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 2xq6_1_E DATA FIRST_RESID 7 DATA SEQUENCE PPPIADEPLT VNTGIYLIEC YSLDDKAETF KVNAFLSLSW KDRRLAFDPV DATA SEQUENCE RSGVRVKTYE PEAIWIPEIR FVNVENARDA DVVDISVSPD GTVQYLERFS DATA SEQUENCE ARVLSPLDFR RYPFDSQTLH IYLIVRSVDT RNIVLAVDLE KVGKNDDVFL DATA SEQUENCE TGWDIESFTA VVKPANFALE DRLESKLDYQ LRISRQYFSY IPNIILPMLF DATA SEQUENCE ILFISWTAFW STSYEANVTL VVSTLIAHIA FNILVETNLP KTPYMTYTGA DATA SEQUENCE IIFMIYLFYF VAVIEVTVQH YLKVESQPAR AASITRASRI AFPVVFLLAN DATA SEQUENCE IILAFLFFGF 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.184 177.300 -0.194 0.000 1.155 7 P CA 0.000 63.141 63.100 0.068 0.000 0.800 7 P CB 0.000 31.759 31.700 0.099 0.000 0.726 8 P HA 0.186 nan 4.420 nan 0.000 0.271 8 P C -2.341 174.451 177.300 -0.846 0.000 1.218 8 P CA -1.249 61.023 63.100 -1.380 0.000 0.780 8 P CB -0.250 30.930 31.700 -0.866 0.000 0.901 9 P HA 0.161 nan 4.420 nan 0.000 0.269 9 P C 0.252 177.381 177.300 -0.285 0.000 1.263 9 P CA 0.009 62.864 63.100 -0.410 0.000 0.813 9 P CB -0.053 31.485 31.700 -0.271 0.000 0.868 10 I N 2.576 123.029 120.570 -0.194 0.000 2.907 10 I HA -0.007 4.169 4.170 0.011 0.000 0.285 10 I C 1.256 177.313 176.117 -0.100 0.000 1.189 10 I CA 0.297 61.516 61.300 -0.136 0.000 1.376 10 I CB -0.342 37.602 38.000 -0.094 0.000 1.420 10 I HN 0.361 nan 8.210 nan 0.000 0.544 11 A N 5.783 128.542 122.820 -0.100 0.000 2.452 11 A HA 0.521 4.848 4.320 0.011 0.000 0.285 11 A C 0.471 178.025 177.584 -0.050 0.000 1.209 11 A CA -0.496 51.500 52.037 -0.069 0.000 0.940 11 A CB 0.757 19.713 19.000 -0.074 0.000 1.440 11 A HN 0.681 nan 8.150 nan 0.000 0.480 12 D N -1.267 119.112 120.400 -0.036 0.000 2.489 12 D HA 0.211 4.857 4.640 0.011 0.000 0.231 12 D C -0.227 176.057 176.300 -0.026 0.000 1.114 12 D CA 0.416 54.399 54.000 -0.029 0.000 0.842 12 D CB 0.839 41.627 40.800 -0.020 0.000 1.133 12 D HN 0.428 nan 8.370 nan 0.000 0.506 13 E N 0.005 120.190 120.200 -0.026 0.000 2.460 13 E HA 0.378 4.735 4.350 0.011 0.000 0.277 13 E C -2.646 173.938 176.600 -0.026 0.000 1.010 13 E CA -1.959 54.427 56.400 -0.023 0.000 0.838 13 E CB 0.728 30.419 29.700 -0.015 0.000 1.448 13 E HN -0.295 nan 8.360 nan 0.000 0.462 14 P HA 0.013 nan 4.420 nan 0.000 0.254 14 P C -0.237 177.058 177.300 -0.008 0.000 1.186 14 P CA -0.012 63.076 63.100 -0.020 0.000 0.868 14 P CB -0.236 31.455 31.700 -0.015 0.000 0.856 15 L N 4.332 125.547 121.223 -0.014 0.000 2.534 15 L HA 0.089 4.436 4.340 0.011 0.000 0.271 15 L C 0.196 177.092 176.870 0.043 0.000 1.178 15 L CA 0.914 55.763 54.840 0.014 0.000 0.907 15 L CB -0.158 41.896 42.059 -0.010 0.000 1.164 15 L HN 0.188 nan 8.230 nan 0.000 0.482 16 T N 4.959 119.554 114.554 0.067 0.000 2.851 16 T HA 0.384 4.741 4.350 0.011 0.000 0.298 16 T C -0.315 174.470 174.700 0.141 0.000 0.977 16 T CA -0.251 61.897 62.100 0.080 0.000 1.126 16 T CB 0.597 69.505 68.868 0.068 0.000 0.916 16 T HN 0.452 nan 8.240 nan 0.000 0.529 17 V N 6.010 125.998 119.914 0.124 0.000 2.417 17 V HA 0.365 4.492 4.120 0.011 0.000 0.291 17 V C 0.083 176.271 176.094 0.157 0.000 1.024 17 V CA -1.032 61.374 62.300 0.178 0.000 0.861 17 V CB 1.644 33.524 31.823 0.095 0.000 0.985 17 V HN 0.777 nan 8.190 nan 0.000 0.436 18 N N 3.424 122.241 118.700 0.196 0.000 2.485 18 N HA 0.330 5.077 4.740 0.011 0.000 0.243 18 N C 0.213 175.824 175.510 0.168 0.000 0.987 18 N CA -0.157 52.984 53.050 0.152 0.000 0.940 18 N CB 2.005 40.568 38.487 0.126 0.000 1.122 18 N HN 0.844 nan 8.380 nan 0.000 0.509 19 T N -0.925 113.727 114.554 0.162 0.000 2.849 19 T HA 0.827 5.184 4.350 0.011 0.000 0.276 19 T C 0.541 175.374 174.700 0.222 0.000 0.971 19 T CA -0.824 61.392 62.100 0.194 0.000 0.949 19 T CB 1.798 70.790 68.868 0.207 0.000 1.093 19 T HN 0.441 nan 8.240 nan 0.000 0.545 20 G N -0.186 108.752 108.800 0.231 0.000 2.318 20 G HA2 0.461 4.428 3.960 0.011 0.000 0.306 20 G HA3 0.461 4.428 3.960 0.011 0.000 0.306 20 G C -1.600 173.394 174.900 0.155 0.000 1.696 20 G CA -0.972 44.263 45.100 0.224 0.000 0.905 20 G HN 0.862 nan 8.290 nan 0.000 0.700 21 I N 1.751 122.368 120.570 0.079 0.000 2.447 21 I HA 0.289 4.466 4.170 0.011 0.000 0.287 21 I C -1.142 175.162 176.117 0.311 0.000 1.023 21 I CA -0.888 60.511 61.300 0.164 0.000 1.083 21 I CB 2.307 40.280 38.000 -0.046 0.000 1.245 21 I HN 0.578 nan 8.210 nan 0.000 0.434 22 Y N 7.450 127.916 120.300 0.276 0.000 2.931 22 Y HA 0.417 4.974 4.550 0.011 0.000 0.330 22 Y C 0.075 176.041 175.900 0.109 0.000 1.115 22 Y CA -0.618 57.618 58.100 0.227 0.000 1.283 22 Y CB 0.407 39.042 38.460 0.291 0.000 1.215 22 Y HN 0.395 nan 8.280 nan 0.000 0.534 23 L N 6.705 127.928 121.223 -0.001 0.000 2.771 23 L HA -0.181 4.165 4.340 0.011 0.000 0.278 23 L C 0.997 177.735 176.870 -0.219 0.000 1.175 23 L CA 0.735 55.516 54.840 -0.099 0.000 0.973 23 L CB 0.093 42.097 42.059 -0.091 0.000 1.286 23 L HN 0.746 nan 8.230 nan 0.000 0.481 24 I N 0.988 121.459 120.570 -0.166 0.000 2.429 24 I HA 0.036 4.213 4.170 0.011 0.000 0.247 24 I C 0.949 177.023 176.117 -0.071 0.000 1.099 24 I CA 0.882 62.104 61.300 -0.130 0.000 1.422 24 I CB 0.157 38.026 38.000 -0.218 0.000 1.112 24 I HN 0.559 nan 8.210 nan 0.000 0.430 25 E N -0.194 119.985 120.200 -0.035 0.000 2.293 25 E HA 0.422 4.779 4.350 0.011 0.000 0.270 25 E C -1.666 175.048 176.600 0.190 0.000 0.879 25 E CA -0.444 56.010 56.400 0.090 0.000 0.756 25 E CB 2.732 32.480 29.700 0.080 0.000 1.208 25 E HN -0.014 nan 8.360 nan 0.000 0.428 26 C N 3.024 122.478 119.300 0.257 0.000 2.547 26 C HA 0.817 5.284 4.460 0.011 0.000 0.313 26 C C -1.381 173.809 174.990 0.334 0.000 1.191 26 C CA -0.519 58.618 59.018 0.199 0.000 1.474 26 C CB -0.092 27.668 27.740 0.033 0.000 2.081 26 C HN 0.745 nan 8.230 nan 0.000 0.476 27 Y N -0.083 120.225 120.300 0.013 0.000 2.677 27 Y HA 0.592 5.148 4.550 0.011 0.000 0.334 27 Y C 0.218 176.110 175.900 -0.014 0.000 1.196 27 Y CA -0.838 57.237 58.100 -0.042 0.000 1.059 27 Y CB 0.471 38.905 38.460 -0.045 0.000 1.315 27 Y HN 0.483 nan 8.280 nan 0.000 0.455 28 S N 0.956 116.702 115.700 0.076 0.000 3.524 28 S HA -0.222 4.255 4.470 0.011 0.000 0.377 28 S C -0.472 174.133 174.600 0.008 0.000 0.949 28 S CA 0.618 58.844 58.200 0.044 0.000 1.264 28 S CB -1.089 62.162 63.200 0.084 0.000 0.918 28 S HN 0.723 nan 8.310 nan 0.000 0.517 29 L N 1.963 123.187 121.223 0.001 0.000 2.418 29 L HA 0.237 4.584 4.340 0.011 0.000 0.274 29 L C 0.238 177.163 176.870 0.092 0.000 1.135 29 L CA 0.091 54.922 54.840 -0.015 0.000 0.870 29 L CB 0.504 42.396 42.059 -0.279 0.000 1.154 29 L HN 0.181 nan 8.230 nan 0.000 0.462 30 D N 3.627 124.086 120.400 0.099 0.000 2.485 30 D HA 0.106 4.753 4.640 0.011 0.000 0.229 30 D C 0.603 177.008 176.300 0.175 0.000 1.101 30 D CA -0.301 53.773 54.000 0.123 0.000 0.906 30 D CB 1.096 41.944 40.800 0.080 0.000 1.019 30 D HN 0.615 nan 8.370 nan 0.000 0.516 31 D N 1.703 122.260 120.400 0.263 0.000 2.133 31 D HA -0.209 4.438 4.640 0.011 0.000 0.192 31 D C 1.845 178.296 176.300 0.252 0.000 1.001 31 D CA 1.160 55.402 54.000 0.403 0.000 0.844 31 D CB 0.453 41.516 40.800 0.439 0.000 0.944 31 D HN 0.255 nan 8.370 nan 0.000 0.447 32 K N 0.110 120.562 120.400 0.087 0.000 2.009 32 K HA -0.045 4.282 4.320 0.011 0.000 0.210 32 K C 2.049 178.680 176.600 0.053 0.000 1.049 32 K CA 1.278 57.568 56.287 0.006 0.000 0.929 32 K CB -0.322 32.165 32.500 -0.021 0.000 0.714 32 K HN 0.163 nan 8.250 nan 0.000 0.440 33 A N 0.717 123.580 122.820 0.071 0.000 2.123 33 A HA -0.055 4.272 4.320 0.011 0.000 0.214 33 A C -0.041 177.601 177.584 0.096 0.000 1.152 33 A CA 0.532 52.609 52.037 0.066 0.000 0.728 33 A CB -0.065 18.963 19.000 0.046 0.000 0.814 33 A HN 0.468 nan 8.150 nan 0.000 0.464 34 E N 0.240 120.524 120.200 0.141 0.000 2.257 34 E HA -0.154 4.203 4.350 0.011 0.000 0.217 34 E C -0.066 176.606 176.600 0.121 0.000 1.248 34 E CA 0.647 57.139 56.400 0.154 0.000 0.691 34 E CB -2.580 27.220 29.700 0.166 0.000 1.185 34 E HN 0.822 nan 8.360 nan 0.000 0.377 35 T N -1.808 112.815 