 1.377 62.376 61.300 -0.502 0.000 1.385 53 I CB -0.372 37.293 38.000 -0.558 0.000 1.064 53 I HN 0.352 nan 8.210 nan 0.000 0.414 54 N N 1.457 120.077 118.700 -0.135 0.000 2.094 54 N HA -0.329 4.412 4.740 0.000 0.000 0.191 54 N C 1.627 177.130 175.510 -0.012 0.000 1.023 54 N CA 2.314 55.344 53.050 -0.034 0.000 0.857 54 N CB -0.417 38.049 38.487 -0.036 0.000 1.013 54 N HN 0.496 nan 8.380 nan 0.000 0.426 55 N N -0.526 118.146 118.700 -0.046 0.000 2.354 55 N HA -0.033 4.707 4.740 0.000 0.000 0.179 55 N C 1.388 176.892 175.510 -0.009 0.000 1.021 55 N CA 1.521 54.559 53.050 -0.019 0.000 0.887 55 N CB -0.082 38.393 38.487 -0.019 0.000 0.974 55 N HN 0.089 nan 8.380 nan 0.000 0.437 56 T N -0.273 114.252 114.554 -0.049 0.000 2.777 56 T HA -0.113 4.238 4.350 0.000 0.000 0.266 56 T C 1.500 176.308 174.700 0.180 0.000 1.040 56 T CA 1.055 63.133 62.100 -0.038 0.000 1.141 56 T CB -0.288 68.399 68.868 -0.301 0.000 0.868 56 T HN 0.369 nan 8.240 nan 0.000 0.444 57 E N 1.075 121.438 120.200 0.273 0.000 2.051 57 E HA -0.187 4.163 4.350 0.000 0.000 0.192 57 E C 2.076 178.763 176.600 0.146 0.000 0.991 57 E CA 0.966 57.549 56.400 0.305 0.000 0.799 57 E CB -0.028 29.806 29.700 0.224 0.000 0.748 57 E HN 0.265 nan 8.360 nan 0.000 0.449 58 N N 0.662 119.417 118.700 0.091 0.000 2.069 58 N HA -0.180 4.561 4.740 0.000 0.000 0.191 58 N C 1.992 177.533 175.510 0.051 0.000 1.031 58 N CA 0.992 54.075 53.050 0.054 0.000 0.852 58 N CB -0.364 38.142 38.487 0.033 0.000 1.018 58 N HN 0.216 nan 8.380 nan 0.000 0.423 59 L N 0.174 121.432 121.223 0.058 0.000 2.093 59 L HA -0.099 4.241 4.340 0.000 0.000 0.208 59 L C 2.195 179.103 176.870 0.063 0.000 1.085 59 L CA 0.553 55.422 54.840 0.048 0.000 0.755 59 L CB -0.356 41.727 42.059 0.041 0.000 0.904 59 L HN -0.027 nan 8.230 nan 0.000 0.435 60 V N -0.148 119.836 119.914 0.116 0.000 2.332 60 V HA -0.308 3.812 4.120 0.000 0.000 0.248 60 V C 2.599 178.728 176.094 0.059 0.000 1.055 60 V CA 1.835 64.216 62.300 0.135 0.000 1.038 60 V CB -0.629 31.320 31.823 0.210 0.000 0.651 60 V HN 0.422 nan 8.190 nan 0.000 0.450 61 R N -0.526 120.001 120.500 0.045 0.000 2.090 61 R HA -0.120 4.220 4.340 0.000 0.000 0.228 61 R C 2.404 178.704 176.300 0.000 0.000 1.110 61 R CA 1.396 57.505 56.100 0.016 0.000 0.973 61 R CB -0.182 30.133 30.300 0.024 0.000 0.869 61 R HN 0.652 nan 8.270 nan 0.000 0.440 62 E N 1.052 121.255 120.200 0.004 0.000 2.028 62 E HA -0.129 4.222 4.350 0.000 0.000 0.190 62 E C 2.002 178.586 176.600 -0.026 0.000 0.984 62 E CA 0.705 57.100 56.400 -0.008 0.000 0.800 62 E CB 0.083 29.781 29.700 -0.003 0.000 0.758 62 E HN 0.214 nan 8.360 nan 0.000 0.448 63 L N 0.682 121.887 121.223 -0.029 0.000 2.046 63 L HA -0.153 4.188 4.340 0.000 0.000 0.208 63 L C 2.466 179.281 176.870 -0.093 0.000 1.077 63 L CA 0.864 55.669 54.840 -0.058 0.000 0.747 63 L CB -0.131 41.893 42.059 -0.057 0.000 0.896 63 L HN 0.280 nan 8.230 nan 0.000 0.432 64 L N -0.666 120.497 121.223 -0.101 0.000 2.529 64 L HA 0.165 4.505 4.340 0.000 0.000 0.223 64 L C 1.041 177.854 176.870 -0.094 0.000 1.113 64 L CA 0.245 55.004 54.840 -0.136 0.000 0.861 64 L CB -0.083 41.870 42.059 -0.176 0.000 1.012 64 L HN 0.342 nan 8.230 nan 0.000 0.461 65 A N 0.215 122.999 122.820 -0.061 0.000 2.734 65 A HA -0.144 4.177 4.320 0.000 0.000 0.296 65 A C 0.181 177.738 177.584 -0.045 0.000 1.474 65 A CA 0.070 52.083 52.037 -0.040 0.000 0.735 65 A CB -2.369 16.610 19.000 -0.034 0.000 1.062 65 A HN 0.047 nan 8.150 nan 0.000 0.463 66 V N 1.808 121.694 119.914 -0.048 0.000 2.446 66 V HA 0.275 4.395 4.120 0.000 0.000 0.276 66 V C -1.082 175.024 176.094 0.020 0.000 1.030 66 V CA -0.469 61.791 62.300 -0.067 0.000 1.033 66 V CB 0.391 32.181 31.823 -0.054 0.000 0.993 66 V HN 0.612 nan 8.190 nan 0.000 0.477 67 P HA 0.095 nan 4.420 nan 0.000 0.270 67 P C 0.378 177.801 177.300 0.205 0.000 1.227 67 P CA -0.244 62.955 63.100 0.164 0.000 0.788 67 P CB 0.582 32.437 31.700 0.257 0.000 0.926 68 D N -0.026 120.452 120.400 0.129 0.000 2.371 68 D HA -0.083 4.558 4.640 0.000 0.000 0.221 68 D C 0.852 177.192 176.300 0.067 0.000 0.986 68 D CA 0.704 54.757 54.000 0.087 0.000 0.899 68 D CB -0.424 40.406 40.800 0.050 0.000 0.902 68 D HN 0.418 nan 8.370 nan 0.000 0.530 69 N N -0.067 118.670 118.700 0.062 0.000 2.346 69 N HA -0.094 4.647 4.740 0.000 0.000 0.225 69 N C -0.808 174.538 175.510 -0.272 0.000 1.144 69 N CA -0.172 52.822 53.050 -0.094 0.000 0.837 69 N CB -0.370 38.026 38.487 -0.153 0.000 1.069 69 N HN 0.079 nan 8.380 nan 0.000 0.487 70 Y N 0.166 120.463 120.300 -0.004 0.000 2.425 70 Y HA 0.382 4.933 4.550 0.000 0.000 0.344 70 Y C 0.186 176.059 175.900 -0.045 0.000 0.969 70 Y CA -1.104 56.983 58.100 -0.021 0.000 1.052 70 Y CB 1.681 40.130 38.460 -0.018 0.000 1.215 70 Y HN -0.247 nan 8.280 nan 0.000 0.451 71 K N 2.391 122.831 120.400 0.067 0.000 2.174 71 K HA 0.517 4.838 4.320 0.000 0.000 0.275 71 K C -0.971 175.592 176.600 -0.063 0.000 1.015 71 K CA -0.573 55.706 56.287 -0.013 0.000 0.933 71 K CB 1.700 34.170 32.500 -0.049 0.000 1.025 71 K HN 0.414 nan 8.250 nan 0.000 0.463 72 V N 5.332 125.171 119.914 -0.126 0.000 2.350 72 V HA 0.451 4.571 4.120 0.000 0.000 0.285 72 V C 0.071 175.896 176.094 -0.448 0.000 1.014 72 V CA -0.832 61.308 62.300 -0.267 0.000 0.831 72 V CB 0.807 32.501 31.823 -0.216 0.000 1.000 72 V HN 0.652 nan 8.190 nan 0.000 0.433 73 I N 0.591 120.837 120.570 -0.540 0.000 2.892 73 I HA 0.763 4.933 4.170 0.000 0.000 0.306 73 I C -1.529 174.206 176.117 -0.636 0.000 1.078 73 I CA -0.835 60.164 61.300 -0.502 0.000 1.032 73 I CB 2.584 40.465 38.000 -0.199 0.000 1.229 73 I HN 0.310 nan 8.210 nan 0.000 0.435 74 F N 4.417 124.367 119.950 0.001 0.000 2.445 74 F HA 0.646 5.174 4.527 0.000 0.000 0.348 74 F C -0.419 175.389 175.800 0.012 0.000 1.125 74 F CA -0.488 57.510 58.000 -0.003 0.000 0.983 74 F CB 1.566 40.578 39.000 0.020 0.000 1.198 74 F HN 0.226 nan 8.300 nan 0.000 0.436 75 L N 2.722 124.034 121.223 0.148 0.000 2.319 75 L HA 0.531 4.871 4.340 0.000 0.000 0.267 75 L C -0.118 176.782 176.870 0.051 0.000 1.011 75 L CA -1.042 53.847 54.840 0.082 0.000 0.818 75 L CB 2.181 44.264 42.059 0.039 0.000 1.316 75 L HN 0.541 nan 8.230 nan 0.000 0.432 76 Q N -0.230 119.585 119.800 0.026 0.000 2.237 76 Q HA 0.447 4.787 4.340 0.000 0.000 0.219 76 Q C 0.664 176.645 176.000 -0.031 0.000 0.999 76 Q CA 0.349 56.151 55.803 -0.003 0.000 0.959 76 Q CB 1.242 29.977 28.738 -0.005 0.000 1.173 76 Q HN 0.911 nan 8.270 nan 0.000 0.527 77 G N -0.788 107.985 108.800 -0.046 0.000 2.259 77 G HA2 -0.131 3.829 3.960 0.000 0.000 0.217 77 G HA3 -0.131 3.829 3.960 0.000 0.000 0.217 77 G C 0.487 175.323 174.900 -0.107 0.000 1.001 77 G CA -0.152 44.907 45.100 -0.068 0.000 0.627 77 G HN 1.308 nan 8.290 nan 0.000 0.501 78 G N -0.884 107.847 108.800 -0.114 0.000 2.750 78 G HA2 0.266 4.226 3.960 0.000 0.000 0.228 78 G HA3 0.266 4.226 3.960 0.000 0.000 0.228 78 G C 1.621 176.380 174.900 -0.234 0.000 1.367 78 G CA 0.890 45.898 45.100 -0.152 0.000 0.871 78 G HN 1.862 nan 8.290 nan 0.000 0.560 79 G N -0.915 107.720 108.800 -0.275 0.000 2.553 79 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 79 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 79 G C 2.115 176.495 174.900 -0.867 0.000 1.195 79 G CA 2.741 47.610 45.100 -0.386 0.000 0.779 79 G HN 1.535 nan 8.290 nan 0.000 0.577 80 C N 1.013 119.820 119.300 -0.822 0.000 2.411 80 C HA 0.083 4.543 4.460 0.000 0.000 0.279 80 C C 3.206 177.986 174.990 -0.350 0.000 1.288 80 C CA 0.342 58.913 59.018 -0.745 0.000 1.764 80 C CB -1.377 26.226 27.740 -0.229 0.000 1.974 80 C HN 0.561 nan 8.230 nan 0.000 0.498 81 G N 0.038 108.675 108.800 -0.271 0.000 2.476 81 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 81 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 81 G C 1.583 176.354 174.900 -0.214 0.000 1.164 81 G CA 0.905 45.899 45.100 -0.178 0.000 0.768 81 G HN 0.509 nan 8.290 nan 0.000 0.560 82 Q N -0.072 119.500 119.800 -0.379 0.000 2.224 82 Q HA -0.002 4.338 4.340 0.000 0.000 0.203 82 Q C 2.337 178.218 176.000 -0.198 0.000 0.970 82 Q CA 0.496 55.995 55.803 -0.506 0.000 0.865 82 Q CB -0.491 27.465 28.738 -1.304 0.000 0.922 82 Q HN 0.540 nan 8.270 nan 0.000 0.445 83 F N 0.365 120.218 119.950 -0.160 0.000 2.250 83 F HA -0.107 4.421 4.527 0.000 0.000 0.301 83 F C 2.278 178.081 175.800 0.005 0.000 1.077 83 F CA 0.684 58.689 58.000 0.009 0.000 1.348 83 F CB -0.785 38.281 39.000 0.110 0.000 1.040 83 F HN -0.030 nan 8.300 nan 0.000 0.509 84 S N -0.704 115.068 115.700 0.121 0.000 2.468 84 S HA 0.199 4.669 4.470 0.000 0.000 0.226 84 S C 2.265 176.690 174.600 -0.291 0.000 1.051 84 S CA 0.534 58.730 58.200 -0.007 0.000 0.943 84 S CB -0.159 63.089 63.200 0.081 0.000 0.810 84 S HN 0.270 nan 8.310 nan 0.000 0.509 85 A N 1.147 123.832 122.820 -0.226 0.000 1.968 85 A HA 0.046 4.366 4.320 0.000 0.000 0.217 85 A C 2.183 179.554 177.584 -0.354 0.000 1.169 85 A CA 1.016 52.862 52.037 -0.319 0.000 0.638 85 A CB -0.696 18.157 19.000 -0.246 0.000 0.812 85 A HN 0.308 nan 8.150 nan 0.000 0.446 86 V N 0.711 120.513 119.914 -0.187 0.000 2.237 86 V HA -0.151 3.969 4.120 0.000 0.000 0.245 86 V C -0.150 175.842 176.094 -0.171 0.000 1.046 86 V CA 2.539 64.771 62.300 -0.113 0.000 1.007 86 V CB -1.476 30.358 31.823 0.018 0.000 0.638 86 V HN 0.364 nan 8.190 nan 0.000 0.445 87 P HA -0.143 nan 4.420 nan 0.000 0.215 87 P C 1.962 179.116 177.300 -0.243 0.000 1.153 87 P CA 1.476 64.569 63.100 -0.010 0.000 0.853 87 P CB -0.068 31.627 31.700 -0.009 0.000 0.788 88 L N -0.850 120.051 121.223 -0.538 0.000 2.083 88 L HA -0.158 4.182 4.340 0.000 0.000 0.209 88 L C 2.161 178.862 176.870 -0.281 0.000 1.083 88 L CA 1.414 55.965 54.840 -0.481 0.000 0.752 88 L CB -0.699 41.036 42.059 -0.539 0.000 0.899 88 L HN 0.032 nan 8.230 nan 0.000 0.433 89 N N -0.751 117.745 118.700 -0.339 0.000 2.409 89 N HA -0.004 4.736 4.740 0.000 0.000 0.179 89 N C 1.495 176.978 175.510 -0.045 0.000 1.032 89 N CA 1.041 53.913 53.050 -0.296 0.000 0.898 89 N CB 0.551 38.605 38.487 -0.722 0.000 0.971 89 N HN 0.368 nan 8.380 nan 0.000 0.441 90 L N -0.830 120.390 121.223 -0.005 0.000 3.154 90 L HA 0.248 4.589 4.340 0.000 0.000 0.280 90 L C 1.690 178.695 176.870 0.226 0.000 1.134 90 L CA 0.061 54.962 54.840 0.101 0.000 1.037 90 L CB 0.468 42.514 42.059 -0.022 0.000 1.571 90 L HN -0.109 nan 8.230 nan 0.000 0.576 91 I N 1.066 121.784 120.570 0.247 0.000 2.567 91 I HA -0.159 4.011 4.170 0.000 0.000 0.257 91 I C 1.945 178.144 176.117 0.137 0.000 1.184 91 I CA 1.499 62.948 61.300 0.249 0.000 1.451 91 I CB 0.160 38.292 38.000 0.220 0.000 1.089 91 I HN 0.241 nan 8.210 nan 0.000 0.441 92 G N -0.168 108.705 108.800 0.123 0.000 2.985 92 G HA2 -0.065 3.896 3.960 0.000 0.000 0.209 92 G HA3 -0.065 3.896 3.960 0.000 0.000 0.209 92 G C 1.307 176.253 174.900 0.077 0.000 1.165 92 G CA -0.216 44.951 45.100 0.112 0.000 0.776 92 G HN 0.209 nan 8.290 nan 0.000 0.541 93 L N 0.263 121.466 121.223 -0.032 0.000 2.010 93 L HA -0.033 4.308 4.340 0.000 0.000 0.219 93 L C 1.393 178.127 176.870 -0.226 0.000 1.077 93 L CA 1.654 56.280 54.840 -0.357 0.000 0.773 93 L CB -0.305 41.601 42.059 -0.255 