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 2oo0_1_A DATA FIRST_RESID -9 DATA SEQUENCE AGENLYFQSL MNNFGNEEFD CHFLDEGFTA KDILDQKINE VSSSDDKDAF DATA SEQUENCE YVADLGDILK KHLRWLKALP RVTPFYAVKC NDSKAIVKTL AATGTGFDCA DATA SEQUENCE SKTEIQLVQS LGVPPERIIY ANPCKQVSQI KYAANNGVQM MTFDSEVELM DATA SEQUENCE KVARAHPKAK LVLRIATDDS KAVCRLSVKF GATLRTSRLL LERAKELNID DATA SEQUENCE VVGVSFHVGS GCTDPETFVQ AISDARCVFD MGAEVGFSMY LLDIGGGFPG DATA SEQUENCE SEDVKLKFEE ITGVINPALD KYFPSDSGVR IIAEPGRYYV ASAFTLAVNI DATA SEQUENCE IAKKIVLXXX XXXXXXXXXX EQTFMYYVND GVYGSFNCIL YDHAHVKPLL DATA SEQUENCE QKRPKPDEKY YSSSIWGPTC DGLDRIVERC DLPEMHVGDW MLFENMGAYT DATA SEQUENCE VAAASTFNGF QRPTIYYVMS GPAWQLMQQF QN 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 -9 A HA 0.000 nan 4.320 nan 0.000 0.244 -9 A C 0.000 177.570 177.584 -0.023 0.000 1.274 -9 A CA 0.000 52.044 52.037 0.012 0.000 0.836 -9 A CB 0.000 19.008 19.000 0.013 0.000 0.831 -8 G N -0.045 108.736 108.800 -0.033 0.000 2.394 -8 G HA2 -0.075 3.888 3.960 0.005 0.000 0.215 -8 G HA3 -0.075 3.888 3.960 0.005 0.000 0.215 -8 G C 1.234 176.084 174.900 -0.083 0.000 1.165 -8 G CA 1.510 46.574 45.100 -0.060 0.000 0.784 -8 G HN 0.634 nan 8.290 nan 0.000 0.535 -7 E N 0.584 120.743 120.200 -0.069 0.000 2.077 -7 E HA -0.171 4.182 4.350 0.005 0.000 0.193 -7 E C 2.337 178.878 176.600 -0.099 0.000 0.989 -7 E CA 1.119 57.474 56.400 -0.075 0.000 0.800 -7 E CB -0.001 29.722 29.700 0.039 0.000 0.746 -7 E HN 0.281 nan 8.360 nan 0.000 0.452 -6 N N 0.578 119.214 118.700 -0.107 0.000 2.084 -6 N HA -0.147 4.596 4.740 0.005 0.000 0.190 -6 N C 1.972 177.226 175.510 -0.426 0.000 1.030 -6 N CA 0.918 53.756 53.050 -0.354 0.000 0.849 -6 N CB -0.379 38.075 38.487 -0.056 0.000 1.012 -6 N HN 0.212 nan 8.380 nan 0.000 0.423 -5 L N -0.342 120.752 121.223 -0.215 0.000 2.201 -5 L HA -0.147 4.197 4.340 0.005 0.000 0.212 -5 L C 2.242 178.986 176.870 -0.209 0.000 1.105 -5 L CA 0.811 55.541 54.840 -0.183 0.000 0.775 -5 L CB -0.449 41.548 42.059 -0.103 0.000 0.913 -5 L HN 0.171 nan 8.230 nan 0.000 0.440 -4 Y N 0.342 120.424 120.300 -0.363 0.000 2.133 -4 Y HA -0.246 4.307 4.550 0.005 0.000 0.287 -4 Y C 2.286 177.863 175.900 -0.538 0.000 1.134 -4 Y CA 1.345 59.184 58.100 -0.434 0.000 1.133 -4 Y CB -0.457 37.698 38.460 -0.509 0.000 0.987 -4 Y HN -0.061 nan 8.280 nan 0.000 0.502 -3 F N 0.765 120.289 119.950 -0.710 0.000 2.126 -3 F HA -0.218 4.311 4.527 0.003 0.000 0.299 -3 F C 2.662 177.959 175.800 -0.839 0.000 1.096 -3 F CA 1.934 59.353 58.000 -0.969 0.000 1.255 -3 F CB -1.158 37.214 39.000 -1.047 0.000 0.997 -3 F HN 0.153 nan 8.300 nan 0.000 0.479 -2 Q N 0.370 119.878 119.800 -0.487 0.000 2.096 -2 Q HA -0.156 4.188 4.340 0.005 0.000 0.204 -2 Q C 2.264 178.097 176.000 -0.279 0.000 0.982 -2 Q CA 2.219 57.845 55.803 -0.296 0.000 0.850 -2 Q CB -0.573 28.038 28.738 -0.213 0.000 0.901 -2 Q HN 0.256 nan 8.270 nan 0.000 0.422 -1 S N -0.036 115.476 115.700 -0.313 0.000 2.359 -1 S HA -0.134 4.339 4.470 0.005 0.000 0.224 -1 S C 1.767 176.189 174.600 -0.297 0.000 1.035 -1 S CA 1.416 59.461 58.200 -0.258 0.000 1.018 -1 S CB -0.382 62.676 63.200 -0.237 0.000 0.876 -1 S HN 0.408 nan 8.310 nan 0.000 0.448 0 L N 0.440 121.368 121.223 -0.492 0.000 2.141 0 L HA -0.045 4.298 4.340 0.005 0.000 0.209 0 L C 2.436 179.041 176.870 -0.442 0.000 1.094 0 L CA 1.049 55.591 54.840 -0.497 0.000 0.763 0 L CB -0.492 41.083 42.059 -0.807 0.000 0.908 0 L HN 0.357 nan 8.230 nan 0.000 0.437 1 M N -0.521 118.768 119.600 -0.519 0.000 2.254 1 M HA -0.129 4.354 4.480 0.005 0.000 0.265 1 M C 1.826 178.121 176.300 -0.009 0.000 1.066 1 M CA 1.208 56.384 55.300 -0.207 0.000 1.123 1 M CB -0.316 32.191 32.600 -0.154 0.000 1.388 1 M HN 0.241 nan 8.290 nan 0.000 0.425 2 N N 0.892 119.540 118.700 -0.086 0.000 2.142 2 N HA -0.103 4.640 4.740 0.005 0.000 0.186 2 N C 1.133 176.597 175.510 -0.077 0.000 1.023 2 N CA 1.305 54.311 53.050 -0.074 0.000 0.852 2 N CB -0.618 37.821 38.487 -0.079 0.000 0.998 2 N HN 0.493 nan 8.380 nan 0.000 0.424 3 N N -0.254 118.419 118.700 -0.045 0.000 2.120 3 N HA -0.124 4.619 4.740 0.005 0.000 0.188 3 N C 1.465 176.999 175.510 0.039 0.000 1.024 3 N CA 0.601 53.647 53.050 -0.006 0.000 0.852 3 N CB -0.231 38.272 38.487 0.027 0.000 1.003 3 N HN 0.084 nan 8.380 nan 0.000 0.424 4 F N 1.903 121.837 119.950 -0.027 0.000 2.095 4 F HA -0.087 4.444 4.527 0.007 0.000 0.298 4 F C 2.319 177.951 175.800 -0.281 0.000 1.104 4 F CA 1.612 59.634 58.000 0.037 0.000 1.232 4 F CB -0.850 38.324 39.000 0.290 0.000 0.987 4 F HN -0.047 nan 8.300 nan 0.000 0.475 5 G N -0.558 107.941 108.800 -0.501 0.000 2.440 5 G HA2 -0.368 3.595 3.960 0.005 0.000 0.218 5 G HA3 -0.368 3.595 3.960 0.005 0.000 0.218 5 G C 0.815 175.202 174.900 -0.856 0.000 1.154 5 G CA 1.048 45.382 45.100 -1.278 0.000 0.767 5 G HN 0.546 nan 8.290 nan 0.000 0.552 6 N N -0.403 118.053 118.700 -0.405 0.000 2.725 6 N HA -0.204 4.539 4.740 0.005 0.000 0.249 6 N C 0.552 175.946 175.510 -0.192 0.000 1.103 6 N CA 1.232 54.137 53.050 -0.241 0.000 0.707 6 N CB -1.039 37.319 38.487 -0.216 0.000 1.043 6 N HN 0.431 nan 8.380 nan 0.000 0.553 7 E N -2.486 117.602 120.200 -0.186 0.000 3.370 7 E HA -0.291 4.062 4.350 0.005 0.000 0.291 7 E C 0.398 176.946 176.600 -0.086 0.000 0.916 7 E CA 1.619 57.953 56.400 -0.109 0.000 0.981 7 E CB -1.294 28.366 29.700 -0.067 0.000 1.498 7 E HN 0.863 nan 8.360 nan 0.000 0.452 8 E N -1.008 119.111 120.200 -0.136 0.000 2.244 8 E HA 0.120 4.474 4.350 0.005 0.000 0.196 8 E C 0.813 177.481 176.600 0.114 0.000 0.939 8 E CA 0.774 57.165 56.400 -0.016 0.000 0.884 8 E CB 0.323 30.033 29.700 0.016 0.000 0.850 8 E HN 0.253 nan 8.360 nan 0.000 0.481 9 F N -0.237 119.704 119.950 -0.014 0.000 2.613 9 F HA 0.547 5.077 4.527 0.005 0.000 0.314 9 F C -1.158 174.703 175.800 0.103 0.000 1.075 9 F CA -1.673 56.362 58.000 0.058 0.000 0.945 9 F CB 1.217 40.241 39.000 0.040 0.000 1.310 9 F HN -0.351 nan 8.300 nan 0.000 0.467 10 D N 1.306 121.932 120.400 0.377 0.000 2.317 10 D HA 0.359 5.002 4.640 0.005 0.000 0.234 10 D C -1.461 175.138 176.300 0.498 0.000 1.112 10 D CA -0.111 54.072 54.000 0.306 0.000 0.840 10 D CB 1.245 42.213 40.800 0.280 0.000 1.078 10 D HN 0.935 nan 8.370 nan 0.000 0.486 11 C N 5.637 125.174 119.300 0.395 0.000 2.271 11 C HA 0.475 4.939 4.460 0.005 0.000 0.323 11 C C -0.786 174.399 174.990 0.326 0.000 1.245 11 C CA -0.626 58.669 59.018 0.462 0.000 1.548 11 C CB -0.760 27.310 27.740 0.551 0.000 2.214 11 C HN 0.762 nan 8.230 nan 0.000 0.477 12 H N 4.227 123.431 119.070 0.224 0.000 2.517 12 H HA 0.455 5.015 4.556 0.006 0.000 0.317 12 H C -0.517 174.891 175.328 0.135 0.000 1.080 12 H CA -0.460 55.677 56.048 0.149 0.000 1.301 12 H CB 0.609 30.433 29.762 0.103 0.000 1.425 12 H HN 0.666 nan 8.280 nan 0.000 0.471 13 F N 5.990 125.643 119.950 -0.495 0.000 2.543 13 F HA 0.161 4.690 4.527 0.003 0.000 0.375 13 F C -0.865 174.720 175.800 -0.360 0.000 1.075 13 F CA -0.232 57.549 58.000 -0.364 0.000 1.225 13 F CB 0.191 39.007 39.000 -0.306 0.000 1.099 13 F HN 0.493 nan 8.300 nan 0.000 0.561 14 L N 6.933 127.644 121.223 -0.854 0.000 2.260 14 L HA 0.197 4.541 4.340 0.005 0.000 0.289 14 L C 0.034 176.310 176.870 -0.990 0.000 1.057 14 L CA -0.714 53.748 54.840 -0.630 0.000 0.811 14 L CB 0.430 42.300 42.059 -0.316 0.000 1.184 14 L HN 0.571 nan 8.230 nan 0.000 0.429 15 D N 3.318 123.417 120.400 -0.503 0.000 2.368 15 D HA 0.027 4.670 4.640 0.005 0.000 0.240 15 D C 0.145 176.464 176.300 0.032 0.000 1.169 15 D CA -0.117 53.782 54.000 -0.169 0.000 0.906 15 D CB 0.782 41.582 40.800 -0.000 0.000 1.187 15 D HN 0.453 nan 8.370 nan 0.000 0.435 16 E N -0.191 120.067 120.200 0.098 0.000 2.652 16 E HA 0.165 4.519 4.350 0.005 0.000 0.255 16 E C 1.065 177.752 176.600 0.144 0.000 0.952 16 E CA 0.658 57.118 56.400 0.099 0.000 0.947 16 E CB 0.197 29.961 29.700 0.107 0.000 0.912 16 E HN 0.711 nan 8.360 nan 0.000 0.489 17 G N 2.960 111.776 108.800 0.027 0.000 2.199 17 G HA2 -0.302 3.661 3.960 0.005 0.000 0.254 17 G HA3 -0.302 3.661 3.960 0.005 0.000 0.254 17 G C -0.114 174.620 174.900 -0.277 0.000 0.982 17 G CA -0.241 44.787 45.100 -0.121 0.000 0.632 17 G HN 0.428 nan 8.290 nan 0.000 0.529 18 F N 1.957 121.876 119.950 -0.051 0.000 2.421 18 F HA 0.650 5.180 4.527 0.005 0.000 0.337 18 F C 1.003 176.767 175.800 -0.060 0.000 1.105 18 F CA 0.137 58.109 58.000 -0.048 0.000 1.049 18 F CB 1.976 40.949 39.000 -0.044 0.000 1.139 18 F HN 0.212 nan 8.300 nan 0.000 0.479 19 T N -0.990 113.630 114.554 0.109 0.000 2.938 19 T HA 0.635 4.989 4.350 0.005 0.000 0.285 19 T C 1.010 175.748 174.700 0.063 0.000 1.028 19 T CA -0.335 61.796 62.100 0.051 0.000 1.005 19 T CB 1.612 70.487 68.868 0.012 0.000 1.157 19 T HN 0.612 nan 8.240 nan 0.000 0.550 20 A N 0.611 123.453 122.820 0.037 0.000 1.978 20 A HA -0.084 4.240 4.320 0.005 0.000 0.220 20 A C 2.276 179.878 177.584 0.030 0.000 1.170 20 A CA 1.564 53.621 52.037 0.034 0.000 0.636 20 A CB -0.930 18.081 19.000 0.020 0.000 0.810 20 A HN 0.888 nan 8.150 nan 0.000 0.448 21 K N -0.477 119.936 120.400 0.023 0.000 2.057 21 K HA -0.146 4.177 4.320 0.005 0.000 0.207 21 K C 1.414 178.025 176.600 0.018 0.000 1.049 21 K CA 1.414 57.708 56.287 0.011 0.000 0.931 21 K CB -0.262 32.239 32.500 0.002 0.000 0.714 21 K HN 0.442 nan 8.250 nan 0.000 0.440 22 D N 0.988 121.416 120.400 0.047 0.000 2.117 22 D HA -0.127 4.516 4.640 0.005 0.000 0.197 22 D C 1.889 178.231 176.300 0.069 0.000 0.987 22 D CA 0.859 54.910 54.000 0.085 0.000 0.829 22 D CB -0.058 40.858 40.800 0.193 0.000 0.961 22 D HN 0.073 nan 8.370 nan 0.000 0.460 23 I N 0.923 121.526 120.570 0.054 0.000 2.286 23 I HA -0.177 3.996 4.170 0.005 0.000 0.248 23 I C 2.587 178.680 176.117 -0.039 0.000 1.115 23 I CA 0.549 61.840 61.300 -0.014 0.000 1.392 23 I CB -1.045 36.951 38.000 -0.008 0.000 1.065 23 I HN 0.047 nan 8.210 nan 0.000 0.418 24 L N 0.786 122.014 121.223 0.008 0.000 1.989 24 L HA -0.262 4.081 4.340 0.005 0.000 0.211 24 L C 2.257 179.106 176.870 -0.035 0.000 1.071 24 L CA 1.829 56.689 54.840 0.034 0.000 0.749 24 L CB -0.394 41.658 42.059 -0.010 0.000 0.890 24 L HN 0.181 nan 8.230 nan 0.000 0.431 25 D N -0.634 119.737 120.400 -0.049 0.000 2.123 25 D HA -0.237 4.406 4.640 0.005 0.000 0.196 25 D C 2.230 178.478 176.300 -0.087 0.000 0.992 25 D CA 1.388 55.347 54.000 -0.069 0.000 0.833 25 D CB -0.192 40.591 40.800 -0.029 0.000 0.954 25 D HN 0.519 nan 8.370 nan 0.000 0.455 26 Q N 0.355 120.110 119.800 -0.075 0.000 2.050 26 Q HA -0.115 4.228 4.340 0.005 0.000 0.202 26 Q C 2.163 178.055 176.000 -0.180 0.000 0.980 26 Q CA 1.036 56.777 55.803 -0.102 0.000 0.840 26 Q CB 0.020 28.699 28.738 -0.098 0.000 0.898 26 Q HN 0.273 nan 8.270 nan 0.000 0.424 27 K N 0.363 120.613 120.400 -0.251 0.000 2.097 27 K HA -0.126 4.197 4.320 0.005 0.000 0.206 27 K C 2.033 178.404 176.600 -0.381 0.000 1.049 27 K CA 1.016 57.053 56.287 -0.416 0.000 0.933 27 K CB -0.104 31.986 32.500 -0.683 0.000 0.717 27 K HN 0.226 nan 8.250 nan 0.000 0.442 28 I N 1.713 122.089 120.570 -0.323 0.000 2.202 28 I HA -0.283 3.891 4.170 0.005 0.000 0.242 28 I C 1.788 177.813 176.117 -0.154 0.000 1.091 28 I CA 0.987 62.060 61.300 -0.379 0.000 1.368 28 I CB -0.289 37.376 38.000 -0.558 0.000 1.058 28 I HN 0.175 nan 8.210 nan 0.000 0.410 29 N N 0.902 119.533 118.700 -0.115 0.000 2.120 29 N HA -0.202 4.541 4.740 0.005 0.000 0.188 29 N C 1.654 177.137 175.510 -0.046 0.000 1.024 29 N CA 1.286 54.306 53.050 -0.051 0.000 0.852 29 N CB -0.382 38.080 38.487 -0.042 0.000 1.003 29 N HN 0.441 nan 8.380 nan 0.000 0.424 30 E N 0.182 120.329 120.200 -0.089 0.000 2.209 30 E HA -0.116 4.237 4.350 0.005 0.000 0.196 30 E C 1.312 177.883 176.600 -0.049 0.000 0.993 30 E CA 1.050 57.399 56.400 -0.085 0.000 0.819 30 E CB 0.134 29.748 29.700 -0.143 0.000 0.745 30 E HN 0.347 nan 8.360 nan 0.000 0.477 31 V N -1.711 118.189 119.914 -0.024 0.000 3.319 31 V HA 0.130 4.253 4.120 0.005 0.000 0.317 31 V C 1.781 177.939 176.094 0.107 0.000 1.411 31 V CA 0.416 62.745 62.300 0.048 0.000 1.112 31 V CB 0.322 32.199 31.823 0.090 0.000 1.031 31 V HN 0.139 nan 8.190 nan 0.000 0.448 32 S N 2.055 117.805 115.700 0.084 0.000 2.383 32 S HA -0.176 4.297 4.470 0.005 0.000 0.229 32 S C 1.704 176.354 174.600 0.083 0.000 1.030 32 S CA 1.761 60.024 58.200 0.106 0.000 1.002 32 S CB -0.854 62.388 63.200 0.070 0.000 0.829 32 S HN 1.186 nan 8.310 nan 0.000 0.467 33 S N 0.211 115.944 115.700 0.055 0.000 2.552 33 S HA 0.528 5.001 4.470 0.005 0.000 0.246 33 S C 0.069 174.694 174.600 0.041 0.000 1.019 33 S CA -0.309 57.916 58.200 0.041 0.000 1.045 33 S CB -0.135 63.081 63.200 0.026 0.000 0.784 33 S HN 0.457 nan 8.310 nan 0.000 0.453 34 S N -0.074 115.660 115.700 0.057 0.000 2.632 34 S HA 0.492 4.965 4.470 0.005 0.000 0.289 34 S C -0.576 174.063 174.600 0.064 0.000 1.115 34 S CA -0.611 57.622 58.200 0.055 0.000 0.889 34 S CB 1.515 64.748 63.200 0.055 0.000 1.116 34 S HN 0.215 nan 8.310 nan 0.000 0.486 35 D N 1.022 121.453 120.400 0.053 0.000 2.340 35 D HA 0.154 4.797 4.640 0.005 0.000 0.217 35 D C -0.703 175.636 176.300 0.066 0.000 1.081 35 D CA 0.167 54.197 54.000 0.049 0.000 0.842 35 D CB 0.140 40.959 40.800 0.031 0.000 0.934 35 D HN 0.463 nan 8.370 nan 0.000 0.511 36 D N 1.311 121.762 120.400 0.085 0.000 2.600 36 D HA 0.063 4.706 4.640 0.005 0.000 0.226 36 D C 0.385 176.791 176.300 0.177 0.000 1.119 36 D CA 0.213 54.276 54.000 0.106 0.000 1.051 36 D CB 0.089 40.938 40.800 0.081 0.000 1.106 36 D HN 0.047 nan 8.370 nan 0.000 0.491 37 K N 1.405 121.910 120.400 0.176 0.000 3.167 37 K HA 0.123 4.446 4.320 0.005 0.000 0.208 37 K C -0.477 176.240 176.600 0.195 0.000 1.159 37 K CA -0.665 55.777 56.287 0.259 0.000 1.018 37 K CB 0.979 33.494 32.500 0.026 0.000 0.927 37 K HN 0.028 nan 8.250 nan 0.000 0.476 38 D N 1.910 122.483 120.400 0.288 0.000 2.423 38 D HA 0.050 4.693 4.640 0.005 0.000 0.238 38 D C 0.409 177.000 176.300 0.484 0.000 1.142 38 D CA 0.181 54.353 54.000 0.286 0.000 0.884 38 D CB 0.825 41.783 40.800 0.264 0.000 1.199 38 D HN 0.335 nan 8.370 nan 0.000 0.438 39 A N 1.761 124.787 122.820 0.343 0.000 2.520 39 A HA 0.406 4.729 4.320 0.005 0.000 0.235 39 A C -0.238 177.611 177.584 0.442 0.000 1.065 39 A CA 0.238 52.493 52.037 0.364 0.000 0.764 39 A CB -0.352 18.740 19.000 0.153 0.000 1.002 39 A HN 0.505 nan 8.150 nan 0.000 0.502 40 F N -0.809 119.256 119.950 0.193 0.000 2.668 40 F HA 0.702 5.232 4.527 0.005 0.000 0.309 40 F C -1.492 174.331 175.800 0.037 0.000 1.117 40 F CA -1.551 56.561 58.000 0.186 0.000 0.951 40 F CB 0.838 40.048 39.000 0.350 0.000 1.323 40 F HN 0.450 nan 8.300 nan 0.000 0.451 41 Y N 1.115 121.541 120.300 0.210 0.000 2.387 41 Y HA 0.682 5.235 