114.554 0.117 0.000 2.841 35 T HA 0.828 5.185 4.350 0.011 0.000 0.296 35 T C -0.699 174.107 174.700 0.177 0.000 1.166 35 T CA -0.865 61.301 62.100 0.111 0.000 1.007 35 T CB 2.234 71.115 68.868 0.021 0.000 1.253 35 T HN 0.444 nan 8.240 nan 0.000 0.511 36 F N -1.376 118.490 119.950 -0.139 0.000 2.678 36 F HA 0.841 5.375 4.527 0.011 0.000 0.308 36 F C -1.445 174.183 175.800 -0.286 0.000 1.118 36 F CA -1.360 56.506 58.000 -0.223 0.000 0.959 36 F CB 1.293 40.128 39.000 -0.276 0.000 1.305 36 F HN 0.714 nan 8.300 nan 0.000 0.443 37 K N 1.716 121.811 120.400 -0.509 0.000 2.123 37 K HA 0.783 5.110 4.320 0.011 0.000 0.259 37 K C -1.551 174.515 176.600 -0.891 0.000 0.960 37 K CA -1.206 54.609 56.287 -0.786 0.000 0.872 37 K CB 2.353 34.318 32.500 -0.892 0.000 1.079 37 K HN 0.655 nan 8.250 nan 0.000 0.440 38 V N 2.560 122.107 119.914 -0.611 0.000 2.733 38 V HA 0.357 4.484 4.120 0.011 0.000 0.306 38 V C -1.751 174.215 176.094 -0.213 0.000 1.084 38 V CA -0.709 61.404 62.300 -0.312 0.000 0.905 38 V CB 1.974 33.698 31.823 -0.164 0.000 1.010 38 V HN 0.809 nan 8.190 nan 0.000 0.424 39 N N 4.671 123.327 118.700 -0.073 0.000 2.408 39 N HA 0.892 5.639 4.740 0.011 0.000 0.280 39 N C -0.680 174.604 175.510 -0.375 0.000 1.002 39 N CA 0.409 53.328 53.050 -0.218 0.000 0.907 39 N CB 1.962 40.426 38.487 -0.038 0.000 1.161 39 N HN 1.153 nan 8.380 nan 0.000 0.488 40 A N 2.087 124.500 122.820 -0.680 0.000 2.601 40 A HA 0.571 4.898 4.320 0.011 0.000 0.291 40 A C -1.526 175.850 177.584 -0.348 0.000 1.075 40 A CA -0.623 51.112 52.037 -0.503 0.000 0.671 40 A CB 0.444 19.232 19.000 -0.353 0.000 1.277 40 A HN 0.395 nan 8.150 nan 0.000 0.417 41 F N -0.092 119.895 119.950 0.061 0.000 2.382 41 F HA 0.599 5.133 4.527 0.012 0.000 0.331 41 F C 0.224 176.239 175.800 0.358 0.000 1.121 41 F CA -0.688 57.416 58.000 0.172 0.000 1.183 41 F CB 1.517 40.622 39.000 0.174 0.000 1.207 41 F HN 0.369 nan 8.300 nan 0.000 0.555 42 L N 2.336 123.908 121.223 0.582 0.000 2.377 42 L HA 0.455 4.802 4.340 0.011 0.000 0.270 42 L C -0.840 176.206 176.870 0.293 0.000 0.991 42 L CA -0.267 54.847 54.840 0.456 0.000 0.851 42 L CB 1.015 43.362 42.059 0.479 0.000 1.218 42 L HN 0.429 nan 8.230 nan 0.000 0.420 43 S N 6.194 122.037 115.700 0.239 0.000 2.438 43 S HA 0.761 5.238 4.470 0.011 0.000 0.293 43 S C -0.279 174.472 174.600 0.252 0.000 1.141 43 S CA -0.527 57.782 58.200 0.182 0.000 1.080 43 S CB 0.751 64.021 63.200 0.116 0.000 0.978 43 S HN 0.539 nan 8.310 nan 0.000 0.479 44 L N 2.377 123.816 121.223 0.360 0.000 2.303 44 L HA 0.859 5.206 4.340 0.011 0.000 0.266 44 L C 0.009 177.080 176.870 0.335 0.000 1.011 44 L CA -0.614 54.445 54.840 0.365 0.000 0.818 44 L CB 2.061 44.356 42.059 0.393 0.000 1.326 44 L HN 0.805 nan 8.230 nan 0.000 0.435 45 S N -0.210 115.712 115.700 0.370 0.000 2.565 45 S HA 0.734 5.211 4.470 0.011 0.000 0.274 45 S C -1.894 172.943 174.600 0.395 0.000 1.144 45 S CA -0.893 57.439 58.200 0.220 0.000 0.849 45 S CB 1.369 64.595 63.200 0.044 0.000 1.103 45 S HN 0.803 nan 8.310 nan 0.000 0.455 46 W N 0.799 122.136 121.300 0.061 0.000 3.161 46 W HA 0.659 5.326 4.660 0.011 0.000 0.314 46 W C -1.813 174.732 176.519 0.044 0.000 1.245 46 W CA -0.944 56.439 57.345 0.064 0.000 1.191 46 W CB 0.573 30.101 29.460 0.115 0.000 1.392 46 W HN 0.901 nan 8.180 nan 0.000 0.568 47 K N 1.791 122.312 120.400 0.201 0.000 2.262 47 K HA 0.316 4.642 4.320 0.011 0.000 0.282 47 K C -0.851 175.855 176.600 0.176 0.000 1.066 47 K CA -0.295 56.035 56.287 0.072 0.000 0.901 47 K CB 1.579 34.103 32.500 0.041 0.000 1.089 47 K HN 0.443 nan 8.250 nan 0.000 0.476 48 D N 4.677 125.124 120.400 0.078 0.000 2.683 48 D HA 0.083 4.730 4.640 0.011 0.000 0.309 48 D C 1.014 177.321 176.300 0.012 0.000 1.238 48 D CA -0.635 53.441 54.000 0.127 0.000 0.936 48 D CB 0.443 41.384 40.800 0.236 0.000 1.001 48 D HN 0.711 nan 8.370 nan 0.000 0.505 49 R N 0.580 121.080 120.500 0.000 0.000 2.294 49 R HA -0.180 4.167 4.340 0.011 0.000 0.250 49 R C 1.637 177.929 176.300 -0.013 0.000 1.181 49 R CA 0.663 56.754 56.100 -0.016 0.000 1.016 49 R CB -0.354 29.941 30.300 -0.009 0.000 0.869 49 R HN 0.149 nan 8.270 nan 0.000 0.476 50 R N 1.653 122.147 120.500 -0.010 0.000 2.237 50 R HA -0.005 4.342 4.340 0.011 0.000 0.219 50 R C 1.312 177.611 176.300 -0.001 0.000 1.080 50 R CA 0.999 57.095 56.100 -0.007 0.000 0.995 50 R CB 0.014 30.306 30.300 -0.015 0.000 0.875 50 R HN 0.500 nan 8.270 nan 0.000 0.462 51 L N -3.222 117.988 121.223 -0.022 0.000 3.288 51 L HA 0.598 4.945 4.340 0.011 0.000 0.293 51 L C -0.106 176.727 176.870 -0.062 0.000 1.294 51 L CA -0.807 54.022 54.840 -0.018 0.000 1.006 51 L CB 0.817 42.833 42.059 -0.071 0.000 1.407 51 L HN -0.186 nan 8.230 nan 0.000 0.592 52 A N 1.443 124.235 122.820 -0.046 0.000 2.483 52 A HA 0.440 4.766 4.320 0.011 0.000 0.238 52 A C 0.084 177.756 177.584 0.146 0.000 1.070 52 A CA 0.304 52.316 52.037 -0.042 0.000 0.770 52 A CB 0.010 19.012 19.000 0.003 0.000 1.008 52 A HN 0.666 nan 8.150 nan 0.000 0.497 53 F N 0.085 120.055 119.950 0.034 0.000 2.453 53 F HA 0.342 4.876 4.527 0.011 0.000 0.382 53 F C -0.393 175.421 175.800 0.023 0.000 1.495 53 F CA -1.709 56.314 58.000 0.038 0.000 1.071 53 F CB -1.672 37.366 39.000 0.063 0.000 1.577 53 F HN 0.707 nan 8.300 nan 0.000 0.508 54 D N 0.722 121.278 120.400 0.260 0.000 3.142 54 D HA -0.216 4.431 4.640 0.011 0.000 0.221 54 D C -1.749 174.511 176.300 -0.066 0.000 1.193 54 D CA 0.635 54.678 54.000 0.070 0.000 0.900 54 D CB -0.946 39.871 40.800 0.028 0.000 0.886 54 D HN 0.329 nan 8.370 nan 0.000 0.399 55 P HA -0.349 nan 4.420 nan 0.000 0.214 55 P C 1.640 178.865 177.300 -0.125 0.000 1.164 55 P CA 1.571 64.608 63.100 -0.106 0.000 0.942 55 P CB 0.034 31.736 31.700 0.002 0.000 0.791 56 V N 1.125 121.000 119.914 -0.065 0.000 2.261 56 V HA -0.234 3.892 4.120 0.011 0.000 0.246 56 V C 2.839 178.891 176.094 -0.070 0.000 1.047 56 V CA 2.109 64.375 62.300 -0.057 0.000 1.015 56 V CB -1.286 30.518 31.823 -0.031 0.000 0.642 56 V HN 0.040 nan 8.190 nan 0.000 0.446 57 R N 1.355 121.818 120.500 -0.062 0.000 2.154 57 R HA -0.107 4.240 4.340 0.011 0.000 0.248 57 R C 1.091 177.344 176.300 -0.079 0.000 1.155 57 R CA 1.617 57.683 56.100 -0.056 0.000 0.979 57 R CB -0.695 29.582 30.300 -0.038 0.000 0.869 57 R HN 0.731 nan 8.270 nan 0.000 0.452 58 S N -3.018 112.604 115.700 -0.129 0.000 2.615 58 S HA 0.543 5.020 4.470 0.011 0.000 0.269 58 S C 0.594 175.067 174.600 -0.212 0.000 1.161 58 S CA -0.244 57.868 58.200 -0.148 0.000 0.817 58 S CB 1.886 65.003 63.200 -0.138 0.000 1.131 58 S HN 0.346 nan 8.310 nan 0.000 0.467 59 G N 0.791 109.485 108.800 -0.176 0.000 2.698 59 G HA2 -0.149 3.818 3.960 0.011 0.000 0.346 59 G HA3 -0.149 3.818 3.960 0.011 0.000 0.346 59 G C 0.490 175.283 174.900 -0.179 0.000 1.287 59 G CA 2.452 47.441 45.100 -0.184 0.000 0.990 59 G HN 2.267 nan 8.290 nan 0.000 0.545 60 V N -3.961 115.825 119.914 -0.214 0.000 3.076 60 V HA 0.769 4.895 4.120 0.011 0.000 0.311 60 V C 1.556 177.582 176.094 -0.113 0.000 1.346 60 V CA 0.551 62.771 62.300 -0.134 0.000 1.056 60 V CB 1.061 32.840 31.823 -0.075 0.000 1.093 60 V HN 0.958 nan 8.190 nan 0.000 0.468 61 R N -0.513 119.974 120.500 -0.022 0.000 2.094 61 R HA 0.000 4.347 4.340 0.011 0.000 0.239 61 R C 0.016 176.428 176.300 0.187 0.000 1.137 61 R CA 2.311 58.441 56.100 0.051 0.000 0.943 61 R CB -0.104 30.217 30.300 0.035 0.000 0.850 61 R HN 0.687 nan 8.270 nan 0.000 0.433 62 V N 0.430 120.453 119.914 0.182 0.000 2.808 62 V HA 0.207 4.333 4.120 0.011 0.000 0.308 62 V C -1.261 174.973 176.094 0.234 0.000 1.099 62 V CA -1.082 61.389 62.300 0.286 0.000 0.920 62 V CB 1.870 33.760 31.823 0.112 0.000 1.014 62 V HN 0.084 nan 8.190 nan 0.000 0.425 63 K N 1.899 122.517 120.400 0.364 0.000 2.213 63 K HA 0.536 4.863 4.320 0.011 0.000 0.270 63 K C -0.264 176.295 176.600 -0.068 0.000 1.002 63 K CA 0.089 56.463 56.287 0.144 0.000 0.868 63 K CB 1.458 34.138 32.500 0.299 0.000 1.093 63 K HN 0.715 nan 8.250 nan 0.000 