0.000 0.892 93 L HN 0.191 nan 8.230 nan 0.000 0.436 94 K N -2.663 117.691 120.400 -0.077 0.000 2.267 94 K HA 0.478 4.799 4.320 0.000 0.000 0.246 94 K C 0.847 177.452 176.600 0.009 0.000 0.954 94 K CA 0.157 56.424 56.287 -0.033 0.000 0.824 94 K CB 1.606 34.088 32.500 -0.030 0.000 1.167 94 K HN -0.095 nan 8.250 nan 0.000 0.431 95 A N 1.631 124.463 122.820 0.020 0.000 2.015 95 A HA -0.060 4.260 4.320 0.000 0.000 0.219 95 A C 1.964 179.563 177.584 0.026 0.000 1.163 95 A CA 1.831 53.887 52.037 0.032 0.000 0.646 95 A CB -0.928 18.092 19.000 0.032 0.000 0.806 95 A HN 0.934 nan 8.150 nan 0.000 0.448 96 G N -0.749 108.061 108.800 0.016 0.000 2.485 96 G HA2 -0.191 3.769 3.960 0.000 0.000 0.221 96 G HA3 -0.191 3.769 3.960 0.000 0.000 0.221 96 G C 0.876 175.785 174.900 0.014 0.000 1.115 96 G CA 0.614 45.720 45.100 0.011 0.000 0.751 96 G HN 0.498 nan 8.290 nan 0.000 0.567 97 R N -1.589 118.925 120.500 0.023 0.000 3.416 97 R HA -0.152 4.188 4.340 0.000 0.000 0.263 97 R C -0.371 175.937 176.300 0.014 0.000 1.053 97 R CA 0.798 56.919 56.100 0.036 0.000 0.705 97 R CB -3.064 27.267 30.300 0.052 0.000 1.124 97 R HN 0.416 nan 8.270 nan 0.000 0.444 98 C N 0.040 119.331 119.300 -0.015 0.000 2.366 98 C HA 0.888 5.348 4.460 0.000 0.000 0.345 98 C C 0.907 175.829 174.990 -0.114 0.000 1.209 98 C CA -0.273 58.719 59.018 -0.045 0.000 2.050 98 C CB 1.867 29.584 27.740 -0.038 0.000 2.359 98 C HN 0.615 nan 8.230 nan 0.000 0.527 99 A N 1.864 124.596 122.820 -0.147 0.000 2.475 99 A HA 0.717 5.038 4.320 0.000 0.000 0.301 99 A C -1.488 176.037 177.584 -0.099 0.000 1.059 99 A CA -0.405 51.440 52.037 -0.320 0.000 0.710 99 A CB 0.929 19.587 19.000 -0.570 0.000 1.288 99 A HN 0.800 nan 8.150 nan 0.000 0.408 100 D N 0.500 120.824 120.400 -0.127 0.000 2.177 100 D HA 0.556 5.196 4.640 0.000 0.000 0.247 100 D C -1.334 174.994 176.300 0.047 0.000 1.063 100 D CA 0.806 54.801 54.000 -0.008 0.000 0.867 100 D CB 0.967 41.747 40.800 -0.033 0.000 1.168 100 D HN 0.423 nan 8.370 nan 0.000 0.445 101 Y N 0.098 120.346 120.300 -0.086 0.000 2.477 101 Y HA 0.391 4.942 4.550 0.000 0.000 0.347 101 Y C -0.221 175.624 175.900 -0.092 0.000 0.981 101 Y CA -1.032 57.064 58.100 -0.008 0.000 1.033 101 Y CB 1.976 40.407 38.460 -0.049 0.000 1.245 101 Y HN 0.013 nan 8.280 nan 0.000 0.455 102 V N 4.627 124.598 119.914 0.095 0.000 2.370 102 V HA 0.354 4.474 4.120 0.000 0.000 0.283 102 V C -0.698 175.599 176.094 0.339 0.000 1.023 102 V CA -0.772 61.582 62.300 0.090 0.000 0.857 102 V CB 1.324 33.077 31.823 -0.116 0.000 0.985 102 V HN 0.490 nan 8.190 nan 0.000 0.443 103 V N 4.833 125.058 119.914 0.519 0.000 2.293 103 V HA 0.313 4.433 4.120 0.000 0.000 0.275 103 V C 0.860 177.134 176.094 0.300 0.000 1.021 103 V CA -0.010 62.498 62.300 0.347 0.000 0.815 103 V CB 1.258 33.242 31.823 0.269 0.000 1.025 103 V HN 1.027 nan 8.190 nan 0.000 0.448 104 T N -0.083 114.552 114.554 0.136 0.000 3.132 104 T HA 0.615 4.965 4.350 0.000 0.000 0.274 104 T C 0.587 175.037 174.700 -0.417 0.000 1.011 104 T CA 0.297 62.418 62.100 0.035 0.000 0.899 104 T CB 0.693 69.680 68.868 0.198 0.000 1.089 104 T HN 0.979 nan 8.240 nan 0.000 0.543 105 G N -0.072 108.187 108.800 -0.902 0.000 2.340 105 G HA2 0.532 4.492 3.960 0.000 0.000 0.299 105 G HA3 0.532 4.492 3.960 0.000 0.000 0.299 105 G C 0.582 174.974 174.900 -0.846 0.000 1.291 105 G CA -0.123 44.197 45.100 -1.299 0.000 0.841 105 G HN 0.224 nan 8.290 nan 0.000 0.500 106 A N -0.988 121.600 122.820 -0.386 0.000 1.902 106 A HA 0.063 4.383 4.320 0.000 0.000 0.217 106 A C 1.999 179.414 177.584 -0.281 0.000 1.181 106 A CA 2.090 53.965 52.037 -0.269 0.000 0.623 106 A CB -0.760 18.029 19.000 -0.352 0.000 0.818 106 A HN 0.720 nan 8.150 nan 0.000 0.443 107 W N 0.850 122.194 121.300 0.073 0.000 2.381 107 W HA -0.129 4.532 4.660 0.000 0.000 0.301 107 W C 2.878 179.404 176.519 0.010 0.000 1.205 107 W CA 1.465 58.904 57.345 0.156 0.000 1.285 107 W CB -0.362 29.261 29.460 0.272 0.000 1.133 107 W HN 0.442 nan 8.180 nan 0.000 0.521 108 S N 0.204 116.031 115.700 0.212 0.000 2.428 108 S HA -0.021 4.449 4.470 0.000 0.000 0.230 108 S C 1.898 176.526 174.600 0.046 0.000 1.014 108 S CA 0.894 59.205 58.200 0.184 0.000 0.957 108 S CB -0.894 62.470 63.200 0.274 0.000 0.784 108 S HN 0.171 nan 8.310 nan 0.000 0.499 109 A N 3.272 126.087 122.820 -0.008 0.000 1.858 109 A HA -0.097 4.223 4.320 0.000 0.000 0.216 109 A C 2.264 179.811 177.584 -0.062 0.000 1.190 109 A CA 1.477 53.504 52.037 -0.018 0.000 0.617 109 A CB -0.579 18.430 19.000 0.016 0.000 0.827 109 A HN 0.450 nan 8.150 nan 0.000 0.443 110 K N -0.122 120.255 120.400 -0.039 0.000 2.044 110 K HA -0.169 4.151 4.320 0.000 0.000 0.210 110 K C 2.292 178.802 176.600 -0.151 0.000 1.049 110 K CA 1.395 57.692 56.287 0.017 0.000 0.927 110 K CB -0.657 32.004 32.500 0.268 0.000 0.713 110 K HN 0.463 nan 8.250 nan 0.000 0.443 111 A N 1.679 124.170 122.820 -0.549 0.000 1.902 111 A HA -0.100 4.220 4.320 0.000 0.000 0.217 111 A C 2.472 179.757 177.584 -0.499 0.000 1.181 111 A CA 2.025 53.556 52.037 -0.843 0.000 0.623 111 A CB -0.596 17.710 19.000 -1.157 0.000 0.818 111 A HN 0.350 nan 8.150 nan 0.000 0.443 112 A N -0.489 122.047 122.820 -0.473 0.000 1.873 112 A HA -0.115 4.205 4.320 0.000 0.000 0.215 112 A C 1.960 179.266 177.584 -0.463 0.000 1.186 112 A CA 2.066 53.651 52.037 -0.754 0.000 0.616 112 A CB -0.513 18.228 19.000 -0.432 0.000 0.823 112 A HN 0.503 nan 8.150 nan 0.000 0.442 113 E N 0.099 120.152 120.200 -0.246 0.000 2.070 113 E HA -0.242 4.108 4.350 0.000 0.000 0.197 113 E C 1.926 178.457 176.600 -0.115 0.000 1.004 113 E CA 1.884 58.198 56.400 -0.144 0.000 0.805 113 E CB -0.266 29.393 29.700 -0.069 0.000 0.744 113 E HN 0.599 nan 8.360 nan 0.000 0.451 114 E N -0.195 119.970 120.200 -0.058 0.000 2.085 114 E HA -0.143 4.207 4.350 0.000 0.000 0.194 114 E C 1.831 178.474 176.600 0.071 0.000 0.994 114 E CA 1.622 58.053 56.400 0.052 0.000 0.801 114 E CB -0.570 29.252 29.700 0.204 0.000 0.743 114 E HN 0.311 nan 8.360 nan 0.000 0.453 115 A N 0.683 123.487 122.820 -0.026 0.000 2.019 115 A HA -0.202 4.118 4.320 0.000 0.000 0.219 115 A C 1.941 179.532 177.584 0.012 0.000 1.164 115 A CA 1.615 53.697 52.037 0.076 0.000 0.644 115 A CB -0.467 18.418 19.000 -0.191 0.000 0.805 115 A HN 0.225 nan 8.150 nan 0.000 0.449 116 K N -0.080 120.238 120.400 -0.137 0.000 2.286 116 K HA -0.189 4.131 4.320 0.000 0.000 0.203 116 K C 1.712 178.206 176.600 -0.176 0.000 1.045 116 K CA 1.631 57.834 56.287 -0.141 0.000 0.935 116 K CB -0.158 32.254 32.500 -0.147 0.000 0.737 116 K HN 0.469 nan 8.250 nan 0.000 0.460 117 K N -0.482 119.733 120.400 -0.308 0.000 2.283 117 K HA -0.088 4.232 4.320 0.000 0.000 0.202 117 K C 1.019 177.194 176.600 -0.709 0.000 1.048 117 K CA 1.075 56.993 56.287 -0.615 0.000 0.948 117 K CB 0.106 32.006 32.500 -0.999 0.000 0.742 117 K HN 0.107 nan 8.250 nan 0.000 0.458 118 F N -1.293 118.645 119.950 -0.019 0.000 2.746 118 F HA 0.315 4.842 4.527 0.000 0.000 0.313 118 F C 0.926 176.728 175.800 0.003 0.000 1.095 118 F CA -0.327 57.674 58.000 0.001 0.000 1.224 118 F CB 1.381 40.396 39.000 0.024 0.000 1.060 118 F HN -0.059 nan 8.300 nan 0.000 0.584 119 G N -0.643 108.227 108.800 0.115 0.000 2.428 119 G HA2 0.382 4.342 3.960 0.000 0.000 0.304 119 G HA3 0.382 4.342 3.960 0.000 0.000 0.304 119 G C -1.422 173.476 174.900 -0.003 0.000 1.303 119 G CA -0.703 44.433 45.100 0.060 0.000 0.825 119 G HN -0.267 nan 8.290 nan 0.000 0.484 120 T N 1.866 116.411 114.554 -0.015 0.000 2.727 120 T HA 0.486 4.837 4.350 0.000 0.000 0.298 120 T C 0.079 174.747 174.700 -0.054 0.000 0.942 120 T CA -0.141 61.936 62.100 -0.038 0.000 0.997 120 T CB 0.515 69.365 68.868 -0.029 0.000 0.917 120 T HN 0.314 nan 8.240 nan 0.000 0.487 121 I N 4.034 124.553 120.570 -0.084 0.000 2.331 121 I HA 0.334 4.504 4.170 0.000 0.000 0.292 121 I C 0.358 176.426 176.117 -0.082 0.000 0.998 121 I CA -0.954 60.280 61.300 -0.110 0.000 1.267 121 I CB 1.002 38.852 38.000 -0.249 0.000 1.386 121 I HN 0.530 nan 8.210 nan 0.000 0.476 122 N N 6.897 125.570 118.700 -0.045 0.000 2.424 122 N HA 0.424 5.164 4.740 0.000 0.000 0.271 122 N C -0.893 174.580 175.510 -0.062 0.000 0.985 122 N CA -0.364 52.654 53.050 -0.052 0.000 0.921 122 N CB 0.916 39.380 38.487 -0.038 0.000 1.149 122 N HN 0.444 nan 8.380 nan 0.000 0.492 123 I N 3.635 124.137 120.570 -0.113 0.000 2.352 123 I HA 0.088 4.258 4.170 0.000 0.000 0.290 123 I C 1.052 176.992 176.117 -0.294 0.000 1.036 123 I CA -0.466 60.709 61.300 -0.208 0.000 1.336 123 I CB 1.383 39.246 38.000 -0.228 0.000 1.407 123 I HN 0.392 nan 8.210 nan 0.000 0.497 124 V N 5.690 125.368 119.914 -0.392 0.000 3.461 124 V HA -0.064 4.056 4.120 0.000 0.000 0.267 124 V C 0.150 176.164 176.094 -0.133 0.000 1.186 124 V CA 0.788 62.942 62.300 -0.243 0.000 1.154 124 V CB -1.540 30.112 31.823 -0.286 0.000 0.802 124 V HN 0.884 nan 8.190 nan 0.000 0.474 125 H N -2.718 116.318 119.070 -0.056 0.000 2.949 125 H HA 0.690 5.246 4.556 0.000 0.000 0.356 125 H C -3.063 172.291 175.328 0.043 0.000 1.212 125 H CA -2.914 53.160 56.048 0.043 0.000 1.136 125 H CB -0.068 29.739 29.762 0.075 0.000 1.869 125 H HN -0.190 nan 8.280 nan 0.000 0.556 126 P HA 0.055 nan 4.420 nan 0.000 0.268 126 P C -0.356 177.098 177.300 0.256 0.000 1.204 126 P CA -0.359 62.838 63.100 0.162 0.000 0.768 126 P CB 0.615 32.393 31.700 0.129 0.000 0.842 127 K N 3.154 123.630 120.400 0.126 0.000 2.484 127 K HA 0.011 4.331 4.320 0.000 0.000 0.280 127 K C -0.285 176.381 176.600 0.109 0.000 1.013 127 K CA -0.260 56.106 56.287 0.131 0.000 1.029 127 K CB 0.172 32.698 32.500 0.044 0.000 0.902 127 K HN 0.292 nan 8.250 nan 0.000 0.481 128 L N 4.032 125.322 121.223 0.112 0.000 2.426 128 L HA 0.082 4.422 4.340 0.000 0.000 0.271 128 L C 1.691 178.472 176.870 -0.148 0.000 1.169 128 L CA 0.670 55.501 54.840 -0.014 0.000 0.836 128 L CB 0.692 42.745 42.059 -0.011 0.000 1.112 128 L HN 0.967 nan 8.230 nan 0.000 0.465 129 G N 2.011 110.742 108.800 -0.115 0.000 2.394 129 G HA2 -0.059 3.902 3.960 0.000 0.000 0.215 129 G HA3 -0.059 3.902 3.960 0.000 0.000 0.215 129 G C 0.405 175.182 174.900 -0.205 0.000 1.165 129 G CA 0.808 45.829 45.100 -0.132 0.000 0.784 129 G HN 0.636 nan 8.290 nan 0.000 0.535 130 S N -1.241 114.344 115.700 -0.191 0.000 2.536 130 S HA 0.536 5.006 4.470 0.000 0.000 0.287 130 S C -1.106 173.390 174.600 -0.173 0.000 1.101 130 S CA -0.882 57.206 58.200 -0.187 0.000 0.950 130 S CB 1.538 64.707 63.200 -0.051 0.000 1.056 130 S HN 0.101 nan 8.310 nan 0.000 0.481 131 Y N 2.538 122.803 120.300 -0.059 0.000 2.623 131 Y HA 0.277 4.828 4.550 0.000 0.000 0.341 131 Y C 1.743 177.643 175.900 -0.000 0.000 1.292 131 Y CA -0.440 57.594 58.100 -0.110 0.000 1.840 131 Y CB -0.544 37.661 38.460 -0.426 0.000 1.865 131 Y HN 0.947 nan 8.280 nan 0.000 0.440 132 T N -2.453 112.183 114.554 0.137 0.000 3.084 132 T HA 0.271 4.621 4.350 0.000 0.000 0.270 132 T C 0.114 174.859 174.700 0.074 0.000 1.008 132 T CA -0.469 61.696 62.100 0.108 0.000 0.900 132 T CB 0.049 68.962 68.868 0.075 0.000 1.084 132 T HN 0.462 nan 8.240 nan 0.000 0.538 133 K N 0.423 120.864 120.400 0.068 0.000 2.642 133 K HA 0.547 