4.550 0.005 0.000 0.330 41 Y C -0.335 175.659 175.900 0.158 0.000 1.133 41 Y CA -1.090 57.049 58.100 0.065 0.000 1.152 41 Y CB 2.114 40.620 38.460 0.077 0.000 1.215 41 Y HN 0.555 nan 8.280 nan 0.000 0.466 42 V N 2.833 122.857 119.914 0.184 0.000 2.384 42 V HA 0.694 4.817 4.120 0.005 0.000 0.287 42 V C -0.400 175.598 176.094 -0.160 0.000 1.020 42 V CA -0.870 61.474 62.300 0.072 0.000 0.850 42 V CB 1.093 32.972 31.823 0.094 0.000 0.987 42 V HN 0.835 nan 8.190 nan 0.000 0.436 43 A N 3.232 125.793 122.820 -0.432 0.000 2.273 43 A HA 0.597 4.920 4.320 0.005 0.000 0.315 43 A C -0.477 176.956 177.584 -0.251 0.000 1.256 43 A CA -0.478 51.117 52.037 -0.736 0.000 0.851 43 A CB 0.711 18.765 19.000 -1.578 0.000 1.172 43 A HN 0.746 nan 8.150 nan 0.000 0.508 44 D N 3.247 123.563 120.400 -0.141 0.000 2.411 44 D HA 0.261 4.904 4.640 0.005 0.000 0.225 44 D C 0.904 177.221 176.300 0.028 0.000 1.156 44 D CA -0.177 53.816 54.000 -0.011 0.000 0.874 44 D CB 0.493 41.292 40.800 -0.001 0.000 1.034 44 D HN 0.471 nan 8.370 nan 0.000 0.502 45 L N 2.849 124.123 121.223 0.085 0.000 2.275 45 L HA 0.009 4.352 4.340 0.005 0.000 0.215 45 L C 2.357 179.262 176.870 0.058 0.000 1.119 45 L CA 0.902 55.793 54.840 0.085 0.000 0.790 45 L CB -0.106 42.029 42.059 0.127 0.000 0.919 45 L HN 0.475 nan 8.230 nan 0.000 0.443 46 G N -0.261 108.570 108.800 0.051 0.000 2.432 46 G HA2 -0.313 3.650 3.960 0.005 0.000 0.219 46 G HA3 -0.313 3.650 3.960 0.005 0.000 0.219 46 G C 1.178 176.101 174.900 0.037 0.000 1.135 46 G CA 0.949 46.072 45.100 0.040 0.000 0.767 46 G HN 0.353 nan 8.290 nan 0.000 0.550 47 D N 0.235 120.652 120.400 0.028 0.000 2.144 47 D HA -0.042 4.601 4.640 0.005 0.000 0.200 47 D C 2.446 178.752 176.300 0.010 0.000 0.978 47 D CA 0.520 54.528 54.000 0.014 0.000 0.833 47 D CB -0.129 40.678 40.800 0.012 0.000 0.961 47 D HN 0.363 nan 8.370 nan 0.000 0.470 48 I N 0.088 120.678 120.570 0.033 0.000 2.226 48 I HA -0.213 3.960 4.170 0.005 0.000 0.245 48 I C 2.116 178.289 176.117 0.094 0.000 1.100 48 I CA 0.379 61.712 61.300 0.055 0.000 1.374 48 I CB -0.101 37.921 38.000 0.036 0.000 1.057 48 I HN 0.187 nan 8.210 nan 0.000 0.413 49 L N 0.792 122.064 121.223 0.081 0.000 2.046 49 L HA -0.214 4.129 4.340 0.005 0.000 0.208 49 L C 2.470 179.449 176.870 0.181 0.000 1.077 49 L CA 1.935 56.857 54.840 0.137 0.000 0.747 49 L CB -1.066 41.073 42.059 0.134 0.000 0.896 49 L HN 0.285 nan 8.230 nan 0.000 0.432 50 K N -0.504 119.962 120.400 0.110 0.000 2.063 50 K HA -0.177 4.146 4.320 0.005 0.000 0.208 50 K C 2.052 178.691 176.600 0.065 0.000 1.048 50 K CA 0.989 57.330 56.287 0.090 0.000 0.928 50 K CB 0.006 32.532 32.500 0.042 0.000 0.713 50 K HN 0.151 nan 8.250 nan 0.000 0.442 51 K N 0.243 120.630 120.400 -0.022 0.000 2.097 51 K HA -0.190 4.133 4.320 0.005 0.000 0.206 51 K C 2.069 178.692 176.600 0.039 0.000 1.049 51 K CA 1.541 57.723 56.287 -0.174 0.000 0.933 51 K CB -0.473 31.687 32.500 -0.567 0.000 0.717 51 K HN 0.312 nan 8.250 nan 0.000 0.442 52 H N 1.067 120.181 119.070 0.072 0.000 2.321 52 H HA 0.023 4.582 4.556 0.005 0.000 0.300 52 H C 2.111 177.531 175.328 0.152 0.000 1.087 52 H CA 1.531 57.659 56.048 0.134 0.000 1.319 52 H CB -0.261 29.475 29.762 -0.044 0.000 1.379 52 H HN 0.010 nan 8.280 nan 0.000 0.501 53 L N 0.039 121.386 121.223 0.205 0.000 2.013 53 L HA -0.254 4.089 4.340 0.005 0.000 0.212 53 L C 2.781 179.736 176.870 0.142 0.000 1.073 53 L CA 1.917 56.894 54.840 0.229 0.000 0.753 53 L CB -0.367 41.846 42.059 0.256 0.000 0.890 53 L HN 0.328 nan 8.230 nan 0.000 0.432 54 R N -0.626 119.965 120.500 0.152 0.000 2.096 54 R HA -0.250 4.094 4.340 0.005 0.000 0.235 54 R C 2.321 178.745 176.300 0.207 0.000 1.127 54 R CA 1.717 57.922 56.100 0.176 0.000 0.968 54 R CB -0.425 29.993 30.300 0.196 0.000 0.861 54 R HN 0.555 nan 8.270 nan 0.000 0.440 55 W N 1.340 122.620 121.300 -0.033 0.000 2.379 55 W HA -0.190 4.472 4.660 0.004 0.000 0.307 55 W C 1.469 177.914 176.519 -0.123 0.000 1.200 55 W CA 1.215 58.481 57.345 -0.131 0.000 1.297 55 W CB -0.500 28.776 29.460 -0.308 0.000 1.140 55 W HN 0.144 nan 8.180 nan 0.000 0.507 56 L N 0.894 122.172 121.223 0.092 0.000 2.043 56 L HA -0.287 4.056 4.340 0.005 0.000 0.212 56 L C 2.570 179.429 176.870 -0.018 0.000 1.075 56 L CA 1.804 56.663 54.840 0.032 0.000 0.752 56 L CB -0.813 41.257 42.059 0.018 0.000 0.891 56 L HN -0.075 nan 8.230 nan 0.000 0.432 57 K N -0.266 120.130 120.400 -0.008 0.000 2.062 57 K HA -0.045 4.278 4.320 0.005 0.000 0.205 57 K C 2.228 178.764 176.600 -0.107 0.000 1.051 57 K CA 1.217 57.487 56.287 -0.029 0.000 0.941 57 K CB -0.182 32.324 32.500 0.011 0.000 0.719 57 K HN 0.256 nan 8.250 nan 0.000 0.440 58 A N 0.725 123.447 122.820 -0.163 0.000 1.970 58 A HA 0.039 4.362 4.320 0.005 0.000 0.216 58 A C 1.186 178.502 177.584 -0.447 0.000 1.170 58 A CA 0.854 52.702 52.037 -0.314 0.000 0.645 58 A CB 0.061 18.809 19.000 -0.420 0.000 0.816 58 A HN 0.164 nan 8.150 nan 0.000 0.447 59 L N 0.351 121.255 121.223 -0.531 0.000 2.732 59 L HA 0.242 4.585 4.340 0.005 0.000 0.246 59 L C -1.877 174.819 176.870 -0.291 0.000 1.407 59 L CA -1.247 53.263 54.840 -0.551 0.000 0.861 59 L CB 1.596 43.050 42.059 -1.009 0.000 1.161 59 L HN 0.138 nan 8.230 nan 0.000 0.510 60 P HA -0.128 nan 4.420 nan 0.000 0.222 60 P C 1.032 178.328 177.300 -0.007 0.000 1.147 60 P CA 1.102 64.167 63.100 -0.058 0.000 0.790 60 P CB 0.168 31.841 31.700 -0.045 0.000 0.780 61 R N -0.619 119.869 120.500 -0.021 0.000 2.317 61 R HA 0.202 4.545 4.340 0.005 0.000 0.208 61 R C 0.024 176.361 176.300 0.062 0.000 0.914 61 R CA 0.064 56.179 56.100 0.024 0.000 1.060 61 R CB 0.402 30.710 30.300 0.014 0.000 1.015 61 R HN 0.065 nan 8.270 nan 0.000 0.498 62 V N 1.455 121.420 119.914 0.086 0.000 2.378 62 V HA 0.181 4.304 4.120 0.005 0.000 0.288 62 V C 0.026 176.343 176.094 0.371 0.000 1.016 62 V CA -0.716 61.698 62.300 0.190 0.000 0.840 62 V CB 1.750 33.664 31.823 0.152 0.000 0.994 62 V HN 0.025 nan 8.190 nan 0.000 0.431 63 T N 8.395 123.130 114.554 0.302 0.000 2.761 63 T HA 0.284 4.637 4.350 0.005 0.000 0.296 63 T C -2.376 172.506 174.700 0.303 0.000 0.934 63 T CA -0.794 61.482 62.100 0.293 0.000 1.091 63 T CB 1.051 70.098 68.868 0.299 0.000 0.896 63 T HN 0.486 nan 8.240 nan 0.000 0.515 64 P HA 0.326 nan 4.420 nan 0.000 0.282 64 P C -1.070 176.150 177.300 -0.133 0.000 1.262 64 P CA -0.537 62.410 63.100 -0.255 0.000 0.773 64 P CB 0.393 31.579 31.700 -0.857 0.000 0.879 65 F N 3.265 123.065 119.950 -0.250 0.000 2.347 65 F HA 0.234 4.764 4.527 0.005 0.000 0.366 65 F C 0.611 176.277 175.800 -0.223 0.000 1.107 65 F CA -0.989 56.858 58.000 -0.254 0.000 1.058 65 F CB 0.387 39.315 39.000 -0.121 0.000 1.236 65 F HN 0.280 nan 8.300 nan 0.000 0.456 66 Y N 3.355 123.404 120.300 -0.419 0.000 2.632 66 Y HA 0.362 4.916 4.550 0.006 0.000 0.329 66 Y C 0.297 176.198 175.900 0.002 0.000 1.174 66 Y CA -1.065 56.868 58.100 -0.278 0.000 1.469 66 Y CB 0.530 38.713 38.460 -0.463 0.000 1.242 66 Y HN 0.653 nan 8.280 nan 0.000 0.540 67 A N 7.063 129.551 122.820 -0.554 0.000 2.655 67 A HA 0.287 4.611 4.320 0.005 0.000 0.297 67 A C 1.013 178.080 177.584 -0.862 0.000 1.461 67 A CA -0.085 51.678 52.037 -0.456 0.000 1.146 67 A CB -0.834 18.065 19.000 -0.168 0.000 1.108 67 A HN 0.909 nan 8.150 nan 0.000 0.550 68 V N 3.911 123.527 119.914 -0.497 0.000 2.317 68 V HA -0.376 3.747 4.120 0.005 0.000 0.251 68 V C 2.723 178.674 176.094 -0.237 0.000 1.065 68 V CA 2.583 64.707 62.300 -0.293 0.000 1.049 68 V CB -0.804 30.986 31.823 -0.055 0.000 0.651 68 V HN 1.060 nan 8.190 nan 0.000 0.450 69 K N 0.084 120.377 120.400 -0.178 0.000 2.218 69 K HA -0.272 4.052 4.320 0.005 0.000 0.205 69 K C 2.240 178.751 176.600 -0.148 0.000 1.046 69 K CA 1.958 58.187 56.287 -0.097 0.000 0.933 69 K CB -1.232 31.262 32.500 -0.010 0.000 0.728 69 K HN 0.518 nan 8.250 nan 0.000 0.454 70 C N 1.341 120.459 119.300 -0.303 0.000 2.425 70 C HA -0.011 4.452 4.460 0.005 0.000 0.277 70 C C 0.555 175.254 174.990 -0.484 0.000 1.280 70 C CA 0.879 59.498 59.018 -0.667 0.000 1.744 70 C CB -1.096 26.264 27.740 -0.635 0.000 1.989 70 C HN 0.702 nan 8.230 nan 0.000 0.491 71 N N -0.011 118.556 118.700 -0.222 0.000 2.976 71 N HA 0.108 4.851 4.740 0.005 0.000 0.249 71 N C -1.059 174.445 175.510 -0.011 0.000 1.258 71 N CA 0.044 52.992 53.050 -0.170 0.000 0.864 71 N CB 0.629 38.951 38.487 -0.275 0.000 1.551 71 N HN 0.499 nan 8.380 nan 0.000 0.607 72 D N 0.410 120.776 120.400 -0.056 0.000 2.336 72 D HA 0.084 4.728 4.640 0.005 0.000 0.228 72 D C -0.302 175.977 176.300 -0.034 0.000 1.120 72 D CA -0.071 53.913 54.000 -0.026 0.000 0.839 72 D CB -0.229 40.537 40.800 -0.056 0.000 0.932 72 D HN 0.146 nan 8.370 nan 0.000 0.509 73 S N 0.796 116.480 115.700 -0.026 0.000 2.546 73 S HA -0.041 4.432 4.470 0.005 0.000 0.290 73 S C 1.204 175.743 174.600 -0.101 0.000 1.290 73 S CA -0.421 57.773 58.200 -0.011 0.000 1.069 73 S CB 1.913 65.190 63.200 0.129 0.000 0.846 73 S HN 0.276 nan 8.310 nan 0.000 0.495 74 K N 2.908 123.222 120.400 -0.143 0.000 2.057 74 K HA -0.162 4.161 4.320 0.005 0.000 0.207 74 K C 2.203 178.554 176.600 -0.415 0.000 1.049 74 K CA 1.275 57.438 56.287 -0.206 0.000 0.931 74 K CB -0.400 32.034 32.500 -0.111 0.000 0.714 74 K HN 0.729 nan 8.250 nan 0.000 0.440 75 A N 1.516 123.831 122.820 -0.843 0.000 1.948 75 A HA -0.181 4.142 4.320 0.005 0.000 0.220 75 A C 1.969 179.137 177.584 -0.693 0.000 1.177 75 A CA 1.487 52.641 52.037 -1.471 0.000 0.636 75 A CB -0.506 16.836 19.000 -2.763 0.000 0.815 75 A HN 0.288 nan 8.150 nan 0.000 0.449 76 I N -0.203 120.122 120.570 -0.410 0.000 2.163 76 I HA -0.156 4.018 4.170 0.005 0.000 0.240 76 I C 2.538 178.527 176.117 -0.213 0.000 1.081 76 I CA 1.145 62.314 61.300 -0.218 0.000 1.353 76 I CB -1.576 36.366 38.000 -0.098 0.000 1.054 76 I HN 0.152 nan 8.210 nan 0.000 0.407 77 V N 1.145 120.959 119.914 -0.165 0.000 2.343 77 V HA -0.275 3.848 4.120 0.005 0.000 0.247 77 V C 2.625 178.645 176.094 -0.124 0.000 1.051 77 V CA 1.910 64.142 62.300 -0.112 0.000 1.036 77 V CB -0.840 30.859 31.823 -0.207 0.000 0.654 77 V HN 0.402 nan 8.190 nan 0.000 0.451 78 K N -0.127 120.169 120.400 -0.174 0.000 2.057 78 K HA -0.184 4.139 4.320 0.005 0.000 0.207 78 K C 2.238 178.875 176.600 0.062 0.000 1.049 78 K CA 1.950 58.170 56.287 -0.112 0.000 0.931 78 K CB -0.330 32.024 32.500 -0.244 0.000 0.714 78 K HN 0.497 nan 8.250 nan 0.000 0.440 79 T N 1.712 116.324 114.554 0.097 0.000 2.652 79 T HA -0.152 4.201 4.350 0.005 0.000 0.267 79 T C 1.740 176.413 174.700 -0.045 0.000 1.039 79 T CA 1.546 63.730 62.100 0.139 0.000 1.153 79 T CB -0.166 68.738 68.868 0.060 0.000 0.863 79 T HN 0.165 nan 8.240 nan 0.000 0.428 80 L N 0.530 121.682 121.223 -0.119 0.000 2.141 80 L HA -0.008 4.335 4.340 0.005 0.000 0.209 80 L C 2.987 179.798 176.870 -0.098 0.000 1.094 80 L CA 0.869 55.559 54.840 -0.250 0.000 0.763 80 L CB -0.613 41.202 42.059 -0.408 0.000 0.908 80 L HN 0.243 nan 8.230 nan 0.000 0.437 81 A N 0.214 123.140 122.820 0.177 0.000 1.902 81 A HA -0.180 4.143 4.320 0.005 0.000 0.217 81 A C 2.536 180.133 177.584 0.021 0.000 1.181 81 A CA 1.760 53.911 52.037 0.192 0.000 0.623 81 A CB -0.676 18.380 19.000 0.093 0.000 0.818 81 A HN 0.385 nan 8.150 nan 0.000 0.443 82 A N -1.159 121.665 122.820 0.007 0.000 1.930 82 A HA -0.063 4.260 4.320 0.005 0.000 0.217 82 A C 2.252 179.789 177.584 -0.078 0.000 1.175 82 A CA 2.177 54.204 52.037 -0.016 0.000 0.627 82 A CB -1.202 17.805 19.000 0.011 0.000 0.815 82 A HN 0.421 nan 8.150 nan 0.000 0.443 83 T N -1.068 113.380 114.554 -0.177 0.000 2.881 83 T HA 0.227 4.580 4.350 0.005 0.000 0.270 83 T C 1.468 175.939 174.700 -0.382 0.000 1.068 83 T CA 1.755 63.647 62.100 -0.347 0.000 1.131 83 T CB -0.245 68.215 68.868 -0.681 0.000 0.871 83 T HN 1.493 nan 8.240 nan 0.000 0.479 84 G N 1.759 110.378 108.800 -0.302 0.000 2.148 84 G HA2 -0.219 3.744 3.960 0.005 0.000 0.203 84 G HA3 -0.219 3.744 3.960 0.005 0.000 0.203 84 G C 0.347 175.039 174.900 -0.346 0.000 0.993 84 G CA 0.132 45.092 45.100 -0.234 0.000 0.661 84 G HN 0.832 nan 8.290 nan 0.000 0.518 85 T N -0.583 113.644 114.554 -0.546 0.000 2.856 85 T HA 0.581 4.934 4.350 0.005 0.000 0.306 85 T C 1.315 175.455 174.700 -0.933 0.000 1.062 85 T CA 0.648 62.319 62.100 -0.715 0.000 1.083 85 T CB 1.690 70.005 68.868 -0.921 0.000 0.984 85 T HN 1.442 nan 8.240 nan 0.000 0.542 86 G N 0.066 108.142 108.800 -1.206 0.000 2.563 86 G HA2 0.556 4.519 3.960 0.005 0.000 0.283 86 G HA3 0.556 4.519 3.960 0.005 0.000 0.283 86 G C -1.191 172.902 174.900 -1.345 0.000 1.309 86 G CA -0.974 43.167 45.100 -1.600 0.000 1.022 86 G HN 0.647 nan 8.290 nan 0.000 0.501 87 F N -0.919 118.877 119.950 -0.257 0.000 2.573 87 F HA 0.289 4.819 4.527 0.005 0.000 0.316 87 F C -0.681 175.242 175.800 0.206 0.000 1.148 87 F CA -1.002 57.009 58.000 0.019 0.000 0.940 87 F CB 2.456 41.440 39.000 -0.026 0.000 1.214 87 F HN 0.395 nan 8.300 nan 0.000 0.448 88 D N 2.824 123.393 120.400 0.282 0.000 2.347 88 D HA 0.362 5.005 4.640 0.005 0.000 0.235 88 D C -1.052 175.317 176.300 0.115 0.000 1.149 88 D CA 0.064 54.176 54.000 0.185 0.000 0.850 88 D CB 0.675 41.536 40.800 0.102 0.000 1.061 88 D HN 0.440 nan 8.370 nan 0.000 0.487 89 C N 3.531 122.897 119.300 0.109 0.000 2.355 89 C HA 0.761 5.224 4.460 0.005 0.000 0.332 89 C C 1.409 176.423 174.990 0.040 0.000 1.255 89 C CA -0.454 58.576 59.018 0.020 0.000 1.792 89 C CB 0.707 28.412 27.740 -0.057 0.000 2.300 89 C HN 0.826 nan 8.230 nan 0.000 0.515 90 A N 2.195 125.022 122.820 0.012 0.000 2.169 90 A HA 0.451 4.775 4.320 0.005 0.000 0.210 90 A C 0.791 178.450 177.584 0.125 0.000 1.168 90 A CA 0.732 52.822 52.037 0.088 0.000 0.813 90 A CB -0.017 19.005 19.000 0.038 0.000 0.861 90 A HN 1.120 nan 8.150 nan 0.000 0.481 91 S N -2.129 113.536 115.700 -0.057 0.000 2.636 91 S HA 0.360 4.833 4.470 0.005 0.000 0.268 91 S C 0.383 174.840 174.600 -0.239 0.000 1.159 91 S CA 0.047 58.201 58.200 -0.077 0.000 0.815 91 S CB 1.085 64.268 63.200 -0.028 0.000 1.130 91 S HN 0.186 nan 8.310 nan 0.000 0.471 92 K N 0.476 120.750 120.400 -0.211 0.000 2.044 92 K HA -0.183 4.140 4.320 0.005 0.000 0.210 92 K C 2.038 178.456 176.600 -0.304 0.000 1.049 92 K CA 2.661 58.752 56.287 -0.326 0.000 0.927 92 K CB -1.124 31.115 32.500 -0.436 0.000 0.713 92 K HN 0.831 nan 8.250 nan 0.000 0.443 93 T N -1.581 112.841 114.554 -0.220 0.000 2.833 93 T HA -0.109 4.245 4.350 0.005 0.000 0.269 93 T C 1.588 176.202 174.700 -0.143 0.000 1.054 93 T CA 1.417 63.413 62.100 -0.173 0.000 1.135 93 T CB -0.234 68.558 68.868 -0.126 0.000 0.869 93 T HN 0.402 nan 8.240 nan 0.000 0.466 94 E N 0.905 121.022 120.200 -0.138 0.000 2.072 94 E HA 0.026 4.379 4.350 0.005 0.000 