0.454 64 T N 4.593 119.066 114.554 -0.134 0.000 2.794 64 T HA 0.258 4.614 4.350 0.011 0.000 0.296 64 T C -0.825 173.746 174.700 -0.216 0.000 0.949 64 T CA 0.210 62.249 62.100 -0.101 0.000 1.101 64 T CB -0.103 68.733 68.868 -0.053 0.000 0.905 64 T HN 0.399 nan 8.240 nan 0.000 0.516 65 Y N 1.407 121.735 120.300 0.047 0.000 2.631 65 Y HA 0.572 5.128 4.550 0.011 0.000 0.328 65 Y C 0.588 176.523 175.900 0.058 0.000 1.118 65 Y CA -1.177 56.957 58.100 0.057 0.000 1.206 65 Y CB 1.319 39.818 38.460 0.065 0.000 1.337 65 Y HN 0.439 nan 8.280 nan 0.000 0.515 66 E N 0.880 121.245 120.200 0.276 0.000 2.212 66 E HA 0.344 4.700 4.350 0.011 0.000 0.270 66 E C -2.047 174.655 176.600 0.170 0.000 0.956 66 E CA -2.356 54.149 56.400 0.175 0.000 0.825 66 E CB 1.428 31.206 29.700 0.130 0.000 1.167 66 E HN 0.154 nan 8.360 nan 0.000 0.400 67 P HA -0.232 nan 4.420 nan 0.000 0.217 67 P C 0.516 177.860 177.300 0.074 0.000 1.151 67 P CA 1.358 64.528 63.100 0.117 0.000 0.849 67 P CB 0.216 31.980 31.700 0.107 0.000 0.787 68 E N -0.202 120.043 120.200 0.074 0.000 2.153 68 E HA -0.151 4.206 4.350 0.011 0.000 0.194 68 E C 1.955 178.593 176.600 0.063 0.000 0.988 68 E CA 1.461 57.896 56.400 0.058 0.000 0.811 68 E CB -1.240 28.496 29.700 0.059 0.000 0.746 68 E HN 0.194 nan 8.360 nan 0.000 0.466 69 A N 2.331 125.203 122.820 0.087 0.000 1.828 69 A HA -0.050 4.277 4.320 0.011 0.000 0.215 69 A C 1.450 179.021 177.584 -0.021 0.000 1.203 69 A CA 0.795 52.869 52.037 0.063 0.000 0.614 69 A CB -0.448 18.655 19.000 0.170 0.000 0.844 69 A HN 0.131 nan 8.150 nan 0.000 0.445 70 I N -2.129 118.410 120.570 -0.052 0.000 2.823 70 I HA 0.090 4.267 4.170 0.011 0.000 0.290 70 I C 0.170 176.364 176.117 0.127 0.000 1.091 70 I CA -1.354 59.939 61.300 -0.012 0.000 1.365 70 I CB -0.232 37.779 38.000 0.019 0.000 1.427 70 I HN 0.596 nan 8.210 nan 0.000 0.583 71 W N 6.623 127.944 121.300 0.035 0.000 2.266 71 W HA 0.473 5.140 4.660 0.011 0.000 0.317 71 W C -0.585 175.949 176.519 0.026 0.000 1.310 71 W CA -0.297 57.055 57.345 0.011 0.000 1.207 71 W CB 0.481 29.930 29.460 -0.018 0.000 1.199 71 W HN 0.238 nan 8.180 nan 0.000 0.544 72 I N 6.841 126.775 120.570 -1.060 0.000 2.545 72 I HA 0.402 4.578 4.170 0.011 0.000 0.292 72 I C -2.444 172.639 176.117 -1.723 0.000 1.040 72 I CA -2.705 57.879 61.300 -1.192 0.000 1.068 72 I CB 1.361 39.024 38.000 -0.561 0.000 1.251 72 I HN 0.271 nan 8.210 nan 0.000 0.424 73 P HA 0.278 nan 4.420 nan 0.000 0.281 73 P C -0.763 176.149 177.300 -0.648 0.000 1.252 73 P CA -0.213 62.201 63.100 -1.142 0.000 0.778 73 P CB 0.533 31.739 31.700 -0.823 0.000 0.895 74 E N 2.850 122.789 120.200 -0.436 0.000 2.104 74 E HA 0.146 4.503 4.350 0.011 0.000 0.278 74 E C -0.177 176.312 176.600 -0.185 0.000 1.127 74 E CA -0.145 56.093 56.400 -0.269 0.000 0.897 74 E CB 0.116 29.707 29.700 -0.182 0.000 1.043 74 E HN 0.294 nan 8.360 nan 0.000 0.410 75 I N 4.764 125.236 120.570 -0.163 0.000 2.307 75 I HA 0.187 4.364 4.170 0.011 0.000 0.287 75 I C 0.261 176.365 176.117 -0.022 0.000 1.054 75 I CA -0.297 60.944 61.300 -0.098 0.000 1.218 75 I CB 0.375 38.319 38.000 -0.094 0.000 1.398 75 I HN 0.324 nan 8.210 nan 0.000 0.475 76 R N 4.864 125.357 120.500 -0.012 0.000 2.474 76 R HA 0.554 4.900 4.340 0.011 0.000 0.295 76 R C -0.898 175.455 176.300 0.088 0.000 0.980 76 R CA -0.696 55.440 56.100 0.060 0.000 0.934 76 R CB 1.469 31.781 30.300 0.019 0.000 1.101 76 R HN 0.124 nan 8.270 nan 0.000 0.469 77 F N 0.847 120.754 119.950 -0.072 0.000 2.384 77 F HA 0.104 4.638 4.527 0.011 0.000 0.338 77 F C 1.409 177.213 175.800 0.007 0.000 1.103 77 F CA -0.475 57.501 58.000 -0.040 0.000 1.157 77 F CB 1.260 40.202 39.000 -0.096 0.000 1.167 77 F HN 0.242 nan 8.300 nan 0.000 0.529 78 V N 1.934 121.966 119.914 0.197 0.000 2.283 78 V HA -0.200 3.926 4.120 0.011 0.000 0.239 78 V C 0.840 177.014 176.094 0.132 0.000 1.035 78 V CA 1.449 63.817 62.300 0.114 0.000 1.018 78 V CB -0.633 31.207 31.823 0.029 0.000 0.658 78 V HN 0.797 nan 8.190 nan 0.000 0.459 79 N N 0.925 119.771 118.700 0.243 0.000 3.245 79 N HA 0.318 5.064 4.740 0.011 0.000 0.296 79 N C -0.960 174.629 175.510 0.132 0.000 1.254 79 N CA -0.108 53.056 53.050 0.190 0.000 1.190 79 N CB 0.442 39.103 38.487 0.290 0.000 1.460 79 N HN 0.231 nan 8.380 nan 0.000 0.538 80 V N 0.745 120.709 119.914 0.084 0.000 2.735 80 V HA 0.161 4.288 4.120 0.011 0.000 0.310 80 V C 1.013 177.103 176.094 -0.007 0.000 1.061 80 V CA -0.840 61.470 62.300 0.017 0.000 0.913 80 V CB 1.962 33.778 31.823 -0.010 0.000 1.005 80 V HN 0.432 nan 8.190 nan 0.000 0.428 81 E N 2.394 122.574 120.200 -0.033 0.000 2.023 81 E HA -0.143 4.214 4.350 0.011 0.000 0.196 81 E C 0.164 176.748 176.600 -0.026 0.000 1.003 81 E CA 1.478 57.862 56.400 -0.027 0.000 0.809 81 E CB 0.163 29.841 29.700 -0.038 0.000 0.755 81 E HN 0.744 nan 8.360 nan 0.000 0.449 82 N N -1.156 117.522 118.700 -0.038 0.000 2.453 82 N HA 0.406 5.153 4.740 0.011 0.000 0.290 82 N C -1.197 174.291 175.510 -0.037 0.000 1.250 82 N CA -0.385 52.646 53.050 -0.032 0.000 0.815 82 N CB 1.533 40.002 38.487 -0.031 0.000 1.381 82 N HN 0.055 nan 8.380 nan 0.000 0.510 83 A N 1.345 124.149 122.820 -0.027 0.000 2.558 83 A HA -0.079 4.248 4.320 0.011 0.000 0.262 83 A C 0.170 177.725 177.584 -0.048 0.000 1.049 83 A CA 0.312 52.332 52.037 -0.027 0.000 0.804 83 A CB -0.625 18.366 19.000 -0.016 0.000 0.957 83 A HN 0.595 nan 8.150 nan 0.000 0.520 84 R N 2.645 123.093 120.500 -0.086 0.000 2.644 84 R HA -0.036 4.311 4.340 0.011 0.000 0.265 84 R C -0.485 175.786 176.300 -0.048 0.000 0.985 84 R CA 0.118 56.134 56.100 -0.140 0.000 1.097 84 R CB 0.415 30.548 30.300 -0.279 0.000 0.931 84 R HN 0.629 nan 8.270 nan 0.000 0.419 85 D N 1.371 121.766 120.400 -0.009 0.000 2.772 85 D HA 0.265 4.912 4.640 0.011 0.000 0.273 85 D C -0.947 175.399 176.300 0.078 0.000 1.233 85 D CA -0.216 53.801 54.000 0.028 0.000 0.984 85 D CB 0.419 41.227 40.800 0.012 0.000 1.000 85 D HN 0.598 nan 8.370 nan 0.000 0.514 86 A N 1.841 124.725 122.820 0.107 0.000 2.312 86 A HA 0.560 4.887 4.320 0.011 0.000 0.326 86 A C -0.362 177.292 177.584 0.117 0.000 1.172 86 A CA -0.659 51.474 52.037 0.159 0.000 0.821 86 A CB 1.095 20.237 19.000 0.238 0.000 1.166 86 A HN 0.231 nan 8.150 nan 0.000 0.493 87 D N 0.839 121.305 120.400 0.111 0.000 2.350 87 D HA 0.453 5.100 4.640 0.011 0.000 0.245 87 D C -0.506 175.841 176.300 0.078 0.000 1.036 87 D CA -0.163 53.887 54.000 0.083 0.000 0.848 87 D CB 1.946 42.783 40.800 0.061 0.000 1.307 87 D HN 0.186 nan 8.370 nan 0.000 0.469 88 V N 2.351 122.298 119.914 0.056 0.000 2.488 88 V HA 0.067 4.194 4.120 0.011 0.000 0.277 88 V C 1.294 177.360 176.094 -0.046 0.000 1.046 88 V CA -0.196 62.097 62.300 -0.011 0.000 0.986 88 V CB 1.609 33.454 31.823 0.036 0.000 0.989 88 V HN 0.410 nan 8.190 nan 0.000 0.475 89 V N 3.004 122.841 119.914 -0.128 0.000 2.492 89 V HA 0.178 4.305 4.120 0.011 0.000 0.241 89 V C 0.332 176.350 176.094 -0.126 0.000 1.041 89 V CA 1.374 63.609 62.300 -0.108 0.000 1.057 89 V CB 0.526 32.262 31.823 -0.144 0.000 0.711 89 V HN 1.045 nan 8.190 nan 0.000 0.468 90 D N -2.062 118.227 120.400 -0.185 0.000 2.663 90 D HA 0.419 5.065 4.640 0.011 0.000 0.233 90 D C -1.462 174.774 176.300 -0.107 0.000 1.240 90 D CA -0.302 53.627 54.000 -0.119 0.000 0.774 90 D CB 1.609 42.341 40.800 -0.112 0.000 1.443 90 D HN 0.060 nan 8.370 nan 0.000 0.441 91 I N 1.466 122.029 120.570 -0.011 0.000 2.466 91 I HA 0.447 4.624 4.170 0.011 0.000 0.289 91 I C -0.682 175.464 176.117 0.048 0.000 1.026 91 I CA -0.610 60.724 61.300 0.057 0.000 1.078 91 I CB 2.086 40.185 38.000 0.164 0.000 1.249 91 I HN 0.113 nan 8.210 nan 0.000 0.429 92 S N 4.809 120.517 115.700 0.013 0.000 2.707 92 S HA 0.416 4.893 4.470 0.011 0.000 0.303 92 S C -0.476 174.104 174.600 -0.034 0.000 1.132 92 S CA -0.507 57.695 58.200 0.004 0.000 1.046 92 S CB 2.042 65.230 63.200 -0.021 0.000 1.004 92 S HN 0.273 nan 8.310 nan 0.000 0.483 93 V N 3.463 123.375 119.914 -0.004 0.000 2.368 93 V HA 