4.867 4.320 0.000 0.000 0.290 133 K C -1.972 174.629 176.600 0.002 0.000 1.006 133 K CA -1.129 55.172 56.287 0.024 0.000 0.869 133 K CB 0.722 33.229 32.500 0.011 0.000 1.499 133 K HN 0.067 nan 8.250 nan 0.000 0.403 134 I N 2.117 122.659 120.570 -0.046 0.000 2.304 134 I HA 0.263 4.433 4.170 0.000 0.000 0.291 134 I C -2.154 173.976 176.117 0.022 0.000 1.018 134 I CA -2.317 58.947 61.300 -0.061 0.000 1.260 134 I CB 1.258 39.108 38.000 -0.251 0.000 1.390 134 I HN 0.425 nan 8.210 nan 0.000 0.475 135 P HA -0.062 nan 4.420 nan 0.000 0.265 135 P C -0.454 176.988 177.300 0.236 0.000 1.193 135 P CA -0.183 62.986 63.100 0.115 0.000 0.765 135 P CB 0.329 32.029 31.700 -0.000 0.000 0.823 136 D N 4.996 125.443 120.400 0.079 0.000 2.554 136 D HA -0.068 4.572 4.640 0.000 0.000 0.251 136 D C -1.332 174.786 176.300 -0.303 0.000 1.213 136 D CA -1.184 52.766 54.000 -0.084 0.000 0.900 136 D CB 0.280 41.043 40.800 -0.062 0.000 1.135 136 D HN 0.175 nan 8.370 nan 0.000 0.522 137 P HA -0.138 nan 4.420 nan 0.000 0.221 137 P C 1.038 177.835 177.300 -0.837 0.000 1.145 137 P CA 1.041 63.155 63.100 -1.644 0.000 0.795 137 P CB 0.053 31.029 31.700 -1.207 0.000 0.775 138 S N -2.227 113.225 115.700 -0.413 0.000 2.562 138 S HA -0.029 4.442 4.470 0.000 0.000 0.221 138 S C 1.555 176.114 174.600 -0.069 0.000 0.975 138 S CA 1.030 59.108 58.200 -0.203 0.000 0.918 138 S CB -1.486 61.617 63.200 -0.163 0.000 0.772 138 S HN 0.263 nan 8.310 nan 0.000 0.531 139 T N -3.321 111.221 114.554 -0.020 0.000 3.086 139 T HA 0.216 4.566 4.350 0.000 0.000 0.250 139 T C -0.056 174.822 174.700 0.296 0.000 1.074 139 T CA -0.716 61.455 62.100 0.118 0.000 0.988 139 T CB -0.503 68.440 68.868 0.125 0.000 0.988 139 T HN 0.316 nan 8.240 nan 0.000 0.530 140 W N 3.198 124.547 121.300 0.081 0.000 2.264 140 W HA 0.396 5.056 4.660 0.000 0.000 0.331 140 W C 0.447 177.009 176.519 0.072 0.000 1.364 140 W CA -1.395 56.014 57.345 0.107 0.000 1.253 140 W CB -0.582 28.949 29.460 0.118 0.000 1.215 140 W HN 0.160 nan 8.180 nan 0.000 0.561 141 N N 3.991 122.845 118.700 0.257 0.000 2.719 141 N HA 0.243 4.983 4.740 0.000 0.000 0.243 141 N C -0.911 174.666 175.510 0.112 0.000 1.104 141 N CA -0.046 53.090 53.050 0.143 0.000 0.981 141 N CB -0.158 38.381 38.487 0.086 0.000 1.290 141 N HN 0.245 nan 8.380 nan 0.000 0.513 142 L N 1.541 122.844 121.223 0.132 0.000 2.350 142 L HA 0.350 4.690 4.340 0.000 0.000 0.275 142 L C 0.673 177.579 176.870 0.061 0.000 1.099 142 L CA -0.828 54.076 54.840 0.106 0.000 0.808 142 L CB 0.676 42.820 42.059 0.142 0.000 1.149 142 L HN 0.411 nan 8.230 nan 0.000 0.442 143 N N 3.625 122.347 118.700 0.037 0.000 2.414 143 N HA 0.215 4.955 4.740 0.000 0.000 0.256 143 N C -1.797 173.725 175.510 0.020 0.000 1.029 143 N CA -2.017 51.044 53.050 0.019 0.000 0.948 143 N CB 1.448 39.934 38.487 -0.002 0.000 1.102 143 N HN 0.251 nan 8.380 nan 0.000 0.496 144 P HA -0.029 nan 4.420 nan 0.000 0.222 144 P C -0.295 177.011 177.300 0.010 0.000 1.147 144 P CA 1.157 64.269 63.100 0.020 0.000 0.790 144 P CB 0.398 32.109 31.700 0.019 0.000 0.780 145 D N -0.710 119.692 120.400 0.004 0.000 2.388 145 D HA 0.217 4.858 4.640 0.000 0.000 0.221 145 D C 0.597 176.888 176.300 -0.015 0.000 1.133 145 D CA -0.124 53.873 54.000 -0.004 0.000 0.831 145 D CB 0.170 40.968 40.800 -0.003 0.000 0.962 145 D HN 0.088 nan 8.370 nan 0.000 0.502 146 A N 0.396 123.204 122.820 -0.020 0.000 2.462 146 A HA 0.173 4.493 4.320 0.000 0.000 0.243 146 A C 1.554 179.113 177.584 -0.042 0.000 1.076 146 A CA -0.124 51.882 52.037 -0.052 0.000 0.773 146 A CB 0.664 19.626 19.000 -0.063 0.000 1.010 146 A HN 0.041 nan 8.150 nan 0.000 0.493 147 S N 0.021 115.681 115.700 -0.066 0.000 2.402 147 S HA 0.103 4.574 4.470 0.000 0.000 0.229 147 S C 0.045 174.731 174.600 0.144 0.000 1.021 147 S CA 1.864 60.075 58.200 0.018 0.000 0.974 147 S CB -0.482 62.763 63.200 0.074 0.000 0.800 147 S HN 0.925 nan 8.310 nan 0.000 0.484 148 Y N -3.102 117.223 120.300 0.042 0.000 2.702 148 Y HA 0.638 5.188 4.550 0.000 0.000 0.336 148 Y C -1.581 174.351 175.900 0.053 0.000 1.203 148 Y CA -1.583 56.548 58.100 0.053 0.000 1.072 148 Y CB 0.736 39.240 38.460 0.073 0.000 1.327 148 Y HN -0.287 nan 8.280 nan 0.000 0.456 149 V N 2.657 122.714 119.914 0.239 0.000 2.513 149 V HA 0.434 4.554 4.120 0.000 0.000 0.299 149 V C -1.235 175.017 176.094 0.264 0.000 1.035 149 V CA -0.716 61.674 62.300 0.151 0.000 0.889 149 V CB 1.470 33.382 31.823 0.148 0.000 0.988 149 V HN 0.824 nan 8.190 nan 0.000 0.440 150 Y N 6.027 126.270 120.300 -0.094 0.000 2.409 150 Y HA 0.770 5.320 4.550 0.000 0.000 0.343 150 Y C -0.825 175.032 175.900 -0.073 0.000 0.973 150 Y CA -0.825 57.165 58.100 -0.184 0.000 1.064 150 Y CB 1.816 39.792 38.460 -0.807 0.000 1.207 150 Y HN 0.724 nan 8.280 nan 0.000 0.452 151 Y N 2.770 122.755 120.300 -0.524 0.000 2.638 151 Y HA 0.603 5.154 4.550 0.000 0.000 0.335 151 Y C -1.752 173.841 175.900 -0.512 0.000 1.155 151 Y CA -1.965 55.924 58.100 -0.352 0.000 1.046 151 Y CB 0.808 39.035 38.460 -0.389 0.000 1.303 151 Y HN 0.795 nan 8.280 nan 0.000 0.460 152 C N 2.953 122.146 119.300 -0.177 0.000 2.281 152 C HA 0.786 5.246 4.460 0.000 0.000 0.325 152 C C 1.490 176.437 174.990 -0.071 0.000 1.282 152 C CA 0.262 59.163 59.018 -0.195 0.000 1.640 152 C CB -0.281 27.531 27.740 0.120 0.000 2.288 152 C HN 1.114 nan 8.230 nan 0.000 0.507 153 A N 4.823 127.482 122.820 -0.269 0.000 1.933 153 A HA -0.013 4.308 4.320 0.000 0.000 0.218 153 A C 0.870 178.590 177.584 0.227 0.000 1.175 153 A CA 1.697 53.721 52.037 -0.022 0.000 0.628 153 A CB -0.328 18.580 19.000 -0.153 0.000 0.814 153 A HN 0.941 nan 8.150 nan 0.000 0.444 154 N N 0.126 118.918 118.700 0.154 0.000 2.571 154 N HA 0.178 4.918 4.740 0.000 0.000 0.286 154 N C -1.708 173.938 175.510 0.226 0.000 1.138 154 N CA -0.303 52.864 53.050 0.196 0.000 0.859 154 N CB 1.010 39.588 38.487 0.152 0.000 1.414 154 N HN 0.033 nan 8.380 nan 0.000 0.529 155 E N 2.411 122.769 120.200 0.263 0.000 2.003 155 E HA 0.116 4.466 4.350 0.000 0.000 0.279 155 E C 0.442 177.236 176.600 0.325 0.000 1.132 155 E CA 0.058 56.648 56.400 0.317 0.000 0.888 155 E CB 0.828 30.673 29.700 0.242 0.000 1.056 155 E HN 0.629 nan 8.360 nan 0.000 0.399 156 T N 0.867 115.672 114.554 0.418 0.000 2.962 156 T HA -0.064 4.286 4.350 0.000 0.000 0.270 156 T C 1.683 176.525 174.700 0.237 0.000 1.088 156 T CA 0.442 62.747 62.100 0.342 0.000 1.127 156 T CB 0.305 69.422 68.868 0.415 0.000 0.883 156 T HN 0.161 nan 8.240 nan 0.000 0.493 157 V N 0.286 120.284 119.914 0.140 0.000 3.307 157 V HA 0.088 4.209 4.120 0.000 0.000 0.253 157 V C 1.521 177.467 176.094 -0.247 0.000 1.149 157 V CA 0.952 63.165 62.300 -0.145 0.000 1.112 157 V CB -0.140 31.379 31.823 -0.508 0.000 0.777 157 V HN 0.516 nan 8.190 nan 0.000 0.464 158 H N -0.477 118.642 119.070 0.081 0.000 2.740 158 H HA 0.423 4.980 4.556 0.000 0.000 0.265 158 H C 1.681 177.084 175.328 0.125 0.000 0.978 158 H CA 0.580 56.691 56.048 0.104 0.000 1.198 158 H CB 0.745 30.576 29.762 0.115 0.000 1.467 158 H HN 0.378 nan 8.280 nan 0.000 0.511 159 G N 1.046 109.979 108.800 0.221 0.000 2.198 159 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 159 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 159 G C -0.364 174.653 174.900 0.196 0.000 1.042 159 G CA 0.364 45.584 45.100 0.200 0.000 0.791 159 G HN 0.232 nan 8.290 nan 0.000 0.502 160 V N 0.256 120.287 119.914 0.196 0.000 2.347 160 V HA 0.639 4.759 4.120 0.000 0.000 0.280 160 V C 0.269 176.461 176.094 0.162 0.000 1.021 160 V CA -0.567 61.822 62.300 0.148 0.000 0.847 160 V CB 1.760 33.656 31.823 0.122 0.000 0.990 160 V HN 0.423 nan 8.190 nan 0.000 0.444 161 E N 3.640 123.916 120.200 0.127 0.000 2.234 161 E HA 0.486 4.837 4.350 0.000 0.000 0.266 161 E C -1.345 175.326 176.600 0.119 0.000 0.877 161 E CA -0.773 55.732 56.400 0.175 0.000 0.758 161 E CB 1.519 31.314 29.700 0.159 0.000 1.170 161 E HN 0.523 nan 8.360 nan 0.000 0.415 162 F N 3.203 123.177 119.950 0.041 0.000 2.504 162 F HA 0.042 4.569 4.527 0.000 0.000 0.369 162 F C 1.234 176.994 175.800 -0.066 0.000 1.082 162 F CA 0.176 58.101 58.000 -0.125 0.000 1.216 162 F CB 0.709 39.594 39.000 -0.192 0.000 1.108 162 F HN 0.449 nan 8.300 nan 0.000 0.554 163 D N 3.781 124.265 120.400 0.141 0.000 2.593 163 D HA 0.127 4.767 4.640 0.000 0.000 0.241 163 D C -0.566 175.910 176.300 0.294 0.000 1.257 163 D CA -0.046 54.070 54.000 0.193 0.000 0.828 163 D CB -0.436 40.467 40.800 0.172 0.000 1.049 163 D HN 0.265 nan 8.370 nan 0.000 0.490 164 F N -1.877 118.179 119.950 0.177 0.000 2.741 164 F HA 0.583 5.110 4.527 0.000 0.000 0.313 164 F C -1.708 174.208 175.800 0.193 0.000 1.153 164 F CA -1.602 56.476 58.000 0.129 0.000 0.931 164 F CB 0.946 39.979 39.000 0.054 0.000 1.335 164 F HN -0.285 nan 8.300 nan 0.000 0.460 165 I N 3.520 124.212 120.570 0.203 0.000 2.330 165 I HA 0.360 4.530 4.170 0.000 0.000 0.289 165 I C -2.221 173.968 176.117 0.120 0.000 1.001 165 I CA -1.958 59.370 61.300 0.048 0.000 1.193 165 I CB 1.488 39.480 38.000 -0.013 0.000 1.345 165 I HN 0.372 nan 8.210 nan 0.000 0.461 166 P HA 0.031 nan 4.420 nan 0.000 0.271 166 P C -0.766 176.528 177.300 -0.010 0.000 1.218 166 P CA -0.223 62.936 63.100 0.099 0.000 0.780 166 P CB 0.814 32.488 31.700 -0.043 0.000 0.901 167 D N 2.042 122.416 120.400 -0.043 0.000 2.359 167 D HA 0.069 4.709 4.640 0.000 0.000 0.250 167 D C 0.709 177.011 176.300 0.002 0.000 1.264 167 D CA -0.363 53.613 54.000 -0.040 0.000 0.911 167 D CB -0.082 40.677 40.800 -0.068 0.000 1.056 167 D HN 0.093 nan 8.370 nan 0.000 0.499 168 V N 0.923 120.870 119.914 0.054 0.000 3.110 168 V HA 0.262 4.383 4.120 0.000 0.000 0.368 168 V C 0.486 176.630 176.094 0.084 0.000 1.332 168 V CA -0.723 61.653 62.300 0.127 0.000 1.287 168 V CB -1.176 30.750 31.823 0.172 0.000 1.277 168 V HN 0.644 nan 8.190 nan 0.000 0.502 169 K N 1.322 121.749 120.400 0.046 0.000 3.148 169 K HA -0.216 4.105 4.320 0.000 0.000 0.267 169 K C 1.191 177.810 176.600 0.031 0.000 0.996 169 K CA 0.568 56.875 56.287 0.033 0.000 0.737 169 K CB -1.877 30.648 32.500 0.042 0.000 1.308 169 K HN 1.427 nan 8.250 nan 0.000 0.470 170 G N -1.457 107.357 108.800 0.024 0.000 2.184 170 G HA2 -0.331 3.629 3.960 0.000 0.000 0.264 170 G HA3 -0.331 3.629 3.960 0.000 0.000 0.264 170 G C 0.343 175.262 174.900 0.033 0.000 0.975 170 G CA 0.455 45.568 45.100 0.022 0.000 0.642 170 G HN 0.960 nan 8.290 nan 0.000 0.536 171 A N -0.296 122.554 122.820 0.049 0.000 2.406 171 A HA 0.629 4.949 4.320 0.000 0.000 0.243 171 A C 0.934 178.566 177.584 0.079 0.000 1.082 171 A CA 0.400 52.477 52.037 0.065 0.000 0.786 171 A CB 0.648 19.699 19.000 0.084 0.000 1.029 171 A HN 1.191 nan 8.150 nan 0.000 0.495 172 V N 2.030 122.004 119.914 0.101 0.000 2.450 172 V HA 0.066 4.186 4.120 0.000 0.000 0.281 172 V C 0.098 176.299 176.094 0.177 0.000 1.019 172 V CA 0.228 62.605 62.300 0.128 0.000 1.062 172 V CB 0.158 32.061 31.823 0.134 0.000 0.979 172 V HN 0.633 nan 8.190 nan 0.000 0.477 173 L N 7.727 129.043 121.223 0.155 0.000 2.282 173 L HA 0.566 4.906 4.340 0.000 0.000 0.288 173 L C -0.244 176.766 176.870 0.233 0.000 1.033 173 L CA 0.308 55.263 54.840 