0.190 94 E C 2.248 178.766 176.600 -0.136 0.000 0.982 94 E CA 1.104 57.428 56.400 -0.127 0.000 0.803 94 E CB -0.315 29.322 29.700 -0.105 0.000 0.755 94 E HN 0.550 nan 8.360 nan 0.000 0.453 95 I N 1.480 121.961 120.570 -0.148 0.000 2.163 95 I HA -0.340 3.833 4.170 0.005 0.000 0.243 95 I C 2.538 178.627 176.117 -0.046 0.000 1.085 95 I CA 1.401 62.644 61.300 -0.094 0.000 1.347 95 I CB -0.338 37.619 38.000 -0.072 0.000 1.044 95 I HN 0.124 nan 8.210 nan 0.000 0.408 96 Q N 0.162 119.929 119.800 -0.055 0.000 2.084 96 Q HA -0.247 4.096 4.340 0.005 0.000 0.202 96 Q C 2.312 178.269 176.000 -0.073 0.000 0.978 96 Q CA 1.506 57.289 55.803 -0.032 0.000 0.844 96 Q CB -0.333 28.356 28.738 -0.081 0.000 0.898 96 Q HN 0.391 nan 8.270 nan 0.000 0.426 97 L N 0.383 121.540 121.223 -0.110 0.000 1.989 97 L HA -0.181 4.162 4.340 0.005 0.000 0.211 97 L C 2.140 178.896 176.870 -0.190 0.000 1.071 97 L CA 1.632 56.389 54.840 -0.137 0.000 0.749 97 L CB -0.617 41.355 42.059 -0.145 0.000 0.890 97 L HN -0.004 nan 8.230 nan 0.000 0.431 98 V N -0.358 119.412 119.914 -0.239 0.000 2.343 98 V HA -0.303 3.820 4.120 0.005 0.000 0.247 98 V C 2.579 178.546 176.094 -0.212 0.000 1.051 98 V CA 2.060 64.149 62.300 -0.352 0.000 1.036 98 V CB -0.715 30.869 31.823 -0.398 0.000 0.654 98 V HN 0.575 nan 8.190 nan 0.000 0.451 99 Q N 0.240 119.970 119.800 -0.116 0.000 2.224 99 Q HA -0.149 4.195 4.340 0.005 0.000 0.203 99 Q C 2.416 178.378 176.000 -0.062 0.000 0.970 99 Q CA 1.684 57.449 55.803 -0.064 0.000 0.865 99 Q CB -0.272 28.455 28.738 -0.019 0.000 0.922 99 Q HN 0.791 nan 8.270 nan 0.000 0.445 100 S N 0.176 115.832 115.700 -0.074 0.000 2.474 100 S HA -0.036 4.438 4.470 0.005 0.000 0.235 100 S C 1.599 176.154 174.600 -0.075 0.000 0.997 100 S CA 0.554 58.715 58.200 -0.064 0.000 0.949 100 S CB -0.094 63.068 63.200 -0.063 0.000 0.766 100 S HN 0.311 nan 8.310 nan 0.000 0.517 101 L N 0.806 121.965 121.223 -0.106 0.000 2.628 101 L HA 0.402 4.745 4.340 0.005 0.000 0.229 101 L C 1.680 178.508 176.870 -0.071 0.000 1.137 101 L CA 0.287 55.065 54.840 -0.103 0.000 0.909 101 L CB -0.166 41.798 42.059 -0.159 0.000 1.137 101 L HN 0.559 nan 8.230 nan 0.000 0.470 102 G N -0.022 108.743 108.800 -0.058 0.000 2.141 102 G HA2 -0.238 3.725 3.960 0.005 0.000 0.242 102 G HA3 -0.238 3.725 3.960 0.005 0.000 0.242 102 G C 0.198 175.085 174.900 -0.022 0.000 0.982 102 G CA -0.071 45.011 45.100 -0.031 0.000 0.662 102 G HN 0.083 nan 8.290 nan 0.000 0.527 103 V N 3.341 123.232 119.914 -0.038 0.000 2.508 103 V HA 0.382 4.505 4.120 0.005 0.000 0.281 103 V C -0.738 175.361 176.094 0.009 0.000 1.041 103 V CA -0.924 61.373 62.300 -0.004 0.000 1.016 103 V CB 1.116 32.936 31.823 -0.006 0.000 0.984 103 V HN 0.307 nan 8.190 nan 0.000 0.478 104 P HA 0.221 nan 4.420 nan 0.000 0.272 104 P C -2.374 174.958 177.300 0.053 0.000 1.223 104 P CA -1.726 61.393 63.100 0.031 0.000 0.784 104 P CB 0.446 32.165 31.700 0.032 0.000 0.923 105 P HA -0.146 nan 4.420 nan 0.000 0.220 105 P C 1.303 178.673 177.300 0.116 0.000 1.148 105 P CA 1.364 64.510 63.100 0.077 0.000 0.803 105 P CB -0.140 31.596 31.700 0.061 0.000 0.782 106 E N 0.138 120.403 120.200 0.110 0.000 2.478 106 E HA -0.120 4.234 4.350 0.005 0.000 0.198 106 E C 1.184 177.900 176.600 0.192 0.000 1.046 106 E CA 0.699 57.185 56.400 0.144 0.000 0.870 106 E CB -0.433 29.335 29.700 0.114 0.000 0.818 106 E HN 0.290 nan 8.360 nan 0.000 0.527 107 R N 0.548 121.132 120.500 0.139 0.000 2.466 107 R HA 0.412 4.755 4.340 0.005 0.000 0.279 107 R C 0.007 176.409 176.300 0.169 0.000 0.976 107 R CA -0.069 56.060 56.100 0.048 0.000 1.081 107 R CB 0.371 30.638 30.300 -0.055 0.000 1.215 107 R HN 0.116 nan 8.270 nan 0.000 0.546 108 I N 0.812 121.580 120.570 0.330 0.000 2.465 108 I HA 0.351 4.525 4.170 0.005 0.000 0.291 108 I C -0.735 175.602 176.117 0.367 0.000 1.014 108 I CA -0.922 60.588 61.300 0.350 0.000 1.093 108 I CB 2.360 40.480 38.000 0.200 0.000 1.267 108 I HN -0.025 nan 8.210 nan 0.000 0.431 109 I N 6.042 126.823 120.570 0.351 0.000 2.404 109 I HA 0.300 4.473 4.170 0.005 0.000 0.293 109 I C -1.162 175.081 176.117 0.210 0.000 0.992 109 I CA -0.657 60.742 61.300 0.166 0.000 1.149 109 I CB 1.475 39.433 38.000 -0.070 0.000 1.315 109 I HN 0.501 nan 8.210 nan 0.000 0.446 110 Y N 7.959 128.287 120.300 0.047 0.000 2.632 110 Y HA 0.474 5.027 4.550 0.005 0.000 0.336 110 Y C 0.390 176.284 175.900 -0.010 0.000 1.237 110 Y CA -1.515 56.607 58.100 0.036 0.000 1.595 110 Y CB 0.449 38.943 38.460 0.057 0.000 1.508 110 Y HN 0.606 nan 8.280 nan 0.000 0.480 111 A N 4.422 127.358 122.820 0.194 0.000 2.988 111 A HA 0.141 4.464 4.320 0.005 0.000 0.288 111 A C 0.261 177.805 177.584 -0.067 0.000 1.385 111 A CA -0.361 51.684 52.037 0.014 0.000 1.001 111 A CB -0.844 18.150 19.000 -0.010 0.000 1.071 111 A HN 0.571 nan 8.150 nan 0.000 0.608 112 N N 0.657 119.316 118.700 -0.068 0.000 2.469 112 N HA 0.348 5.091 4.740 0.005 0.000 0.253 112 N C -2.486 172.855 175.510 -0.281 0.000 0.970 112 N CA -2.260 50.677 53.050 -0.188 0.000 0.940 112 N CB 1.803 40.289 38.487 -0.001 0.000 1.128 112 N HN -0.068 nan 8.380 nan 0.000 0.503 113 P HA 0.129 nan 4.420 nan 0.000 0.233 113 P C -0.383 176.883 177.300 -0.057 0.000 1.167 113 P CA 0.582 63.555 63.100 -0.212 0.000 0.770 113 P CB 0.315 31.863 31.700 -0.253 0.000 0.837 114 C N 0.654 119.935 119.300 -0.031 0.000 3.164 114 C HA 0.332 4.795 4.460 0.005 0.000 0.250 114 C C 0.105 175.115 174.990 0.034 0.000 1.151 114 C CA -0.858 58.203 59.018 0.073 0.000 1.449 114 C CB -0.471 27.406 27.740 0.227 0.000 1.825 114 C HN 0.090 nan 8.230 nan 0.000 0.478 115 K N 1.221 121.606 120.400 -0.026 0.000 2.159 115 K HA 0.407 4.730 4.320 0.005 0.000 0.266 115 K C -0.041 176.577 176.600 0.030 0.000 0.975 115 K CA -0.302 55.971 56.287 -0.023 0.000 0.865 115 K CB 1.407 33.796 32.500 -0.186 0.000 1.087 115 K HN 0.601 nan 8.250 nan 0.000 0.446 116 Q N 2.160 122.000 119.800 0.067 0.000 2.286 116 Q HA -0.039 4.305 4.340 0.005 0.000 0.290 116 Q C 0.794 176.837 176.000 0.072 0.000 1.049 116 Q CA -0.134 55.707 55.803 0.065 0.000 0.923 116 Q CB 0.777 29.555 28.738 0.066 0.000 1.183 116 Q HN 0.547 nan 8.270 nan 0.000 0.383 117 V N 3.096 123.043 119.914 0.055 0.000 2.317 117 V HA -0.363 3.761 4.120 0.005 0.000 0.251 117 V C 2.220 178.359 176.094 0.075 0.000 1.065 117 V CA 2.371 64.705 62.300 0.057 0.000 1.049 117 V CB -0.929 30.918 31.823 0.041 0.000 0.651 117 V HN 0.991 nan 8.190 nan 0.000 0.450 118 S N -0.324 115.419 115.700 0.072 0.000 2.399 118 S HA -0.267 4.206 4.470 0.005 0.000 0.231 118 S C 1.838 176.514 174.600 0.126 0.000 1.022 118 S CA 1.492 59.740 58.200 0.081 0.000 0.983 118 S CB -0.438 62.797 63.200 0.058 0.000 0.803 118 S HN 0.734 nan 8.310 nan 0.000 0.480 119 Q N 0.569 120.455 119.800 0.142 0.000 2.187 119 Q HA 0.155 4.498 4.340 0.005 0.000 0.199 119 Q C 2.248 178.452 176.000 0.340 0.000 0.957 119 Q CA 1.031 56.964 55.803 0.218 0.000 0.857 119 Q CB -0.362 28.502 28.738 0.211 0.000 0.929 119 Q HN 0.601 nan 8.270 nan 0.000 0.453 120 I N 1.175 121.902 120.570 0.262 0.000 2.163 120 I HA -0.308 3.865 4.170 0.005 0.000 0.243 120 I C 2.243 178.464 176.117 0.173 0.000 1.085 120 I CA 1.361 62.809 61.300 0.247 0.000 1.347 120 I CB -0.213 37.862 38.000 0.126 0.000 1.044 120 I HN 0.140 nan 8.210 nan 0.000 0.408 121 K N -0.120 120.345 120.400 0.108 0.000 2.063 121 K HA -0.249 4.074 4.320 0.005 0.000 0.208 121 K C 2.218 178.827 176.600 0.015 0.000 1.048 121 K CA 1.750 58.052 56.287 0.025 0.000 0.928 121 K CB -0.432 32.090 32.500 0.038 0.000 0.713 121 K HN 0.247 nan 8.250 nan 0.000 0.442 122 Y N 1.577 121.881 120.300 0.005 0.000 2.114 122 Y HA -0.326 4.227 4.550 0.005 0.000 0.282 122 Y C 2.269 178.157 175.900 -0.020 0.000 1.165 122 Y CA 1.654 59.748 58.100 -0.010 0.000 1.148 122 Y CB -0.412 38.045 38.460 -0.005 0.000 0.972 122 Y HN 0.077 nan 8.280 nan 0.000 0.504 123 A N 0.378 123.272 122.820 0.123 0.000 1.883 123 A HA -0.189 4.134 4.320 0.005 0.000 0.217 123 A C 2.440 179.959 177.584 -0.107 0.000 1.186 123 A CA 2.227 54.316 52.037 0.086 0.000 0.624 123 A CB -1.604 17.630 19.000 0.390 0.000 0.822 123 A HN 0.629 nan 8.150 nan 0.000 0.444 124 A N 0.225 122.847 122.820 -0.330 0.000 1.877 124 A HA -0.235 4.088 4.320 0.005 0.000 0.216 124 A C 1.874 179.254 177.584 -0.339 0.000 1.186 124 A CA 1.746 53.363 52.037 -0.700 0.000 0.620 124 A CB -0.956 17.497 19.000 -0.912 0.000 0.822 124 A HN 0.736 nan 8.150 nan 0.000 0.443 125 N N -0.066 118.461 118.700 -0.288 0.000 2.364 125 N HA -0.084 4.659 4.740 0.005 0.000 0.183 125 N C 0.543 175.888 175.510 -0.275 0.000 1.022 125 N CA 0.925 53.824 53.050 -0.252 0.000 0.883 125 N CB -0.088 38.250 38.487 -0.248 0.000 0.965 125 N HN 0.492 nan 8.380 nan 0.000 0.438 126 N N -0.271 118.226 118.700 -0.338 0.000 2.238 126 N HA 0.083 4.827 4.740 0.005 0.000 0.222 126 N C 0.576 176.009 175.510 -0.129 0.000 1.133 126 N CA 0.282 53.164 53.050 -0.279 0.000 0.854 126 N CB 1.376 39.596 38.487 -0.446 0.000 1.041 126 N HN 0.219 nan 8.380 nan 0.000 0.510 127 G N 0.747 109.495 108.800 -0.087 0.000 2.148 127 G HA2 -0.264 3.699 3.960 0.005 0.000 0.254 127 G HA3 -0.264 3.699 3.960 0.005 0.000 0.254 127 G C 0.083 175.021 174.900 0.063 0.000 0.981 127 G CA -0.067 45.030 45.100 -0.004 0.000 0.670 127 G HN 0.190 nan 8.290 nan 0.000 0.528 128 V N 1.795 121.761 119.914 0.086 0.000 2.387 128 V HA 0.224 4.347 4.120 0.005 0.000 0.260 128 V C 1.303 177.571 176.094 0.290 0.000 1.054 128 V CA 0.218 62.616 62.300 0.164 0.000 0.967 128 V CB 1.360 33.273 31.823 0.151 0.000 1.036 128 V HN 0.370 nan 8.190 nan 0.000 0.481 129 Q N 2.992 122.912 119.800 0.200 0.000 2.297 129 Q HA 0.212 4.555 4.340 0.005 0.000 0.203 129 Q C 0.832 176.828 176.000 -0.007 0.000 0.931 129 Q CA 0.562 56.438 55.803 0.123 0.000 0.885 129 Q CB 0.369 29.163 28.738 0.093 0.000 0.991 129 Q HN 0.707 nan 8.270 nan 0.000 0.498 130 M N 1.379 121.012 119.600 0.055 0.000 2.108 130 M HA 0.353 4.836 4.480 0.005 0.000 0.354 130 M C -1.143 175.177 176.300 0.034 0.000 1.229 130 M CA 0.191 55.496 55.300 0.008 0.000 1.081 130 M CB 0.470 33.082 32.600 0.019 0.000 1.606 130 M HN -0.021 nan 8.290 nan 0.000 0.467 131 M N 2.891 122.467 119.600 -0.041 0.000 2.550 131 M HA 0.464 4.947 4.480 0.005 0.000 0.292 131 M C -0.177 176.092 176.300 -0.052 0.000 1.221 131 M CA -0.980 54.287 55.300 -0.054 0.000 0.873 131 M CB 2.553 35.061 32.600 -0.154 0.000 1.727 131 M HN 0.656 nan 8.290 nan 0.000 0.459 132 T N -0.683 113.835 114.554 -0.060 0.000 2.902 132 T HA 0.846 5.199 4.350 0.005 0.000 0.280 132 T C -0.667 174.094 174.700 0.100 0.000 0.992 132 T CA -0.474 61.622 62.100 -0.006 0.000 1.015 132 T CB 1.145 69.958 68.868 -0.093 0.000 1.044 132 T HN 0.624 nan 8.240 nan 0.000 0.520 133 F N -0.764 119.100 119.950 -0.143 0.000 2.741 133 F HA 0.654 5.184 4.527 0.005 0.000 0.311 133 F C -1.354 174.409 175.800 -0.063 0.000 1.149 133 F CA -1.290 56.645 58.000 -0.108 0.000 0.930 133 F CB 1.114 40.049 39.000 -0.107 0.000 1.312 133 F HN 0.622 nan 8.300 nan 0.000 0.450 134 D N -0.224 120.024 120.400 -0.254 0.000 2.704 134 D HA 0.287 4.930 4.640 0.005 0.000 0.291 134 D C -0.877 175.367 176.300 -0.094 0.000 1.610 134 D CA 0.485 54.296 54.000 -0.315 0.000 0.807 134 D CB -0.120 40.600 40.800 -0.133 0.000 1.233 134 D HN 0.844 nan 8.370 nan 0.000 0.445 135 S N -1.591 114.155 115.700 0.076 0.000 2.550 135 S HA 0.395 4.868 4.470 0.005 0.000 0.270 135 S C 0.606 175.326 174.600 0.200 0.000 1.145 135 S CA -0.689 57.582 58.200 0.119 0.000 0.852 135 S CB 2.489 65.745 63.200 0.093 0.000 1.119 135 S HN -0.051 nan 8.310 nan 0.000 0.465 136 E N 0.854 121.130 120.200 0.128 0.000 2.106 136 E HA -0.084 4.269 4.350 0.005 0.000 0.192 136 E C 1.452 178.097 176.600 0.076 0.000 0.984 136 E CA 1.392 57.856 56.400 0.107 0.000 0.806 136 E CB -0.188 29.554 29.700 0.071 0.000 0.750 136 E HN 0.532 nan 8.360 nan 0.000 0.458 137 V N 1.069 121.023 119.914 0.066 0.000 2.343 137 V HA -0.235 3.889 4.120 0.005 0.000 0.247 137 V C 2.304 178.425 176.094 0.044 0.000 1.051 137 V CA 2.116 64.444 62.300 0.046 0.000 1.036 137 V CB -0.532 31.315 31.823 0.041 0.000 0.654 137 V HN 0.289 nan 8.190 nan 0.000 0.451 138 E N 0.253 120.499 120.200 0.075 0.000 2.085 138 E HA -0.200 4.154 4.350 0.005 0.000 0.194 138 E C 2.049 178.635 176.600 -0.022 0.000 0.994 138 E CA 1.378 57.813 56.400 0.059 0.000 0.801 138 E CB -0.353 29.433 29.700 0.144 0.000 0.743 138 E HN 0.561 nan 8.360 nan 0.000 0.453 139 L N -0.528 120.674 121.223 -0.035 0.000 2.046 139 L HA -0.206 4.137 4.340 0.005 0.000 0.208 139 L C 2.542 179.364 176.870 -0.080 0.000 1.077 139 L CA 1.317 56.069 54.840 -0.147 0.000 0.747 139 L CB -0.387 41.603 42.059 -0.116 0.000 0.896 139 L HN 0.269 nan 8.230 nan 0.000 0.432 140 M N -0.584 119.000 119.600 -0.027 0.000 2.117 140 M HA -0.228 4.255 4.480 0.005 0.000 0.262 140 M C 2.259 178.551 176.300 -0.013 0.000 1.065 140 M CA 1.813 57.105 55.300 -0.013 0.000 1.114 140 M CB -0.328 32.275 32.600 0.004 0.000 1.361 140 M HN 0.068 nan 8.290 nan 0.000 0.408 141 K N -0.136 120.258 120.400 -0.010 0.000 2.026 141 K HA -0.114 4.209 4.320 0.005 0.000 0.208 141 K C 1.865 178.461 176.600 -0.007 0.000 1.048 141 K CA 1.324 57.610 56.287 -0.003 0.000 0.929 141 K CB -0.366 32.136 32.500 0.003 0.000 0.713 141 K HN 0.132 nan 8.250 nan 0.000 0.439 142 V N 1.261 121.150 119.914 -0.041 0.000 2.427 142 V HA -0.238 3.885 4.120 0.005 0.000 0.248 142 V C 2.283 178.362 176.094 -0.026 0.000 1.051 142 V CA 1.951 64.223 62.300 -0.048 0.000 1.048 142 V CB -0.659 31.070 31.823 -0.157 0.000 0.666 142 V HN 0.373 nan 8.190 nan 0.000 0.456 143 A N -0.193 122.602 122.820 -0.041 0.000 1.978 143 A HA -0.265 4.058 4.320 0.005 0.000 0.220 143 A C 2.413 179.999 177.584 0.003 0.000 1.170 143 A CA 2.190 54.214 52.037 -0.022 0.000 0.636 143 A CB -0.482 18.504 19.000 -0.024 0.000 0.810 143 A HN 0.506 nan 8.150 nan 0.000 0.448 144 R N -1.289 119.215 120.500 0.007 0.000 2.080 144 R HA 0.151 4.494 4.340 0.005 0.000 0.222 144 R C 1.978 178.293 176.300 0.024 0.000 1.107 144 R CA 1.098 57.207 56.100 0.014 0.000 0.980 144 R CB -0.127 30.180 30.300 0.012 0.000 0.879 144 R HN 0.423 nan 8.270 nan 0.000 0.439 145 A N -1.342 121.501 122.820 0.038 0.000 2.229 145 A HA 0.080 4.403 4.320 0.005 0.000 0.211 145 A C 0.197 177.829 177.584 0.080 0.000 1.193 145 A CA 0.248 52.313 52.037 0.046 0.000 0.879 145 A CB 0.441 19.470 19.000 0.049 0.000 0.911 145 A HN 0.357 nan 8.150 nan 0.000 0.492 146 H N -0.544 118.518 119.070 -0.013 0.000 2.806 146 H HA 0.222 4.781 4.556 0.005 0.000 0.218 146 H C -2.536 172.776 175.328 -0.027 0.000 1.392 146 H CA -1.548 54.492 56.048 -0.014 0.000 1.358 146 H CB 