0.345 4.471 4.120 0.011 0.000 0.266 93 V C 0.812 176.738 176.094 -0.279 0.000 1.045 93 V CA -0.269 61.947 62.300 -0.141 0.000 0.899 93 V CB 1.337 33.123 31.823 -0.062 0.000 1.006 93 V HN 0.890 nan 8.190 nan 0.000 0.470 94 S N 6.672 122.218 115.700 -0.256 0.000 2.580 94 S HA 0.192 4.668 4.470 0.011 0.000 0.266 94 S C -1.294 173.053 174.600 -0.422 0.000 1.354 94 S CA -0.704 57.368 58.200 -0.212 0.000 1.008 94 S CB 1.026 64.148 63.200 -0.130 0.000 0.898 94 S HN 0.603 nan 8.310 nan 0.000 0.555 95 P HA -0.053 nan 4.420 nan 0.000 0.217 95 P C 0.640 177.891 177.300 -0.081 0.000 1.151 95 P CA 1.040 64.118 63.100 -0.037 0.000 0.828 95 P CB -0.167 31.718 31.700 0.309 0.000 0.788 96 D N -1.212 119.148 120.400 -0.065 0.000 2.392 96 D HA -0.006 4.641 4.640 0.011 0.000 0.228 96 D C 1.362 177.610 176.300 -0.086 0.000 1.003 96 D CA 1.056 55.027 54.000 -0.048 0.000 0.917 96 D CB -1.166 39.615 40.800 -0.032 0.000 0.890 96 D HN 0.267 nan 8.370 nan 0.000 0.532 97 G N -1.302 107.396 108.800 -0.169 0.000 2.144 97 G HA2 -0.232 3.735 3.960 0.011 0.000 0.218 97 G HA3 -0.232 3.735 3.960 0.011 0.000 0.218 97 G C 0.239 175.018 174.900 -0.202 0.000 0.988 97 G CA 0.120 45.116 45.100 -0.174 0.000 0.659 97 G HN 0.485 nan 8.290 nan 0.000 0.522 98 T N 1.017 115.441 114.554 -0.217 0.000 2.794 98 T HA 0.515 4.872 4.350 0.011 0.000 0.296 98 T C 0.582 175.066 174.700 -0.360 0.000 0.949 98 T CA 0.011 61.961 62.100 -0.250 0.000 1.101 98 T CB 1.400 70.174 68.868 -0.157 0.000 0.905 98 T HN 0.486 nan 8.240 nan 0.000 0.516 99 V N 5.510 125.063 119.914 -0.602 0.000 2.532 99 V HA 0.454 4.581 4.120 0.011 0.000 0.295 99 V C -0.043 175.748 176.094 -0.505 0.000 1.041 99 V CA -0.857 61.025 62.300 -0.696 0.000 0.926 99 V CB 1.777 32.790 31.823 -1.351 0.000 0.992 99 V HN 0.688 nan 8.190 nan 0.000 0.457 100 Q N 3.173 122.810 119.800 -0.271 0.000 2.339 100 Q HA 0.399 4.746 4.340 0.011 0.000 0.268 100 Q C -1.554 174.442 176.000 -0.005 0.000 1.027 100 Q CA -0.392 55.343 55.803 -0.115 0.000 0.759 100 Q CB 2.495 31.182 28.738 -0.085 0.000 1.244 100 Q HN 0.805 nan 8.270 nan 0.000 0.464 101 Y N 2.908 123.174 120.300 -0.056 0.000 2.446 101 Y HA 0.643 5.199 4.550 0.011 0.000 0.338 101 Y C -1.569 174.339 175.900 0.014 0.000 1.055 101 Y CA -1.092 57.022 58.100 0.023 0.000 1.101 101 Y CB 1.225 39.780 38.460 0.159 0.000 1.221 101 Y HN 0.559 nan 8.280 nan 0.000 0.460 102 L N 6.031 126.839 121.223 -0.692 0.000 2.562 102 L HA 0.399 4.746 4.340 0.011 0.000 0.266 102 L C -1.302 175.173 176.870 -0.658 0.000 0.949 102 L CA -0.223 54.284 54.840 -0.555 0.000 0.879 102 L CB 1.717 43.513 42.059 -0.439 0.000 1.278 102 L HN 0.839 nan 8.230 nan 0.000 0.404 103 E N 3.541 123.525 120.200 -0.360 0.000 2.396 103 E HA 0.624 4.981 4.350 0.011 0.000 0.251 103 E C -0.759 175.990 176.600 0.249 0.000 0.949 103 E CA -1.132 55.230 56.400 -0.063 0.000 0.834 103 E CB 1.598 31.365 29.700 0.112 0.000 1.309 103 E HN 0.394 nan 8.360 nan 0.000 0.405 104 R N 1.275 121.951 120.500 0.293 0.000 2.718 104 R HA 0.181 4.527 4.340 0.011 0.000 0.266 104 R C -1.262 175.118 176.300 0.134 0.000 1.776 104 R CA -0.403 55.883 56.100 0.310 0.000 1.567 104 R CB 0.121 30.606 30.300 0.308 0.000 1.336 104 R HN 0.562 nan 8.270 nan 0.000 0.619 105 F N 0.643 120.650 119.950 0.095 0.000 2.390 105 F HA 0.588 5.121 4.527 0.011 0.000 0.307 105 F C 0.057 175.832 175.800 -0.041 0.000 1.227 105 F CA -0.654 57.345 58.000 -0.000 0.000 1.179 105 F CB 0.850 39.811 39.000 -0.065 0.000 1.280 105 F HN 0.172 nan 8.300 nan 0.000 0.548 106 S N 0.270 115.960 115.700 -0.017 0.000 2.357 106 S HA 0.736 5.213 4.470 0.011 0.000 0.209 106 S C -1.023 173.567 174.600 -0.017 0.000 0.981 106 S CA -0.294 57.840 58.200 -0.110 0.000 1.106 106 S CB 0.165 63.330 63.200 -0.059 0.000 1.266 106 S HN 1.329 nan 8.310 nan 0.000 0.410 107 A N 2.869 125.670 122.820 -0.032 0.000 2.386 107 A HA 0.943 5.270 4.320 0.011 0.000 0.308 107 A C -0.055 177.396 177.584 -0.223 0.000 1.128 107 A CA -1.320 50.639 52.037 -0.129 0.000 0.789 107 A CB 1.233 20.100 19.000 -0.223 0.000 1.325 107 A HN 0.978 nan 8.150 nan 0.000 0.437 108 R N 0.534 120.901 120.500 -0.221 0.000 2.312 108 R HA 0.623 4.969 4.340 0.011 0.000 0.311 108 R C -1.233 174.878 176.300 -0.316 0.000 1.004 108 R CA -0.464 55.449 56.100 -0.312 0.000 0.902 108 R CB 0.779 30.948 30.300 -0.218 0.000 1.073 108 R HN 0.293 nan 8.270 nan 0.000 0.457 109 V N 4.101 123.694 119.914 -0.535 0.000 2.539 109 V HA 0.256 4.383 4.120 0.011 0.000 0.292 109 V C 0.277 176.262 176.094 -0.182 0.000 1.045 109 V CA -0.980 61.077 62.300 -0.405 0.000 0.945 109 V CB 1.477 32.864 31.823 -0.726 0.000 0.993 109 V HN 0.731 nan 8.190 nan 0.000 0.464 110 L N 3.625 124.844 121.223 -0.006 0.000 2.494 110 L HA 0.413 4.760 4.340 0.011 0.000 0.251 110 L C 0.402 177.363 176.870 0.151 0.000 1.119 110 L CA 0.291 55.172 54.840 0.068 0.000 1.026 110 L CB 0.703 42.798 42.059 0.059 0.000 1.370 110 L HN 0.797 nan 8.230 nan 0.000 0.426 111 S N 4.219 120.045 115.700 0.209 0.000 2.462 111 S HA 0.606 5.083 4.470 0.011 0.000 0.294 111 S C -2.390 172.291 174.600 0.135 0.000 1.144 111 S CA -1.471 56.859 58.200 0.216 0.000 1.088 111 S CB 1.114 64.461 63.200 0.244 0.000 1.009 111 S HN 0.290 nan 8.310 nan 0.000 0.484 112 P HA 0.319 nan 4.420 nan 0.000 0.274 112 P C -1.133 176.164 177.300 -0.006 0.000 1.231 112 P CA -0.382 62.766 63.100 0.080 0.000 0.790 112 P CB 0.520 32.276 31.700 0.093 0.000 0.951 113 L N 0.925 122.109 121.223 -0.066 0.000 2.341 113 L HA 0.510 4.856 4.340 0.011 0.000 0.267 113 L C 0.077 176.751 176.870 -0.327 0.000 1.009 113 L CA -0.743 53.929 54.840 -0.281 0.000 0.819 113 L CB 1.710 43.468 42.059 -0.501 0.000 1.323 113 L HN 0.225 nan 8.230 nan 0.000 0.425 114 D N 0.352 120.540 120.400 -0.354 0.000 2.454 114 D HA 0.318 4.965 4.640 0.011 0.000 0.225 114 D C -0.326 175.853 176.300 -0.201 0.000 1.081 114 D CA -0.199 53.660 54.000 -0.235 0.000 0.864 114 D CB 0.592 41.264 40.800 -0.214 0.000 1.040 114 D HN 0.277 nan 8.370 nan 0.000 0.517 115 F N 2.160 122.274 119.950 0.273 0.000 2.663 115 F HA 0.275 4.809 4.527 0.012 0.000 0.299 115 F C 2.178 178.161 175.800 0.305 0.000 1.143 115 F CA -0.352 57.835 58.000 0.311 0.000 1.387 115 F CB 0.161 39.315 39.000 0.256 0.000 1.019 115 F HN 0.278 nan 8.300 nan 0.000 0.523 116 R N 0.527 121.151 120.500 0.207 0.000 2.120 116 R HA 0.003 4.350 4.340 0.011 0.000 0.234 116 R C 1.152 177.350 176.300 -0.170 0.000 1.123 116 R CA 1.084 57.166 56.100 -0.030 0.000 0.975 116 R CB 0.080 30.208 30.300 -0.287 0.000 0.866 116 R HN 0.205 nan 8.270 nan 0.000 0.446 117 R N -0.393 120.055 120.500 -0.087 0.000 2.791 117 R HA 0.027 4.373 4.340 0.011 0.000 0.357 117 R C 0.207 176.640 176.300 0.222 0.000 1.173 117 R CA -0.282 55.765 56.100 -0.089 0.000 1.060 117 R CB 0.211 30.236 30.300 -0.459 0.000 1.406 117 R HN 0.165 nan 8.270 nan 0.000 0.580 118 Y N 3.686 124.135 120.300 0.247 0.000 1.891 118 Y HA -0.317 4.240 4.550 0.011 0.000 0.206 118 Y C -1.062 174.921 175.900 0.137 0.000 1.161 118 Y CA 2.462 60.739 58.100 0.296 0.000 0.966 118 Y CB -1.524 37.130 38.460 0.324 0.000 0.784 118 Y HN 0.096 nan 8.280 nan 0.000 0.549 119 P HA -0.052 nan 4.420 nan 0.000 0.225 119 P C 0.102 176.804 177.300 -0.996 0.000 1.156 119 P CA 1.522 63.983 63.100 -1.065 0.000 0.787 119 P CB -0.242 30.902 31.700 -0.926 0.000 0.802 120 F N 1.139 121.002 119.950 -0.144 0.000 2.701 120 F HA 0.253 4.786 4.527 0.011 0.000 0.315 120 F C 0.419 176.124 175.800 -0.159 0.000 1.277 120 F CA -1.143 56.758 58.000 -0.165 0.000 1.180 120 F CB -0.158 38.793 39.000 -0.083 0.000 1.273 120 F HN -0.127 nan 8.300 nan 0.000 0.532 121 D N -0.840 119.530 120.400 -0.051 0.000 2.342 121 D HA 0.454 5.101 4.640 0.011 0.000 0.243 121 D C -0.590 175.719 176.300 0.015 0.000 1.019 121 D CA -0.628 53.352 54.000 -0.033 0.000 0.864 121 D CB 2.084 42.906 40.800 0.036 0.000 1.315 121 D HN -0.048 nan 8.370 nan 0.000 0.468 122 S N 0.451 116.158 115.700 0.012 0.000 2.578 122 S HA 