0.192 0.000 0.807 173 L CB 1.583 43.696 42.059 0.090 0.000 1.209 173 L HN 0.420 nan 8.230 nan 0.000 0.423 174 V N 4.481 124.491 119.914 0.161 0.000 2.495 174 V HA 0.475 4.595 4.120 0.000 0.000 0.298 174 V C -0.556 175.337 176.094 -0.335 0.000 1.031 174 V CA -0.617 61.683 62.300 -0.000 0.000 0.871 174 V CB 1.591 33.402 31.823 -0.020 0.000 0.988 174 V HN 0.890 nan 8.190 nan 0.000 0.432 175 C N 4.006 123.028 119.300 -0.464 0.000 2.397 175 C HA 0.486 4.947 4.460 0.000 0.000 0.325 175 C C -0.481 173.868 174.990 -1.067 0.000 1.201 175 C CA -0.691 57.773 59.018 -0.923 0.000 1.377 175 C CB 0.815 28.017 27.740 -0.895 0.000 2.038 175 C HN 0.961 nan 8.230 nan 0.000 0.457 176 D N 4.710 124.408 120.400 -1.170 0.000 2.338 176 D HA 0.216 4.856 4.640 0.000 0.000 0.255 176 D C 0.408 176.243 176.300 -0.775 0.000 1.237 176 D CA 0.342 53.600 54.000 -1.235 0.000 0.883 176 D CB 0.679 41.197 40.800 -0.470 0.000 1.087 176 D HN 0.687 nan 8.370 nan 0.000 0.485 177 M N 2.077 121.244 119.600 -0.722 0.000 2.405 177 M HA 0.022 4.503 4.480 0.000 0.000 0.292 177 M C 1.758 177.949 176.300 -0.181 0.000 1.111 177 M CA -0.310 54.782 55.300 -0.347 0.000 0.979 177 M CB 0.492 32.956 32.600 -0.227 0.000 1.426 177 M HN 0.202 nan 8.290 nan 0.000 0.509 178 S N 1.036 116.577 115.700 -0.266 0.000 2.406 178 S HA -0.215 4.255 4.470 0.000 0.000 0.242 178 S C 1.799 176.350 174.600 -0.081 0.000 1.079 178 S CA 2.412 60.500 58.200 -0.186 0.000 1.133 178 S CB -0.342 62.718 63.200 -0.232 0.000 1.005 178 S HN 0.702 nan 8.310 nan 0.000 0.443 179 S N 1.213 116.898 115.700 -0.025 0.000 2.556 179 S HA 0.112 4.582 4.470 0.000 0.000 0.216 179 S C 0.726 175.457 174.600 0.218 0.000 0.970 179 S CA 0.292 58.557 58.200 0.109 0.000 0.912 179 S CB -0.150 63.157 63.200 0.178 0.000 0.790 179 S HN 0.678 nan 8.310 nan 0.000 0.504 180 N N 0.127 118.909 118.700 0.138 0.000 2.240 180 N HA 0.189 4.929 4.740 0.000 0.000 0.240 180 N C -0.574 174.995 175.510 0.099 0.000 1.277 180 N CA -0.839 52.294 53.050 0.139 0.000 0.873 180 N CB -0.878 37.672 38.487 0.105 0.000 1.222 180 N HN 0.286 nan 8.380 nan 0.000 0.507 181 F N 2.643 122.566 119.950 -0.045 0.000 2.557 181 F HA 0.193 4.720 4.527 0.000 0.000 0.384 181 F C 1.138 176.921 175.800 -0.028 0.000 1.057 181 F CA 0.132 58.085 58.000 -0.078 0.000 1.169 181 F CB 0.180 39.117 39.000 -0.105 0.000 1.070 181 F HN 0.153 nan 8.300 nan 0.000 0.554 182 L N 4.252 125.131 121.223 -0.573 0.000 3.898 182 L HA -0.304 4.036 4.340 0.000 0.000 0.407 182 L C 1.228 178.026 176.870 -0.120 0.000 1.207 182 L CA 0.755 55.348 54.840 -0.411 0.000 0.931 182 L CB -1.723 40.094 42.059 -0.403 0.000 2.014 182 L HN 0.785 nan 8.230 nan 0.000 0.858 183 S N -1.084 114.576 115.700 -0.067 0.000 2.556 183 S HA 0.209 4.680 4.470 0.000 0.000 0.216 183 S C 0.421 175.015 174.600 -0.011 0.000 0.970 183 S CA 0.532 58.740 58.200 0.014 0.000 0.912 183 S CB 0.355 63.595 63.200 0.066 0.000 0.790 183 S HN 0.610 nan 8.310 nan 0.000 0.504 184 K N -1.023 119.340 120.400 -0.063 0.000 2.685 184 K HA 0.453 4.773 4.320 0.000 0.000 0.290 184 K C -3.694 172.850 176.600 -0.093 0.000 1.018 184 K CA -1.785 54.471 56.287 -0.052 0.000 0.860 184 K CB -0.318 32.174 32.500 -0.014 0.000 1.498 184 K HN -0.160 nan 8.250 nan 0.000 0.390 185 P HA 0.178 nan 4.420 nan 0.000 0.270 185 P C -0.977 176.284 177.300 -0.065 0.000 1.223 185 P CA -0.542 62.511 63.100 -0.077 0.000 0.785 185 P CB 0.600 32.274 31.700 -0.043 0.000 0.923 186 V N 1.283 121.153 119.914 -0.074 0.000 2.733 186 V HA 0.176 4.296 4.120 0.000 0.000 0.306 186 V C -0.477 175.625 176.094 0.014 0.000 1.084 186 V CA -0.537 61.743 62.300 -0.032 0.000 0.905 186 V CB 1.973 33.715 31.823 -0.134 0.000 1.010 186 V HN 0.466 nan 8.190 nan 0.000 0.424 187 D N 3.670 124.134 120.400 0.107 0.000 2.470 187 D HA 0.162 4.802 4.640 0.000 0.000 0.226 187 D C 1.016 177.437 176.300 0.202 0.000 1.196 187 D CA 0.098 54.161 54.000 0.105 0.000 0.979 187 D CB 1.237 42.087 40.800 0.083 0.000 1.059 187 D HN 0.235 nan 8.370 nan 0.000 0.515 188 V N 2.901 122.853 119.914 0.064 0.000 2.469 188 V HA -0.251 3.869 4.120 0.000 0.000 0.251 188 V C 2.411 178.505 176.094 -0.001 0.000 1.064 188 V CA 2.064 64.341 62.300 -0.039 0.000 1.066 188 V CB -0.731 30.872 31.823 -0.367 0.000 0.667 188 V HN 0.680 nan 8.190 nan 0.000 0.461 189 S N -0.783 114.947 115.700 0.050 0.000 2.555 189 S HA -0.080 4.390 4.470 0.000 0.000 0.230 189 S C 1.686 176.391 174.600 0.176 0.000 0.978 189 S CA 0.483 58.807 58.200 0.207 0.000 0.934 189 S CB -0.257 63.053 63.200 0.184 0.000 0.766 189 S HN 0.470 nan 8.310 nan 0.000 0.533 190 K N 0.536 120.961 120.400 0.041 0.000 2.432 190 K HA 0.269 4.590 4.320 0.000 0.000 0.196 190 K C -0.462 175.937 176.600 -0.334 0.000 1.038 190 K CA 0.175 56.328 56.287 -0.222 0.000 0.986 190 K CB -0.225 32.003 32.500 -0.453 0.000 0.782 190 K HN 0.495 nan 8.250 nan 0.000 0.485 191 F N -0.966 119.051 119.950 0.111 0.000 2.458 191 F HA 0.335 4.862 4.527 0.000 0.000 0.330 191 F C 1.738 177.669 175.800 0.218 0.000 1.082 191 F CA -0.800 57.267 58.000 0.112 0.000 0.995 191 F CB 1.438 40.445 39.000 0.011 0.000 1.170 191 F HN -0.120 nan 8.300 nan 0.000 0.478 192 G N 0.770 109.767 108.800 0.329 0.000 2.404 192 G HA2 0.197 4.157 3.960 0.000 0.000 0.213 192 G HA3 0.197 4.157 3.960 0.000 0.000 0.213 192 G C -0.208 174.834 174.900 0.236 0.000 1.189 192 G CA 0.491 45.735 45.100 0.241 0.000 0.796 192 G HN 0.348 nan 8.290 nan 0.000 0.532 193 V N 0.758 120.780 119.914 0.181 0.000 2.686 193 V HA 0.490 4.611 4.120 0.000 0.000 0.306 193 V C -0.994 175.091 176.094 -0.015 0.000 1.065 193 V CA -0.629 61.711 62.300 0.067 0.000 0.894 193 V CB 2.153 33.998 31.823 0.036 0.000 1.004 193 V HN 0.182 nan 8.190 nan 0.000 0.424 194 I N 5.475 125.973 120.570 -0.120 0.000 2.474 194 I HA 0.653 4.823 4.170 0.000 0.000 0.294 194 I C -0.781 175.245 176.117 -0.152 0.000 1.005 194 I CA -0.523 60.608 61.300 -0.283 0.000 1.113 194 I CB 1.697 39.450 38.000 -0.412 0.000 1.289 194 I HN 0.713 nan 8.210 nan 0.000 0.436 195 F N 4.428 124.210 119.950 -0.280 0.000 2.620 195 F HA 0.971 5.498 4.527 0.000 0.000 0.320 195 F C -0.924 174.674 175.800 -0.336 0.000 1.069 195 F CA -1.102 56.725 58.000 -0.288 0.000 0.953 195 F CB 1.816 40.708 39.000 -0.181 0.000 1.322 195 F HN 0.415 nan 8.300 nan 0.000 0.479 196 A N 1.291 123.982 122.820 -0.215 0.000 2.500 196 A HA 0.624 4.945 4.320 0.000 0.000 0.291 196 A C -0.477 176.972 177.584 -0.224 0.000 1.048 196 A CA -0.322 51.510 52.037 -0.341 0.000 0.791 196 A CB 0.540 19.104 19.000 -0.728 0.000 1.309 196 A HN 1.642 nan 8.150 nan 0.000 0.397 197 G N 0.900 109.618 108.800 -0.137 0.000 2.398 197 G HA2 0.536 4.496 3.960 0.000 0.000 0.246 197 G HA3 0.536 4.496 3.960 0.000 0.000 0.246 197 G C 1.071 175.874 174.900 -0.161 0.000 1.289 197 G CA 0.350 45.365 45.100 -0.141 0.000 0.869 197 G HN 1.811 nan 8.290 nan 0.000 0.543 198 A N 2.147 124.889 122.820 -0.129 0.000 2.019 198 A HA -0.110 4.210 4.320 0.000 0.000 0.219 198 A C 2.364 179.874 177.584 -0.123 0.000 1.164 198 A CA 1.794 53.764 52.037 -0.112 0.000 0.644 198 A CB -0.228 18.722 19.000 -0.084 0.000 0.805 198 A HN 0.771 nan 8.150 nan 0.000 0.449 199 Q N -0.057 119.660 119.800 -0.139 0.000 2.084 199 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 199 Q C 1.317 177.178 176.000 -0.231 0.000 0.978 199 Q CA 1.584 57.293 55.803 -0.157 0.000 0.844 199 Q CB -0.512 28.146 28.738 -0.133 0.000 0.898 199 Q HN 0.401 nan 8.270 nan 0.000 0.426 200 K N 0.675 120.913 120.400 -0.271 0.000 2.063 200 K HA -0.096 4.224 4.320 0.000 0.000 0.208 200 K C 1.393 177.599 176.600 -0.656 0.000 1.048 200 K CA 1.776 57.780 56.287 -0.471 0.000 0.928 200 K CB -0.141 32.155 32.500 -0.340 0.000 0.713 200 K HN 0.370 nan 8.250 nan 0.000 0.442 201 N N -1.530 116.990 118.700 -0.299 0.000 2.149 201 N HA -0.018 4.722 4.740 0.000 0.000 0.229 201 N C 0.266 175.764 175.510 -0.019 0.000 1.284 201 N CA 0.103 53.070 53.050 -0.138 0.000 0.864 201 N CB 1.039 39.556 38.487 0.049 0.000 1.169 201 N HN -0.090 nan 8.380 nan 0.000 0.478 202 V N -0.545 119.360 119.914 -0.015 0.000 3.252 202 V HA 0.722 4.842 4.120 0.000 0.000 0.320 202 V C 0.422 176.502 176.094 -0.023 0.000 1.459 202 V CA 0.745 63.076 62.300 0.051 0.000 1.095 202 V CB 0.309 32.254 31.823 0.203 0.000 0.997 202 V HN 0.388 nan 8.190 nan 0.000 0.469 203 G N -0.119 108.628 108.800 -0.088 0.000 2.564 203 G HA2 0.305 4.265 3.960 0.000 0.000 0.139 203 G HA3 0.305 4.265 3.960 0.000 0.000 0.139 203 G C -0.967 173.858 174.900 -0.126 0.000 1.147 203 G CA 0.412 45.440 45.100 -0.120 0.000 1.031 203 G HN 0.395 nan 8.290 nan 0.000 0.482 204 S N -0.710 114.925 115.700 -0.108 0.000 2.599 204 S HA 0.757 5.227 4.470 0.000 0.000 0.294 204 S C 0.426 174.988 174.600 -0.063 0.000 1.094 204 S CA 0.624 58.775 58.200 -0.082 0.000 0.931 204 S CB 1.134 64.306 63.200 -0.046 0.000 1.093 204 S HN 1.947 nan 8.310 nan 0.000 0.488 205 A N 1.086 123.872 122.820 -0.057 0.000 2.520 205 A HA 0.515 4.835 4.320 0.000 0.000 0.235 205 A C 1.381 178.948 177.584 -0.029 0.000 1.065 205 A CA 0.718 52.724 52.037 -0.052 0.000 0.764 205 A CB -0.929 18.041 19.000 -0.049 0.000 1.002 205 A HN 1.997 nan 8.150 nan 0.000 0.502 206 G N -0.281 108.498 108.800 -0.035 0.000 2.380 206 G HA2 0.036 3.996 3.960 0.000 0.000 0.197 206 G HA3 0.036 3.996 3.960 0.000 0.000 0.197 206 G C 0.135 175.024 174.900 -0.017 0.000 1.001 206 G CA 0.256 45.344 45.100 -0.020 0.000 0.668 206 G HN 1.917 nan 8.290 nan 0.000 0.483 207 V N 1.357 121.257 119.914 -0.024 0.000 2.823 207 V HA 0.871 4.991 4.120 0.000 0.000 0.312 207 V C -0.759 175.328 176.094 -0.012 0.000 1.072 207 V CA 0.294 62.593 62.300 -0.001 0.000 0.937 207 V CB 2.337 34.160 31.823 -0.000 0.000 1.013 207 V HN 0.393 nan 8.190 nan 0.000 0.430 208 T N 4.574 119.140 114.554 0.019 0.000 2.841 208 T HA 0.397 4.748 4.350 0.000 0.000 0.285 208 T C -0.842 173.867 174.700 0.014 0.000 0.991 208 T CA -0.247 61.840 62.100 -0.021 0.000 0.966 208 T CB 1.490 70.328 68.868 -0.050 0.000 0.962 208 T HN 0.663 nan 8.240 nan 0.000 0.438 209 V N 4.852 124.720 119.914 -0.077 0.000 2.498 209 V HA 0.621 4.742 4.120 0.000 0.000 0.279 209 V C -0.676 175.276 176.094 -0.237 0.000 1.048 209 V CA -0.078 62.133 62.300 -0.148 0.000 0.967 209 V CB 0.858 32.574 31.823 -0.179 0.000 0.988 209 V HN 0.720 nan 8.190 nan 0.000 0.473 210 V N 8.122 127.871 119.914 -0.275 0.000 2.483 210 V HA 0.506 4.626 4.120 0.000 0.000 0.297 210 V C -0.207 175.709 176.094 -0.297 0.000 1.027 210 V CA -0.481 61.664 62.300 -0.258 0.000 0.855 210 V CB 1.613 33.247 31.823 -0.315 0.000 0.995 210 V HN 0.746 nan 8.190 nan 0.000 0.424 211 I N 5.045 125.483 120.570 -0.220 0.000 2.339 211 I HA 0.569 4.739 4.170 0.000 0.000 0.290 211 I C -0.669 175.404 176.117 -0.074 0.000 0.994 211 I CA -0.652 60.562 61.300 -0.142 0.000 1.191 211 I CB 1.797 39.722 38.000 -0.126 0.000 1.343 211 I HN 0.293 nan 8.210 nan 0.000 0.458 212 V N 6.368 126.276 119.914 -0.010 0.000 2.525 212 V HA 0.389 4.509 4.120 0.000 0.000 0.299 212 V C 0.147 176.281 176.094 0.066 0.000 1.034 212 V CA -0.814 61.471 62.300 -0.024 0.000 0.863 212 V CB 1.842 33.511 31.823 -0.256 0.000 