0.783 30.540 29.762 -0.009 0.000 1.944 146 H HN 0.148 nan 8.280 nan 0.000 0.530 147 P HA -0.076 nan 4.420 nan 0.000 0.222 147 P C 0.659 177.981 177.300 0.037 0.000 1.147 147 P CA 0.877 64.009 63.100 0.054 0.000 0.790 147 P CB 0.471 32.196 31.700 0.042 0.000 0.780 148 K N -0.656 119.802 120.400 0.097 0.000 2.372 148 K HA 0.317 4.640 4.320 0.005 0.000 0.200 148 K C 0.902 177.478 176.600 -0.039 0.000 1.022 148 K CA -0.364 55.954 56.287 0.052 0.000 1.125 148 K CB 0.349 32.903 32.500 0.089 0.000 0.855 148 K HN 0.042 nan 8.250 nan 0.000 0.524 149 A N 1.817 124.489 122.820 -0.247 0.000 2.466 149 A HA 0.071 4.394 4.320 0.005 0.000 0.238 149 A C -0.074 177.363 177.584 -0.245 0.000 1.074 149 A CA 0.220 51.954 52.037 -0.504 0.000 0.774 149 A CB 0.289 18.775 19.000 -0.856 0.000 1.015 149 A HN -0.001 nan 8.150 nan 0.000 0.498 150 K N 2.167 122.451 120.400 -0.193 0.000 2.292 150 K HA 0.418 4.741 4.320 0.005 0.000 0.270 150 K C -0.823 175.674 176.600 -0.170 0.000 1.062 150 K CA 0.128 56.336 56.287 -0.132 0.000 0.916 150 K CB 0.854 33.326 32.500 -0.046 0.000 1.166 150 K HN 0.590 nan 8.250 nan 0.000 0.458 151 L N 2.249 123.346 121.223 -0.211 0.000 2.357 151 L HA 0.459 4.802 4.340 0.005 0.000 0.273 151 L C -0.037 176.792 176.870 -0.069 0.000 1.080 151 L CA -1.178 53.560 54.840 -0.170 0.000 0.803 151 L CB 1.412 43.239 42.059 -0.386 0.000 1.174 151 L HN 0.095 nan 8.230 nan 0.000 0.443 152 V N 4.154 124.095 119.914 0.046 0.000 2.407 152 V HA 0.298 4.421 4.120 0.005 0.000 0.291 152 V C -0.097 176.003 176.094 0.009 0.000 1.018 152 V CA -0.468 61.818 62.300 -0.024 0.000 0.842 152 V CB 2.002 33.767 31.823 -0.096 0.000 0.996 152 V HN 0.519 nan 8.190 nan 0.000 0.426 153 L N 5.868 127.025 121.223 -0.110 0.000 2.278 153 L HA 0.510 4.853 4.340 0.005 0.000 0.287 153 L C 0.553 177.247 176.870 -0.293 0.000 1.072 153 L CA -0.288 54.279 54.840 -0.455 0.000 0.819 153 L CB 0.477 42.304 42.059 -0.386 0.000 1.176 153 L HN 0.672 nan 8.230 nan 0.000 0.435 154 R N 6.234 126.538 120.500 -0.327 0.000 2.265 154 R HA 0.479 4.823 4.340 0.005 0.000 0.314 154 R C -0.537 175.701 176.300 -0.105 0.000 1.053 154 R CA -0.480 55.531 56.100 -0.148 0.000 0.931 154 R CB 0.704 30.930 30.300 -0.123 0.000 1.024 154 R HN 0.733 nan 8.270 nan 0.000 0.457 155 I N 1.038 121.606 120.570 -0.003 0.000 2.707 155 I HA 0.635 4.808 4.170 0.005 0.000 0.309 155 I C -0.087 176.046 176.117 0.026 0.000 1.001 155 I CA -1.204 60.096 61.300 0.000 0.000 1.129 155 I CB 1.948 39.956 38.000 0.014 0.000 1.308 155 I HN 0.636 nan 8.210 nan 0.000 0.466 156 A N 3.069 125.884 122.820 -0.008 0.000 2.483 156 A HA 0.530 4.854 4.320 0.005 0.000 0.238 156 A C 0.398 177.952 177.584 -0.051 0.000 1.070 156 A CA 0.429 52.456 52.037 -0.016 0.000 0.770 156 A CB -0.219 18.762 19.000 -0.031 0.000 1.008 156 A HN 0.938 nan 8.150 nan 0.000 0.497 157 T N -1.182 113.340 114.554 -0.052 0.000 2.907 157 T HA 0.529 4.882 4.350 0.005 0.000 0.290 157 T C -0.787 173.855 174.700 -0.096 0.000 1.066 157 T CA -0.574 61.458 62.100 -0.114 0.000 1.012 157 T CB 1.542 70.337 68.868 -0.121 0.000 1.184 157 T HN 0.470 nan 8.240 nan 0.000 0.522 158 D N 1.152 121.479 120.400 -0.121 0.000 2.494 158 D HA 0.217 4.860 4.640 0.005 0.000 0.217 158 D C 0.150 176.399 176.300 -0.086 0.000 1.153 158 D CA -0.647 53.298 54.000 -0.091 0.000 0.954 158 D CB 0.088 40.836 40.800 -0.087 0.000 1.034 158 D HN 0.600 nan 8.370 nan 0.000 0.518 159 D N 0.730 121.092 120.400 -0.064 0.000 2.358 159 D HA -0.068 4.575 4.640 0.005 0.000 0.224 159 D C 1.374 177.649 176.300 -0.042 0.000 1.123 159 D CA -0.063 53.907 54.000 -0.051 0.000 0.833 159 D CB -0.208 40.572 40.800 -0.034 0.000 0.946 159 D HN 0.202 nan 8.370 nan 0.000 0.505 160 S N 0.749 116.423 115.700 -0.043 0.000 2.419 160 S HA -0.219 4.254 4.470 0.005 0.000 0.235 160 S C 1.529 176.109 174.600 -0.033 0.000 1.019 160 S CA 0.709 58.886 58.200 -0.039 0.000 0.982 160 S CB -0.349 62.829 63.200 -0.037 0.000 0.789 160 S HN 0.278 nan 8.310 nan 0.000 0.490 161 K N 1.007 121.391 120.400 -0.027 0.000 2.358 161 K HA 0.471 4.794 4.320 0.005 0.000 0.200 161 K C 0.414 177.011 176.600 -0.006 0.000 1.030 161 K CA 0.185 56.462 56.287 -0.016 0.000 1.097 161 K CB 0.631 33.126 32.500 -0.007 0.000 0.862 161 K HN 0.448 nan 8.250 nan 0.000 0.534 162 A N 0.718 123.532 122.820 -0.010 0.000 2.371 162 A HA 0.162 4.485 4.320 0.005 0.000 0.257 162 A C 1.496 179.082 177.584 0.003 0.000 1.089 162 A CA -0.423 51.618 52.037 0.007 0.000 0.794 162 A CB 0.560 19.562 19.000 0.004 0.000 1.029 162 A HN -0.028 nan 8.150 nan 0.000 0.488 163 V N 0.544 120.477 119.914 0.032 0.000 2.295 163 V HA -0.205 3.919 4.120 0.005 0.000 0.246 163 V C 0.822 176.949 176.094 0.055 0.000 1.049 163 V CA 1.469 63.790 62.300 0.036 0.000 1.024 163 V CB -0.708 31.172 31.823 0.095 0.000 0.648 163 V HN 0.836 nan 8.190 nan 0.000 0.447 164 C N 1.640 120.978 119.300 0.064 0.000 2.291 164 C HA 0.509 4.972 4.460 0.005 0.000 0.322 164 C C 0.447 175.431 174.990 -0.010 0.000 1.205 164 C CA -1.303 57.750 59.018 0.058 0.000 1.495 164 C CB -0.340 27.394 27.740 -0.011 0.000 2.127 164 C HN 0.394 nan 8.230 nan 0.000 0.452 165 R N 2.513 123.007 120.500 -0.010 0.000 2.340 165 R HA 0.404 4.747 4.340 0.005 0.000 0.300 165 R C 0.270 176.544 176.300 -0.043 0.000 1.069 165 R CA -0.116 55.965 56.100 -0.032 0.000 0.984 165 R CB 0.760 31.039 30.300 -0.036 0.000 1.003 165 R HN 0.750 nan 8.270 nan 0.000 0.459 166 L N 0.620 121.815 121.223 -0.045 0.000 2.749 166 L HA 0.132 4.475 4.340 0.005 0.000 0.242 166 L C 1.690 178.555 176.870 -0.008 0.000 1.103 166 L CA 0.174 54.999 54.840 -0.024 0.000 0.906 166 L CB 0.326 42.364 42.059 -0.034 0.000 1.228 166 L HN 0.547 nan 8.230 nan 0.000 0.517 167 S N 0.090 115.780 115.700 -0.016 0.000 2.447 167 S HA -0.122 4.352 4.470 0.005 0.000 0.233 167 S C 1.929 176.497 174.600 -0.053 0.000 1.006 167 S CA 0.956 59.148 58.200 -0.013 0.000 0.957 167 S CB 0.044 63.234 63.200 -0.016 0.000 0.773 167 S HN 0.262 nan 8.310 nan 0.000 0.507 168 V N 1.194 121.061 119.914 -0.078 0.000 2.490 168 V HA -0.125 3.998 4.120 0.005 0.000 0.250 168 V C 2.040 178.034 176.094 -0.166 0.000 1.061 168 V CA 1.948 64.187 62.300 -0.101 0.000 1.064 168 V CB -0.236 31.533 31.823 -0.090 0.000 0.670 168 V HN 0.398 nan 8.190 nan 0.000 0.461 169 K N -2.007 118.237 120.400 -0.259 0.000 2.244 169 K HA 0.158 4.481 4.320 0.005 0.000 0.200 169 K C -0.122 176.061 176.600 -0.694 0.000 1.052 169 K CA 0.312 56.267 56.287 -0.554 0.000 0.980 169 K CB 0.278 32.302 32.500 -0.793 0.000 0.838 169 K HN 0.428 nan 8.250 nan 0.000 0.481 170 F N -0.342 119.584 119.950 -0.041 0.000 2.599 170 F HA 0.535 5.066 4.527 0.005 0.000 0.311 170 F C -0.168 175.605 175.800 -0.044 0.000 1.076 170 F CA -0.747 57.226 58.000 -0.044 0.000 0.937 170 F CB 2.420 41.395 39.000 -0.041 0.000 1.282 170 F HN 0.126 nan 8.300 nan 0.000 0.460 171 G N 1.209 110.102 108.800 0.156 0.000 3.448 171 G HA2 0.484 4.447 3.960 0.005 0.000 0.685 171 G HA3 0.484 4.447 3.960 0.005 0.000 0.685 171 G C -0.990 173.909 174.900 -0.002 0.000 1.151 171 G CA -0.783 44.348 45.100 0.052 0.000 1.023 171 G HN 1.082 nan 8.290 nan 0.000 0.499 172 A N 2.819 125.610 122.820 -0.049 0.000 2.425 172 A HA 0.856 5.179 4.320 0.005 0.000 0.249 172 A C 1.355 178.913 177.584 -0.044 0.000 1.084 172 A CA 0.821 52.822 52.037 -0.060 0.000 0.781 172 A CB 0.223 19.154 19.000 -0.114 0.000 1.019 172 A HN 2.380 nan 8.150 nan 0.000 0.490 173 T N 0.718 115.251 114.554 -0.035 0.000 2.795 173 T HA 0.239 4.592 4.350 0.005 0.000 0.314 173 T C 1.273 175.956 174.700 -0.028 0.000 1.069 173 T CA -0.167 61.915 62.100 -0.030 0.000 1.071 173 T CB 0.128 68.982 68.868 -0.024 0.000 0.988 173 T HN 0.422 nan 8.240 nan 0.000 0.543 174 L N 0.045 121.254 121.223 -0.023 0.000 2.083 174 L HA -0.072 4.271 4.340 0.005 0.000 0.209 174 L C 3.171 180.039 176.870 -0.004 0.000 1.083 174 L CA 1.582 56.415 54.840 -0.012 0.000 0.752 174 L CB -0.604 41.448 42.059 -0.011 0.000 0.899 174 L HN 0.759 nan 8.230 nan 0.000 0.433 175 R N -0.207 120.290 120.500 -0.006 0.000 2.073 175 R HA -0.139 4.204 4.340 0.005 0.000 0.234 175 R C 2.267 178.569 176.300 0.004 0.000 1.134 175 R CA 1.957 58.057 56.100 0.001 0.000 0.952 175 R CB -0.236 30.063 30.300 -0.001 0.000 0.850 175 R HN 0.184 nan 8.270 nan 0.000 0.433 176 T N 0.027 114.579 114.554 -0.004 0.000 2.821 176 T HA -0.076 4.277 4.350 0.005 0.000 0.267 176 T C 1.863 176.561 174.700 -0.004 0.000 1.046 176 T CA 1.530 63.628 62.100 -0.003 0.000 1.139 176 T CB -0.145 68.715 68.868 -0.014 0.000 0.871 176 T HN 0.259 nan 8.240 nan 0.000 0.454 177 S N 1.073 116.762 115.700 -0.018 0.000 2.370 177 S HA -0.129 4.344 4.470 0.005 0.000 0.226 177 S C 2.149 176.762 174.600 0.021 0.000 1.033 177 S CA 0.863 59.049 58.200 -0.024 0.000 1.011 177 S CB -0.270 62.913 63.200 -0.028 0.000 0.852 177 S HN 0.291 nan 8.310 nan 0.000 0.457 178 R N 1.259 121.778 120.500 0.031 0.000 2.083 178 R HA -0.051 4.293 4.340 0.005 0.000 0.237 178 R C 2.146 178.485 176.300 0.064 0.000 1.137 178 R CA 1.406 57.537 56.100 0.051 0.000 0.951 178 R CB -0.925 29.399 30.300 0.041 0.000 0.851 178 R HN 0.435 nan 8.270 nan 0.000 0.434 179 L N 0.538 121.792 121.223 0.052 0.000 2.093 179 L HA -0.158 4.185 4.340 0.005 0.000 0.208 179 L C 2.589 179.511 176.870 0.087 0.000 1.085 179 L CA 0.925 55.801 54.840 0.060 0.000 0.755 179 L CB -0.437 41.649 42.059 0.044 0.000 0.904 179 L HN 0.160 nan 8.230 nan 0.000 0.435 180 L N -0.521 120.759 121.223 0.095 0.000 2.046 180 L HA -0.236 4.107 4.340 0.005 0.000 0.208 180 L C 2.544 179.532 176.870 0.197 0.000 1.077 180 L CA 1.217 56.154 54.840 0.162 0.000 0.747 180 L CB -0.475 41.678 42.059 0.156 0.000 0.896 180 L HN 0.278 nan 8.230 nan 0.000 0.432 181 L N -0.473 120.852 121.223 0.170 0.000 2.017 181 L HA -0.216 4.127 4.340 0.005 0.000 0.208 181 L C 2.616 179.671 176.870 0.309 0.000 1.073 181 L CA 1.411 56.397 54.840 0.244 0.000 0.745 181 L CB -0.478 41.713 42.059 0.219 0.000 0.894 181 L HN 0.291 nan 8.230 nan 0.000 0.432 182 E N -0.404 119.906 120.200 0.183 0.000 2.077 182 E HA -0.260 4.093 4.350 0.005 0.000 0.193 182 E C 2.234 178.901 176.600 0.112 0.000 0.989 182 E CA 0.896 57.371 56.400 0.125 0.000 0.800 182 E CB -0.086 29.661 29.700 0.078 0.000 0.746 182 E HN 0.200 nan 8.360 nan 0.000 0.452 183 R N 1.349 121.915 120.500 0.110 0.000 2.081 183 R HA -0.111 4.233 4.340 0.005 0.000 0.235 183 R C 2.059 178.412 176.300 0.089 0.000 1.131 183 R CA 1.706 57.858 56.100 0.086 0.000 0.960 183 R CB -0.767 29.582 30.300 0.082 0.000 0.856 183 R HN 0.160 nan 8.270 nan 0.000 0.436 184 A N 0.388 123.285 122.820 0.128 0.000 1.908 184 A HA -0.201 4.122 4.320 0.005 0.000 0.218 184 A C 2.095 179.805 177.584 0.210 0.000 1.181 184 A CA 1.973 54.080 52.037 0.117 0.000 0.627 184 A CB -0.555 18.492 19.000 0.079 0.000 0.818 184 A HN 0.325 nan 8.150 nan 0.000 0.445 185 K N 0.264 120.826 120.400 0.270 0.000 2.026 185 K HA -0.152 4.172 4.320 0.005 0.000 0.208 185 K C 1.840 178.451 176.600 0.018 0.000 1.048 185 K CA 1.987 58.318 56.287 0.073 0.000 0.929 185 K CB -0.341 32.103 32.500 -0.093 0.000 0.713 185 K HN 0.637 nan 8.250 nan 0.000 0.439 186 E N -0.096 120.123 120.200 0.030 0.000 2.085 186 E HA -0.186 4.167 4.350 0.005 0.000 0.194 186 E C 1.698 178.306 176.600 0.013 0.000 0.994 186 E CA 1.408 57.816 56.400 0.015 0.000 0.801 186 E CB -0.137 29.576 29.700 0.021 0.000 0.743 186 E HN 0.286 nan 8.360 nan 0.000 0.453 187 L N 0.539 121.776 121.223 0.022 0.000 2.599 187 L HA 0.044 4.387 4.340 0.005 0.000 0.230 187 L C 0.699 177.575 176.870 0.010 0.000 1.141 187 L CA -0.033 54.813 54.840 0.009 0.000 0.877 187 L CB -0.223 41.833 42.059 -0.004 0.000 1.009 187 L HN 0.237 nan 8.230 nan 0.000 0.447 188 N N 0.859 119.573 118.700 0.023 0.000 2.780 188 N HA -0.188 4.556 4.740 0.005 0.000 0.248 188 N C -0.222 175.310 175.510 0.038 0.000 1.102 188 N CA 0.274 53.339 53.050 0.025 0.000 0.697 188 N CB -0.634 37.859 38.487 0.010 0.000 1.028 188 N HN 0.269 nan 8.380 nan 0.000 0.554 189 I N 0.532 121.133 120.570 0.053 0.000 2.437 189 I HA 0.150 4.323 4.170 0.005 0.000 0.298 189 I C 0.323 176.496 176.117 0.094 0.000 0.984 189 I CA -0.597 60.705 61.300 0.004 0.000 1.214 189 I CB 1.389 39.322 38.000 -0.111 0.000 1.365 189 I HN -0.037 nan 8.210 nan 0.000 0.469 190 D N 5.341 125.757 120.400 0.027 0.000 2.313 190 D HA 0.281 4.924 4.640 0.005 0.000 0.239 190 D C -0.832 175.352 176.300 -0.193 0.000 1.142 190 D CA -0.082 53.962 54.000 0.072 0.000 0.847 190 D CB 1.206 42.048 40.800 0.070 0.000 1.082 190 D HN 0.030 nan 8.370 nan 0.000 0.480 191 V N 4.868 124.454 119.914 -0.547 0.000 2.383 191 V HA 0.164 4.287 4.120 0.005 0.000 0.275 191 V C 1.317 177.091 176.094 -0.533 0.000 1.036 191 V CA -0.487 61.405 62.300 -0.680 0.000 0.889 191 V CB 1.416 32.614 31.823 -1.040 0.000 0.985 191 V HN 0.561 nan 8.190 nan 0.000 0.459 192 V N 1.788 121.450 119.914 -0.419 0.000 3.605 192 V HA 0.824 4.947 4.120 0.005 0.000 0.284 192 V C 0.595 176.290 176.094 -0.665 0.000 1.386 192 V CA 0.877 62.848 62.300 -0.547 0.000 1.053 192 V CB 0.069 31.512 31.823 -0.634 0.000 0.857 192 V HN 0.992 nan 8.190 nan 0.000 0.436 193 G N -0.614 107.887 108.800 -0.498 0.000 2.341 193 G HA2 0.529 4.492 3.960 0.005 0.000 0.299 193 G HA3 0.529 4.492 3.960 0.005 0.000 0.299 193 G C -1.881 172.887 174.900 -0.221 0.000 1.274 193 G CA 0.105 44.941 45.100 -0.442 0.000 0.853 193 G HN 0.458 nan 8.290 nan 0.000 0.493 194 V N 0.654 120.573 119.914 0.008 0.000 2.841 194 V HA 0.792 4.915 4.120 0.005 0.000 0.310 194 V C 0.051 176.160 176.094 0.026 0.000 1.090 194 V CA -0.148 62.196 62.300 0.073 0.000 0.930 194 V CB 1.655 33.644 31.823 0.278 0.000 1.014 194 V HN 1.466 nan 8.190 nan 0.000 0.425 195 S N 3.576 119.260 115.700 -0.026 0.000 2.634 195 S HA 0.991 5.465 4.470 0.005 0.000 0.296 195 S C -0.999 173.614 174.600 0.021 0.000 1.104 195 S CA -0.632 57.503 58.200 -0.107 0.000 0.920 195 S CB 2.436 65.548 63.200 -0.147 0.000 1.111 195 S HN 1.185 nan 8.310 nan 0.000 0.493 196 F N -1.469 118.460 119.950 -0.035 0.000 2.686 196 F HA 0.717 5.247 4.527 0.005 0.000 0.311 196 F C -1.273 174.523 175.800 -0.007 0.000 1.128 196 F CA -0.908 57.075 58.000 -0.029 0.000 0.946 196 F CB 1.150 40.117 39.000 -0.056 0.000 1.336 196 F HN 0.835 nan 8.300 nan 0.000 0.457 197 H N 1.894 121.086 119.070 0.204 0.000 2.840 197 H HA 0.422 4.981 4.556 0.005 0.000 0.340 197 H C 0.138 175.494 175.328 0.046 0.000 1.004 197 H CA -0.417 55.685 56.048 0.089 0.000 1.288 197 H CB 2.438 32.215 29.762 0.026 0.000 1.607 197 H HN 0.814 nan 8.280 nan 0.000 0.522 198 V N 2.200 122.163 119.914 0.082 0.000 3.510 198 V HA 0.354 4.477 4.120 0.005 0.000 0.270 