0.496 4.973 4.470 0.011 0.000 0.301 122 S C -0.812 173.812 174.600 0.040 0.000 1.091 122 S CA -0.677 57.564 58.200 0.068 0.000 1.032 122 S CB 1.384 64.595 63.200 0.019 0.000 1.064 122 S HN 0.369 nan 8.310 nan 0.000 0.508 123 Q N 1.050 120.876 119.800 0.043 0.000 2.433 123 Q HA 0.506 4.853 4.340 0.011 0.000 0.279 123 Q C -0.751 175.139 176.000 -0.183 0.000 1.105 123 Q CA -0.540 55.201 55.803 -0.103 0.000 0.815 123 Q CB 1.981 30.587 28.738 -0.220 0.000 1.403 123 Q HN 0.675 nan 8.270 nan 0.000 0.435 124 T N 1.258 115.674 114.554 -0.229 0.000 2.963 124 T HA 0.610 4.967 4.350 0.011 0.000 0.328 124 T C -0.616 173.819 174.700 -0.442 0.000 1.048 124 T CA -0.432 61.490 62.100 -0.295 0.000 1.033 124 T CB -0.227 68.514 68.868 -0.212 0.000 1.010 124 T HN 0.377 nan 8.240 nan 0.000 0.469 125 L N 4.570 125.490 121.223 -0.505 0.000 2.421 125 L HA 0.634 4.980 4.340 0.011 0.000 0.263 125 L C 0.498 177.057 176.870 -0.520 0.000 1.122 125 L CA -1.155 53.399 54.840 -0.477 0.000 0.804 125 L CB 0.845 42.491 42.059 -0.688 0.000 1.150 125 L HN 0.585 nan 8.230 nan 0.000 0.457 126 H N 1.890 120.954 119.070 -0.010 0.000 2.717 126 H HA 0.600 5.163 4.556 0.011 0.000 0.366 126 H C -0.897 174.365 175.328 -0.110 0.000 1.132 126 H CA -0.482 55.484 56.048 -0.137 0.000 1.180 126 H CB 2.697 32.282 29.762 -0.295 0.000 1.678 126 H HN 0.369 nan 8.280 nan 0.000 0.537 127 I N 1.710 122.231 120.570 -0.080 0.000 2.730 127 I HA 0.116 4.293 4.170 0.011 0.000 0.298 127 I C -0.415 175.569 176.117 -0.222 0.000 1.089 127 I CA -0.510 60.798 61.300 0.013 0.000 1.041 127 I CB 2.168 40.319 38.000 0.253 0.000 1.235 127 I HN 0.493 nan 8.210 nan 0.000 0.423 128 Y N 3.431 123.744 120.300 0.022 0.000 2.697 128 Y HA 0.331 4.888 4.550 0.011 0.000 0.268 128 Y C 0.124 175.922 175.900 -0.171 0.000 1.092 128 Y CA -0.071 58.011 58.100 -0.030 0.000 1.304 128 Y CB 0.252 38.724 38.460 0.019 0.000 1.446 128 Y HN 0.257 nan 8.280 nan 0.000 0.491 129 L N 1.477 122.541 121.223 -0.265 0.000 3.546 129 L HA -0.216 4.131 4.340 0.011 0.000 0.668 129 L C -0.372 176.472 176.870 -0.043 0.000 1.139 129 L CA 0.224 54.907 54.840 -0.261 0.000 1.122 129 L CB -2.105 39.794 42.059 -0.267 0.000 1.545 129 L HN 0.181 nan 8.230 nan 0.000 0.851 130 I N -1.503 119.056 120.570 -0.018 0.000 3.156 130 I HA 0.780 4.957 4.170 0.011 0.000 0.306 130 I C 0.532 176.641 176.117 -0.013 0.000 1.048 130 I CA -0.911 60.396 61.300 0.011 0.000 1.207 130 I CB 1.555 39.553 38.000 -0.003 0.000 1.456 130 I HN 0.112 nan 8.210 nan 0.000 0.616 131 V N 2.390 122.305 119.914 0.001 0.000 2.697 131 V HA 0.376 4.503 4.120 0.011 0.000 0.296 131 V C -0.686 175.408 176.094 -0.001 0.000 1.140 131 V CA -0.487 61.801 62.300 -0.020 0.000 0.921 131 V CB 1.673 33.473 31.823 -0.039 0.000 1.036 131 V HN 0.888 nan 8.190 nan 0.000 0.438 132 R N 3.939 124.434 120.500 -0.009 0.000 2.459 132 R HA 0.695 5.042 4.340 0.011 0.000 0.281 132 R C 0.086 176.393 176.300 0.011 0.000 1.050 132 R CA -0.118 55.984 56.100 0.003 0.000 1.055 132 R CB 1.446 31.742 30.300 -0.006 0.000 1.045 132 R HN 0.826 nan 8.270 nan 0.000 0.495 133 S N 0.988 116.696 115.700 0.014 0.000 2.707 133 S HA 0.325 4.802 4.470 0.011 0.000 0.276 133 S C 0.415 175.022 174.600 0.012 0.000 1.179 133 S CA -1.002 57.206 58.200 0.014 0.000 0.992 133 S CB 1.863 65.066 63.200 0.005 0.000 1.030 133 S HN 0.483 nan 8.310 nan 0.000 0.554 134 V N 0.270 120.187 119.914 0.004 0.000 4.508 134 V HA 0.204 4.331 4.120 0.011 0.000 0.169 134 V C 0.654 176.736 176.094 -0.020 0.000 1.084 134 V CA 0.502 62.801 62.300 -0.000 0.000 1.371 134 V CB -0.426 31.406 31.823 0.016 0.000 1.878 134 V HN 0.962 nan 8.190 nan 0.000 0.506 135 D N -1.202 119.173 120.400 -0.041 0.000 2.453 135 D HA 0.092 4.739 4.640 0.011 0.000 0.256 135 D C 0.319 176.582 176.300 -0.062 0.000 1.152 135 D CA 0.367 54.339 54.000 -0.047 0.000 0.818 135 D CB 0.177 40.946 40.800 -0.051 0.000 1.259 135 D HN 0.415 nan 8.370 nan 0.000 0.531 136 T N 0.762 115.266 114.554 -0.084 0.000 2.907 136 T HA 0.497 4.854 4.350 0.011 0.000 0.284 136 T C 0.028 174.692 174.700 -0.059 0.000 1.004 136 T CA -0.871 61.177 62.100 -0.087 0.000 1.063 136 T CB 1.702 70.486 68.868 -0.140 0.000 0.992 136 T HN -0.085 nan 8.240 nan 0.000 0.483 137 R N 2.075 122.550 120.500 -0.043 0.000 2.531 137 R HA 0.389 4.736 4.340 0.011 0.000 0.273 137 R C -0.452 175.836 176.300 -0.019 0.000 1.070 137 R CA -0.652 55.434 56.100 -0.024 0.000 1.112 137 R CB 0.106 30.394 30.300 -0.019 0.000 1.049 137 R HN 0.608 nan 8.270 nan 0.000 0.508 138 N N 0.984 119.682 118.700 -0.004 0.000 2.446 138 N HA 0.397 5.143 4.740 0.011 0.000 0.265 138 N C -0.701 174.813 175.510 0.006 0.000 0.975 138 N CA -0.260 52.794 53.050 0.006 0.000 0.928 138 N CB 1.612 40.110 38.487 0.018 0.000 1.160 138 N HN 0.350 nan 8.380 nan 0.000 0.495 139 I N 2.538 123.113 120.570 0.009 0.000 2.377 139 I HA 0.358 4.535 4.170 0.011 0.000 0.293 139 I C 0.008 176.138 176.117 0.021 0.000 0.987 139 I CA -1.095 60.210 61.300 0.008 0.000 1.185 139 I CB 1.288 39.288 38.000 0.000 0.000 1.341 139 I HN 0.218 nan 8.210 nan 0.000 0.455 140 V N 5.423 125.350 119.914 0.021 0.000 2.997 140 V HA 0.690 4.817 4.120 0.011 0.000 0.311 140 V C -0.286 175.827 176.094 0.032 0.000 1.066 140 V CA -0.627 61.694 62.300 0.035 0.000 1.039 140 V CB 1.895 33.740 31.823 0.035 0.000 1.081 140 V HN 0.672 nan 8.190 nan 0.000 0.467 141 L N 0.617 121.868 121.223 0.048 0.000 2.794 141 L HA 0.722 5.069 4.340 0.011 0.000 0.261 141 L C -0.509 176.391 176.870 0.050 0.000 0.989 141 L CA -0.580 54.278 54.840 0.030 0.000 0.900 141 L CB 2.040 44.112 42.059 0.023 0.000 1.473 141 L HN 1.036 nan 8.230 nan 0.000 0.414 142 A N 1.614 124.444 122.820 0.018 0.000 2.309 142 A HA 0.708 5.035 4.320 0.011 0.000 0.298 142 A C -0.853 176.759 177.584 0.047 0.000 1.165 142 A CA -0.379 51.682 52.037 0.041 0.000 0.821 142 A CB 1.133 20.102 19.000 -0.051 0.000 1.102 142 A HN 0.330 nan 8.150 nan 0.000 0.500 143 V N 3.348 123.310 119.914 0.080 0.000 2.277 143 V HA 0.153 4.280 4.120 0.011 0.000 0.269 143 V C -0.155 175.977 176.094 0.064 0.000 1.036 143 V CA -0.494 61.844 62.300 0.063 0.000 0.821 143 V CB 0.786 32.650 31.823 0.067 0.000 1.052 143 V HN 0.914 nan 8.190 nan 0.000 0.462 144 D N 3.428 123.851 120.400 0.039 0.000 2.407 144 D HA -0.059 4.588 4.640 0.011 0.000 0.234 144 D C 1.524 177.853 176.300 0.049 0.000 1.029 144 D CA 0.738 54.758 54.000 0.032 0.000 0.937 144 D CB 0.423 41.227 40.800 0.007 0.000 0.882 144 D HN 0.509 nan 8.370 nan 0.000 0.531 145 L N -0.223 121.034 121.223 0.057 0.000 2.354 145 L HA 0.040 4.387 4.340 0.011 0.000 0.212 145 L C 1.815 178.739 176.870 0.090 0.000 1.091 145 L CA 0.616 55.493 54.840 0.062 0.000 0.828 145 L CB 0.177 42.261 42.059 0.041 0.000 0.973 145 L HN -0.212 nan 8.230 nan 0.000 0.461 146 E N -0.308 119.952 120.200 0.101 0.000 2.474 146 E HA -0.058 4.299 4.350 0.011 0.000 0.194 146 E C 1.738 178.458 176.600 0.201 0.000 1.041 146 E CA 0.109 56.594 56.400 0.142 0.000 0.874 146 E CB 0.330 30.101 29.700 0.117 0.000 0.914 146 E HN 0.080 nan 8.360 nan 0.000 0.498 147 K N 0.782 121.272 120.400 0.151 0.000 2.354 147 K HA 0.013 4.340 4.320 0.011 0.000 0.194 147 K C 1.200 177.813 176.600 0.022 0.000 1.038 147 K CA 0.582 56.934 56.287 0.108 0.000 1.052 147 K CB 0.553 33.107 32.500 0.089 0.000 0.861 147 K HN 0.143 nan 8.250 nan 0.000 0.535 148 V N -0.064 119.909 119.914 0.098 0.000 3.440 148 V HA 0.101 4.228 4.120 0.011 0.000 0.274 148 V C 1.016 177.186 176.094 0.127 0.000 1.207 148 V CA 0.399 62.758 62.300 0.097 0.000 1.183 148 V CB -1.839 30.058 31.823 0.123 0.000 0.837 148 V HN 0.192 nan 8.190 nan 0.000 0.532 149 G N 1.348 110.236 108.800 0.147 0.000 2.138 149 G HA2 0.265 4.232 3.960 0.011 0.000 0.263 149 G HA3 0.265 4.232 3.960 0.011 0.000 0.263 149 G C -0.010 174.795 174.900 -0.158 0.000 1.103 149 G CA 0.419 45.451 45.100 -0.113 0.000 1.014 149 G HN 0.850 nan 8.290 nan 0.000 0.418 150 K N 2.557 122.562 120.400 -0.658 0.000 2.399 150 K