0.999 212 V HN 0.675 nan 8.190 nan 0.000 0.423 213 R N 2.391 122.902 120.500 0.019 0.000 2.537 213 R HA 0.074 4.414 4.340 0.000 0.000 0.280 213 R C 1.024 177.204 176.300 -0.201 0.000 1.058 213 R CA -0.032 55.832 56.100 -0.393 0.000 1.057 213 R CB 0.662 30.734 30.300 -0.379 0.000 0.973 213 R HN 0.944 nan 8.270 nan 0.000 0.438 214 D N 1.988 122.241 120.400 -0.244 0.000 2.350 214 D HA -0.179 4.461 4.640 0.000 0.000 0.216 214 D C 0.575 176.850 176.300 -0.041 0.000 0.968 214 D CA 0.882 54.818 54.000 -0.107 0.000 0.894 214 D CB 0.046 40.788 40.800 -0.097 0.000 0.909 214 D HN 0.647 nan 8.370 nan 0.000 0.520 215 D N 0.215 120.597 120.400 -0.031 0.000 2.339 215 D HA -0.050 4.590 4.640 0.000 0.000 0.217 215 D C 1.425 177.831 176.300 0.177 0.000 1.050 215 D CA -0.107 53.925 54.000 0.053 0.000 0.856 215 D CB -0.281 40.539 40.800 0.032 0.000 0.922 215 D HN 0.314 nan 8.370 nan 0.000 0.518 216 L N 0.133 121.448 121.223 0.154 0.000 2.640 216 L HA 0.278 4.618 4.340 0.000 0.000 0.230 216 L C 0.664 177.731 176.870 0.328 0.000 1.123 216 L CA -0.136 54.869 54.840 0.274 0.000 0.900 216 L CB 0.153 42.310 42.059 0.163 0.000 1.146 216 L HN -0.116 nan 8.230 nan 0.000 0.484 217 L N -0.730 120.596 121.223 0.173 0.000 2.439 217 L HA 0.507 4.848 4.340 0.000 0.000 0.259 217 L C 1.384 178.187 176.870 -0.111 0.000 1.129 217 L CA 0.099 54.987 54.840 0.081 0.000 0.803 217 L CB 0.446 42.521 42.059 0.028 0.000 1.161 217 L HN 0.185 nan 8.230 nan 0.000 0.462 218 G N 0.309 109.003 108.800 -0.178 0.000 2.157 218 G HA2 -0.287 3.673 3.960 0.000 0.000 0.248 218 G HA3 -0.287 3.673 3.960 0.000 0.000 0.248 218 G C 0.172 174.652 174.900 -0.701 0.000 0.979 218 G CA 0.099 44.947 45.100 -0.420 0.000 0.650 218 G HN 0.496 nan 8.290 nan 0.000 0.529 219 F N 1.426 121.373 119.950 -0.005 0.000 2.668 219 F HA 0.694 5.221 4.527 0.000 0.000 0.301 219 F C 1.466 177.250 175.800 -0.027 0.000 1.106 219 F CA -0.438 57.561 58.000 -0.003 0.000 1.289 219 F CB 0.410 39.422 39.000 0.020 0.000 1.006 219 F HN 0.388 nan 8.300 nan 0.000 0.535 220 A N 1.470 124.305 122.820 0.025 0.000 2.440 220 A HA 0.433 4.753 4.320 0.000 0.000 0.251 220 A C 0.416 177.986 177.584 -0.023 0.000 1.089 220 A CA -0.415 51.600 52.037 -0.036 0.000 0.779 220 A CB 0.097 19.028 19.000 -0.115 0.000 1.022 220 A HN 0.334 nan 8.150 nan 0.000 0.492 221 L N 2.027 123.235 121.223 -0.026 0.000 2.499 221 L HA 0.046 4.387 4.340 0.000 0.000 0.281 221 L C 2.051 178.910 176.870 -0.019 0.000 1.234 221 L CA -0.050 54.788 54.840 -0.004 0.000 0.839 221 L CB 0.097 42.164 42.059 0.015 0.000 1.104 221 L HN 1.049 nan 8.230 nan 0.000 0.500 222 R N 1.089 121.590 120.500 0.001 0.000 2.096 222 R HA -0.190 4.150 4.340 0.000 0.000 0.240 222 R C 1.608 177.906 176.300 -0.004 0.000 1.139 222 R CA 1.960 58.058 56.100 -0.004 0.000 0.952 222 R CB 0.072 30.377 30.300 0.008 0.000 0.854 222 R HN 0.662 nan 8.270 nan 0.000 0.436 223 E N -0.177 120.033 120.200 0.017 0.000 2.472 223 E HA -0.060 4.290 4.350 0.000 0.000 0.200 223 E C 0.323 176.924 176.600 0.003 0.000 1.046 223 E CA 0.311 56.729 56.400 0.030 0.000 0.871 223 E CB -0.376 29.375 29.700 0.084 0.000 0.806 223 E HN 0.256 nan 8.360 nan 0.000 0.533 224 C N 2.769 122.041 119.300 -0.047 0.000 2.638 224 C HA 0.104 4.565 4.460 0.000 0.000 0.410 224 C C -2.055 172.881 174.990 -0.090 0.000 1.404 224 C CA -1.912 57.044 59.018 -0.104 0.000 1.651 224 C CB -0.344 27.298 27.740 -0.162 0.000 2.495 224 C HN 0.149 nan 8.230 nan 0.000 0.606 225 P HA 0.115 nan 4.420 nan 0.000 0.268 225 P C 0.637 177.873 177.300 -0.105 0.000 1.204 225 P CA 0.360 63.423 63.100 -0.061 0.000 0.768 225 P CB 0.724 32.402 31.700 -0.037 0.000 0.842 226 S N 1.902 117.536 115.700 -0.109 0.000 2.387 226 S HA -0.142 4.328 4.470 0.000 0.000 0.230 226 S C 1.730 176.162 174.600 -0.280 0.000 1.035 226 S CA 1.676 59.724 58.200 -0.253 0.000 1.014 226 S CB -0.843 62.180 63.200 -0.295 0.000 0.836 226 S HN 0.555 nan 8.310 nan 0.000 0.466 227 V N -0.631 119.240 119.914 -0.071 0.000 2.913 227 V HA 0.089 4.209 4.120 0.000 0.000 0.260 227 V C 1.432 177.509 176.094 -0.029 0.000 1.098 227 V CA 1.388 63.701 62.300 0.022 0.000 1.121 227 V CB -0.753 31.122 31.823 0.088 0.000 0.714 227 V HN 0.438 nan 8.190 nan 0.000 0.487 228 L N -0.070 121.103 121.223 -0.084 0.000 2.693 228 L HA 0.380 4.720 4.340 0.000 0.000 0.235 228 L C 1.096 177.852 176.870 -0.189 0.000 1.127 228 L CA 0.075 54.852 54.840 -0.106 0.000 0.914 228 L CB 0.246 42.227 42.059 -0.130 0.000 1.193 228 L HN 0.366 nan 8.230 nan 0.000 0.502 229 E N -0.104 119.978 120.200 -0.197 0.000 2.180 229 E HA -0.019 4.332 4.350 0.000 0.000 0.283 229 E C 0.432 176.974 176.600 -0.096 0.000 1.061 229 E CA -0.400 55.858 56.400 -0.238 0.000 0.861 229 E CB 0.550 30.120 29.700 -0.217 0.000 1.056 229 E HN 0.105 nan 8.360 nan 0.000 0.407 230 Y N 4.191 124.432 120.300 -0.097 0.000 2.114 230 Y HA -0.313 4.238 4.550 0.000 0.000 0.282 230 Y C 2.230 178.086 175.900 -0.073 0.000 1.165 230 Y CA 1.519 59.572 58.100 -0.078 0.000 1.148 230 Y CB -0.741 37.685 38.460 -0.058 0.000 0.972 230 Y HN 0.584 nan 8.280 nan 0.000 0.504 231 K N 0.320 120.767 120.400 0.079 0.000 2.001 231 K HA -0.178 4.142 4.320 0.000 0.000 0.214 231 K C 2.028 178.614 176.600 -0.023 0.000 1.050 231 K CA 2.148 58.440 56.287 0.008 0.000 0.934 231 K CB -0.414 32.061 32.500 -0.041 0.000 0.718 231 K HN 0.139 nan 8.250 nan 0.000 0.443 232 V N 1.047 120.913 119.914 -0.080 0.000 2.332 232 V HA -0.241 3.879 4.120 0.000 0.000 0.248 232 V C 2.505 178.560 176.094 -0.065 0.000 1.055 232 V CA 2.033 64.249 62.300 -0.139 0.000 1.038 232 V CB -0.551 31.058 31.823 -0.356 0.000 0.651 232 V HN 0.426 nan 8.190 nan 0.000 0.450 233 Q N -0.047 119.735 119.800 -0.031 0.000 2.123 233 Q HA 0.002 4.343 4.340 0.000 0.000 0.199 233 Q C 2.180 178.212 176.000 0.054 0.000 0.966 233 Q CA 1.788 57.617 55.803 0.044 0.000 0.845 233 Q CB -0.580 28.194 28.738 0.060 0.000 0.907 233 Q HN 0.615 nan 8.270 nan 0.000 0.439 234 A N -0.629 122.209 122.820 0.031 0.000 1.969 234 A HA 0.015 4.336 4.320 0.000 0.000 0.218 234 A C 2.124 179.724 177.584 0.026 0.000 1.169 234 A CA 1.377 53.423 52.037 0.015 0.000 0.635 234 A CB -0.975 18.025 19.000 0.001 0.000 0.810 234 A HN 0.469 nan 8.150 nan 0.000 0.445 235 G N -1.068 107.749 108.800 0.028 0.000 2.679 235 G HA2 -0.096 3.865 3.960 0.000 0.000 0.212 235 G HA3 -0.096 3.865 3.960 0.000 0.000 0.212 235 G C 0.949 175.888 174.900 0.065 0.000 1.137 235 G CA 0.614 45.735 45.100 0.035 0.000 0.787 235 G HN 0.537 nan 8.290 nan 0.000 0.534 236 N N 0.141 118.896 118.700 0.091 0.000 2.200 236 N HA 0.066 4.806 4.740 0.000 0.000 0.224 236 N C 0.454 176.039 175.510 0.125 0.000 1.179 236 N CA 0.047 53.174 53.050 0.128 0.000 0.877 236 N CB 0.750 39.362 38.487 0.209 0.000 1.072 236 N HN -0.017 nan 8.380 nan 0.000 0.519 237 S N 0.759 116.517 115.700 0.096 0.000 3.491 237 S HA -0.204 4.267 4.470 0.000 0.000 0.371 237 S C 0.519 175.212 174.600 0.155 0.000 0.980 237 S CA 0.897 59.157 58.200 0.101 0.000 1.204 237 S CB -1.326 61.926 63.200 0.088 0.000 0.915 237 S HN 0.492 nan 8.310 nan 0.000 0.482 238 S N -2.223 113.573 115.700 0.161 0.000 3.228 238 S HA -0.225 4.246 4.470 0.000 0.000 0.282 238 S C 0.427 175.172 174.600 0.243 0.000 1.286 238 S CA 1.336 59.662 58.200 0.210 0.000 1.066 238 S CB -1.204 62.171 63.200 0.293 0.000 1.277 238 S HN 0.707 nan 8.310 nan 0.000 0.661 239 L N 0.152 121.518 121.223 0.238 0.000 3.017 239 L HA 0.338 4.678 4.340 0.000 0.000 0.255 239 L C 1.441 178.446 176.870 0.226 0.000 1.247 239 L CA -0.262 54.737 54.840 0.265 0.000 1.038 239 L CB -0.240 41.991 42.059 0.286 0.000 1.380 239 L HN 0.329 nan 8.230 nan 0.000 0.548 240 Y N 2.304 122.666 120.300 0.103 0.000 2.081 240 Y HA -0.254 4.296 4.550 0.000 0.000 0.280 240 Y C 1.603 177.545 175.900 0.070 0.000 1.163 240 Y CA 1.759 59.903 58.100 0.072 0.000 1.135 240 Y CB 0.150 38.637 38.460 0.046 0.000 0.970 240 Y HN 0.569 nan 8.280 nan 0.000 0.498 241 N N -1.360 117.331 118.700 -0.016 0.000 3.061 241 N HA 0.147 4.887 4.740 0.000 0.000 0.346 241 N C -0.974 174.408 175.510 -0.214 0.000 1.392 241 N CA -0.141 52.825 53.050 -0.141 0.000 0.762 241 N CB -0.034 38.391 38.487 -0.104 0.000 1.367 241 N HN -0.042 nan 8.380 nan 0.000 0.607 242 T N 2.415 116.708 114.554 -0.434 0.000 2.752 242 T HA 0.308 4.659 4.350 0.000 0.000 0.295 242 T C -2.130 172.372 174.700 -0.332 0.000 0.923 242 T CA -0.617 61.018 62.100 -0.775 0.000 1.112 242 T CB 0.656 69.124 68.868 -0.666 0.000 0.884 242 T HN 0.458 nan 8.240 nan 0.000 0.525 243 P HA 0.259 nan 4.420 nan 0.000 0.275 243 P C -2.744 174.497 177.300 -0.099 0.000 1.266 243 P CA -1.911 61.158 63.100 -0.050 0.000 0.793 243 P CB -0.247 31.523 31.700 0.117 0.000 1.074 244 P HA 0.148 nan 4.420 nan 0.000 0.260 244 P C 0.688 177.982 177.300 -0.011 0.000 1.651 244 P CA -0.061 63.022 63.100 -0.028 0.000 1.139 244 P CB -0.654 31.047 31.700 0.003 0.000 1.756 245 C N 1.874 121.106 119.300 -0.114 0.000 2.413 245 C HA -0.175 4.285 4.460 0.000 0.000 0.277 245 C C 2.255 177.311 174.990 0.110 0.000 1.228 245 C CA 0.697 59.602 59.018 -0.189 0.000 1.731 245 C CB -1.796 25.615 27.740 -0.549 0.000 2.042 245 C HN 0.447 nan 8.230 nan 0.000 0.468 246 F N 1.983 121.913 119.950 -0.033 0.000 2.134 246 F HA -0.147 4.381 4.527 0.000 0.000 0.299 246 F C 2.525 178.393 175.800 0.114 0.000 1.097 246 F CA 1.942 59.980 58.000 0.063 0.000 1.264 246 F CB -0.404 38.601 39.000 0.008 0.000 1.001 246 F HN 0.138 nan 8.300 nan 0.000 0.479 247 S N 0.683 116.458 115.700 0.124 0.000 2.368 247 S HA -0.195 4.276 4.470 0.000 0.000 0.225 247 S C 2.140 176.686 174.600 -0.089 0.000 1.030 247 S CA 1.644 59.846 58.200 0.003 0.000 0.999 247 S CB -0.561 62.649 63.200 0.017 0.000 0.844 247 S HN 0.388 nan 8.310 nan 0.000 0.459 248 I N 0.368 120.907 120.570 -0.051 0.000 2.226 248 I HA -0.204 3.966 4.170 0.000 0.000 0.245 248 I C 2.328 178.356 176.117 -0.149 0.000 1.100 248 I CA 1.379 62.581 61.300 -0.164 0.000 1.374 248 I CB -0.385 37.554 38.000 -0.102 0.000 1.057 248 I HN 0.286 nan 8.210 nan 0.000 0.413 249 Y N 1.425 121.616 120.300 -0.181 0.000 2.081 249 Y HA -0.289 4.261 4.550 0.000 0.000 0.280 249 Y C 2.392 178.109 175.900 -0.304 0.000 1.163 249 Y CA 1.913 59.858 58.100 -0.258 0.000 1.135 249 Y CB -0.750 37.509 38.460 -0.335 0.000 0.970 249 Y HN -0.099 nan 8.280 nan 0.000 0.498 250 V N 1.195 120.745 119.914 -0.607 0.000 2.343 250 V HA -0.379 3.741 4.120 0.000 0.000 0.247 250 V C 2.596 178.459 176.094 -0.386 0.000 1.051 250 V CA 2.310 64.243 62.300 -0.612 0.000 1.036 250 V CB -0.784 30.792 31.823 -0.412 0.000 0.654 250 V HN 0.655 nan 8.190 nan 0.000 0.451 251 M N 0.476 119.911 119.600 -0.274 0.000 2.086 251 M HA -0.102 4.378 4.480 0.000 0.000 0.261 251 M C 2.111 178.313 176.300 -0.163 0.000 1.067 251 M CA 2.332 57.523 55.300 -0.183 0.000 1.116 251 M CB -0.689 31.813 32.600 -0.164 0.000 1.348 251 M HN 0.375 nan 8.290 nan 0.000 0.407 252 G N 0.859 109.531 108.800 -0.213 0.000 2.529 252 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 252 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 252 G C 1.398 176.219 174.900 -0.131 0.000 1.177 252 G CA 1.323 