198 V C 0.772 176.878 176.094 0.020 0.000 1.201 198 V CA 0.815 63.035 62.300 -0.134 0.000 1.166 198 V CB -0.823 30.602 31.823 -0.663 0.000 0.825 198 V HN 0.993 nan 8.190 nan 0.000 0.484 199 G N -0.391 108.587 108.800 0.296 0.000 2.770 199 G HA2 -0.022 3.942 3.960 0.005 0.000 0.686 199 G HA3 -0.022 3.942 3.960 0.005 0.000 0.686 199 G C -0.472 174.539 174.900 0.184 0.000 1.180 199 G CA -0.198 44.964 45.100 0.103 0.000 0.767 199 G HN 0.818 nan 8.290 nan 0.000 0.646 200 S N 0.049 115.786 115.700 0.062 0.000 2.562 200 S HA 0.571 5.044 4.470 0.005 0.000 0.281 200 S C 1.546 176.217 174.600 0.118 0.000 1.333 200 S CA 1.653 59.938 58.200 0.142 0.000 1.052 200 S CB 0.497 63.692 63.200 -0.008 0.000 0.884 200 S HN 2.587 nan 8.310 nan 0.000 0.506 201 G N 2.907 111.805 108.800 0.164 0.000 2.333 201 G HA2 -0.248 3.716 3.960 0.005 0.000 0.296 201 G HA3 -0.248 3.716 3.960 0.005 0.000 0.296 201 G C 0.378 175.350 174.900 0.119 0.000 1.059 201 G CA 0.019 45.209 45.100 0.151 0.000 1.050 201 G HN 1.180 nan 8.290 nan 0.000 0.508 202 C N 1.139 120.510 119.300 0.118 0.000 2.611 202 C HA 0.566 5.029 4.460 0.005 0.000 0.416 202 C C 2.034 177.087 174.990 0.106 0.000 1.366 202 C CA 1.266 60.336 59.018 0.086 0.000 1.761 202 C CB -0.011 27.782 27.740 0.088 0.000 2.619 202 C HN 1.253 nan 8.230 nan 0.000 0.606 203 T N -0.395 114.204 114.554 0.075 0.000 2.975 203 T HA 0.190 4.543 4.350 0.005 0.000 0.261 203 T C -0.159 174.580 174.700 0.065 0.000 0.984 203 T CA 0.265 62.410 62.100 0.075 0.000 0.911 203 T CB -0.088 68.815 68.868 0.059 0.000 1.127 203 T HN 0.736 nan 8.240 nan 0.000 0.514 204 D N 2.638 123.071 120.400 0.054 0.000 2.446 204 D HA 0.366 5.009 4.640 0.005 0.000 0.251 204 D C -1.758 174.589 176.300 0.078 0.000 1.137 204 D CA -2.533 51.496 54.000 0.048 0.000 0.890 204 D CB 2.185 42.996 40.800 0.017 0.000 1.071 204 D HN -0.034 nan 8.370 nan 0.000 0.528 205 P HA -0.110 nan 4.420 nan 0.000 0.222 205 P C 0.995 178.409 177.300 0.190 0.000 1.147 205 P CA 0.490 63.716 63.100 0.210 0.000 0.790 205 P CB 0.650 32.431 31.700 0.135 0.000 0.780 206 E N 0.024 120.280 120.200 0.094 0.000 2.267 206 E HA -0.121 4.232 4.350 0.005 0.000 0.197 206 E C 1.959 178.576 176.600 0.029 0.000 0.998 206 E CA 1.704 58.141 56.400 0.061 0.000 0.830 206 E CB -1.073 28.644 29.700 0.028 0.000 0.751 206 E HN 0.431 nan 8.360 nan 0.000 0.491 207 T N -2.037 112.511 114.554 -0.011 0.000 2.881 207 T HA -0.115 4.238 4.350 0.005 0.000 0.270 207 T C 1.924 176.499 174.700 -0.209 0.000 1.068 207 T CA 0.669 62.694 62.100 -0.126 0.000 1.131 207 T CB -0.552 68.214 68.868 -0.170 0.000 0.871 207 T HN 0.031 nan 8.240 nan 0.000 0.479 208 F N 1.362 121.259 119.950 -0.089 0.000 2.134 208 F HA -0.023 4.508 4.527 0.006 0.000 0.299 208 F C 2.701 178.428 175.800 -0.123 0.000 1.097 208 F CA 0.925 58.878 58.000 -0.079 0.000 1.264 208 F CB -0.423 38.598 39.000 0.035 0.000 1.001 208 F HN 0.012 nan 8.300 nan 0.000 0.479 209 V N -0.484 119.500 119.914 0.117 0.000 2.295 209 V HA -0.321 3.803 4.120 0.005 0.000 0.246 209 V C 2.237 178.284 176.094 -0.078 0.000 1.049 209 V CA 2.032 64.367 62.300 0.058 0.000 1.024 209 V CB -0.777 31.097 31.823 0.084 0.000 0.648 209 V HN 0.261 nan 8.190 nan 0.000 0.447 210 Q N 0.665 120.394 119.800 -0.119 0.000 2.084 210 Q HA -0.151 4.192 4.340 0.005 0.000 0.202 210 Q C 2.124 177.942 176.000 -0.304 0.000 0.978 210 Q CA 2.247 57.941 55.803 -0.182 0.000 0.844 210 Q CB -0.612 28.036 28.738 -0.150 0.000 0.898 210 Q HN 0.600 nan 8.270 nan 0.000 0.426 211 A N -0.066 122.476 122.820 -0.464 0.000 1.898 211 A HA -0.118 4.205 4.320 0.005 0.000 0.216 211 A C 2.121 179.306 177.584 -0.665 0.000 1.181 211 A CA 1.426 52.966 52.037 -0.827 0.000 0.620 211 A CB -0.670 17.295 19.000 -1.725 0.000 0.819 211 A HN 0.471 nan 8.150 nan 0.000 0.442 212 I N -0.823 119.509 120.570 -0.396 0.000 2.252 212 I HA -0.209 3.964 4.170 0.005 0.000 0.245 212 I C 2.848 178.821 176.117 -0.241 0.000 1.102 212 I CA 1.429 62.699 61.300 -0.051 0.000 1.385 212 I CB -0.248 37.838 38.000 0.143 0.000 1.064 212 I HN 0.412 nan 8.210 nan 0.000 0.414 213 S N 0.730 116.069 115.700 -0.601 0.000 2.353 213 S HA -0.247 4.226 4.470 0.005 0.000 0.222 213 S C 1.768 176.122 174.600 -0.410 0.000 1.035 213 S CA 2.031 59.668 58.200 -0.939 0.000 1.025 213 S CB -0.318 62.467 63.200 -0.692 0.000 0.902 213 S HN 0.366 nan 8.310 nan 0.000 0.440 214 D N 1.349 121.594 120.400 -0.259 0.000 2.123 214 D HA -0.042 4.601 4.640 0.005 0.000 0.196 214 D C 2.208 178.497 176.300 -0.018 0.000 0.992 214 D CA 1.369 55.291 54.000 -0.130 0.000 0.833 214 D CB -0.711 40.003 40.800 -0.144 0.000 0.954 214 D HN 0.503 nan 8.370 nan 0.000 0.455 215 A N 0.728 123.570 122.820 0.038 0.000 1.933 215 A HA -0.201 4.122 4.320 0.005 0.000 0.218 215 A C 2.170 179.984 177.584 0.383 0.000 1.175 215 A CA 1.876 54.064 52.037 0.251 0.000 0.628 215 A CB -0.452 18.726 19.000 0.296 0.000 0.814 215 A HN 0.118 nan 8.150 nan 0.000 0.444 216 R N -0.196 120.429 120.500 0.209 0.000 2.081 216 R HA -0.142 4.201 4.340 0.005 0.000 0.235 216 R C 1.991 178.348 176.300 0.095 0.000 1.131 216 R CA 2.272 58.357 56.100 -0.025 0.000 0.960 216 R CB -1.435 28.689 30.300 -0.293 0.000 0.856 216 R HN 0.507 nan 8.270 nan 0.000 0.436 217 C N -0.747 118.588 119.300 0.058 0.000 2.401 217 C HA -0.080 4.383 4.460 0.005 0.000 0.276 217 C C 2.612 177.678 174.990 0.127 0.000 1.233 217 C CA 1.000 60.060 59.018 0.070 0.000 1.753 217 C CB -0.768 26.988 27.740 0.027 0.000 2.029 217 C HN 0.405 nan 8.230 nan 0.000 0.478 218 V N -0.340 119.678 119.914 0.173 0.000 2.379 218 V HA -0.154 3.969 4.120 0.005 0.000 0.245 218 V C 2.089 178.318 176.094 0.225 0.000 1.044 218 V CA 1.789 64.192 62.300 0.172 0.000 1.036 218 V CB -0.834 31.074 31.823 0.142 0.000 0.664 218 V HN 0.365 nan 8.190 nan 0.000 0.453 219 F N 1.272 121.292 119.950 0.116 0.000 2.063 219 F HA -0.242 4.289 4.527 0.005 0.000 0.298 219 F C 2.333 178.196 175.800 0.104 0.000 1.109 219 F CA 2.139 60.221 58.000 0.137 0.000 1.212 219 F CB -0.680 38.445 39.000 0.209 0.000 0.973 219 F HN 0.232 nan 8.300 nan 0.000 0.480 220 D N -0.437 120.125 120.400 0.270 0.000 2.117 220 D HA -0.197 4.447 4.640 0.005 0.000 0.197 220 D C 2.411 178.786 176.300 0.126 0.000 0.987 220 D CA 1.400 55.496 54.000 0.159 0.000 0.829 220 D CB -0.472 40.394 40.800 0.109 0.000 0.961 220 D HN 0.280 nan 8.370 nan 0.000 0.460 221 M N 0.227 119.899 119.600 0.121 0.000 2.175 221 M HA -0.040 4.444 4.480 0.005 0.000 0.264 221 M C 2.304 178.680 176.300 0.126 0.000 1.063 221 M CA 1.475 56.837 55.300 0.103 0.000 1.119 221 M CB -0.383 32.270 32.600 0.089 0.000 1.377 221 M HN 0.028 nan 8.290 nan 0.000 0.415 222 G N 0.126 109.010 108.800 0.139 0.000 2.418 222 G HA2 -0.141 3.823 3.960 0.005 0.000 0.217 222 G HA3 -0.141 3.823 3.960 0.005 0.000 0.217 222 G C 1.635 176.657 174.900 0.203 0.000 1.158 222 G CA 0.973 46.199 45.100 0.210 0.000 0.771 222 G HN 0.530 nan 8.290 nan 0.000 0.545 223 A N 1.023 123.927 122.820 0.139 0.000 1.908 223 A HA -0.057 4.266 4.320 0.005 0.000 0.218 223 A C 2.156 179.781 177.584 0.068 0.000 1.181 223 A CA 2.012 54.114 52.037 0.107 0.000 0.627 223 A CB -0.438 18.628 19.000 0.111 0.000 0.818 223 A HN 0.456 nan 8.150 nan 0.000 0.445 224 E N -0.387 119.854 120.200 0.068 0.000 2.110 224 E HA -0.138 4.215 4.350 0.005 0.000 0.193 224 E C 1.947 178.557 176.600 0.016 0.000 0.988 224 E CA 1.589 58.014 56.400 0.041 0.000 0.804 224 E CB -0.301 29.427 29.700 0.046 0.000 0.745 224 E HN 0.673 nan 8.360 nan 0.000 0.458 225 V N -3.407 116.522 119.914 0.025 0.000 3.129 225 V HA 0.311 4.434 4.120 0.005 0.000 0.259 225 V C 1.381 177.364 176.094 -0.185 0.000 1.116 225 V CA 0.991 63.269 62.300 -0.038 0.000 1.127 225 V CB 0.228 32.072 31.823 0.036 0.000 0.742 225 V HN 0.308 nan 8.190 nan 0.000 0.474 226 G N -0.883 107.815 108.800 -0.169 0.000 2.198 226 G HA2 -0.126 3.837 3.960 0.005 0.000 0.156 226 G HA3 -0.126 3.837 3.960 0.005 0.000 0.156 226 G C -0.390 174.349 174.900 -0.269 0.000 1.012 226 G CA -0.181 44.779 45.100 -0.233 0.000 0.692 226 G HN 0.421 nan 8.290 nan 0.000 0.492 227 F N 2.136 122.086 119.950 0.000 0.000 2.375 227 F HA 0.585 5.115 4.527 0.005 0.000 0.333 227 F C 1.214 177.015 175.800 0.003 0.000 1.104 227 F CA -0.245 57.749 58.000 -0.011 0.000 1.149 227 F CB 1.828 40.799 39.000 -0.047 0.000 1.190 227 F HN 0.156 nan 8.300 nan 0.000 0.533 228 S N 3.884 119.729 115.700 0.242 0.000 2.665 228 S HA 0.425 4.898 4.470 0.005 0.000 0.230 228 S C -0.432 174.285 174.600 0.196 0.000 1.326 228 S CA -0.983 57.335 58.200 0.197 0.000 1.055 228 S CB -0.423 62.891 63.200 0.191 0.000 1.178 228 S HN 0.423 nan 8.310 nan 0.000 0.489 229 M N 3.932 123.552 119.600 0.034 0.000 2.200 229 M HA 0.209 4.692 4.480 0.005 0.000 0.355 229 M C 0.017 176.346 176.300 0.049 0.000 1.283 229 M CA -0.024 55.101 55.300 -0.291 0.000 1.124 229 M CB -0.401 31.637 32.600 -0.937 0.000 1.625 229 M HN 0.915 nan 8.290 nan 0.000 0.463 230 Y N 1.238 121.564 120.300 0.042 0.000 2.648 230 Y HA 0.567 5.120 4.550 0.005 0.000 0.270 230 Y C -0.614 175.437 175.900 0.253 0.000 1.043 230 Y CA -0.771 57.472 58.100 0.237 0.000 1.238 230 Y CB 0.362 38.907 38.460 0.141 0.000 1.385 230 Y HN 0.474 nan 8.280 nan 0.000 0.569 231 L N 2.704 123.899 121.223 -0.047 0.000 2.298 231 L HA 0.623 4.966 4.340 0.005 0.000 0.284 231 L C -1.460 175.495 176.870 0.142 0.000 1.013 231 L CA -1.150 53.700 54.840 0.016 0.000 0.824 231 L CB 1.642 43.589 42.059 -0.188 0.000 1.221 231 L HN 0.299 nan 8.230 nan 0.000 0.418 232 L N 5.149 126.398 121.223 0.044 0.000 2.313 232 L HA 0.566 4.909 4.340 0.005 0.000 0.283 232 L C -1.186 175.573 176.870 -0.184 0.000 1.013 232 L CA 0.033 54.790 54.840 -0.139 0.000 0.816 232 L CB 1.473 43.184 42.059 -0.580 0.000 1.236 232 L HN 0.555 nan 8.230 nan 0.000 0.419 233 D N 4.710 124.974 120.400 -0.227 0.000 2.462 233 D HA 0.228 4.871 4.640 0.005 0.000 0.245 233 D C 0.602 176.585 176.300 -0.528 0.000 1.122 233 D CA -0.363 53.465 54.000 -0.287 0.000 0.864 233 D CB 1.010 41.654 40.800 -0.259 0.000 1.098 233 D HN 0.623 nan 8.370 nan 0.000 0.541 234 I N 1.176 121.455 120.570 -0.484 0.000 3.812 234 I HA 0.436 4.609 4.170 0.005 0.000 0.320 234 I C 1.053 176.833 176.117 -0.563 0.000 1.276 234 I CA -0.074 60.722 61.300 -0.839 0.000 1.164 234 I CB -0.311 37.623 38.000 -0.111 0.000 1.009 234 I HN 0.443 nan 8.210 nan 0.000 0.431 235 G N 1.179 109.762 108.800 -0.363 0.000 2.552 235 G HA2 -0.130 3.833 3.960 0.005 0.000 0.265 235 G HA3 -0.130 3.833 3.960 0.005 0.000 0.265 235 G C 0.093 174.930 174.900 -0.105 0.000 1.234 235 G CA -0.232 44.702 45.100 -0.277 0.000 0.944 235 G HN 0.808 nan 8.290 nan 0.000 0.568 236 G N -3.172 105.291 108.800 -0.562 0.000 3.234 236 G HA2 0.722 4.686 3.960 0.005 0.000 0.159 236 G HA3 0.722 4.686 3.960 0.005 0.000 0.159 236 G C 1.348 175.990 174.900 -0.429 0.000 1.175 236 G CA 1.232 46.236 45.100 -0.159 0.000 0.900 236 G HN 2.600 nan 8.290 nan 0.000 0.621 237 G N -1.794 107.000 108.800 -0.009 0.000 2.195 237 G HA2 -0.167 3.796 3.960 0.005 0.000 0.224 237 G HA3 -0.167 3.796 3.960 0.005 0.000 0.224 237 G C 0.224 175.155 174.900 0.052 0.000 0.990 237 G CA 0.127 45.254 45.100 0.044 0.000 0.639 237 G HN 0.616 nan 8.290 nan 0.000 0.514 238 F N 2.996 123.193 119.950 0.413 0.000 2.459 238 F HA 0.472 5.003 4.527 0.006 0.000 0.346 238 F C -0.816 175.216 175.800 0.386 0.000 1.128 238 F CA -1.865 56.391 58.000 0.426 0.000 1.268 238 F CB 0.195 39.479 39.000 0.472 0.000 1.161 238 F HN -0.083 nan 8.300 nan 0.000 0.583 239 P HA 0.144 nan 4.420 nan 0.000 0.274 239 P C 0.215 177.720 177.300 0.342 0.000 1.231 239 P CA -0.247 63.082 63.100 0.382 0.000 0.790 239 P CB 1.057 32.952 31.700 0.326 0.000 0.951 240 G N -0.354 108.575 108.800 0.215 0.000 3.159 240 G HA2 0.253 4.217 3.960 0.005 0.000 0.232 240 G HA3 0.253 4.217 3.960 0.005 0.000 0.232 240 G C 0.268 175.185 174.900 0.027 0.000 1.116 240 G CA 0.170 45.317 45.100 0.078 0.000 0.767 240 G HN 0.745 nan 8.290 nan 0.000 0.547 241 S N -1.556 114.196 115.700 0.087 0.000 2.688 241 S HA 0.461 4.934 4.470 0.005 0.000 0.275 241 S C -0.052 174.610 174.600 0.104 0.000 1.175 241 S CA -0.537 57.707 58.200 0.073 0.000 0.818 241 S CB 1.588 64.840 63.200 0.086 0.000 1.157 241 S HN -0.150 nan 8.310 nan 0.000 0.482 242 E N 0.405 120.659 120.200 0.090 0.000 2.474 242 E HA 0.090 4.443 4.350 0.005 0.000 0.194 242 E C -0.182 176.475 176.600 0.095 0.000 1.041 242 E CA 0.365 56.823 56.400 0.097 0.000 0.874 242 E CB -0.264 29.483 29.700 0.078 0.000 0.914 242 E HN 0.723 nan 8.360 nan 0.000 0.498 243 D N 1.258 121.716 120.400 0.096 0.000 2.982 243 D HA 0.026 4.670 4.640 0.005 0.000 0.238 243 D C -0.367 175.998 176.300 0.109 0.000 1.168 243 D CA -0.117 53.940 54.000 0.095 0.000 0.947 243 D CB -0.344 40.514 40.800 0.097 0.000 1.147 243 D HN -0.142 nan 8.370 nan 0.000 0.450 244 V N -2.494 117.487 119.914 0.111 0.000 3.114 244 V HA 0.409 4.532 4.120 0.005 0.000 0.308 244 V C 1.130 177.287 176.094 0.105 0.000 1.168 244 V CA -1.087 61.285 62.300 0.120 0.000 1.015 244 V CB 1.984 33.897 31.823 0.149 0.000 1.050 244 V HN -0.112 nan 8.190 nan 0.000 0.433 245 K N 0.565 121.024 120.400 0.098 0.000 2.062 245 K HA 0.115 4.438 4.320 0.005 0.000 0.205 245 K C 0.476 177.129 176.600 0.088 0.000 1.051 245 K CA 1.208 57.544 56.287 0.082 0.000 0.941 245 K CB 0.038 32.581 32.500 0.071 0.000 0.719 245 K HN 0.649 nan 8.250 nan 0.000 0.440 246 L N 2.567 123.855 121.223 0.109 0.000 2.283 246 L HA 0.272 4.615 4.340 0.005 0.000 0.281 246 L C -1.096 175.867 176.870 0.155 0.000 1.033 246 L CA -0.207 54.704 54.840 0.118 0.000 0.848 246 L CB 1.013 43.145 42.059 0.122 0.000 1.226 246 L HN -0.084 nan 8.230 nan 0.000 0.429 247 K N 2.898 123.384 120.400 0.143 0.000 2.126 247 K HA 0.142 4.465 4.320 0.005 0.000 0.257 247 K C 0.711 177.450 176.600 0.233 0.000 1.007 247 K CA -0.334 56.066 56.287 0.189 0.000 0.928 247 K CB 0.802 33.392 32.500 0.149 0.000 1.013 247 K HN 0.488 nan 8.250 nan 0.000 0.473 248 F N 2.029 122.066 119.950 0.146 0.000 2.063 248 F HA -0.253 4.277 4.527 0.004 0.000 0.298 248 F C 1.564 177.377 175.800 0.022 0.000 1.109 248 F CA 1.996 60.078 58.000 0.136 0.000 1.212 248 F CB -0.035 39.075 39.000 0.184 0.000 0.973 248 F HN 0.633 nan 8.300 nan 0.000 0.480 249 E N 0.047 120.183 120.200 -0.107 0.000 2.204 249 E HA -0.187 4.166 4.350 0.005 0.000 0.195 249 E C 2.173 178.654 176.600 -0.199 0.000 0.990 249 E CA 1.187 57.428 56.400 -0.264 0.000 0.821 249 E CB -0.357 29.286 29.700 -0.095 0.000 0.750 249 E HN 0.548 nan 8.360 nan 0.000 0.477 250 E N -0.053 120.096 120.200 -0.085 0.000 2.208 250 E HA -0.116 4.237 4.350 0.005 0.000 0.193 250 E C 1.751 178.306 