HA -0.064 4.263 4.320 0.011 0.000 0.362 150 K C -0.576 175.814 176.600 -0.350 0.000 1.480 150 K CA -0.574 55.546 56.287 -0.278 0.000 1.220 150 K CB -0.382 32.133 32.500 0.025 0.000 1.430 150 K HN 0.599 nan 8.250 nan 0.000 0.456 151 N N 1.185 119.695 118.700 -0.316 0.000 2.263 151 N HA 0.049 4.796 4.740 0.011 0.000 0.239 151 N C -0.111 175.386 175.510 -0.020 0.000 1.317 151 N CA 0.064 53.074 53.050 -0.066 0.000 0.909 151 N CB 0.465 38.965 38.487 0.021 0.000 1.171 151 N HN 0.408 nan 8.380 nan 0.000 0.492 152 D N 0.054 120.466 120.400 0.020 0.000 2.434 152 D HA 0.090 4.737 4.640 0.011 0.000 0.232 152 D C -0.503 175.786 176.300 -0.018 0.000 1.166 152 D CA 0.475 54.478 54.000 0.006 0.000 0.830 152 D CB 0.083 40.894 40.800 0.018 0.000 0.960 152 D HN 0.375 nan 8.370 nan 0.000 0.497 153 D N -0.571 119.813 120.400 -0.026 0.000 2.525 153 D HA 0.020 4.667 4.640 0.011 0.000 0.231 153 D C 0.532 176.807 176.300 -0.042 0.000 1.216 153 D CA -0.002 53.966 54.000 -0.054 0.000 0.813 153 D CB 1.437 42.209 40.800 -0.047 0.000 1.108 153 D HN 0.002 nan 8.370 nan 0.000 0.524 154 V N 0.491 120.397 119.914 -0.014 0.000 2.814 154 V HA 0.030 4.157 4.120 0.011 0.000 0.307 154 V C 1.291 177.450 176.094 0.108 0.000 1.089 154 V CA 0.079 62.398 62.300 0.031 0.000 1.212 154 V CB 0.491 32.306 31.823 -0.013 0.000 0.912 154 V HN -0.002 nan 8.190 nan 0.000 0.497 155 F N 2.819 122.774 119.950 0.008 0.000 2.414 155 F HA 0.373 4.906 4.527 0.011 0.000 0.255 155 F C 0.963 176.791 175.800 0.045 0.000 1.032 155 F CA -0.335 57.682 58.000 0.029 0.000 1.049 155 F CB 0.313 39.341 39.000 0.048 0.000 1.140 155 F HN 0.499 nan 8.300 nan 0.000 0.643 156 L N 2.786 124.158 121.223 0.249 0.000 3.721 156 L HA -0.171 4.176 4.340 0.011 0.000 0.625 156 L C -0.191 176.734 176.870 0.091 0.000 1.186 156 L CA 0.714 55.593 54.840 0.065 0.000 0.961 156 L CB -2.254 39.823 42.059 0.030 0.000 1.418 156 L HN 0.510 nan 8.230 nan 0.000 0.838 157 T N -0.196 114.212 114.554 -0.243 0.000 2.819 157 T HA 0.375 4.732 4.350 0.011 0.000 0.282 157 T C 1.555 176.319 174.700 0.107 0.000 1.013 157 T CA 0.361 62.355 62.100 -0.176 0.000 1.159 157 T CB 0.591 69.256 68.868 -0.339 0.000 1.007 157 T HN 2.018 nan 8.240 nan 0.000 0.514 158 G N 1.814 110.655 108.800 0.069 0.000 2.155 158 G HA2 -0.224 3.743 3.960 0.011 0.000 0.257 158 G HA3 -0.224 3.743 3.960 0.011 0.000 0.257 158 G C -0.312 174.428 174.900 -0.266 0.000 0.983 158 G CA -0.066 44.996 45.100 -0.064 0.000 0.676 158 G HN 0.814 nan 8.290 nan 0.000 0.528 159 W N 0.539 121.817 121.300 -0.036 0.000 2.739 159 W HA 0.585 5.252 4.660 0.012 0.000 0.331 159 W C -0.459 176.036 176.519 -0.039 0.000 1.049 159 W CA -1.021 56.291 57.345 -0.054 0.000 1.234 159 W CB 1.219 30.634 29.460 -0.076 0.000 1.404 159 W HN -0.061 nan 8.180 nan 0.000 0.477 160 D N 3.009 123.496 120.400 0.144 0.000 2.304 160 D HA 0.337 4.984 4.640 0.011 0.000 0.250 160 D C -0.206 176.164 176.300 0.117 0.000 1.107 160 D CA 0.047 54.100 54.000 0.088 0.000 0.885 160 D CB 1.412 42.227 40.800 0.025 0.000 1.192 160 D HN 0.188 nan 8.370 nan 0.000 0.436 161 I N 1.801 122.411 120.570 0.067 0.000 2.354 161 I HA 0.111 4.288 4.170 0.011 0.000 0.292 161 I C 1.146 177.273 176.117 0.017 0.000 0.989 161 I CA -0.409 60.907 61.300 0.026 0.000 1.188 161 I CB 1.782 39.782 38.000 -0.001 0.000 1.342 161 I HN 0.212 nan 8.210 nan 0.000 0.457 162 E N 2.719 122.923 120.200 0.006 0.000 2.162 162 E HA 0.096 4.453 4.350 0.011 0.000 0.193 162 E C -0.340 176.272 176.600 0.020 0.000 0.953 162 E CA 0.511 56.919 56.400 0.013 0.000 0.849 162 E CB 0.534 30.241 29.700 0.012 0.000 0.810 162 E HN 0.700 nan 8.360 nan 0.000 0.470 163 S N -1.038 114.676 115.700 0.024 0.000 2.602 163 S HA 0.247 4.724 4.470 0.011 0.000 0.301 163 S C -1.279 173.408 174.600 0.146 0.000 1.091 163 S CA -0.853 57.387 58.200 0.068 0.000 0.895 163 S CB -0.425 62.805 63.200 0.050 0.000 1.090 163 S HN 0.149 nan 8.310 nan 0.000 0.449 164 F N 4.048 123.988 119.950 -0.018 0.000 2.334 164 F HA 0.557 5.091 4.527 0.012 0.000 0.367 164 F C 0.579 176.397 175.800 0.031 0.000 1.115 164 F CA -0.207 57.796 58.000 0.004 0.000 1.116 164 F CB 0.879 39.884 39.000 0.008 0.000 1.230 164 F HN 0.984 nan 8.300 nan 0.000 0.484 165 T N 2.365 117.024 114.554 0.175 0.000 2.718 165 T HA 0.931 5.288 4.350 0.011 0.000 0.267 165 T C -0.739 173.889 174.700 -0.120 0.000 0.957 165 T CA -0.986 61.094 62.100 -0.033 0.000 1.025 165 T CB 1.892 70.761 68.868 0.001 0.000 1.355 165 T HN 0.700 nan 8.240 nan 0.000 0.572 166 A N -0.065 122.646 122.820 -0.182 0.000 2.594 166 A HA 0.588 4.915 4.320 0.011 0.000 0.296 166 A C -1.003 176.439 177.584 -0.236 0.000 1.056 166 A CA -0.826 51.022 52.037 -0.316 0.000 0.693 166 A CB 1.143 19.652 19.000 -0.819 0.000 1.278 166 A HN 0.880 nan 8.150 nan 0.000 0.408 167 V N 4.023 123.823 119.914 -0.190 0.000 2.377 167 V HA 0.110 4.237 4.120 0.011 0.000 0.254 167 V C 1.964 177.984 176.094 -0.124 0.000 1.060 167 V CA 0.581 62.816 62.300 -0.109 0.000 1.068 167 V CB -0.149 31.647 31.823 -0.046 0.000 1.113 167 V HN 1.290 nan 8.190 nan 0.000 0.484 168 V N 2.843 122.694 119.914 -0.105 0.000 2.250 168 V HA -0.207 3.920 4.120 0.011 0.000 0.253 168 V C 1.172 177.225 176.094 -0.068 0.000 1.065 168 V CA 1.326 63.573 62.300 -0.088 0.000 1.039 168 V CB -0.690 31.096 31.823 -0.061 0.000 0.647 168 V HN 0.717 nan 8.190 nan 0.000 0.446 169 K N 2.874 123.240 120.400 -0.057 0.000 2.316 169 K HA 0.369 4.696 4.320 0.011 0.000 0.289 169 K C -2.191 174.376 176.600 -0.055 0.000 1.070 169 K CA -1.435 54.822 56.287 -0.051 0.000 0.928 169 K CB 0.766 33.238 32.500 -0.048 0.000 1.039 169 K HN 0.465 nan 8.250 nan 0.000 0.480 170 P HA 0.163 nan 4.420 nan 0.000 0.277 170 P C -1.090 176.147 177.300 -0.105 0.000 1.271 170 P CA -0.638 62.430 63.100 -0.055 0.000 0.795 170 P CB 0.741 32.418 31.700 -0.038 0.000 1.101 171 A N 1.321 124.051 122.820 -0.151 0.000 2.291 171 A HA 0.457 4.784 4.320 0.011 0.000 0.311 171 A C -0.537 176.762 177.584 -0.476 0.000 1.224 171 A CA -0.590 51.235 52.037 -0.353 0.000 0.821 171 A CB -0.229 18.496 19.000 -0.458 0.000 1.172 171 A HN 0.424 nan 8.150 nan 0.000 0.494 172 N N 2.008 120.464 118.700 -0.406 0.000 2.439 172 N HA 0.519 5.266 4.740 0.011 0.000 0.249 172 N C -1.013 174.287 175.510 -0.349 0.000 1.003 172 N CA 0.113 52.997 53.050 -0.276 0.000 0.942 172 N CB 0.379 38.786 38.487 -0.134 0.000 1.115 172 N HN 0.515 nan 8.380 nan 0.000 0.505 173 F N 0.430 120.358 119.950 -0.036 0.000 2.380 173 F HA 0.565 5.099 4.527 0.011 0.000 0.321 173 F C 1.001 176.782 175.800 -0.032 0.000 1.103 173 F CA -1.131 56.847 58.000 -0.038 0.000 1.067 173 F CB 0.947 39.918 39.000 -0.048 0.000 1.265 173 F HN 0.337 nan 8.300 nan 0.000 0.517 174 A N 2.801 125.738 122.820 0.196 0.000 2.582 174 A HA 0.572 4.898 4.320 0.011 0.000 0.336 174 A C -1.290 176.346 177.584 0.086 0.000 1.445 174 A CA -0.348 51.750 52.037 0.101 0.000 0.997 174 A CB -0.165 18.869 19.000 0.058 0.000 1.148 174 A HN 0.550 nan 8.150 nan 0.000 0.514 175 L N 2.142 123.402 121.223 0.062 0.000 2.384 175 L HA 0.418 4.765 4.340 0.011 0.000 0.261 175 L C 0.023 176.891 176.870 -0.003 0.000 1.024 175 L CA 0.214 55.058 54.840 0.007 0.000 0.899 175 L CB -0.453 41.585 42.059 -0.035 0.000 1.243 175 L HN 0.853 nan 8.230 nan 0.000 0.449 176 E N 2.822 123.019 120.200 -0.006 0.000 2.266 176 E HA -0.266 4.090 4.350 0.011 0.000 0.209 176 E C 0.030 176.628 176.600 -0.004 0.000 1.286 176 E CA 0.713 57.108 56.400 -0.009 0.000 0.677 176 E CB -1.096 28.595 29.700 -0.017 0.000 1.173 176 E HN 0.880 nan 8.360 nan 0.000 0.384 177 D N -0.953 119.447 120.400 0.001 0.000 3.070 177 D HA -0.229 4.417 4.640 0.011 0.000 0.220 177 D C -0.223 176.077 176.300 0.001 0.000 1.176 177 D CA 1.865 55.865 54.000 0.000 0.000 0.924 177 D CB -0.102 40.697 40.800 -0.003 0.000 1.124 177 D HN 0.406 nan 8.370 nan 0.000 0.411 178 R N -0.456 120.047 120.500 0.006 0.000 2.548 178 R HA 0.459 4.805 4.340 0.011 0.000 0.280 178 R C -1.092 175.220 176.300 