46.329 45.100 -0.158 0.000 0.773 252 G HN 0.496 nan 8.290 nan 0.000 0.573 253 L N 0.045 121.128 121.223 -0.233 0.000 2.093 253 L HA -0.067 4.273 4.340 0.000 0.000 0.208 253 L C 3.023 179.853 176.870 -0.066 0.000 1.085 253 L CA 0.349 55.081 54.840 -0.181 0.000 0.755 253 L CB -0.431 41.423 42.059 -0.340 0.000 0.904 253 L HN 0.113 nan 8.230 nan 0.000 0.435 254 V N 0.138 119.996 119.914 -0.092 0.000 2.295 254 V HA -0.283 3.837 4.120 0.000 0.000 0.246 254 V C 2.402 178.590 176.094 0.156 0.000 1.049 254 V CA 1.642 63.953 62.300 0.017 0.000 1.024 254 V CB -0.395 31.395 31.823 -0.056 0.000 0.648 254 V HN 0.332 nan 8.190 nan 0.000 0.447 255 L N -0.303 120.967 121.223 0.078 0.000 2.079 255 L HA -0.242 4.098 4.340 0.000 0.000 0.210 255 L C 2.553 179.470 176.870 0.078 0.000 1.081 255 L CA 1.897 56.790 54.840 0.088 0.000 0.752 255 L CB -0.546 41.549 42.059 0.061 0.000 0.896 255 L HN 0.369 nan 8.230 nan 0.000 0.433 256 E N -0.650 119.588 120.200 0.064 0.000 2.077 256 E HA -0.279 4.072 4.350 0.000 0.000 0.193 256 E C 1.937 178.587 176.600 0.082 0.000 0.989 256 E CA 1.396 57.826 56.400 0.050 0.000 0.800 256 E CB -0.205 29.515 29.700 0.033 0.000 0.746 256 E HN 0.455 nan 8.360 nan 0.000 0.452 257 W N 0.873 122.146 121.300 -0.045 0.000 2.338 257 W HA -0.179 4.481 4.660 0.000 0.000 0.304 257 W C 1.604 178.109 176.519 -0.024 0.000 1.212 257 W CA 1.632 58.957 57.345 -0.033 0.000 1.264 257 W CB -0.186 29.252 29.460 -0.038 0.000 1.142 257 W HN 0.046 nan 8.180 nan 0.000 0.512 258 I N 0.622 121.223 120.570 0.051 0.000 2.286 258 I HA -0.308 3.863 4.170 0.000 0.000 0.248 258 I C 2.541 178.530 176.117 -0.214 0.000 1.115 258 I CA 1.728 62.933 61.300 -0.158 0.000 1.392 258 I CB -0.693 37.323 38.000 0.027 0.000 1.065 258 I HN -0.027 nan 8.210 nan 0.000 0.418 259 K N 1.041 121.371 120.400 -0.118 0.000 2.057 259 K HA -0.165 4.155 4.320 0.000 0.000 0.207 259 K C 1.771 178.283 176.600 -0.147 0.000 1.049 259 K CA 1.487 57.711 56.287 -0.106 0.000 0.931 259 K CB 0.024 32.492 32.500 -0.053 0.000 0.714 259 K HN 0.244 nan 8.250 nan 0.000 0.440 260 N N 1.062 119.656 118.700 -0.176 0.000 2.459 260 N HA -0.081 4.659 4.740 0.000 0.000 0.181 260 N C 0.626 175.976 175.510 -0.266 0.000 1.046 260 N CA 0.640 53.583 53.050 -0.178 0.000 0.904 260 N CB -0.055 38.351 38.487 -0.135 0.000 0.964 260 N HN 0.265 nan 8.380 nan 0.000 0.444 261 N N -0.100 118.349 118.700 -0.417 0.000 2.270 261 N HA 0.077 4.818 4.740 0.000 0.000 0.198 261 N C 0.751 176.094 175.510 -0.278 0.000 1.117 261 N CA 0.419 53.201 53.050 -0.448 0.000 0.845 261 N CB 0.945 38.931 38.487 -0.835 0.000 0.980 261 N HN 0.284 nan 8.380 nan 0.000 0.486 262 G N 0.086 108.764 108.800 -0.203 0.000 2.179 262 G HA2 -0.137 3.823 3.960 0.000 0.000 0.220 262 G HA3 -0.137 3.823 3.960 0.000 0.000 0.220 262 G C 0.468 175.295 174.900 -0.122 0.000 0.990 262 G CA 0.101 45.119 45.100 -0.137 0.000 0.646 262 G HN 0.698 nan 8.290 nan 0.000 0.517 263 G N -0.836 107.877 108.800 -0.145 0.000 2.760 263 G HA2 0.311 4.271 3.960 0.000 0.000 0.246 263 G HA3 0.311 4.271 3.960 0.000 0.000 0.246 263 G C 1.272 176.112 174.900 -0.101 0.000 1.359 263 G CA 1.161 46.195 45.100 -0.111 0.000 0.861 263 G HN 1.889 nan 8.290 nan 0.000 0.541 264 A N -0.626 122.139 122.820 -0.091 0.000 1.927 264 A HA 0.112 4.432 4.320 0.000 0.000 0.220 264 A C 3.046 180.591 177.584 -0.066 0.000 1.185 264 A CA 3.999 55.983 52.037 -0.089 0.000 0.639 264 A CB -1.065 17.867 19.000 -0.112 0.000 0.820 264 A HN 2.535 nan 8.150 nan 0.000 0.451 265 A N -0.498 122.287 122.820 -0.059 0.000 1.933 265 A HA 0.157 4.477 4.320 0.000 0.000 0.218 265 A C 2.494 180.054 177.584 -0.040 0.000 1.175 265 A CA 2.138 54.149 52.037 -0.042 0.000 0.628 265 A CB -0.937 18.040 19.000 -0.038 0.000 0.814 265 A HN 1.133 nan 8.150 nan 0.000 0.444 266 A N -0.725 122.060 122.820 -0.059 0.000 1.898 266 A HA -0.075 4.246 4.320 0.000 0.000 0.216 266 A C 2.148 179.704 177.584 -0.046 0.000 1.181 266 A CA 1.796 53.796 52.037 -0.062 0.000 0.620 266 A CB -0.472 18.466 19.000 -0.102 0.000 0.819 266 A HN 0.429 nan 8.150 nan 0.000 0.442 267 M N -0.476 119.095 119.600 -0.048 0.000 2.149 267 M HA -0.166 4.315 4.480 0.000 0.000 0.261 267 M C 1.990 178.298 176.300 0.013 0.000 1.064 267 M CA 1.880 57.175 55.300 -0.008 0.000 1.102 267 M CB -1.349 31.250 32.600 -0.002 0.000 1.369 267 M HN 0.705 nan 8.290 nan 0.000 0.408 268 E N 0.641 120.841 120.200 -0.001 0.000 2.072 268 E HA -0.191 4.159 4.350 0.000 0.000 0.190 268 E C 2.140 178.752 176.600 0.021 0.000 0.982 268 E CA 1.055 57.462 56.400 0.013 0.000 0.803 268 E CB 0.078 29.780 29.700 0.003 0.000 0.755 268 E HN 0.414 nan 8.360 nan 0.000 0.453 269 K N 0.429 120.835 120.400 0.010 0.000 2.063 269 K HA -0.153 4.167 4.320 0.000 0.000 0.208 269 K C 2.154 178.770 176.600 0.027 0.000 1.048 269 K CA 1.310 57.605 56.287 0.014 0.000 0.928 269 K CB -0.073 32.428 32.500 0.001 0.000 0.713 269 K HN 0.212 nan 8.250 nan 0.000 0.442 270 L N 0.382 121.622 121.223 0.029 0.000 2.156 270 L HA -0.102 4.238 4.340 0.000 0.000 0.208 270 L C 2.280 179.188 176.870 0.064 0.000 1.095 270 L CA 0.863 55.732 54.840 0.048 0.000 0.770 270 L CB -0.278 41.814 42.059 0.055 0.000 0.914 270 L HN 0.132 nan 8.230 nan 0.000 0.439 271 S N -0.550 115.189 115.700 0.064 0.000 2.383 271 S HA -0.120 4.350 4.470 0.000 0.000 0.227 271 S C 2.217 176.862 174.600 0.075 0.000 1.026 271 S CA 1.221 59.464 58.200 0.072 0.000 0.981 271 S CB -0.101 63.143 63.200 0.073 0.000 0.818 271 S HN 0.319 nan 8.310 nan 0.000 0.472 272 S N 2.012 117.751 115.700 0.065 0.000 2.348 272 S HA -0.010 4.460 4.470 0.000 0.000 0.221 272 S C 1.845 176.487 174.600 0.070 0.000 1.033 272 S CA 1.176 59.416 58.200 0.067 0.000 1.010 272 S CB -0.464 62.766 63.200 0.050 0.000 0.891 272 S HN 0.392 nan 8.310 nan 0.000 0.442 273 I N 1.479 122.084 120.570 0.058 0.000 2.127 273 I HA -0.258 3.912 4.170 0.000 0.000 0.241 273 I C 2.482 178.636 176.117 0.061 0.000 1.075 273 I CA 1.374 62.708 61.300 0.056 0.000 1.334 273 I CB -0.308 37.720 38.000 0.048 0.000 1.040 273 I HN 0.213 nan 8.210 nan 0.000 0.405 274 K N 0.581 121.020 120.400 0.065 0.000 2.009 274 K HA -0.197 4.123 4.320 0.000 0.000 0.210 274 K C 2.296 178.921 176.600 0.040 0.000 1.049 274 K CA 2.175 58.499 56.287 0.062 0.000 0.929 274 K CB -0.325 32.219 32.500 0.073 0.000 0.714 274 K HN 0.437 nan 8.250 nan 0.000 0.440 275 S N 0.988 116.724 115.700 0.061 0.000 2.387 275 S HA -0.161 4.309 4.470 0.000 0.000 0.226 275 S C 2.004 176.685 174.600 0.135 0.000 1.026 275 S CA 0.808 59.047 58.200 0.064 0.000 0.972 275 S CB -0.267 63.049 63.200 0.193 0.000 0.814 275 S HN 0.277 nan 8.310 nan 0.000 0.477 276 Q N 0.857 120.747 119.800 0.151 0.000 2.226 276 Q HA -0.047 4.293 4.340 0.000 0.000 0.204 276 Q C 2.126 178.181 176.000 0.091 0.000 0.975 276 Q CA 1.671 57.564 55.803 0.150 0.000 0.866 276 Q CB -0.516 28.282 28.738 0.099 0.000 0.915 276 Q HN 0.634 nan 8.270 nan 0.000 0.440 277 T N 0.898 115.482 114.554 0.049 0.000 2.708 277 T HA -0.119 4.231 4.350 0.000 0.000 0.266 277 T C 1.686 176.371 174.700 -0.025 0.000 1.037 277 T CA 0.933 63.044 62.100 0.020 0.000 1.146 277 T CB -0.006 68.875 68.868 0.022 0.000 0.865 277 T HN 0.155 nan 8.240 nan 0.000 0.435 278 I N -0.079 120.438 120.570 -0.089 0.000 2.286 278 I HA -0.023 4.147 4.170 0.000 0.000 0.245 278 I C 2.153 178.134 176.117 -0.228 0.000 1.104 278 I CA 1.176 62.348 61.300 -0.214 0.000 1.397 278 I CB -1.327 36.487 38.000 -0.310 0.000 1.072 278 I HN 0.228 nan 8.210 nan 0.000 0.417 279 Y N 1.543 121.807 120.300 -0.061 0.000 2.274 279 Y HA -0.166 4.384 4.550 0.000 0.000 0.290 279 Y C 2.655 178.532 175.900 -0.039 0.000 1.145 279 Y CA 1.054 59.124 58.100 -0.050 0.000 1.203 279 Y CB -0.576 37.875 38.460 -0.014 0.000 0.984 279 Y HN 0.280 nan 8.280 nan 0.000 0.533 280 E N 0.076 120.345 120.200 0.115 0.000 2.051 280 E HA -0.209 4.142 4.350 0.000 0.000 0.192 280 E C 2.152 178.780 176.600 0.047 0.000 0.991 280 E CA 1.522 57.965 56.400 0.071 0.000 0.799 280 E CB -0.318 29.413 29.700 0.053 0.000 0.748 280 E HN 0.432 nan 8.360 nan 0.000 0.449 281 I N 0.945 121.519 120.570 0.006 0.000 2.163 281 I HA -0.322 3.848 4.170 0.000 0.000 0.243 281 I C 2.373 178.514 176.117 0.041 0.000 1.085 281 I CA 1.144 62.447 61.300 0.005 0.000 1.347 281 I CB -0.363 37.597 38.000 -0.067 0.000 1.044 281 I HN 0.142 nan 8.210 nan 0.000 0.408 282 I N 0.753 121.293 120.570 -0.052 0.000 2.163 282 I HA -0.321 3.850 4.170 0.000 0.000 0.243 282 I C 1.773 177.945 176.117 0.091 0.000 1.085 282 I CA 1.519 62.823 61.300 0.007 0.000 1.347 282 I CB -0.568 37.393 38.000 -0.065 0.000 1.044 282 I HN 0.257 nan 8.210 nan 0.000 0.408 283 D N 0.465 120.917 120.400 0.086 0.000 2.363 283 D HA -0.053 4.587 4.640 0.000 0.000 0.220 283 D C 1.150 177.489 176.300 0.064 0.000 0.994 283 D CA 0.719 54.764 54.000 0.075 0.000 0.890 283 D CB -0.239 40.601 40.800 0.067 0.000 0.906 283 D HN 0.440 nan 8.370 nan 0.000 0.530 284 N N -0.258 118.484 118.700 0.070 0.000 2.177 284 N HA -0.025 4.715 4.740 0.000 0.000 0.218 284 N C 1.040 176.594 175.510 0.072 0.000 1.182 284 N CA 0.091 53.177 53.050 0.059 0.000 0.882 284 N CB 0.856 39.371 38.487 0.047 0.000 1.052 284 N HN 0.011 nan 8.380 nan 0.000 0.519 285 S N 0.947 116.714 115.700 0.112 0.000 2.607 285 S HA -0.095 4.375 4.470 0.000 0.000 0.224 285 S C 0.717 175.372 174.600 0.092 0.000 0.969 285 S CA -0.249 58.031 58.200 0.133 0.000 0.927 285 S CB -0.497 62.858 63.200 0.259 0.000 0.772 285 S HN 0.384 nan 8.310 nan 0.000 0.533 286 Q N -0.034 119.806 119.800 0.068 0.000 2.413 286 Q HA -0.218 4.122 4.340 0.000 0.000 0.364 286 Q C 0.977 177.015 176.000 0.063 0.000 1.359 286 Q CA 0.530 56.364 55.803 0.052 0.000 1.097 286 Q CB -2.682 26.074 28.738 0.031 0.000 1.286 286 Q HN 1.227 nan 8.270 nan 0.000 0.358 287 G N 0.077 108.919 108.800 0.070 0.000 2.241 287 G HA2 -0.413 3.547 3.960 0.000 0.000 0.244 287 G HA3 -0.413 3.547 3.960 0.000 0.000 0.244 287 G C 0.168 175.103 174.900 0.059 0.000 0.998 287 G CA 0.318 45.455 45.100 0.061 0.000 0.621 287 G HN 0.558 nan 8.290 nan 0.000 0.519 288 F N 1.043 120.925 119.950 -0.113 0.000 2.163 288 F HA 0.377 4.904 4.527 0.000 0.000 0.297 288 F C 0.934 176.516 175.800 -0.364 0.000 1.094 288 F CA 0.806 58.648 58.000 -0.263 0.000 1.290 288 F CB 0.085 38.851 39.000 -0.390 0.000 1.017 288 F HN 0.160 nan 8.300 nan 0.000 0.483 289 Y N -0.159 120.148 120.300 0.012 0.000 2.352 289 Y HA 0.532 5.082 4.550 0.000 0.000 0.339 289 Y C -0.557 175.315 175.900 -0.046 0.000 0.992 289 Y CA -1.671 56.358 58.100 -0.119 0.000 1.100 289 Y CB 1.483 39.760 38.460 -0.306 0.000 1.192 289 Y HN -0.415 nan 8.280 nan 0.000 0.458 290 V N 3.160 123.178 119.914 0.174 0.000 2.380 290 V HA 0.199 4.319 4.120 0.000 0.000 0.286 290 V C -0.572 175.634 176.094 0.188 0.000 1.015 290 V CA -1.033 61.348 62.300 0.135 0.000 0.834 290 V CB 1.446 33.314 31.823 0.076 0.000 1.009 290 V HN 0.956 nan 8.190 nan 0.000 0.428 291 C N 8.801 128.212 119.300 0.185 0.000 2.394 291 C HA 0.478 4.939 4.460 0.000 0.000 0.362 291 C C 0.035 175.118 174.990 0.155 0.000 1.268 291 C CA -1.206 57.942 59.018 0.216 0.000 1.828 291 C CB 0.676 28.576 27.740 