176.600 -0.074 0.000 0.988 250 E CA 0.556 56.923 56.400 -0.055 0.000 0.828 250 E CB 0.098 29.802 29.700 0.006 0.000 0.763 250 E HN 0.321 nan 8.360 nan 0.000 0.478 251 I N 0.548 121.063 120.570 -0.092 0.000 2.277 251 I HA -0.206 3.967 4.170 0.005 0.000 0.243 251 I C 2.721 178.673 176.117 -0.275 0.000 1.094 251 I CA 1.483 62.719 61.300 -0.106 0.000 1.393 251 I CB -0.502 37.511 38.000 0.022 0.000 1.078 251 I HN 0.146 nan 8.210 nan 0.000 0.417 252 T N -1.090 113.186 114.554 -0.463 0.000 2.867 252 T HA -0.068 4.285 4.350 0.005 0.000 0.268 252 T C 2.005 176.496 174.700 -0.347 0.000 1.057 252 T CA 1.065 62.834 62.100 -0.551 0.000 1.136 252 T CB -1.047 67.298 68.868 -0.871 0.000 0.874 252 T HN 0.420 nan 8.240 nan 0.000 0.466 253 G N 1.292 109.933 108.800 -0.265 0.000 2.450 253 G HA2 -0.120 3.843 3.960 0.005 0.000 0.220 253 G HA3 -0.120 3.843 3.960 0.005 0.000 0.220 253 G C 1.675 176.506 174.900 -0.116 0.000 1.130 253 G CA 1.176 46.176 45.100 -0.166 0.000 0.760 253 G HN 0.730 nan 8.290 nan 0.000 0.557 254 V N -1.371 118.480 119.914 -0.106 0.000 2.992 254 V HA 0.250 4.374 4.120 0.005 0.000 0.250 254 V C 2.428 178.494 176.094 -0.047 0.000 1.090 254 V CA 0.590 62.860 62.300 -0.050 0.000 1.101 254 V CB -0.215 31.606 31.823 -0.003 0.000 0.743 254 V HN 0.314 nan 8.190 nan 0.000 0.468 255 I N 1.265 121.760 120.570 -0.126 0.000 2.142 255 I HA -0.156 4.017 4.170 0.005 0.000 0.240 255 I C 2.630 178.709 176.117 -0.064 0.000 1.078 255 I CA 1.894 63.123 61.300 -0.118 0.000 1.343 255 I CB -0.570 37.254 38.000 -0.294 0.000 1.046 255 I HN 0.345 nan 8.210 nan 0.000 0.405 256 N N 0.761 119.391 118.700 -0.116 0.000 2.036 256 N HA -0.160 4.583 4.740 0.005 0.000 0.195 256 N C -0.709 174.783 175.510 -0.029 0.000 1.037 256 N CA 1.705 54.703 53.050 -0.086 0.000 0.855 256 N CB -1.777 36.634 38.487 -0.127 0.000 1.033 256 N HN 0.246 nan 8.380 nan 0.000 0.423 257 P HA -0.047 nan 4.420 nan 0.000 0.216 257 P C 1.042 178.362 177.300 0.033 0.000 1.150 257 P CA 1.486 64.582 63.100 -0.007 0.000 0.837 257 P CB -0.066 31.625 31.700 -0.014 0.000 0.786 258 A N -0.726 122.146 122.820 0.088 0.000 1.930 258 A HA -0.137 4.186 4.320 0.005 0.000 0.217 258 A C 2.198 179.952 177.584 0.284 0.000 1.175 258 A CA 1.254 53.421 52.037 0.216 0.000 0.627 258 A CB -1.565 17.580 19.000 0.241 0.000 0.815 258 A HN 0.102 nan 8.150 nan 0.000 0.443 259 L N -0.416 120.925 121.223 0.196 0.000 2.017 259 L HA -0.197 4.146 4.340 0.005 0.000 0.208 259 L C 2.040 179.017 176.870 0.179 0.000 1.073 259 L CA 1.548 56.522 54.840 0.223 0.000 0.745 259 L CB -0.757 41.368 42.059 0.109 0.000 0.894 259 L HN 0.297 nan 8.230 nan 0.000 0.432 260 D N -0.070 120.378 120.400 0.080 0.000 2.178 260 D HA -0.204 4.439 4.640 0.005 0.000 0.201 260 D C 2.066 178.353 176.300 -0.021 0.000 0.980 260 D CA 1.179 55.196 54.000 0.028 0.000 0.842 260 D CB -0.003 40.795 40.800 -0.004 0.000 0.948 260 D HN 0.308 nan 8.370 nan 0.000 0.472 261 K N -0.634 119.727 120.400 -0.065 0.000 2.067 261 K HA -0.094 4.229 4.320 0.005 0.000 0.203 261 K C 1.585 177.979 176.600 -0.343 0.000 1.048 261 K CA 0.789 56.925 56.287 -0.252 0.000 0.954 261 K CB 0.012 32.268 32.500 -0.406 0.000 0.737 261 K HN 0.095 nan 8.250 nan 0.000 0.444 262 Y N -1.208 119.039 120.300 -0.088 0.000 2.503 262 Y HA 0.178 4.731 4.550 0.005 0.000 0.277 262 Y C 0.173 175.665 175.900 -0.679 0.000 1.102 262 Y CA 0.164 58.066 58.100 -0.329 0.000 1.261 262 Y CB 0.651 38.953 38.460 -0.264 0.000 1.096 262 Y HN -0.088 nan 8.280 nan 0.000 0.546 263 F N 1.308 121.291 119.950 0.055 0.000 2.564 263 F HA 0.369 4.899 4.527 0.005 0.000 0.329 263 F C -2.545 173.256 175.800 0.002 0.000 1.458 263 F CA -2.794 55.198 58.000 -0.012 0.000 1.117 263 F CB 0.365 39.328 39.000 -0.061 0.000 1.383 263 F HN -0.203 nan 8.300 nan 0.000 0.571 264 P HA 0.015 nan 4.420 nan 0.000 0.269 264 P C 0.923 178.272 177.300 0.083 0.000 1.215 264 P CA 0.311 63.445 63.100 0.057 0.000 0.780 264 P CB 1.321 33.026 31.700 0.008 0.000 0.898 265 S N 1.026 116.767 115.700 0.068 0.000 2.400 265 S HA -0.209 4.264 4.470 0.005 0.000 0.232 265 S C 1.176 175.820 174.600 0.073 0.000 1.025 265 S CA 1.514 59.759 58.200 0.074 0.000 0.993 265 S CB -1.198 62.036 63.200 0.056 0.000 0.808 265 S HN 0.583 nan 8.310 nan 0.000 0.478 266 D N 2.312 122.746 120.400 0.056 0.000 2.378 266 D HA -0.029 4.614 4.640 0.005 0.000 0.227 266 D C 1.675 178.015 176.300 0.067 0.000 1.012 266 D CA 0.846 54.877 54.000 0.053 0.000 0.905 266 D CB -0.663 40.157 40.800 0.034 0.000 0.895 266 D HN 0.623 nan 8.370 nan 0.000 0.532 267 S N -1.201 114.553 115.700 0.089 0.000 2.527 267 S HA 0.236 4.710 4.470 0.005 0.000 0.222 267 S C 1.975 176.672 174.600 0.160 0.000 0.985 267 S CA 0.343 58.614 58.200 0.120 0.000 0.921 267 S CB -0.519 62.761 63.200 0.133 0.000 0.772 267 S HN 0.556 nan 8.310 nan 0.000 0.529 268 G N 0.538 109.424 108.800 0.144 0.000 2.184 268 G HA2 -0.269 3.695 3.960 0.005 0.000 0.264 268 G HA3 -0.269 3.695 3.960 0.005 0.000 0.264 268 G C 0.198 175.225 174.900 0.212 0.000 0.975 268 G CA 0.182 45.372 45.100 0.151 0.000 0.642 268 G HN 1.047 nan 8.290 nan 0.000 0.536 269 V N 1.073 121.140 119.914 0.255 0.000 2.655 269 V HA 0.469 4.592 4.120 0.005 0.000 0.300 269 V C 1.056 177.278 176.094 0.213 0.000 1.044 269 V CA 0.187 62.667 62.300 0.300 0.000 1.095 269 V CB 1.059 33.069 31.823 0.312 0.000 0.952 269 V HN 0.461 nan 8.190 nan 0.000 0.485 270 R N 6.572 127.211 120.500 0.231 0.000 2.229 270 R HA 0.500 4.843 4.340 0.005 0.000 0.332 270 R C -0.883 175.476 176.300 0.099 0.000 0.989 270 R CA -0.586 55.616 56.100 0.170 0.000 0.842 270 R CB 0.738 31.165 30.300 0.212 0.000 1.119 270 R HN 0.776 nan 8.270 nan 0.000 0.456 271 I N 7.285 127.894 120.570 0.065 0.000 2.336 271 I HA 0.322 4.495 4.170 0.005 0.000 0.292 271 I C 0.456 176.606 176.117 0.054 0.000 0.991 271 I CA -0.689 60.615 61.300 0.006 0.000 1.227 271 I CB 1.254 39.245 38.000 -0.015 0.000 1.366 271 I HN 0.571 nan 8.210 nan 0.000 0.466 272 I N 3.224 123.794 120.570 -0.001 0.000 3.170 272 I HA 1.032 5.205 4.170 0.005 0.000 0.312 272 I C -0.679 175.466 176.117 0.045 0.000 1.085 272 I CA -0.666 60.655 61.300 0.036 0.000 0.999 272 I CB 2.278 40.163 38.000 -0.192 0.000 1.233 272 I HN 0.589 nan 8.210 nan 0.000 0.467 273 A N 1.979 124.885 122.820 0.143 0.000 2.569 273 A HA 0.698 5.021 4.320 0.005 0.000 0.290 273 A C -1.036 176.627 177.584 0.132 0.000 1.136 273 A CA -0.631 51.515 52.037 0.181 0.000 0.710 273 A CB 1.720 21.022 19.000 0.504 0.000 1.303 273 A HN 0.799 nan 8.150 nan 0.000 0.413 274 E N 1.217 121.503 120.200 0.144 0.000 3.659 274 E HA 0.238 4.592 4.350 0.005 0.000 0.217 274 E C -2.643 174.076 176.600 0.197 0.000 1.141 274 E CA -1.575 54.899 56.400 0.124 0.000 1.340 274 E CB 0.824 30.568 29.700 0.072 0.000 1.295 274 E HN 0.442 nan 8.360 nan 0.000 0.434 275 P HA 0.051 nan 4.420 nan 0.000 0.276 275 P C 0.248 177.763 177.300 0.358 0.000 1.230 275 P CA 0.219 63.557 63.100 0.398 0.000 0.776 275 P CB 2.058 33.899 31.700 0.234 0.000 0.888 276 G N 2.968 111.993 108.800 0.374 0.000 2.621 276 G HA2 -0.021 3.943 3.960 0.005 0.000 0.209 276 G HA3 -0.021 3.943 3.960 0.005 0.000 0.209 276 G C 1.453 176.559 174.900 0.342 0.000 1.379 276 G CA -0.036 45.202 45.100 0.230 0.000 0.766 276 G HN 0.429 nan 8.290 nan 0.000 0.599 277 R N -0.669 120.021 120.500 0.317 0.000 2.119 277 R HA -0.205 4.138 4.340 0.005 0.000 0.246 277 R C 2.212 178.668 176.300 0.261 0.000 1.146 277 R CA 2.029 58.292 56.100 0.271 0.000 0.962 277 R CB -0.630 29.899 30.300 0.381 0.000 0.863 277 R HN 0.404 nan 8.270 nan 0.000 0.442 278 Y N 0.022 120.462 120.300 0.233 0.000 2.139 278 Y HA -0.326 4.226 4.550 0.004 0.000 0.282 278 Y C 1.650 177.511 175.900 -0.065 0.000 1.179 278 Y CA 2.105 60.242 58.100 0.061 0.000 1.161 278 Y CB -0.544 37.914 38.460 -0.003 0.000 0.970 278 Y HN 0.145 nan 8.280 nan 0.000 0.511 279 Y N -1.086 119.215 120.300 0.002 0.000 2.314 279 Y HA -0.095 4.458 4.550 0.005 0.000 0.293 279 Y C 2.398 178.207 175.900 -0.150 0.000 1.129 279 Y CA 1.834 59.847 58.100 -0.146 0.000 1.201 279 Y CB 0.020 38.439 38.460 -0.069 0.000 0.999 279 Y HN 0.183 nan 8.280 nan 0.000 0.541 280 V N -5.001 114.967 119.914 0.091 0.000 3.539 280 V HA 0.423 4.547 4.120 0.005 0.000 0.262 280 V C 1.949 178.091 176.094 0.081 0.000 1.381 280 V CA 0.494 62.848 62.300 0.091 0.000 1.060 280 V CB -0.463 31.395 31.823 0.058 0.000 0.842 280 V HN 0.069 nan 8.190 nan 0.000 0.445 281 A N 2.638 125.482 122.820 0.039 0.000 1.873 281 A HA -0.204 4.119 4.320 0.005 0.000 0.218 281 A C 2.487 180.137 177.584 0.110 0.000 1.193 281 A CA 3.106 55.178 52.037 0.059 0.000 0.629 281 A CB -1.151 17.896 19.000 0.079 0.000 0.826 281 A HN 1.085 nan 8.150 nan 0.000 0.447 282 S N -0.400 115.345 115.700 0.075 0.000 2.489 282 S HA 0.268 4.741 4.470 0.005 0.000 0.228 282 S C 1.881 176.549 174.600 0.114 0.000 0.995 282 S CA 0.980 59.231 58.200 0.084 0.000 0.934 282 S CB -0.380 62.837 63.200 0.030 0.000 0.771 282 S HN 0.880 nan 8.310 nan 0.000 0.522 283 A N 0.742 123.656 122.820 0.156 0.000 2.015 283 A HA 0.283 4.606 4.320 0.005 0.000 0.219 283 A C 0.399 178.062 177.584 0.132 0.000 1.163 283 A CA 0.489 52.615 52.037 0.148 0.000 0.646 283 A CB -0.516 18.593 19.000 0.182 0.000 0.806 283 A HN 0.503 nan 8.150 nan 0.000 0.448 284 F N 0.197 120.172 119.950 0.041 0.000 2.415 284 F HA 0.462 4.993 4.527 0.005 0.000 0.348 284 F C 0.259 176.160 175.800 0.167 0.000 1.119 284 F CA -0.321 57.734 58.000 0.091 0.000 1.069 284 F CB 1.687 40.689 39.000 0.003 0.000 1.124 284 F HN -0.245 nan 8.300 nan 0.000 0.472 285 T N 5.072 119.802 114.554 0.292 0.000 2.807 285 T HA 0.495 4.848 4.350 0.005 0.000 0.279 285 T C -1.092 173.676 174.700 0.114 0.000 0.993 285 T CA -0.491 61.724 62.100 0.192 0.000 0.970 285 T CB 1.344 70.254 68.868 0.070 0.000 0.950 285 T HN 0.362 nan 8.240 nan 0.000 0.441 286 L N 3.619 124.835 121.223 -0.011 0.000 2.295 286 L HA 0.811 5.154 4.340 0.005 0.000 0.285 286 L C -0.352 176.398 176.870 -0.200 0.000 1.035 286 L CA -0.510 54.091 54.840 -0.398 0.000 0.806 286 L CB 0.633 42.372 42.059 -0.534 0.000 1.214 286 L HN 0.725 nan 8.230 nan 0.000 0.426 287 A N 5.738 128.314 122.820 -0.407 0.000 2.271 287 A HA 0.710 5.033 4.320 0.005 0.000 0.317 287 A C -0.754 176.901 177.584 0.117 0.000 1.245 287 A CA -0.269 51.641 52.037 -0.211 0.000 0.857 287 A CB 0.907 19.452 19.000 -0.758 0.000 1.175 287 A HN 1.023 nan 8.150 nan 0.000 0.512 288 V N 1.025 121.133 119.914 0.324 0.000 2.815 288 V HA 0.595 4.719 4.120 0.005 0.000 0.314 288 V C -0.160 175.973 176.094 0.065 0.000 1.064 288 V CA -1.129 61.317 62.300 0.243 0.000 0.952 288 V CB 1.893 33.858 31.823 0.237 0.000 1.020 288 V HN 0.851 nan 8.190 nan 0.000 0.439 289 N N 1.949 120.467 118.700 -0.303 0.000 2.443 289 N HA 0.479 5.222 4.740 0.005 0.000 0.295 289 N C -0.785 174.549 175.510 -0.294 0.000 1.076 289 N CA -0.709 51.937 53.050 -0.674 0.000 0.919 289 N CB 1.655 39.532 38.487 -1.017 0.000 1.176 289 N HN 0.778 nan 8.380 nan 0.000 0.487 290 I N 4.922 125.335 120.570 -0.260 0.000 2.421 290 I HA 0.014 4.187 4.170 0.005 0.000 0.291 290 I C 1.687 177.759 176.117 -0.074 0.000 1.089 290 I CA 0.032 61.270 61.300 -0.103 0.000 1.354 290 I CB 0.434 38.364 38.000 -0.117 0.000 1.413 290 I HN 0.580 nan 8.210 nan 0.000 0.513 291 I N 3.404 123.971 120.570 -0.004 0.000 3.462 291 I HA 0.524 4.697 4.170 0.005 0.000 0.290 291 I C 0.831 176.962 176.117 0.023 0.000 1.236 291 I CA 0.078 61.368 61.300 -0.017 0.000 1.418 291 I CB 0.235 38.213 38.000 -0.036 0.000 1.102 291 I HN 0.490 nan 8.210 nan 0.000 0.441 292 A N 0.994 123.879 122.820 0.109 0.000 2.609 292 A HA 0.800 5.123 4.320 0.005 0.000 0.291 292 A C -1.210 176.545 177.584 0.286 0.000 1.096 292 A CA -0.663 51.427 52.037 0.089 0.000 0.684 292 A CB 1.757 20.666 19.000 -0.150 0.000 1.282 292 A HN 0.177 nan 8.150 nan 0.000 0.412 293 K N 0.681 121.209 120.400 0.213 0.000 2.543 293 K HA 0.546 4.870 4.320 0.005 0.000 0.255 293 K C -1.736 174.955 176.600 0.153 0.000 0.934 293 K CA -0.456 55.983 56.287 0.253 0.000 0.810 293 K CB 1.681 34.331 32.500 0.251 0.000 1.315 293 K HN 0.707 nan 8.250 nan 0.000 0.433 294 K N 3.298 123.770 120.400 0.120 0.000 2.426 294 K HA 0.479 4.802 4.320 0.005 0.000 0.251 294 K C -1.156 175.423 176.600 -0.034 0.000 0.941 294 K CA -0.876 55.434 56.287 0.039 0.000 0.808 294 K CB 2.387 34.904 32.500 0.028 0.000 1.265 294 K HN 0.522 nan 8.250 nan 0.000 0.432 295 I N 2.252 122.758 120.570 -0.106 0.000 2.378 295 I HA 0.317 4.490 4.170 0.005 0.000 0.291 295 I C -1.337 174.618 176.117 -0.270 0.000 0.992 295 I CA -0.919 60.185 61.300 -0.327 0.000 1.154 295 I CB 1.163 38.973 38.000 -0.316 0.000 1.315 295 I HN 0.242 nan 8.210 nan 0.000 0.448 296 V N 8.182 127.902 119.914 -0.324 0.000 2.378 296 V HA 0.338 4.461 4.120 0.005 0.000 0.288 296 V C 0.433 176.404 176.094 -0.206 0.000 1.016 296 V CA -0.687 61.492 62.300 -0.202 0.000 0.840 296 V CB 1.285 33.026 31.823 -0.136 0.000 0.994 296 V HN 0.619 nan 8.190 nan 0.000 0.431 312 Q N 2.593 122.407 119.800 0.024 0.000 2.296 312 Q HA 0.383 4.726 4.340 0.005 0.000 0.257 312 Q C -0.904 174.988 176.000 -0.180 0.000 0.942 312 Q CA 0.010 55.725 55.803 -0.145 0.000 0.939 312 Q CB 1.042 29.698 28.738 -0.136 0.000 1.198 312 Q HN 0.362 nan 8.270 nan 0.000 0.429 313 T N 0.267 114.585 114.554 -0.393 0.000 2.916 313 T HA 0.716 5.070 4.350 0.005 0.000 0.292 313 T C -0.811 173.506 174.700 -0.638 0.000 1.055 313 T CA -0.622 61.303 62.100 -0.292 0.000 1.009 313 T CB 0.888 69.700 68.868 -0.094 0.000 1.118 313 T HN 0.348 nan 8.240 nan 0.000 0.497 314 F N 0.409 120.256 119.950 -0.171 0.000 2.563 314 F HA 0.675 5.206 4.527 0.006 0.000 0.316 314 F C 0.013 175.558 175.800 -0.425 0.000 1.076 314 F CA -1.199 56.568 58.000 -0.389 0.000 0.921 314 F CB 2.583 41.204 39.000 -0.631 0.000 1.209 314 F HN 0.415 nan 8.300 nan 0.000 0.462 315 M N 3.342 122.790 119.600 -0.254 0.000 2.181 315 M HA 0.434 4.917 4.480 0.005 0.000 0.323 315 M C -1.750 174.379 176.300 -0.285 0.000 1.004 315 M CA -0.607 54.595 55.300 -0.163 0.000 0.941 315 M CB 1.502 34.042 32.600 -0.101 0.000 1.579 315 M HN 0.406 nan 8.290 nan 0.000 0.427 316 Y N 1.879 122.245 120.300 0.110 0.000 2.352 316 Y HA 0.521 5.074 4.550 0.006 0.000 0.339 316 Y C -0.942 174.966 175.900 0.012 0.000 0.992 316 Y CA -0.907 57.248 58.100 0.092 0.000 1.100 316 Y CB 1.087 39.574 38.460 0.045 0.000 1.192 316 Y HN 0.434 nan 8.280 nan 0.000 0.458 317 Y N 2.132 122.588 120.300 0.260 0.000 2.341 317 Y HA 0.597 5.150 4.550 0.005 0.000 0.337 317 Y C 0.144 176.101 175.900 0.095 0.000 1.014 317 Y CA -1.222 56.984 58.100 0.176 0.000 1.111 317 Y CB 1.397 39.903 38.460 0.078 