0.021 0.000 1.061 178 R CA -1.048 55.056 56.100 0.008 0.000 0.915 178 R CB 1.270 31.572 30.300 0.004 0.000 1.210 178 R HN 0.062 nan 8.270 nan 0.000 0.442 179 L N -0.018 121.219 121.223 0.023 0.000 2.371 179 L HA 0.523 4.870 4.340 0.011 0.000 0.272 179 L C -0.346 176.554 176.870 0.049 0.000 1.124 179 L CA 0.230 55.096 54.840 0.042 0.000 0.816 179 L CB 0.765 42.839 42.059 0.025 0.000 1.129 179 L HN 0.553 nan 8.230 nan 0.000 0.448 180 E N 1.300 121.556 120.200 0.094 0.000 2.299 180 E HA 0.629 4.986 4.350 0.011 0.000 0.260 180 E C -1.097 175.576 176.600 0.122 0.000 0.944 180 E CA -1.008 55.450 56.400 0.096 0.000 0.815 180 E CB 1.908 31.666 29.700 0.097 0.000 1.252 180 E HN 0.691 nan 8.360 nan 0.000 0.418 181 S N 0.954 116.709 115.700 0.091 0.000 2.647 181 S HA 0.260 4.737 4.470 0.011 0.000 0.300 181 S C -1.239 173.415 174.600 0.090 0.000 1.129 181 S CA -0.755 57.484 58.200 0.064 0.000 1.029 181 S CB 0.596 63.807 63.200 0.018 0.000 1.007 181 S HN 0.405 nan 8.310 nan 0.000 0.484 182 K N 5.786 126.261 120.400 0.126 0.000 2.292 182 K HA 0.569 4.896 4.320 0.011 0.000 0.257 182 K C -1.409 175.270 176.600 0.133 0.000 0.940 182 K CA -0.638 55.748 56.287 0.166 0.000 0.811 182 K CB 0.938 33.630 32.500 0.319 0.000 1.120 182 K HN 0.628 nan 8.250 nan 0.000 0.428 183 L N 2.131 123.449 121.223 0.158 0.000 2.330 183 L HA 0.342 4.689 4.340 0.011 0.000 0.271 183 L C -0.639 176.364 176.870 0.222 0.000 1.013 183 L CA -0.928 53.986 54.840 0.124 0.000 0.816 183 L CB 1.833 43.942 42.059 0.083 0.000 1.287 183 L HN 0.703 nan 8.230 nan 0.000 0.435 184 D N 0.820 121.278 120.400 0.096 0.000 2.461 184 D HA 0.227 4.874 4.640 0.011 0.000 0.240 184 D C -1.287 175.000 176.300 -0.022 0.000 1.094 184 D CA -0.218 53.843 54.000 0.101 0.000 0.868 184 D CB 0.453 41.355 40.800 0.170 0.000 1.062 184 D HN 0.111 nan 8.370 nan 0.000 0.530 185 Y N 2.155 122.468 120.300 0.022 0.000 2.383 185 Y HA 0.276 4.833 4.550 0.011 0.000 0.344 185 Y C 0.686 176.720 175.900 0.223 0.000 0.986 185 Y CA -0.255 57.934 58.100 0.148 0.000 1.175 185 Y CB 1.071 39.679 38.460 0.247 0.000 1.152 185 Y HN 0.188 nan 8.280 nan 0.000 0.511 186 Q N 3.589 123.587 119.800 0.330 0.000 2.314 186 Q HA 0.371 4.718 4.340 0.011 0.000 0.259 186 Q C -1.368 174.757 176.000 0.207 0.000 0.951 186 Q CA -1.004 54.884 55.803 0.141 0.000 0.909 186 Q CB 1.814 30.585 28.738 0.054 0.000 1.236 186 Q HN 0.483 nan 8.270 nan 0.000 0.444 187 L N 3.837 125.000 121.223 -0.100 0.000 2.294 187 L HA 0.368 4.715 4.340 0.011 0.000 0.283 187 L C -0.942 175.765 176.870 -0.271 0.000 1.015 187 L CA -0.141 54.548 54.840 -0.252 0.000 0.831 187 L CB 0.849 42.590 42.059 -0.531 0.000 1.217 187 L HN 0.430 nan 8.230 nan 0.000 0.420 188 R N 6.388 126.794 120.500 -0.157 0.000 2.265 188 R HA 0.644 4.991 4.340 0.011 0.000 0.319 188 R C -0.753 175.476 176.300 -0.119 0.000 1.006 188 R CA -0.451 55.567 56.100 -0.137 0.000 0.880 188 R CB 1.224 31.485 30.300 -0.064 0.000 1.077 188 R HN 0.818 nan 8.270 nan 0.000 0.454 189 I N -1.602 118.901 120.570 -0.112 0.000 2.865 189 I HA 0.528 4.705 4.170 0.011 0.000 0.302 189 I C -0.386 175.837 176.117 0.176 0.000 1.140 189 I CA -0.902 60.403 61.300 0.008 0.000 1.021 189 I CB 2.459 40.407 38.000 -0.086 0.000 1.233 189 I HN 0.407 nan 8.210 nan 0.000 0.427 190 S N 3.468 119.318 115.700 0.249 0.000 2.503 190 S HA 0.580 5.056 4.470 0.011 0.000 0.301 190 S C -0.446 174.238 174.600 0.141 0.000 1.087 190 S CA -0.810 57.510 58.200 0.200 0.000 1.042 190 S CB 1.905 65.162 63.200 0.095 0.000 1.043 190 S HN 0.895 nan 8.310 nan 0.000 0.489 191 R N 2.075 122.445 120.500 -0.217 0.000 2.490 191 R HA 0.209 4.556 4.340 0.011 0.000 0.280 191 R C -0.126 175.885 176.300 -0.481 0.000 1.077 191 R CA -0.088 55.504 56.100 -0.847 0.000 1.065 191 R CB 0.322 29.943 30.300 -1.131 0.000 1.003 191 R HN 0.780 nan 8.270 nan 0.000 0.470 192 Q N 4.309 123.767 119.800 -0.569 0.000 2.837 192 Q HA 0.030 4.377 4.340 0.011 0.000 0.235 192 Q C -1.022 174.637 176.000 -0.567 0.000 1.348 192 Q CA -0.242 55.280 55.803 -0.469 0.000 0.990 192 Q CB -0.120 28.421 28.738 -0.329 0.000 1.570 192 Q HN 0.465 nan 8.270 nan 0.000 0.575 193 Y N -0.702 119.266 120.300 -0.552 0.000 2.497 193 Y HA 0.215 4.772 4.550 0.011 0.000 0.334 193 Y C 0.308 176.129 175.900 -0.133 0.000 1.199 193 Y CA -0.350 57.335 58.100 -0.691 0.000 1.425 193 Y CB 0.310 38.324 38.460 -0.744 0.000 1.291 193 Y HN 0.494 nan 8.280 nan 0.000 0.562 194 F N 0.466 120.301 119.950 -0.191 0.000 1.765 194 F HA -0.159 4.375 4.527 0.012 0.000 0.251 194 F C 1.654 177.498 175.800 0.072 0.000 1.269 194 F CA 0.884 58.842 58.000 -0.070 0.000 1.236 194 F CB -0.992 37.868 39.000 -0.234 0.000 2.076 194 F HN 0.406 nan 8.300 nan 0.000 0.106 195 S N 0.848 116.720 115.700 0.286 0.000 2.571 195 S HA -0.149 4.328 4.470 0.011 0.000 0.245 195 S C 1.347 176.045 174.600 0.164 0.000 0.976 195 S CA 1.413 59.720 58.200 0.178 0.000 0.954 195 S CB -0.962 62.414 63.200 0.293 0.000 0.756 195 S HN 0.564 nan 8.310 nan 0.000 0.535 196 Y N 0.837 121.066 120.300 -0.118 0.000 2.457 196 Y HA 0.308 4.864 4.550 0.012 0.000 0.292 196 Y C 1.864 177.691 175.900 -0.121 0.000 1.125 196 Y CA -0.753 57.273 58.100 -0.123 0.000 1.254 196 Y CB -0.493 37.846 38.460 -0.201 0.000 1.012 196 Y HN 0.291 nan 8.280 nan 0.000 0.555 197 I N 0.067 120.623 120.570 -0.023 0.000 2.270 197 I HA -0.093 4.084 4.170 0.011 0.000 0.239 197 I C -0.709 175.310 176.117 -0.164 0.000 1.080 197 I CA 0.635 61.878 61.300 -0.095 0.000 1.383 197 I CB -1.205 36.719 38.000 -0.126 0.000 1.097 197 I HN -0.050 nan 8.210 nan 0.000 0.420 198 P HA -0.011 nan 4.420 nan 0.000 0.237 198 P C 0.579 177.831 177.300 -0.080 0.000 1.178 198 P CA 1.224 64.237 63.100 -0.146 0.000 0.766 198 P CB 0.038 31.642 31.700 -0.159 0.000 0.876 199 N N -1.945 116.710 118.700 -0.075 0.000 2.317 199 N HA 0.156 4.903 4.740 0.011 0.000 0.199 199 N C 0.959 176.490 175.510 0.035 0.000 1.145 199 N CA 0.369 53.412 53.050 -0.012 0.000 0.882 199 N CB 0.858 39.328 38.487 -0.029 0.000 1.113 199 N HN 0.079 nan 8.380 nan 0.000 0.486 200 I N 0.244 120.777 120.570 -0.061 0.000 3.990 200 I HA 0.118 4.295 4.170 0.011 0.000 0.275 200 I C 1.795 177.775 176.117 -0.228 0.000 1.157 200 I CA 0.123 61.379 61.300 -0.073 0.000 1.338 200 I CB -0.257 37.702 38.000 -0.070 0.000 1.588 200 I HN -0.189 nan 8.210 nan 0.000 0.441 201 I N 1.544 122.024 120.570 -0.150 0.000 2.110 201 I HA -0.199 3.978 4.170 0.011 0.000 0.236 201 I C 2.736 178.668 176.117 -0.309 0.000 1.068 201 I CA 1.507 62.718 61.300 -0.148 0.000 1.333 201 I CB -0.991 37.002 38.000 -0.012 0.000 1.054 201 I HN 0.139 nan 8.210 nan 0.000 0.402 202 L N 0.678 121.698 121.223 -0.339 0.000 1.955 202 L HA -0.178 4.168 4.340 0.011 0.000 0.213 202 L C 0.117 176.519 176.870 -0.780 0.000 1.072 202 L CA 2.306 56.792 54.840 -0.590 0.000 0.755 202 L CB -2.343 39.414 42.059 -0.503 0.000 0.888 202 L HN 0.144 nan 8.230 nan 0.000 0.432 203 P HA -0.229 nan 4.420 nan 0.000 0.216 203 P C 1.920 178.781 177.300 -0.731 0.000 1.154 203 P CA 1.662 64.473 63.100 -0.481 0.000 0.865 203 P CB -0.057 31.449 31.700 -0.323 0.000 0.789 204 M N -1.691 117.350 119.600 -0.931 0.000 2.149 204 M HA -0.169 4.318 4.480 0.011 0.000 0.261 204 M C 1.944 177.928 176.300 -0.527 0.000 1.064 204 M CA 1.719 56.547 55.300 -0.787 0.000 1.102 204 M CB -0.569 31.688 32.600 -0.571 0.000 1.369 204 M HN -0.064 nan 8.290 nan 0.000 0.408 205 L N -1.091 119.775 121.223 -0.595 0.000 2.005 205 L HA -0.205 4.142 4.340 0.011 0.000 0.207 205 L C 2.208 178.503 176.870 -0.958 0.000 1.072 205 L CA 1.495 55.866 54.840 -0.783 0.000 0.744 205 L CB -0.658 40.996 42.059 -0.675 0.000 0.895 205 L HN 0.260 nan 8.230 nan 0.000 0.433 206 F N 0.557 120.152 119.950 -0.592 0.000 2.087 206 F HA -0.358 4.176 4.527 0.012 0.000 0.299 206 F C 2.528 178.115 175.800 -0.355 0.000 1.100 206 F CA 1.483 59.257 58.000 -0.377 0.000 1.226 206 F CB -0.505 38.388 39.000 -0.179 0.000 0.983 206 F HN 0.165 nan 8.300 nan 0.000 0.479 