0.267 0.000 2.442 291 C HN 0.834 nan 8.230 nan 0.000 0.549 292 P HA 0.009 nan 4.420 nan 0.000 0.237 292 P C 0.190 177.552 177.300 0.103 0.000 1.178 292 P CA 0.637 63.803 63.100 0.109 0.000 0.766 292 P CB -0.033 31.734 31.700 0.111 0.000 0.876 293 V N 1.942 121.927 119.914 0.119 0.000 2.498 293 V HA 0.088 4.208 4.120 0.000 0.000 0.279 293 V C 0.858 176.980 176.094 0.047 0.000 1.048 293 V CA -0.698 61.659 62.300 0.095 0.000 0.967 293 V CB 0.635 32.530 31.823 0.121 0.000 0.988 293 V HN 0.058 nan 8.190 nan 0.000 0.473 294 E N 6.347 126.563 120.200 0.028 0.000 2.529 294 E HA -0.025 4.325 4.350 0.000 0.000 0.259 294 E C -1.591 174.991 176.600 -0.030 0.000 0.966 294 E CA -1.037 55.362 56.400 -0.001 0.000 0.937 294 E CB 0.574 30.272 29.700 -0.005 0.000 0.923 294 E HN 0.476 nan 8.360 nan 0.000 0.468 295 P HA -0.252 nan 4.420 nan 0.000 0.218 295 P C 1.376 178.610 177.300 -0.109 0.000 1.148 295 P CA 1.178 64.212 63.100 -0.110 0.000 0.822 295 P CB 0.123 31.766 31.700 -0.095 0.000 0.784 296 Q N -0.072 119.687 119.800 -0.068 0.000 2.369 296 Q HA -0.097 4.243 4.340 0.000 0.000 0.206 296 Q C 0.471 176.453 176.000 -0.030 0.000 0.963 296 Q CA 1.533 57.305 55.803 -0.052 0.000 0.894 296 Q CB -1.195 27.511 28.738 -0.052 0.000 0.965 296 Q HN 0.386 nan 8.270 nan 0.000 0.475 297 N N -0.026 118.654 118.700 -0.033 0.000 2.200 297 N HA 0.179 4.919 4.740 0.000 0.000 0.224 297 N C -0.668 174.844 175.510 0.004 0.000 1.179 297 N CA -0.392 52.648 53.050 -0.016 0.000 0.877 297 N CB 0.693 39.161 38.487 -0.032 0.000 1.072 297 N HN 0.032 nan 8.380 nan 0.000 0.519 298 R N 1.440 121.917 120.500 -0.038 0.000 2.458 298 R HA 0.070 4.410 4.340 0.000 0.000 0.303 298 R C 0.274 176.623 176.300 0.082 0.000 1.013 298 R CA 0.094 56.182 56.100 -0.020 0.000 1.026 298 R CB 0.444 30.544 30.300 -0.333 0.000 0.948 298 R HN 0.048 nan 8.270 nan 0.000 0.417 299 S N 2.004 117.811 115.700 0.179 0.000 2.563 299 S HA -0.036 4.434 4.470 0.000 0.000 0.284 299 S C 0.843 175.594 174.600 0.252 0.000 1.331 299 S CA 0.092 58.407 58.200 0.192 0.000 1.047 299 S CB 0.583 63.892 63.200 0.182 0.000 0.859 299 S HN 0.573 nan 8.310 nan 0.000 0.514 300 K N 3.068 123.577 120.400 0.181 0.000 2.379 300 K HA 0.165 4.485 4.320 0.000 0.000 0.194 300 K C 1.565 178.216 176.600 0.086 0.000 1.031 300 K CA 0.359 56.749 56.287 0.173 0.000 1.037 300 K CB 0.037 32.615 32.500 0.131 0.000 0.824 300 K HN 0.556 nan 8.250 nan 0.000 0.516 301 M N 0.358 119.990 119.600 0.054 0.000 2.429 301 M HA 0.064 4.544 4.480 0.000 0.000 0.265 301 M C -0.296 175.906 176.300 -0.163 0.000 1.120 301 M CA 1.095 56.350 55.300 -0.075 0.000 1.173 301 M CB -0.479 32.122 32.600 0.001 0.000 1.343 301 M HN -0.057 nan 8.290 nan 0.000 0.464 302 N N 0.480 119.167 118.700 -0.022 0.000 2.448 302 N HA 0.461 5.201 4.740 0.000 0.000 0.279 302 N C -1.087 174.455 175.510 0.054 0.000 1.025 302 N CA -0.113 52.935 53.050 -0.003 0.000 0.898 302 N CB 2.098 40.623 38.487 0.063 0.000 1.303 302 N HN 0.062 nan 8.380 nan 0.000 0.495 303 I N 2.990 123.563 120.570 0.005 0.000 2.388 303 I HA 0.332 4.502 4.170 0.000 0.000 0.281 303 I C -2.251 173.911 176.117 0.074 0.000 1.046 303 I CA -1.936 59.373 61.300 0.015 0.000 1.187 303 I CB 1.152 39.012 38.000 -0.233 0.000 1.351 303 I HN 0.220 nan 8.210 nan 0.000 0.472 304 P HA 0.356 nan 4.420 nan 0.000 0.279 304 P C -1.051 176.333 177.300 0.140 0.000 1.239 304 P CA 0.001 63.117 63.100 0.028 0.000 0.789 304 P CB 0.943 32.672 31.700 0.048 0.000 0.933 305 F N 0.049 119.962 119.950 -0.062 0.000 2.686 305 F HA 0.727 5.254 4.527 0.000 0.000 0.311 305 F C -0.882 174.867 175.800 -0.085 0.000 1.128 305 F CA -1.383 56.581 58.000 -0.059 0.000 0.946 305 F CB 0.984 39.937 39.000 -0.079 0.000 1.336 305 F HN -0.034 nan 8.300 nan 0.000 0.457 306 R N 1.406 122.013 120.500 0.178 0.000 2.787 306 R HA 0.715 5.055 4.340 0.000 0.000 0.271 306 R C -1.106 175.239 176.300 0.076 0.000 0.993 306 R CA -1.075 55.046 56.100 0.035 0.000 0.993 306 R CB 1.856 32.162 30.300 0.011 0.000 1.155 306 R HN 0.836 nan 8.270 nan 0.000 0.486 307 I N 0.008 120.519 120.570 -0.098 0.000 2.474 307 I HA 0.412 4.582 4.170 0.000 0.000 0.294 307 I C 1.091 177.000 176.117 -0.347 0.000 1.005 307 I CA -0.048 61.066 61.300 -0.311 0.000 1.113 307 I CB 1.956 39.747 38.000 -0.348 0.000 1.289 307 I HN 0.832 nan 8.210 nan 0.000 0.436 308 G N 5.279 113.755 108.800 -0.540 0.000 2.729 308 G HA2 -0.267 3.693 3.960 0.000 0.000 0.216 308 G HA3 -0.267 3.693 3.960 0.000 0.000 0.216 308 G C -0.126 174.695 174.900 -0.130 0.000 1.252 308 G CA 0.417 45.353 45.100 -0.273 0.000 0.751 308 G HN 0.986 nan 8.290 nan 0.000 0.527 309 N N -1.782 116.859 118.700 -0.099 0.000 3.227 309 N HA 0.668 5.408 4.740 0.000 0.000 0.241 309 N C 0.779 176.276 175.510 -0.022 0.000 1.480 309 N CA 0.639 53.665 53.050 -0.039 0.000 0.886 309 N CB 0.524 39.000 38.487 -0.018 0.000 1.406 309 N HN 1.178 nan 8.380 nan 0.000 0.514 310 A N -0.286 122.535 122.820 0.001 0.000 2.024 310 A HA -0.109 4.211 4.320 0.000 0.000 0.220 310 A C 1.573 179.164 177.584 0.012 0.000 1.164 310 A CA 1.532 53.579 52.037 0.016 0.000 0.643 310 A CB -0.590 18.424 19.000 0.023 0.000 0.806 310 A HN 0.480 nan 8.150 nan 0.000 0.451 311 K N -1.235 119.167 120.400 0.002 0.000 2.404 311 K HA 0.395 4.715 4.320 0.000 0.000 0.194 311 K C 0.794 177.388 176.600 -0.010 0.000 1.023 311 K CA 0.537 56.825 56.287 0.001 0.000 1.094 311 K CB -0.695 31.806 32.500 0.001 0.000 0.841 311 K HN 1.748 nan 8.250 nan 0.000 0.523 312 G N 1.860 110.646 108.800 -0.022 0.000 2.764 312 G HA2 -0.201 3.759 3.960 0.000 0.000 0.686 312 G HA3 -0.201 3.759 3.960 0.000 0.000 0.686 312 G C -1.080 173.797 174.900 -0.038 0.000 1.258 312 G CA -0.277 44.798 45.100 -0.042 0.000 0.846 312 G HN 0.392 nan 8.290 nan 0.000 0.596 313 D N 1.406 121.774 120.400 -0.053 0.000 2.441 313 D HA 0.488 5.128 4.640 0.000 0.000 0.231 313 D C 1.255 177.545 176.300 -0.016 0.000 1.073 313 D CA -0.432 53.550 54.000 -0.030 0.000 0.850 313 D CB 0.749 41.530 40.800 -0.031 0.000 1.062 313 D HN 0.240 nan 8.370 nan 0.000 0.524 314 D N 3.124 123.521 120.400 -0.004 0.000 2.116 314 D HA -0.217 4.424 4.640 0.000 0.000 0.193 314 D C 1.810 178.124 176.300 0.022 0.000 0.998 314 D CA 1.490 55.492 54.000 0.003 0.000 0.836 314 D CB -0.122 40.682 40.800 0.005 0.000 0.951 314 D HN 0.566 nan 8.370 nan 0.000 0.449 315 A N 1.125 123.965 122.820 0.034 0.000 1.859 315 A HA -0.193 4.127 4.320 0.000 0.000 0.217 315 A C 2.215 179.849 177.584 0.084 0.000 1.198 315 A CA 1.232 53.303 52.037 0.057 0.000 0.629 315 A CB -0.905 18.130 19.000 0.058 0.000 0.830 315 A HN 0.176 nan 8.150 nan 0.000 0.446 316 L N -0.052 121.221 121.223 0.084 0.000 2.131 316 L HA -0.147 4.193 4.340 0.000 0.000 0.210 316 L C 2.336 179.303 176.870 0.161 0.000 1.092 316 L CA 2.024 56.950 54.840 0.144 0.000 0.759 316 L CB -0.681 41.437 42.059 0.099 0.000 0.903 316 L HN 0.532 nan 8.230 nan 0.000 0.435 317 E N -1.161 119.073 120.200 0.056 0.000 2.076 317 E HA -0.206 4.144 4.350 0.000 0.000 0.190 317 E C 2.071 178.717 176.600 0.078 0.000 0.979 317 E CA 0.624 57.032 56.400 0.014 0.000 0.807 317 E CB -0.073 29.593 29.700 -0.057 0.000 0.761 317 E HN 0.353 nan 8.360 nan 0.000 0.454 318 K N 1.385 121.828 120.400 0.072 0.000 2.063 318 K HA -0.194 4.127 4.320 0.000 0.000 0.208 318 K C 2.210 178.883 176.600 0.123 0.000 1.048 318 K CA 1.216 57.552 56.287 0.081 0.000 0.928 318 K CB 0.025 32.563 32.500 0.064 0.000 0.713 318 K HN -0.049 nan 8.250 nan 0.000 0.442 319 R N -0.576 120.027 120.500 0.170 0.000 2.081 319 R HA -0.139 4.201 4.340 0.000 0.000 0.235 319 R C 2.293 178.755 176.300 0.271 0.000 1.131 319 R CA 1.663 57.910 56.100 0.245 0.000 0.960 319 R CB -0.351 30.121 30.300 0.286 0.000 0.856 319 R HN 0.254 nan 8.270 nan 0.000 0.436 320 F N 1.183 121.091 119.950 -0.070 0.000 2.134 320 F HA -0.202 4.325 4.527 0.000 0.000 0.299 320 F C 1.857 177.637 175.800 -0.033 0.000 1.097 320 F CA 1.431 59.164 58.000 -0.445 0.000 1.264 320 F CB -0.051 38.511 39.000 -0.729 0.000 1.001 320 F HN -0.060 nan 8.300 nan 0.000 0.479 321 L N -0.339 120.995 121.223 0.186 0.000 2.044 321 L HA -0.190 4.150 4.340 0.000 0.000 0.205 321 L C 2.249 179.128 176.870 0.014 0.000 1.075 321 L CA 1.251 56.151 54.840 0.099 0.000 0.747 321 L CB -0.857 41.258 42.059 0.095 0.000 0.903 321 L HN 0.024 nan 8.230 nan 0.000 0.435 322 D N 0.283 120.715 120.400 0.053 0.000 2.106 322 D HA -0.198 4.442 4.640 0.000 0.000 0.191 322 D C 2.200 178.517 176.300 0.029 0.000 0.997 322 D CA 1.239 55.267 54.000 0.045 0.000 0.834 322 D CB -0.065 40.782 40.800 0.080 0.000 0.956 322 D HN 0.117 nan 8.370 nan 0.000 0.448 323 K N 0.514 120.967 120.400 0.088 0.000 2.097 323 K HA -0.032 4.288 4.320 0.000 0.000 0.206 323 K C 2.018 178.519 176.600 -0.166 0.000 1.049 323 K CA 0.815 57.170 56.287 0.113 0.000 0.933 323 K CB -0.318 32.432 32.500 0.415 0.000 0.717 323 K HN 0.082 nan 8.250 nan 0.000 0.442 324 A N 1.272 123.879 122.820 -0.355 0.000 1.898 324 A HA -0.126 4.194 4.320 0.000 0.000 0.216 324 A C 2.244 179.599 177.584 -0.381 0.000 1.181 324 A CA 1.042 52.638 52.037 -0.734 0.000 0.620 324 A CB -0.552 18.081 19.000 -0.610 0.000 0.819 324 A HN 0.222 nan 8.150 nan 0.000 0.442 325 L N -0.076 121.025 121.223 -0.203 0.000 2.042 325 L HA -0.179 4.161 4.340 0.000 0.000 0.210 325 L C 2.324 179.118 176.870 -0.128 0.000 1.076 325 L CA 2.452 57.211 54.840 -0.135 0.000 0.749 325 L CB -0.358 41.658 42.059 -0.071 0.000 0.893 325 L HN 0.585 nan 8.230 nan 0.000 0.432 326 E N -0.599 119.534 120.200 -0.110 0.000 2.153 326 E HA -0.193 4.157 4.350 0.000 0.000 0.194 326 E C 1.843 178.381 176.600 -0.103 0.000 0.988 326 E CA 0.928 57.283 56.400 -0.075 0.000 0.811 326 E CB -0.078 29.607 29.700 -0.025 0.000 0.746 326 E HN 0.557 nan 8.360 nan 0.000 0.466 327 L N 0.774 121.886 121.223 -0.185 0.000 2.611 327 L HA 0.078 4.418 4.340 0.000 0.000 0.229 327 L C 0.033 176.799 176.870 -0.172 0.000 1.137 327 L CA -0.117 54.611 54.840 -0.187 0.000 0.901 327 L CB -0.121 41.761 42.059 -0.294 0.000 1.098 327 L HN 0.139 nan 8.230 nan 0.000 0.456 328 N N 0.183 118.783 118.700 -0.167 0.000 2.741 328 N HA -0.187 4.553 4.740 0.000 0.000 0.250 328 N C -0.101 175.290 175.510 -0.199 0.000 1.115 328 N CA 1.023 53.971 53.050 -0.170 0.000 0.724 328 N CB -1.204 37.200 38.487 -0.138 0.000 1.090 328 N HN 0.401 nan 8.380 nan 0.000 0.558 329 M N 0.912 120.396 119.600 -0.194 0.000 2.111 329 M HA 0.275 4.755 4.480 0.000 0.000 0.351 329 M C -0.040 176.218 176.300 -0.070 0.000 1.214 329 M CA -0.331 54.916 55.300 -0.088 0.000 1.120 329 M CB 0.733 33.282 32.600 -0.085 0.000 1.443 329 M HN -0.091 nan 8.290 nan 0.000 0.429 330 L N 1.587 122.735 121.223 -0.125 0.000 2.387 330 L HA 0.430 4.771 4.340 0.000 0.000 0.266 330 L C 1.161 178.083 176.870 0.087 0.000 1.059 330 L CA 0.266 55.028 54.840 -0.130 0.000 0.801 330 L CB 1.625 43.409 42.059 -0.458 0.000 1.223 330 L HN 0.820 nan 8.230 nan 0.000 0.456 331 S N 0.300 116.067 115.700 0.111 0.000 3.748 331 S HA -0.144 4.326 4.470 0.000 0.000 0.329 331 S C 0.639 175.344 174.600 0.175 0.000 1.104 331 S CA 0.742 59.050 58.200 0.179 0.000 0.954 331 S CB -1.101 62.268 63.200 