0.000 1.194 317 Y HN 0.421 nan 8.280 nan 0.000 0.462 318 V N -0.308 119.712 119.914 0.176 0.000 3.113 318 V HA 0.564 4.687 4.120 0.005 0.000 0.316 318 V C -0.096 176.007 176.094 0.015 0.000 1.125 318 V CA -1.157 61.188 62.300 0.074 0.000 1.026 318 V CB 2.178 34.047 31.823 0.077 0.000 1.080 318 V HN 0.784 nan 8.190 nan 0.000 0.444 319 N N -0.194 118.491 118.700 -0.025 0.000 2.327 319 N HA 0.281 5.024 4.740 0.005 0.000 0.231 319 N C -0.588 174.900 175.510 -0.037 0.000 1.130 319 N CA -0.070 52.922 53.050 -0.096 0.000 0.845 319 N CB -0.068 38.364 38.487 -0.093 0.000 1.073 319 N HN 0.825 nan 8.380 nan 0.000 0.496 320 D N -1.476 118.958 120.400 0.057 0.000 2.753 320 D HA 0.710 5.353 4.640 0.005 0.000 0.224 320 D C -0.605 175.853 176.300 0.263 0.000 1.213 320 D CA -0.423 53.667 54.000 0.149 0.000 0.833 320 D CB 2.165 43.057 40.800 0.153 0.000 1.607 320 D HN 0.195 nan 8.370 nan 0.000 0.463 321 G N -0.113 108.881 108.800 0.324 0.000 2.815 321 G HA2 0.326 4.289 3.960 0.005 0.000 0.305 321 G HA3 0.326 4.289 3.960 0.005 0.000 0.305 321 G C 0.481 175.596 174.900 0.358 0.000 1.277 321 G CA -0.170 45.124 45.100 0.324 0.000 0.795 321 G HN 0.303 nan 8.290 nan 0.000 0.528 322 V N -0.253 119.802 119.914 0.234 0.000 2.720 322 V HA -0.098 4.025 4.120 0.005 0.000 0.256 322 V C 2.026 178.145 176.094 0.043 0.000 1.082 322 V CA 1.501 63.865 62.300 0.107 0.000 1.101 322 V CB -0.971 30.822 31.823 -0.050 0.000 0.693 322 V HN 0.564 nan 8.190 nan 0.000 0.479 323 Y N 0.706 121.132 120.300 0.210 0.000 2.475 323 Y HA 0.290 4.843 4.550 0.005 0.000 0.289 323 Y C 2.025 178.049 175.900 0.206 0.000 1.121 323 Y CA 0.702 58.934 58.100 0.219 0.000 1.257 323 Y CB -0.201 38.457 38.460 0.330 0.000 1.026 323 Y HN 0.296 nan 8.280 nan 0.000 0.555 324 G N -1.226 107.775 108.800 0.334 0.000 3.365 324 G HA2 0.030 3.993 3.960 0.005 0.000 0.185 324 G HA3 0.030 3.993 3.960 0.005 0.000 0.185 324 G C 1.325 176.300 174.900 0.124 0.000 1.565 324 G CA 0.272 45.509 45.100 0.228 0.000 0.984 324 G HN 0.090 nan 8.290 nan 0.000 0.604 325 S N 0.249 115.963 115.700 0.023 0.000 2.419 325 S HA -0.044 4.430 4.470 0.005 0.000 0.233 325 S C 1.626 176.067 174.600 -0.266 0.000 1.016 325 S CA 1.076 59.184 58.200 -0.154 0.000 0.974 325 S CB -0.303 62.715 63.200 -0.304 0.000 0.786 325 S HN 0.326 nan 8.310 nan 0.000 0.492 326 F N 2.599 122.548 119.950 -0.002 0.000 2.731 326 F HA 0.152 4.682 4.527 0.005 0.000 0.304 326 F C 1.678 177.460 175.800 -0.029 0.000 1.133 326 F CA -0.397 57.569 58.000 -0.057 0.000 1.380 326 F CB -1.053 37.867 39.000 -0.135 0.000 1.079 326 F HN 0.262 nan 8.300 nan 0.000 0.550 327 N N 0.579 119.359 118.700 0.134 0.000 2.258 327 N HA -0.274 4.469 4.740 0.005 0.000 0.187 327 N C 1.839 177.437 175.510 0.147 0.000 1.012 327 N CA 1.657 54.793 53.050 0.143 0.000 0.870 327 N CB -1.093 37.520 38.487 0.210 0.000 0.977 327 N HN 0.400 nan 8.380 nan 0.000 0.434 328 C N -0.885 118.477 119.300 0.103 0.000 2.403 328 C HA 0.030 4.493 4.460 0.005 0.000 0.282 328 C C 2.387 177.381 174.990 0.007 0.000 1.297 328 C CA -0.028 59.032 59.018 0.070 0.000 1.785 328 C CB -1.728 26.051 27.740 0.065 0.000 1.963 328 C HN 0.536 nan 8.230 nan 0.000 0.507 329 I N 0.213 120.795 120.570 0.019 0.000 2.286 329 I HA -0.142 4.031 4.170 0.005 0.000 0.248 329 I C 2.601 178.647 176.117 -0.119 0.000 1.115 329 I CA 1.379 62.656 61.300 -0.038 0.000 1.392 329 I CB -0.240 37.750 38.000 -0.017 0.000 1.065 329 I HN 0.267 nan 8.210 nan 0.000 0.418 330 L N -1.121 120.001 121.223 -0.168 0.000 2.130 330 L HA -0.078 4.265 4.340 0.005 0.000 0.200 330 L C 2.129 178.739 176.870 -0.433 0.000 1.075 330 L CA 1.727 56.379 54.840 -0.313 0.000 0.768 330 L CB -0.838 40.950 42.059 -0.451 0.000 0.933 330 L HN 0.096 nan 8.230 nan 0.000 0.451 331 Y N -1.384 118.767 120.300 -0.248 0.000 2.420 331 Y HA -0.053 4.500 4.550 0.005 0.000 0.292 331 Y C 1.812 177.435 175.900 -0.461 0.000 1.119 331 Y CA 0.988 58.907 58.100 -0.300 0.000 1.229 331 Y CB 0.006 38.361 38.460 -0.176 0.000 1.026 331 Y HN 0.179 nan 8.280 nan 0.000 0.554 332 D N -1.974 118.273 120.400 -0.255 0.000 2.431 332 D HA 0.037 4.680 4.640 0.005 0.000 0.213 332 D C -0.203 175.953 176.300 -0.239 0.000 1.130 332 D CA 0.203 54.054 54.000 -0.248 0.000 0.834 332 D CB -0.123 40.644 40.800 -0.055 0.000 0.985 332 D HN 0.182 nan 8.370 nan 0.000 0.504 333 H N -1.174 117.839 119.070 -0.095 0.000 2.741 333 H HA -0.189 4.370 4.556 0.005 0.000 0.305 333 H C 0.175 175.296 175.328 -0.345 0.000 1.169 333 H CA 0.798 56.736 56.048 -0.184 0.000 1.144 333 H CB -2.322 27.360 29.762 -0.133 0.000 1.397 333 H HN 0.291 nan 8.280 nan 0.000 0.409 334 A N 1.271 123.986 122.820 -0.176 0.000 2.407 334 A HA 0.346 4.670 4.320 0.005 0.000 0.248 334 A C 0.321 177.748 177.584 -0.261 0.000 1.082 334 A CA -0.223 51.725 52.037 -0.148 0.000 0.785 334 A CB 0.462 19.471 19.000 0.016 0.000 1.020 334 A HN 0.410 nan 8.150 nan 0.000 0.489 335 H N 2.037 121.179 119.070 0.121 0.000 2.673 335 H HA 0.370 4.929 4.556 0.005 0.000 0.293 335 H C -0.033 175.381 175.328 0.143 0.000 1.065 335 H CA -0.363 55.749 56.048 0.107 0.000 1.236 335 H CB 0.722 30.537 29.762 0.089 0.000 1.389 335 H HN 0.567 nan 8.280 nan 0.000 0.481 336 V N 1.191 121.259 119.914 0.257 0.000 2.686 336 V HA 0.476 4.599 4.120 0.005 0.000 0.295 336 V C 0.117 176.408 176.094 0.329 0.000 1.057 336 V CA -0.724 61.774 62.300 0.330 0.000 1.012 336 V CB 1.582 33.627 31.823 0.371 0.000 1.006 336 V HN 0.526 nan 8.190 nan 0.000 0.477 337 K N 4.829 125.443 120.400 0.357 0.000 2.559 337 K HA 0.482 4.805 4.320 0.005 0.000 0.249 337 K C -2.836 173.752 176.600 -0.019 0.000 0.958 337 K CA -1.606 54.785 56.287 0.172 0.000 0.901 337 K CB 2.003 34.572 32.500 0.116 0.000 1.124 337 K HN 0.612 nan 8.250 nan 0.000 0.437 338 P HA 0.132 nan 4.420 nan 0.000 0.276 338 P C -0.950 176.116 177.300 -0.390 0.000 1.230 338 P CA -0.505 62.225 63.100 -0.616 0.000 0.776 338 P CB 0.742 32.276 31.700 -0.276 0.000 0.888 339 L N 4.060 125.002 121.223 -0.469 0.000 2.365 339 L HA 0.342 4.685 4.340 0.005 0.000 0.273 339 L C -0.114 176.638 176.870 -0.198 0.000 1.000 339 L CA -1.015 53.679 54.840 -0.242 0.000 0.819 339 L CB 1.275 43.224 42.059 -0.184 0.000 1.284 339 L HN 0.219 nan 8.230 nan 0.000 0.418 340 L N 3.395 124.545 121.223 -0.121 0.000 2.410 340 L HA 0.172 4.515 4.340 0.005 0.000 0.273 340 L C 1.498 178.339 176.870 -0.049 0.000 1.144 340 L CA 0.706 55.494 54.840 -0.088 0.000 0.863 340 L CB 0.478 42.499 42.059 -0.063 0.000 1.140 340 L HN 0.714 nan 8.230 nan 0.000 0.463 341 Q N 3.017 122.807 119.800 -0.017 0.000 2.096 341 Q HA -0.084 4.260 4.340 0.005 0.000 0.197 341 Q C 0.479 176.486 176.000 0.012 0.000 0.964 341 Q CA 0.980 56.788 55.803 0.008 0.000 0.838 341 Q CB 0.337 29.116 28.738 0.068 0.000 0.906 341 Q HN 0.549 nan 8.270 nan 0.000 0.444 342 K N 1.411 121.827 120.400 0.025 0.000 2.276 342 K HA 0.136 4.459 4.320 0.005 0.000 0.285 342 K C -0.626 175.982 176.600 0.013 0.000 1.062 342 K CA -0.276 56.025 56.287 0.024 0.000 0.918 342 K CB 0.579 33.102 32.500 0.038 0.000 1.055 342 K HN 0.003 nan 8.250 nan 0.000 0.477 343 R N 4.567 125.077 120.500 0.016 0.000 2.538 343 R HA 0.036 4.379 4.340 0.005 0.000 0.282 343 R C -1.892 174.430 176.300 0.037 0.000 1.009 343 R CA -1.051 55.062 56.100 0.022 0.000 1.063 343 R CB 0.002 30.313 30.300 0.019 0.000 0.945 343 R HN 0.564 nan 8.270 nan 0.000 0.414 344 P HA 0.112 nan 4.420 nan 0.000 0.274 344 P C -1.013 176.338 177.300 0.084 0.000 1.231 344 P CA -0.438 62.719 63.100 0.094 0.000 0.790 344 P CB 0.692 32.507 31.700 0.191 0.000 0.951 345 K N 3.297 123.749 120.400 0.086 0.000 2.451 345 K HA 0.059 4.382 4.320 0.005 0.000 0.280 345 K C -1.485 175.147 176.600 0.053 0.000 1.020 345 K CA -0.697 55.628 56.287 0.064 0.000 1.008 345 K CB -0.573 31.967 32.500 0.066 0.000 0.917 345 K HN 0.309 nan 8.250 nan 0.000 0.478 346 P HA -0.200 nan 4.420 nan 0.000 0.221 346 P C 0.079 177.366 177.300 -0.021 0.000 1.145 346 P CA 1.312 64.410 63.100 -0.004 0.000 0.795 346 P CB 0.191 31.888 31.700 -0.005 0.000 0.775 347 D N -1.596 118.805 120.400 0.000 0.000 2.449 347 D HA -0.017 4.626 4.640 0.005 0.000 0.210 347 D C 0.443 176.745 176.300 0.003 0.000 1.094 347 D CA 0.023 54.019 54.000 -0.007 0.000 0.846 347 D CB 0.006 40.810 40.800 0.006 0.000 1.003 347 D HN 0.300 nan 8.370 nan 0.000 0.504 348 E N 1.335 121.559 120.200 0.040 0.000 2.318 348 E HA 0.228 4.581 4.350 0.005 0.000 0.265 348 E C -0.311 176.346 176.600 0.096 0.000 1.069 348 E CA -0.887 55.563 56.400 0.085 0.000 0.893 348 E CB 1.630 31.409 29.700 0.130 0.000 1.076 348 E HN -0.179 nan 8.360 nan 0.000 0.414 349 K N 1.563 122.007 120.400 0.073 0.000 2.326 349 K HA 0.081 4.404 4.320 0.005 0.000 0.275 349 K C -1.210 175.398 176.600 0.014 0.000 1.018 349 K CA -0.257 55.988 56.287 -0.070 0.000 0.962 349 K CB 0.387 32.745 32.500 -0.237 0.000 0.953 349 K HN 0.372 nan 8.250 nan 0.000 0.475 350 Y N 2.547 122.639 120.300 -0.346 0.000 2.387 350 Y HA 0.306 4.859 4.550 0.005 0.000 0.330 350 Y C -0.638 175.009 175.900 -0.421 0.000 1.133 350 Y CA -0.741 57.208 58.100 -0.252 0.000 1.152 350 Y CB 1.023 39.429 38.460 -0.090 0.000 1.215 350 Y HN 0.434 nan 8.280 nan 0.000 0.466 351 Y N -0.732 119.693 120.300 0.209 0.000 2.536 351 Y HA 0.357 4.910 4.550 0.005 0.000 0.347 351 Y C 0.261 176.273 175.900 0.188 0.000 1.000 351 Y CA -1.271 56.969 58.100 0.233 0.000 1.051 351 Y CB 1.793 40.499 38.460 0.411 0.000 1.259 351 Y HN 0.438 nan 8.280 nan 0.000 0.468 352 S N 1.633 117.511 115.700 0.297 0.000 2.525 352 S HA 0.419 4.892 4.470 0.005 0.000 0.285 352 S C -0.548 174.173 174.600 0.203 0.000 1.283 352 S CA -0.025 58.290 58.200 0.192 0.000 1.072 352 S CB -0.256 63.018 63.200 0.123 0.000 0.867 352 S HN 0.617 nan 8.310 nan 0.000 0.492 353 S N 2.834 118.630 115.700 0.160 0.000 2.564 353 S HA 0.675 5.148 4.470 0.005 0.000 0.274 353 S C -1.008 173.640 174.600 0.080 0.000 1.124 353 S CA -0.942 57.349 58.200 0.151 0.000 0.869 353 S CB 2.031 65.389 63.200 0.264 0.000 1.105 353 S HN 0.864 nan 8.310 nan 0.000 0.472 354 S N 0.977 116.709 115.700 0.054 0.000 2.566 354 S HA 0.840 5.313 4.470 0.005 0.000 0.298 354 S C -0.923 173.642 174.600 -0.058 0.000 1.083 354 S CA -0.799 57.369 58.200 -0.053 0.000 0.978 354 S CB 0.734 63.913 63.200 -0.034 0.000 1.073 354 S HN 0.593 nan 8.310 nan 0.000 0.491 355 I N 1.457 121.860 120.570 -0.279 0.000 2.436 355 I HA 0.511 4.684 4.170 0.005 0.000 0.289 355 I C -1.422 174.416 176.117 -0.465 0.000 1.010 355 I CA -0.460 60.736 61.300 -0.174 0.000 1.098 355 I CB 1.472 39.443 38.000 -0.049 0.000 1.266 355 I HN 0.669 nan 8.210 nan 0.000 0.434 356 W N 3.569 124.719 121.300 -0.250 0.000 2.761 356 W HA 0.701 5.364 4.660 0.005 0.000 0.340 356 W C 0.572 177.019 176.519 -0.121 0.000 1.072 356 W CA -0.552 56.645 57.345 -0.246 0.000 1.215 356 W CB 1.558 30.721 29.460 -0.493 0.000 1.420 356 W HN 0.486 nan 8.180 nan 0.000 0.519 357 G N 1.769 110.679 108.800 0.183 0.000 2.616 357 G HA2 0.325 4.288 3.960 0.005 0.000 0.268 357 G HA3 0.325 4.288 3.960 0.005 0.000 0.268 357 G C -1.720 173.302 174.900 0.204 0.000 1.213 357 G CA -0.942 44.253 45.100 0.159 0.000 0.926 357 G HN 0.332 nan 8.290 nan 0.000 0.523 358 P HA 0.046 nan 4.420 nan 0.000 0.245 358 P C 1.078 178.394 177.300 0.027 0.000 1.206 358 P CA 0.530 63.542 63.100 -0.148 0.000 0.781 358 P CB -0.061 31.180 31.700 -0.765 0.000 0.994 359 T N -1.865 112.822 114.554 0.221 0.000 2.788 359 T HA 0.110 4.463 4.350 0.005 0.000 0.280 359 T C 1.683 176.522 174.700 0.233 0.000 0.984 359 T CA -0.197 62.087 62.100 0.306 0.000 0.972 359 T CB 0.161 69.214 68.868 0.308 0.000 1.039 359 T HN 0.209 nan 8.240 nan 0.000 0.530 360 C N -0.983 118.402 119.300 0.142 0.000 2.419 360 C HA 0.084 4.548 4.460 0.005 0.000 0.283 360 C C 0.886 175.988 174.990 0.188 0.000 1.373 360 C CA -0.087 58.999 59.018 0.114 0.000 1.781 360 C CB -1.532 26.229 27.740 0.035 0.000 1.886 360 C HN 0.842 nan 8.230 nan 0.000 0.520 361 D N 0.830 121.410 120.400 0.301 0.000 2.277 361 D HA 0.387 5.030 4.640 0.005 0.000 0.249 361 D C 1.371 177.865 176.300 0.322 0.000 1.134 361 D CA 0.603 54.808 54.000 0.341 0.000 0.863 361 D CB 1.516 42.631 40.800 0.525 0.000 1.143 361 D HN 0.296 nan 8.370 nan 0.000 0.458 362 G N 3.020 111.974 108.800 0.258 0.000 2.470 362 G HA2 -0.217 3.746 3.960 0.005 0.000 0.220 362 G HA3 -0.217 3.746 3.960 0.005 0.000 0.220 362 G C 1.308 176.414 174.900 0.342 0.000 1.121 362 G CA 0.152 45.432 45.100 0.299 0.000 0.766 362 G HN 0.481 nan 8.290 nan 0.000 0.553 363 L N 0.592 121.964 121.223 0.248 0.000 2.291 363 L HA 0.156 4.499 4.340 0.005 0.000 0.214 363 L C 0.877 177.830 176.870 0.139 0.000 1.120 363 L CA 0.620 55.550 54.840 0.150 0.000 0.799 363 L CB -0.060 42.054 42.059 0.092 0.000 0.925 363 L HN 0.044 nan 8.230 nan 0.000 0.446 364 D N 1.018 121.583 120.400 0.275 0.000 2.600 364 D HA 0.032 4.676 4.640 0.005 0.000 0.226 364 D C -0.090 176.336 176.300 0.211 0.000 1.119 364 D CA 0.109 54.268 54.000 0.265 0.000 1.051 364 D CB -0.239 40.823 40.800 0.436 0.000 1.106 364 D HN 0.115 nan 8.370 nan 0.000 0.491 365 R N 2.934 123.402 120.500 -0.053 0.000 2.561 365 R HA 0.374 4.717 4.340 0.005 0.000 0.297 365 R C 0.537 176.600 176.300 -0.396 0.000 0.969 365 R CA -0.604 55.236 56.100 -0.435 0.000 0.879 365 R CB 0.943 30.734 30.300 -0.849 0.000 1.178 365 R HN 0.178 nan 8.270 nan 0.000 0.445 366 I N 2.764 123.048 120.570 -0.477 0.000 2.810 366 I HA 0.098 4.271 4.170 0.005 0.000 0.262 366 I C -0.117 175.773 176.117 -0.379 0.000 1.131 366 I CA 0.375 61.375 61.300 -0.499 0.000 1.453 366 I CB 0.808 38.321 38.000 -0.812 0.000 1.161 366 I HN 0.207 nan 8.210 nan 0.000 0.444 367 V N 1.009 120.699 119.914 -0.373 0.000 2.524 367 V HA 0.125 4.248 4.120 0.005 0.000 0.297 367 V C 0.751 176.659 176.094 -0.311 0.000 1.035 367 V CA -0.611 61.548 62.300 -0.235 0.000 0.867 367 V CB 1.868 33.630 31.823 -0.103 0.000 1.004 367 V HN 0.178 nan 8.190 nan 0.000 0.426 368 E N 4.073 124.128 120.200 -0.241 0.000 2.072 368 E HA -0.016 4.337 4.350 0.005 0.000 0.191 368 E C 0.921 177.441 176.600 -0.134 0.000 0.985 368 E CA 0.780 57.041 56.400 -0.232 0.000 0.801 368 E CB 0.379 29.992 29.700 -0.145 0.000 0.750 368 E HN 0.538 nan 8.360 nan 0.000 0.452 369 R N -0.052 120.404 120.500 -0.073 0.000 2.522 369 R HA 0.272 4.615 4.340 0.005 0.000 0.273 369 R C -1.628 174.676 176.300 0.006 0.000 1.133 369 R CA -0.351 55.739 56.100 -0.018 0.000 0.969 369 R CB 1.093 31.392 30.300 -0.002 0.000 1.235 369 R HN 0.328 nan 8.270 nan 0.000 0.433 370 C N 0.056 119.376 119.300 0.034 0.000 3.323 370 C HA 0.665 5.128 4.460 0.005 0.000 0.324 370 C C -1.223 173.817 174.990 0.084 0.000 1.428 370 C CA -0.966 58.083 59.018 0.052 0.000 1.368 370 C CB 2.054 29.818 27.740 0.040 0.000 1.731 370 C HN 0.708 nan 8.230 nan 0.000 0.455 371 D N 1.414 121.873 120.400 0.098 0.000 2.256 371 D HA 0.736 5.379 4.640 0.005 0.000 0.240 371 D C -0.670 175.631 176.300 0.002 0.000 1.062 371 D CA 0.234 54.316 54.000 0.136 0.000 0.832 371 D CB 1.743 42.684 40.800 0.236 0.000 1.135 371 D HN 0.577 nan 8.370 nan 0.000 0.484 372 L N 2.613 123.746 121.223 -0.149 0.000 2.376 372 L HA 0.437 4.781 4.340 0.005 0.000 0.258 372 L C -2.396 174.095 176.870 -0.631 0.000 1.013 372 L CA -2.042 52.502 54.840 -0.492 0.000 0.822 372 L CB 3.062 45.010 42.059 -0.184 0.000 1.388 372 L HN 0.079 nan 8.230 nan 0.000 0.413 373 P HA -0.010 nan 4.420 nan 0.000 0.272 373 P C -0.934 176.281 177.300 -0.143 0.000 1.240 373 P CA -0.284 62.625 63.100 -0.319 0.000 0.791 373 P CB 0.546 32.114 31.700 -0.220 0.000 0.978 374 E N 1.149 121.332 120.200 -0.029 0.000 2.351 374 E HA 0.100 4.453 4.350 0.005 0.000 0.266 374 E C -0.399 175.887 176.600 -0.522 0.000 1.031 374 E CA 0.124 56.254 56.400 -0.450 0.000 0.911 374 E CB 0.014 29.415 29.700 -0.498 0.000 0.986 374 E HN 0.281 nan 8.360 nan 0.000 0.446 375 M N 3.185 122.384 119.600 -0.669 0.000 2.762 375 M HA 0.431 4.914 4.480 0.005 0.000 0.306 375 M C -0.365 175.465 176.300 -0.783 0.000 1.223 375 M CA -0.835 54.050 55.300 -0.691 0.000 0.896 375 M CB 1.852 33.949 32.600 -0.838 0.000 1.684 375 M HN 0.502 nan 8.290 nan 0.000 0.491 376 H N -0.525 118.449 119.070 -0.161 0.000 2.821 376 H HA 0.356 4.915 4.556 0.005 0.000 0.373 376 H C -1.097 174.195 175.328 -0.060 0.000 1.165 376 H CA -0.832 55.183 56.048 -0.055 0.000 1.154 376 H CB 1.707 31.445 29.762 -0.040 0.000 1.765 376 H HN 0.344 nan 8.280 nan 0.000 0.549 377 V N 1.454 121.431 119.914 0.104 0.000 2.644 377 V HA 0.062 4.185 4.120 0.005 0.000 0.305 377 V C 1.420 177.505 176.094 -0.015 0.000 1.053 377 V CA 2.117 64.435 62.300 0.030 0.000 1.186 377 V CB 0.365 32.212 31.823 0.041 0.000 0.895 377 V HN 1.214 nan 8.190 nan 0.000 0.490 378 G N 3.766 112.502 108.800 -0.106 0.000 2.232 378 G HA2 -0.182 3.781 3.960 0.005 0.000 0.226 378 G HA3 -0.182 3.781 3.960 0.005 0.000 0.226 378 G C -0.043 174.734 174.900 -0.204 0.000 0.996 378 G CA 0.011 45.017 45.100 -0.156 0.000 0.626 378 G HN 0.672 nan 8.290 nan 0.000 0.509 379 D N 0.183 120.503 120.400 -0.135 0.000 2.399 379 D HA 0.427 5.070 4.640 0.005 0.000 0.241 379 D C 0.231 176.412 176.300 -0.199 0.000 1.133 379 D CA 0.228 54.178 54.000 -0.082 0.000 0.890 379 D CB 0.401 41.157 40.800 -0.073 0.000 1.201 379 D HN 0.333 nan 8.370 nan 0.000 0.432 380 W N 1.059 122.341 121.300 -0.031 0.000 2.496 380 W HA 0.446 5.110 4.660 0.006 0.000 0.327 380 W C 0.318 176.790 176.519 -0.077 0.000 1.086 380 W CA -0.653 56.675 57.345 -0.029 0.000 1.222 380 W CB 0.737 30.194 29.460 -0.005 0.000 1.304 380 W HN -0.050 nan 8.180 nan 0.000 0.547 381 M N 3.617 123.313 119.600 0.160 0.000 2.456 381 M HA 0.524 5.007 4.480 0.005 0.000 0.324 381 M C -0.768 175.539 176.300 0.013 0.000 1.124 381 M CA -0.848 54.456 55.300 0.006 0.000 0.959 381 M CB 1.605 34.190 32.600 -0.025 0.000 1.692 381 M HN 0.149 nan 8.290 nan 0.000 0.444 382 L N 2.010 123.117 121.223 -0.193 0.000 2.334 382 L HA 0.643 4.986 4.340 0.005 0.000 0.276 382 L C -1.414 175.206 176.870 -0.416 0.000 1.014 382 L CA -0.546 54.198 54.840 -0.160 0.000 0.815 382 L CB 1.417 43.412 42.059 -0.108 0.000 1.268 382 L HN 0.574 nan 8.230 nan 0.000 0.428 383 F N 0.540 120.522 119.950 0.053 0.000 2.577 383 F HA 0.365 4.895 4.527 0.005 0.000 0.344 383 F C 0.383 176.231 175.800 0.080 0.000 1.145 383 F CA -0.605 57.458 58.000 0.104 0.000 0.996 383 F CB 1.473 40.597 39.000 0.206 0.000 1.248 383 F HN 0.449 nan 8.300 nan 0.000 0.447 384 E N 1.312 121.624 120.200 0.187 0.000 2.342 384 E HA 0.251 4.604 4.350 0.005 0.000 0.257 384 E C -0.173 176.542 176.600 0.193 0.000 1.150 384 E CA -0.608 55.887 56.400 0.158 0.000 0.926 384 E CB 0.366 30.124 29.700 0.097 0.000 1.074 384 E HN 0.625 nan 8.360 nan 0.000 0.449 385 N N 0.419 119.222 118.700 0.172 0.000 2.740 385 N HA -0.180 4.563 4.740 0.005 0.000 0.248 385 N C -0.343 175.268 175.510 0.168 0.000 1.062 385 N CA 0.042 53.188 53.050 0.160 0.000 0.704 385 N CB -0.398 38.174 38.487 0.142 0.000 0.968 385 N HN 0.330 nan 8.380 nan 0.000 0.547 386 M N -0.572 119.152 119.600 0.208 0.000 2.655 386 M HA 0.209 4.692 4.480 0.005 0.000 0.311 386 M C 1.684 178.018 176.300 0.058 0.000 1.229 386 M CA 0.282 55.690 55.300 0.180 0.000 0.972 386 M CB 0.194 32.956 32.600 0.269 0.000 1.366 386 M HN 0.386 nan 8.290 nan 0.000 0.500 387 G N 0.228 109.008 108.800 -0.033 0.000 2.603 387 G HA2 0.298 4.261 3.960 0.005 0.000 0.214 387 G HA3 0.298 4.261 3.960 0.005 0.000 0.214 387 G C 0.496 175.128 174.900 -0.446 0.000 1.140 387 G CA 0.158 44.996 45.100 -0.437 0.000 0.800 387 G HN 0.493 nan 8.290 nan 0.000 0.533 388 A N -0.292 122.397 122.820 -0.218 0.000 2.276 388 A HA 0.615 4.939 4.320 0.005 0.000 0.316 388 A C -0.244 177.230 177.584 -0.183 0.000 1.229 388 A CA -0.774 51.094 52.037 -0.281 0.000 0.851 388 A CB 0.129 19.083 19.000 -0.077 0.000 1.165 388 A HN 0.679 nan 8.150 nan 0.000 0.513 389 Y N 1.161 121.408 120.300 -0.088 0.000 3.389 389 Y HA -0.314 4.239 4.550 0.005 0.000 0.213 389 Y C 1.483 177.330 175.900 -0.089 0.000 1.272 389 Y CA 1.166 59.218 58.100 -0.080 0.000 1.444 389 Y CB -2.559 35.875 38.460 -0.044 0.000 1.445 389 Y HN 0.956 nan 8.280 nan 0.000 0.583 390 T N -5.214 109.293 114.554 -0.078 0.000 3.479 390 T HA 0.156 4.510 4.350 0.005 0.000 0.197 390 T C 1.638 176.280 174.700 -0.096 0.000 0.912 390 T CA 0.640 62.689 62.100 -0.086 0.000 1.281 390 T CB -0.816 67.978 68.868 -0.123 0.000 1.588 390 T HN 0.427 nan 8.240 nan 0.000 0.389 391 V N 1.679 121.487 119.914 -0.176 0.000 2.469 391 V HA 0.076 4.200 4.120 0.005 0.000 0.251 391 V C 2.822 178.855 176.094 -0.103 0.000 1.064 391 V CA 1.801 64.022 62.300 -0.132 0.000 1.066 391 V CB -1.912 29.770 31.823 -0.235 0.000 0.667 391 V HN 0.731 nan 8.190 nan 0.000 0.461 392 A N 0.367 123.104 122.820 -0.139 0.000 2.070 392 A HA 0.293 4.616 4.320 0.005 0.000 0.220 392 A C 2.153 179.696 177.584 -0.069 0.000 1.159 392 A CA 1.933 53.907 52.037 -0.104 0.000 0.656 392 A CB -0.595 18.327 19.000 -0.130 0.000 0.800 392 A HN 1.280 nan 8.150 nan 0.000 0.453 393 A N -1.614 121.171 122.820 -0.059 0.000 2.589 393 A HA 0.692 5.015 4.320 0.005 0.000 0.283 393 A C 0.842 178.412 177.584 -0.022 0.000 1.187 393 A CA 0.524 52.512 52.037 -0.082 0.000 0.957 393 A CB -0.454 18.448 19.000 -0.162 0.000 1.175 393 A HN 0.869 nan 8.150 nan 0.000 0.532 394 A N 0.784 123.615 122.820 0.019 0.000 2.371 394 A HA 0.621 4.944 4.320 0.005 0.000 0.257 394 A C 0.746 178.395 177.584 0.108 0.000 1.089 394 A CA 0.471 52.558 52.037 0.083 0.000 0.794 394 A CB 0.164 19.217 19.000 0.089 0.000 1.029 394 A HN 1.154 nan 8.150 nan 0.000 0.488 395 S N -0.208 115.600 115.700 0.180 0.000 2.726 395 S HA 0.637 5.111 4.470 0.005 0.000 0.308 395 S C 0.334 175.071 174.600 0.228 0.000 1.115 395 S CA 0.188 58.505 58.200 0.196 0.000 0.965 395 S CB 1.319 64.665 63.200 0.243 0.000 1.145 395 S HN 1.302 nan 8.310 nan 0.000 0.532 396 T N -0.981 113.692 114.554 0.197 0.000 3.258 396 T HA 0.304 4.657 4.350 0.005 0.000 0.263 396 T C -0.070 174.730 174.700 0.167 0.000 0.983 396 T CA -0.518 61.688 62.100 0.177 0.000 0.907 396 T CB -1.014 67.917 68.868 0.104 0.000 1.096 396 T HN 0.485 nan 8.240 nan 0.000 0.556 397 F N 3.217 123.192 119.950 0.042 0.000 2.635 397 F HA 0.094 4.624 4.527 0.005 0.000 0.379 397 F C 1.176 176.907 175.800 -0.116 0.000 1.094 397 F CA 0.310 58.251 58.000 -0.099 0.000 1.300 397 F CB -0.411 38.389 39.000 -0.334 0.000 1.035 397 F HN 0.562 nan 8.300 nan 0.000 0.581 398 N N 2.476 120.680 118.700 -0.827 0.000 2.936 398 N HA -0.234 4.509 4.740 0.005 0.000 0.236 398 N C 0.954 176.013 175.510 -0.753 0.000 0.930 398 N CA 0.674 53.233 53.050 -0.817 0.000 0.966 398 N CB -1.355 36.718 38.487 -0.689 0.000 1.090 398 N HN 1.251 nan 8.380 nan 0.000 0.592 399 G N -0.204 108.321 108.800 -0.458 0.000 2.176 399 G HA2 -0.320 3.643 3.960 0.005 0.000 0.253 399 G HA3 -0.320 3.643 3.960 0.005 0.000 0.253 399 G C 0.047 174.764 174.900 -0.305 0.000 0.979 399 G CA 0.292 45.179 45.100 -0.355 0.000 0.641 399 G HN 0.390 nan 8.290 nan 0.000 0.530 400 F N 2.074 122.023 119.950 -0.001 0.000 2.506 400 F HA 0.395 4.926 4.527 0.005 0.000 0.371 400 F C 1.141 176.985 175.800 0.073 0.000 1.078 400 F CA -0.490 57.536 58.000 0.044 0.000 1.195 400 F CB 0.686 39.724 39.000 0.063 0.000 1.099 400 F HN 0.007 nan 8.300 nan 0.000 0.548 401 Q N 3.648 123.598 119.800 0.251 0.000 2.368 401 Q HA 0.249 4.592 4.340 0.005 0.000 0.237 401 Q C 0.207 176.323 176.000 0.195 0.000 0.987 401 Q CA -0.473 55.437 55.803 0.179 0.000 0.896 401 Q CB 0.720 29.541 28.738 0.138 0.000 1.241 401 Q HN 0.513 nan 8.270 nan 0.000 0.485 402 R N 1.700 122.298 120.500 0.163 0.000 2.537 402 R HA 0.230 4.573 4.340 0.005 0.000 0.280 402 R C -2.024 174.388 176.300 0.187 0.000 1.058 402 R CA -1.513 54.689 56.100 0.171 0.000 1.057 402 R CB -0.859 29.523 30.300 0.138 0.000 0.973 402 R HN 0.341 nan 8.270 nan 0.000 0.438 403 P HA -0.003 nan 4.420 nan 0.000 0.265 403 P C -0.411 177.042 177.300 0.255 0.000 1.193 403 P CA 0.326 63.580 63.100 0.257 0.000 0.765 403 P CB 0.366 32.213 31.700 0.244 0.000 0.823 404 T N 3.380 118.052 114.554 0.197 0.000 2.940 404 T HA 0.183 4.537 4.350 0.005 0.000 0.309 404 T C 0.644 175.339 174.700 -0.008 0.000 1.056 404 T CA 0.228 62.328 62.100 0.000 0.000 1.137 404 T CB -0.113 68.629 68.868 -0.209 0.000 0.976 404 T HN 0.186 nan 8.240 nan 0.000 0.547 405 I N 3.076 123.551 120.570 -0.158 0.000 2.321 405 I HA 0.284 4.457 4.170 0.005 0.000 0.291 405 I C -0.772 175.033 176.117 -0.521 0.000 0.998 405 I CA -0.740 60.417 61.300 -0.239 0.000 1.227 405 I CB 0.676 38.481 38.000 -0.326 0.000 1.368 405 I HN 0.582 nan 8.210 nan 0.000 0.466 406 Y N 5.927 126.128 120.300 -0.165 0.000 2.342 406 Y HA 0.406 4.959 4.550 0.005 0.000 0.338 406 Y C -0.397 175.368 175.900 -0.226 0.000 0.965 406 Y CA -0.596 57.445 58.100 -0.099 0.000 1.159 406 Y CB 0.561 39.017 38.460 -0.007 0.000 1.157 406 Y HN 0.362 nan 8.280 nan 0.000 0.486 407 Y N 2.421 122.837 120.300 0.193 0.000 2.301 407 Y HA 0.507 5.059 4.550 0.005 0.000 0.325 407 Y C 0.322 176.334 175.900 0.186 0.000 1.203 407 Y CA -0.914 57.260 58.100 0.124 0.000 1.255 407 Y CB 1.063 39.609 38.460 0.144 0.000 1.232 407 Y HN 0.378 nan 8.280 nan 0.000 0.501 408 V N 1.379 121.454 119.914 0.268 0.000 2.962 408 V HA 0.772 4.895 4.120 0.005 0.000 0.313 408 V C -0.766 175.421 176.094 0.155 0.000 1.099 408 V CA -1.112 61.313 62.300 0.209 0.000 0.971 408 V CB 2.270 34.178 31.823 0.142 0.000 1.028 408 V HN 0.884 nan 8.190 nan 0.000 0.430 409 M N 3.348 123.002 119.600 0.089 0.000 2.365 409 M HA 0.528 5.011 4.480 0.005 0.000 0.288 409 M C -0.356 175.883 176.300 -0.101 0.000 1.152 409 M CA -0.169 55.161 55.300 0.050 0.000 0.948 409 M CB 2.406 35.096 32.600 0.150 0.000 1.729 409 M HN 1.232 nan 8.290 nan 0.000 0.487 410 S N 2.352 117.965 115.700 -0.145 0.000 2.645 410 S HA 0.554 5.028 4.470 0.005 0.000 0.266 410 S C 0.995 175.454 174.600 -0.234 0.000 1.258 410 S CA 0.018 58.026 58.200 -0.321 0.000 0.990 410 S CB 1.256 64.334 63.200 -0.202 0.000 0.967 410 S HN 0.935 nan 8.310 nan 0.000 0.556 411 G N 1.073 109.691 108.800 -0.303 0.000 2.459 411 G HA2 -0.072 3.891 3.960 0.005 0.000 0.217 411 G HA3 -0.072 3.891 3.960 0.005 0.000 0.217 411 G C -1.042 173.718 174.900 -0.232 0.000 1.183 411 G CA 0.772 45.605 45.100 -0.445 0.000 0.776 411 G HN 0.654 nan 8.290 nan 0.000 0.552 412 P HA -0.047 nan 4.420 nan 0.000 0.216 412 P C 2.149 179.451 177.300 0.004 0.000 1.150 412 P CA 1.946 65.036 63.100 -0.017 0.000 0.837 412 P CB -0.142 31.552 31.700 -0.011 0.000 0.786 413 A N -0.696 122.126 122.820 0.003 0.000 1.877 413 A HA -0.200 4.123 4.320 0.005 0.000 0.216 413 A C 2.226 179.838 177.584 0.048 0.000 1.186 413 A CA 1.312 53.369 52.037 0.032 0.000 0.620 413 A CB -2.008 17.011 19.000 0.031 0.000 0.822 413 A HN 0.277 nan 8.150 nan 0.000 0.443 414 W N 0.865 122.097 121.300 -0.113 0.000 2.338 414 W HA -0.247 4.415 4.660 0.003 0.000 0.304 414 W C 2.069 178.571 176.519 -0.028 0.000 1.212 414 W CA 2.216 59.501 57.345 -0.100 0.000 1.264 414 W CB -0.409 28.985 29.460 -0.110 0.000 1.142 414 W HN 0.540 nan 8.180 nan 0.000 0.512 415 Q N 0.041 119.913 119.800 0.120 0.000 2.084 415 Q HA -0.242 4.101 4.340 0.005 0.000 0.202 415 Q C 2.276 178.233 176.000 -0.071 0.000 0.978 415 Q CA 1.751 57.602 55.803 0.079 0.000 0.844 415 Q CB -0.657 28.169 28.738 0.147 0.000 0.898 415 Q HN 0.216 nan 8.270 nan 0.000 0.426 416 L N 0.526 121.705 121.223 -0.075 0.000 2.046 416 L HA -0.183 4.160 4.340 0.005 0.000 0.208 416 L C 2.279 179.065 176.870 -0.141 0.000 1.077 416 L CA 1.657 56.410 54.840 -0.144 0.000 0.747 416 L CB -0.351 41.686 42.059 -0.037 0.000 0.896 416 L HN 0.273 nan 8.230 nan 0.000 0.432 417 M N -1.569 117.979 119.600 -0.087 0.000 2.117 417 M HA -0.238 4.246 4.480 0.005 0.000 0.262 417 M C 2.114 178.308 176.300 -0.177 0.000 1.065 417 M CA 1.604 56.855 55.300 -0.082 0.000 1.114 417 M CB -0.135 32.277 32.600 -0.314 0.000 1.361 417 M HN 0.299 nan 8.290 nan 0.000 0.408 418 Q N 0.379 119.983 119.800 -0.325 0.000 2.124 418 Q HA -0.210 4.133 4.340 0.005 0.000 0.202 418 Q C 1.905 177.827 176.000 -0.130 0.000 0.977 418 Q CA 1.790 57.449 55.803 -0.240 0.000 0.850 418 Q CB -0.700 27.908 28.738 -0.216 0.000 0.901 418 Q HN 0.702 nan 8.270 nan 0.000 0.429 419 Q N -0.298 119.402 119.800 -0.167 0.000 2.061 419 Q HA -0.133 4.211 4.340 0.005 0.000 0.204 419 Q C 2.025 177.927 176.000 -0.164 0.000 0.984 419 Q CA 1.408 57.090 55.803 -0.201 0.000 0.846 419 Q CB -0.290 28.244 28.738 -0.338 0.000 0.902 419 Q HN 0.356 nan 8.270 nan 0.000 0.421 420 F N 0.708 120.630 119.950 -0.047 0.000 2.171 420 F HA -0.173 4.359 4.527 0.008 0.000 0.300 420 F C 1.841 177.609 175.800 -0.053 0.000 1.090 420 F CA 0.567 58.546 58.000 -0.035 0.000 1.293 420 F CB 0.091 39.056 39.000 -0.058 0.000 1.013 420 F HN 0.104 nan 8.300 nan 0.000 0.486 421 Q N 1.830 121.686 119.800 0.093 0.000 2.903 421 Q HA 0.064 4.407 4.340 0.005 0.000 0.295 421 Q C -1.073 174.937 176.000 0.017 0.000 1.157 421 Q CA -0.234 55.585 55.803 0.026 0.000 0.930 421 Q CB -0.864 27.856 28.738 -0.031 0.000 1.571 421 Q HN 0.542 nan 8.270 nan 0.000 0.440 422 N N 0.000 118.721 118.700 0.035 0.000 1.763 422 N HA 0.000 4.743 4.740 0.005 0.000 0.220 422 N CA 0.000 53.066 53.050 0.026 0.000 0.885 422 N CB 0.000 38.494 38.487 0.012 0.000 1.341 422 N HN 0.000 nan 8.380 nan 0.000 0.667