0.282 0.000 0.910 331 S HN 0.552 nan 8.310 nan 0.000 0.494 332 L N -0.035 121.260 121.223 0.120 0.000 2.640 332 L HA 0.297 4.637 4.340 0.000 0.000 0.230 332 L C 1.045 177.922 176.870 0.011 0.000 1.123 332 L CA 0.040 54.923 54.840 0.073 0.000 0.900 332 L CB 0.058 42.158 42.059 0.069 0.000 1.146 332 L HN 0.241 nan 8.230 nan 0.000 0.484 333 K N 1.401 121.816 120.400 0.025 0.000 2.416 333 K HA 0.195 4.515 4.320 0.000 0.000 0.283 333 K C 0.602 177.186 176.600 -0.027 0.000 1.037 333 K CA -0.119 56.162 56.287 -0.009 0.000 0.995 333 K CB 0.711 33.214 32.500 0.005 0.000 0.938 333 K HN 0.070 nan 8.250 nan 0.000 0.475 334 G N 2.803 111.554 108.800 -0.080 0.000 2.554 334 G HA2 -0.070 3.890 3.960 0.000 0.000 0.238 334 G HA3 -0.070 3.890 3.960 0.000 0.000 0.238 334 G C -0.481 174.417 174.900 -0.003 0.000 1.259 334 G CA -0.406 44.656 45.100 -0.064 0.000 0.843 334 G HN 0.822 nan 8.290 nan 0.000 0.582 335 H N 1.187 120.222 119.070 -0.058 0.000 2.871 335 H HA 0.156 4.712 4.556 0.000 0.000 0.355 335 H C 2.100 177.402 175.328 -0.042 0.000 1.092 335 H CA 0.549 56.572 56.048 -0.042 0.000 1.420 335 H CB 0.695 30.417 29.762 -0.066 0.000 1.400 335 H HN 0.673 nan 8.280 nan 0.000 0.604 336 R N 3.257 123.406 120.500 -0.585 0.000 2.133 336 R HA -0.235 4.105 4.340 0.000 0.000 0.245 336 R C 2.723 179.003 176.300 -0.032 0.000 1.137 336 R CA 2.703 58.621 56.100 -0.304 0.000 0.947 336 R CB -1.947 28.136 30.300 -0.362 0.000 0.865 336 R HN 0.870 nan 8.270 nan 0.000 0.437 337 S N -0.318 115.519 115.700 0.228 0.000 2.447 337 S HA 0.207 4.677 4.470 0.000 0.000 0.233 337 S C 2.152 176.851 174.600 0.165 0.000 1.006 337 S CA 1.569 59.914 58.200 0.243 0.000 0.957 337 S CB 0.104 63.484 63.200 0.300 0.000 0.773 337 S HN 0.376 nan 8.310 nan 0.000 0.507 338 V N -0.439 119.556 119.914 0.136 0.000 3.212 338 V HA 0.424 4.544 4.120 0.000 0.000 0.244 338 V C 1.537 177.649 176.094 0.029 0.000 1.151 338 V CA 0.468 62.809 62.300 0.069 0.000 1.119 338 V CB -0.543 31.285 31.823 0.009 0.000 0.838 338 V HN 0.886 nan 8.190 nan 0.000 0.470 339 G N 0.186 108.992 108.800 0.009 0.000 2.645 339 G HA2 0.233 4.193 3.960 0.000 0.000 0.246 339 G HA3 0.233 4.193 3.960 0.000 0.000 0.246 339 G C 0.669 175.526 174.900 -0.072 0.000 1.322 339 G CA -0.301 44.781 45.100 -0.030 0.000 0.898 339 G HN 1.735 nan 8.290 nan 0.000 0.573 340 G N -1.619 107.120 108.800 -0.103 0.000 2.575 340 G HA2 0.136 4.096 3.960 0.000 0.000 0.267 340 G HA3 0.136 4.096 3.960 0.000 0.000 0.267 340 G C -0.032 174.691 174.900 -0.294 0.000 1.264 340 G CA 0.884 45.869 45.100 -0.192 0.000 0.935 340 G HN 1.793 nan 8.290 nan 0.000 0.568 341 I N 0.415 120.649 120.570 -0.560 0.000 2.562 341 I HA 0.734 4.904 4.170 0.000 0.000 0.301 341 I C 0.612 176.355 176.117 -0.623 0.000 1.003 341 I CA -0.538 60.330 61.300 -0.721 0.000 1.127 341 I CB 1.927 39.123 38.000 -1.340 0.000 1.304 341 I HN 0.719 nan 8.210 nan 0.000 0.446 342 R N 3.420 123.709 120.500 -0.352 0.000 2.575 342 R HA 0.855 5.196 4.340 0.000 0.000 0.293 342 R C -1.559 174.673 176.300 -0.114 0.000 0.983 342 R CA -0.718 55.265 56.100 -0.196 0.000 0.887 342 R CB 1.706 31.968 30.300 -0.064 0.000 1.184 342 R HN 0.757 nan 8.270 nan 0.000 0.445 343 A N 2.736 125.510 122.820 -0.076 0.000 2.258 343 A HA 0.484 4.804 4.320 0.000 0.000 0.316 343 A C -0.785 176.786 177.584 -0.022 0.000 1.279 343 A CA -0.498 51.500 52.037 -0.065 0.000 0.876 343 A CB 1.392 20.319 19.000 -0.122 0.000 1.170 343 A HN 0.643 nan 8.150 nan 0.000 0.520 344 S N 1.874 117.606 115.700 0.054 0.000 2.480 344 S HA 0.546 5.016 4.470 0.000 0.000 0.286 344 S C -0.131 174.419 174.600 -0.084 0.000 1.180 344 S CA -0.330 57.816 58.200 -0.090 0.000 1.075 344 S CB 0.461 63.655 63.200 -0.010 0.000 0.996 344 S HN 0.574 nan 8.310 nan 0.000 0.487 345 L N 3.795 124.827 121.223 -0.319 0.000 2.732 345 L HA 0.393 4.733 4.340 0.000 0.000 0.246 345 L C -1.041 175.737 176.870 -0.153 0.000 1.407 345 L CA -0.565 54.206 54.840 -0.114 0.000 0.861 345 L CB -0.299 41.744 42.059 -0.027 0.000 1.161 345 L HN 0.563 nan 8.230 nan 0.000 0.510 346 Y N -0.381 119.986 120.300 0.113 0.000 2.258 346 Y HA 0.091 4.641 4.550 0.000 0.000 0.345 346 Y C 1.814 177.778 175.900 0.106 0.000 1.303 346 Y CA -0.207 57.948 58.100 0.093 0.000 1.537 346 Y CB 0.295 38.794 38.460 0.064 0.000 1.383 346 Y HN 0.197 nan 8.280 nan 0.000 0.606 347 N N 0.539 119.424 118.700 0.308 0.000 2.096 347 N HA -0.263 4.478 4.740 0.000 0.000 0.195 347 N C 1.653 177.344 175.510 0.301 0.000 1.017 347 N CA 1.881 55.116 53.050 0.309 0.000 0.870 347 N CB -0.574 38.140 38.487 0.378 0.000 1.024 347 N HN 0.743 nan 8.380 nan 0.000 0.434 348 A N 0.367 123.270 122.820 0.138 0.000 2.067 348 A HA 0.100 4.420 4.320 0.000 0.000 0.217 348 A C 0.737 178.348 177.584 0.044 0.000 1.156 348 A CA 0.033 52.051 52.037 -0.031 0.000 0.683 348 A CB -0.085 18.800 19.000 -0.192 0.000 0.808 348 A HN 0.050 nan 8.150 nan 0.000 0.455 349 V N 2.736 122.709 119.914 0.099 0.000 2.458 349 V HA 0.172 4.292 4.120 0.000 0.000 0.287 349 V C 1.142 177.294 176.094 0.097 0.000 1.009 349 V CA 0.484 62.824 62.300 0.065 0.000 1.091 349 V CB -0.158 31.724 31.823 0.098 0.000 0.960 349 V HN 0.605 nan 8.190 nan 0.000 0.476 350 T N 2.830 117.424 114.554 0.067 0.000 2.849 350 T HA 0.414 4.764 4.350 0.000 0.000 0.284 350 T C 1.249 176.011 174.700 0.102 0.000 1.004 350 T CA -0.519 61.639 62.100 0.098 0.000 1.021 350 T CB 0.870 69.786 68.868 0.079 0.000 1.013 350 T HN 0.330 nan 8.240 nan 0.000 0.527 351 I N 0.600 121.230 120.570 0.099 0.000 2.226 351 I HA -0.137 4.033 4.170 0.000 0.000 0.245 351 I C 2.638 178.809 176.117 0.090 0.000 1.100 351 I CA 1.476 62.830 61.300 0.091 0.000 1.374 351 I CB -0.399 37.645 38.000 0.074 0.000 1.057 351 I HN 0.729 nan 8.210 nan 0.000 0.413 352 E N 0.898 121.143 120.200 0.076 0.000 2.110 352 E HA -0.219 4.131 4.350 0.000 0.000 0.193 352 E C 1.752 178.403 176.600 0.085 0.000 0.988 352 E CA 1.205 57.646 56.400 0.068 0.000 0.804 352 E CB -0.199 29.530 29.700 0.048 0.000 0.745 352 E HN 0.409 nan 8.360 nan 0.000 0.458 353 D N -0.295 120.155 120.400 0.082 0.000 2.123 353 D HA -0.125 4.515 4.640 0.000 0.000 0.196 353 D C 1.902 178.376 176.300 0.290 0.000 0.992 353 D CA 0.967 55.031 54.000 0.107 0.000 0.833 353 D CB -0.123 40.651 40.800 -0.044 0.000 0.954 353 D HN 0.080 nan 8.370 nan 0.000 0.455 354 V N 1.263 121.332 119.914 0.258 0.000 2.591 354 V HA -0.151 3.969 4.120 0.000 0.000 0.249 354 V C 2.465 178.652 176.094 0.154 0.000 1.053 354 V CA 1.031 63.487 62.300 0.260 0.000 1.068 354 V CB -0.310 31.624 31.823 0.185 0.000 0.689 354 V HN 0.127 nan 8.190 nan 0.000 0.462 355 Q N 0.297 120.172 119.800 0.125 0.000 2.181 355 Q HA -0.242 4.098 4.340 0.000 0.000 0.205 355 Q C 2.222 178.288 176.000 0.109 0.000 0.980 355 Q CA 1.563 57.424 55.803 0.096 0.000 0.862 355 Q CB -0.218 28.568 28.738 0.079 0.000 0.905 355 Q HN 0.618 nan 8.270 nan 0.000 0.429 356 K N 0.206 120.689 120.400 0.139 0.000 2.044 356 K HA -0.095 4.225 4.320 0.000 0.000 0.204 356 K C 2.091 178.793 176.600 0.169 0.000 1.049 356 K CA 0.484 56.857 56.287 0.143 0.000 0.945 356 K CB -0.258 32.321 32.500 0.132 0.000 0.724 356 K HN 0.001 nan 8.250 nan 0.000 0.440 357 L N 1.508 122.838 121.223 0.177 0.000 1.997 357 L HA -0.252 4.088 4.340 0.000 0.000 0.216 357 L C 2.172 179.121 176.870 0.130 0.000 1.074 357 L CA 2.177 57.066 54.840 0.081 0.000 0.763 357 L CB -0.867 41.053 42.059 -0.233 0.000 0.890 357 L HN 0.198 nan 8.230 nan 0.000 0.434 358 A N -0.542 122.324 122.820 0.076 0.000 1.892 358 A HA -0.191 4.129 4.320 0.000 0.000 0.218 358 A C 2.471 180.112 177.584 0.096 0.000 1.188 358 A CA 2.431 54.498 52.037 0.051 0.000 0.631 358 A CB -1.380 17.640 19.000 0.034 0.000 0.822 358 A HN 0.650 nan 8.150 nan 0.000 0.447 359 A N -1.352 121.542 122.820 0.123 0.000 1.902 359 A HA -0.065 4.255 4.320 0.000 0.000 0.217 359 A C 2.063 179.759 177.584 0.187 0.000 1.181 359 A CA 1.728 53.844 52.037 0.132 0.000 0.623 359 A CB -0.736 18.337 19.000 0.122 0.000 0.818 359 A HN 0.764 nan 8.150 nan 0.000 0.443 360 F N 0.217 120.209 119.950 0.069 0.000 2.134 360 F HA -0.163 4.364 4.527 0.000 0.000 0.299 360 F C 2.238 178.154 175.800 0.195 0.000 1.097 360 F CA 1.994 60.042 58.000 0.079 0.000 1.264 360 F CB -0.350 38.640 39.000 -0.017 0.000 1.001 360 F HN 0.164 nan 8.300 nan 0.000 0.479 361 M N -0.017 119.634 119.600 0.085 0.000 2.117 361 M HA -0.227 4.253 4.480 0.000 0.000 0.262 361 M C 2.283 178.743 176.300 0.267 0.000 1.065 361 M CA 1.716 57.113 55.300 0.162 0.000 1.114 361 M CB -0.445 32.139 32.600 -0.027 0.000 1.361 361 M HN 0.029 nan 8.290 nan 0.000 0.408 362 K N 0.202 120.695 120.400 0.156 0.000 2.057 362 K HA -0.194 4.127 4.320 0.000 0.000 0.207 362 K C 2.066 178.716 176.600 0.084 0.000 1.049 362 K CA 1.286 57.649 56.287 0.126 0.000 0.931 362 K CB -0.153 32.395 32.500 0.080 0.000 0.714 362 K HN 0.258 nan 8.250 nan 0.000 0.440 363 K N 0.154 120.597 120.400 0.072 0.000 2.057 363 K HA -0.151 4.169 4.320 0.000 0.000 0.206 363 K C 2.039 178.659 176.600 0.033 0.000 1.050 363 K CA 1.134 57.445 56.287 0.040 0.000 0.935 363 K CB -0.199 32.344 32.500 0.072 0.000 0.715 363 K HN -0.006 nan 8.250 nan 0.000 0.439 364 F N 1.723 121.615 119.950 -0.096 0.000 2.161 364 F HA -0.196 4.331 4.527 0.000 0.000 0.300 364 F C 1.960 177.830 175.800 0.117 0.000 1.089 364 F CA 1.177 59.206 58.000 0.049 0.000 1.282 364 F CB -0.114 38.864 39.000 -0.037 0.000 1.010 364 F HN 0.043 nan 8.300 nan 0.000 0.485 365 L N 0.149 121.453 121.223 0.135 0.000 1.994 365 L HA -0.215 4.125 4.340 0.000 0.000 0.208 365 L C 2.431 179.019 176.870 -0.469 0.000 1.071 365 L CA 1.581 56.154 54.840 -0.445 0.000 0.745 365 L CB -0.626 41.297 42.059 -0.227 0.000 0.892 365 L HN -0.019 nan 8.230 nan 0.000 0.431 366 E N -0.192 119.865 120.200 -0.238 0.000 2.147 366 E HA -0.295 4.055 4.350 0.000 0.000 0.199 366 E C 2.109 178.545 176.600 -0.274 0.000 1.005 366 E CA 2.042 58.314 56.400 -0.214 0.000 0.810 366 E CB -0.423 29.201 29.700 -0.126 0.000 0.736 366 E HN 0.620 nan 8.360 nan 0.000 0.460 367 M N -0.914 118.479 119.600 -0.344 0.000 2.248 367 M HA -0.051 4.429 4.480 0.000 0.000 0.265 367 M C 1.580 177.501 176.300 -0.633 0.000 1.079 367 M CA 1.216 56.214 55.300 -0.503 0.000 1.150 367 M CB -0.091 32.124 32.600 -0.640 0.000 1.366 367 M HN 0.133 nan 8.290 nan 0.000 0.433 368 H N -1.600 117.214 119.070 -0.425 0.000 2.654 368 H HA 0.188 4.744 4.556 0.000 0.000 0.264 368 H C 0.450 175.642 175.328 -0.227 0.000 0.954 368 H CA -0.093 55.771 56.048 -0.307 0.000 1.199 368 H CB 0.405 29.977 29.762 -0.317 0.000 1.446 368 H HN 0.260 nan 8.280 nan 0.000 0.516 369 Q N 2.034 121.596 119.800 -0.397 0.000 2.307 369 Q HA 0.340 4.680 4.340 0.000 0.000 0.261 369 Q C -0.047 175.866 176.000 -0.145 0.000 1.051 369 Q CA -0.361 55.244 55.803 -0.329 0.000 0.911 369 Q CB 0.350 28.736 28.738 -0.587 0.000 1.227 369 Q HN 0.365 nan 8.270 nan 0.000 0.418 370 L N 0.000 121.202 121.223 -0.035 0.000 2.949 370 L HA 0.000 4.340 4.340 0.000 0.000 0.249 370 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 370 L CB 0.000 42.066 42.059 0.012 0.000 0.961 370 L HN 0.000 nan 8.230 nan 0.000 0.502