207 I N -0.983 119.511 120.570 -0.127 0.000 2.361 207 I HA -0.236 3.941 4.170 0.011 0.000 0.251 207 I C 2.231 178.197 176.117 -0.252 0.000 1.133 207 I CA 1.304 62.539 61.300 -0.108 0.000 1.413 207 I CB -0.635 37.356 38.000 -0.016 0.000 1.073 207 I HN 0.151 nan 8.210 nan 0.000 0.424 208 L N 0.342 121.269 121.223 -0.495 0.000 2.141 208 L HA -0.072 4.275 4.340 0.011 0.000 0.209 208 L C 2.098 178.358 176.870 -1.017 0.000 1.094 208 L CA 1.794 56.135 54.840 -0.831 0.000 0.763 208 L CB -0.583 40.878 42.059 -0.996 0.000 0.908 208 L HN 0.122 nan 8.230 nan 0.000 0.437 209 F N -0.054 119.518 119.950 -0.630 0.000 2.118 209 F HA -0.027 4.506 4.527 0.010 0.000 0.293 209 F C 2.376 177.991 175.800 -0.308 0.000 1.102 209 F CA 0.963 58.679 58.000 -0.473 0.000 1.247 209 F CB -1.167 37.789 39.000 -0.072 0.000 1.017 209 F HN -0.018 nan 8.300 nan 0.000 0.475 210 I N -0.006 120.540 120.570 -0.040 0.000 2.248 210 I HA -0.366 3.810 4.170 0.011 0.000 0.248 210 I C 2.692 178.728 176.117 -0.135 0.000 1.107 210 I CA 1.590 62.848 61.300 -0.070 0.000 1.373 210 I CB -0.832 37.133 38.000 -0.058 0.000 1.055 210 I HN 0.218 nan 8.210 nan 0.000 0.418 211 S N 2.048 117.581 115.700 -0.279 0.000 2.372 211 S HA -0.233 4.243 4.470 0.011 0.000 0.227 211 S C 1.413 175.876 174.600 -0.228 0.000 1.044 211 S CA 2.010 60.007 58.200 -0.338 0.000 1.050 211 S CB -0.546 62.188 63.200 -0.776 0.000 0.901 211 S HN 0.684 nan 8.310 nan 0.000 0.447 212 W N 0.731 121.839 121.300 -0.319 0.000 3.015 212 W HA 0.596 5.262 4.660 0.009 0.000 0.429 212 W C 1.252 177.524 176.519 -0.412 0.000 0.976 212 W CA -0.572 56.425 57.345 -0.580 0.000 2.086 212 W CB -1.469 27.665 29.460 -0.543 0.000 1.125 212 W HN 0.067 nan 8.180 nan 0.000 0.721 213 T N 1.180 115.753 114.554 0.031 0.000 3.051 213 T HA 0.010 4.367 4.350 0.011 0.000 0.269 213 T C 1.765 176.524 174.700 0.098 0.000 1.127 213 T CA 1.802 63.885 62.100 -0.029 0.000 1.107 213 T CB -0.120 68.710 68.868 -0.064 0.000 0.898 213 T HN 0.314 nan 8.240 nan 0.000 0.517 214 A N -0.686 122.128 122.820 -0.009 0.000 2.259 214 A HA 0.340 4.667 4.320 0.011 0.000 0.208 214 A C 1.475 179.195 177.584 0.227 0.000 1.201 214 A CA -0.010 52.065 52.037 0.063 0.000 0.824 214 A CB -0.706 18.293 19.000 -0.002 0.000 0.838 214 A HN 0.669 nan 8.150 nan 0.000 0.485 215 F N -2.148 118.027 119.950 0.376 0.000 2.569 215 F HA -0.004 4.528 4.527 0.009 0.000 0.295 215 F C 1.335 177.185 175.800 0.083 0.000 1.115 215 F CA -0.251 57.847 58.000 0.164 0.000 1.450 215 F CB 0.156 39.180 39.000 0.041 0.000 1.107 215 F HN 0.444 nan 8.300 nan 0.000 0.563 216 W N 1.158 122.540 121.300 0.138 0.000 3.121 216 W HA 0.307 4.972 4.660 0.008 0.000 0.441 216 W C 0.357 176.909 176.519 0.056 0.000 0.878 216 W CA -0.075 57.314 57.345 0.072 0.000 2.101 216 W CB 0.209 29.699 29.460 0.049 0.000 1.067 216 W HN -0.211 nan 8.180 nan 0.000 0.834 217 S N -0.857 114.988 115.700 0.242 0.000 2.556 217 S HA 0.407 4.884 4.470 0.011 0.000 0.271 217 S C 0.609 175.289 174.600 0.133 0.000 1.135 217 S CA -0.312 57.988 58.200 0.167 0.000 0.858 217 S CB 1.847 65.140 63.200 0.155 0.000 1.114 217 S HN -0.038 nan 8.310 nan 0.000 0.468 218 T N 1.586 116.206 114.554 0.111 0.000 3.033 218 T HA 0.136 4.493 4.350 0.011 0.000 0.248 218 T C 0.812 175.601 174.700 0.149 0.000 1.040 218 T CA 0.620 62.784 62.100 0.106 0.000 1.133 218 T CB -0.240 68.671 68.868 0.073 0.000 0.895 218 T HN 0.823 nan 8.240 nan 0.000 0.465 219 S N 1.730 117.513 115.700 0.139 0.000 2.516 219 S HA 0.119 4.596 4.470 0.011 0.000 0.282 219 S C 0.612 175.332 174.600 0.200 0.000 1.286 219 S CA -0.624 57.670 58.200 0.156 0.000 1.066 219 S CB 0.323 63.585 63.200 0.104 0.000 0.884 219 S HN 0.300 nan 8.310 nan 0.000 0.491 220 Y N 2.530 122.864 120.300 0.056 0.000 2.243 220 Y HA 0.033 4.587 4.550 0.006 0.000 0.293 220 Y C 2.335 178.219 175.900 -0.027 0.000 1.124 220 Y CA 1.534 59.616 58.100 -0.030 0.000 1.159 220 Y CB -0.348 37.968 38.460 -0.240 0.000 1.008 220 Y HN 0.796 nan 8.280 nan 0.000 0.527 221 E N 0.478 120.703 120.200 0.041 0.000 2.118 221 E HA -0.172 4.185 4.350 0.011 0.000 0.195 221 E C 1.850 178.418 176.600 -0.053 0.000 0.992 221 E CA 1.363 57.742 56.400 -0.035 0.000 0.804 221 E CB -0.320 29.395 29.700 0.026 0.000 0.741 221 E HN 0.465 nan 8.360 nan 0.000 0.458 222 A N -0.254 122.562 122.820 -0.007 0.000 2.308 222 A HA 0.111 4.438 4.320 0.011 0.000 0.217 222 A C 1.380 178.959 177.584 -0.008 0.000 1.216 222 A CA 0.025 52.059 52.037 -0.005 0.000 0.864 222 A CB 0.036 19.050 19.000 0.022 0.000 0.902 222 A HN 0.056 nan 8.150 nan 0.000 0.499 223 N N -0.609 118.079 118.700 -0.021 0.000 2.236 223 N HA 0.041 4.788 4.740 0.011 0.000 0.196 223 N C 1.447 176.902 175.510 -0.091 0.000 1.114 223 N CA 1.190 54.236 53.050 -0.007 0.000 0.859 223 N CB 0.762 39.304 38.487 0.092 0.000 0.982 223 N HN 0.419 nan 8.380 nan 0.000 0.493 224 V N -3.763 116.033 119.914 -0.196 0.000 2.690 224 V HA 0.110 4.237 4.120 0.011 0.000 0.240 224 V C 1.726 177.760 176.094 -0.100 0.000 1.078 224 V CA 0.878 63.057 62.300 -0.201 0.000 1.102 224 V CB -0.960 30.648 31.823 -0.357 0.000 0.800 224 V HN -0.051 nan 8.190 nan 0.000 0.479 225 T N 1.720 116.219 114.554 -0.091 0.000 2.946 225 T HA -0.071 4.286 4.350 0.011 0.000 0.270 225 T C 1.568 176.252 174.700 -0.027 0.000 1.129 225 T CA 1.865 63.937 62.100 -0.047 0.000 1.103 225 T CB -0.286 68.560 68.868 -0.037 0.000 0.839 225 T HN 0.289 nan 8.240 nan 0.000 0.544 226 L N 0.096 121.301 121.223 -0.030 0.000 2.416 226 L HA 0.157 4.504 4.340 0.011 0.000 0.188 226 L C 2.496 179.360 176.870 -0.011 0.000 1.145 226 L CA 0.903 55.731 54.840 -0.020 0.000 0.826 226 L CB -0.756 41.292 42.059 -0.019 0.000 1.064 226 L HN 0.098 nan 8.230 nan 0.000 0.490 227 V N -0.525 119.383 119.914 -0.010 0.000 2.427 227 V HA -0.185 3.942 4.120 0.011 0.000 0.248 227 V C 2.534 178.692 176.094 0.106 0.000 1.051 227 V CA 1.063 63.374 62.300 0.019 0.000 1.048 227 V CB -0.493 31.351 31.823 0.035 0.000 0.666 227 V HN 0.197 nan 8.190 nan 0.000 0.456 228 V N -0.332 119.619 119.914 0.061 0.000 2.283 228 V HA -0.190 3.937 4.120 0.011 0.000 0.243 228 V C 2.634 178.769 176.094 0.069 0.000 1.039 228 V CA 2.198 64.541 62.300 0.072 0.000 1.016 228 V CB -0.462 31.372 31.823 0.019 0.000 0.650 228 V HN 0.532 nan 8.190 nan 0.000 0.449 229 S N 0.233 115.957 115.700 0.040 0.000 2.402 229 S HA -0.228 4.249 4.470 0.011 0.000 0.233 229 S C 2.115 176.752 174.600 0.062 0.000 1.030 229 S CA 2.108 60.329 58.200 0.035 0.000 1.003 229 S CB -0.365 62.844 63.200 0.016 0.000 0.813 229 S HN 0.903 nan 8.310 nan 0.000 0.477 230 T N 0.089 114.705 114.554 0.104 0.000 2.851 230 T HA 0.074 4.431 4.350 0.011 0.000 0.262 230 T C 1.735 176.547 174.700 0.186 0.000 1.043 230 T CA 0.741 62.939 62.100 0.163 0.000 1.140 230 T CB -0.544 68.428 68.868 0.174 0.000 0.872 230 T HN 0.222 nan 8.240 nan 0.000 0.446 231 L N 1.085 122.421 121.223 0.188 0.000 2.043 231 L HA 0.052 4.399 4.340 0.011 0.000 0.212 231 L C 2.322 179.135 176.870 -0.096 0.000 1.075 231 L CA 1.327 56.044 54.840 -0.204 0.000 0.752 231 L CB -0.824 41.206 42.059 -0.049 0.000 0.891 231 L HN 0.324 nan 8.230 nan 0.000 0.432 232 I N -0.521 120.051 120.570 0.004 0.000 2.069 232 I HA -0.394 3.782 4.170 0.011 0.000 0.237 232 I C 2.511 178.636 176.117 0.012 0.000 1.053 232 I CA 1.612 62.918 61.300 0.011 0.000 1.311 232 I CB -0.631 37.379 38.000 0.016 0.000 1.030 232 I HN 0.392 nan 8.210 nan 0.000 0.398 233 A N -0.544 122.302 122.820 0.043 0.000 2.093 233 A HA -0.332 3.995 4.320 0.011 0.000 0.222 233 A C 2.033 179.719 177.584 0.170 0.000 1.162 233 A CA 2.301 54.392 52.037 0.090 0.000 0.655 233 A CB -1.044 18.037 19.000 0.135 0.000 0.805 233 A HN 0.645 nan 8.150 nan 0.000 0.461 234 H N -0.423 118.618 119.070 -0.048 0.000 2.372 234 H HA 0.086 4.649 4.556 0.012 0.000 0.301 234 H C 1.676 176.938 175.328 -0.109 0.000 1.065 234 H CA 1.645 57.615 56.048 -0.130 0.000 1.364 234 H CB -0.205 29.229 29.762 -0.547 0.000 1.406 234 H HN 0.417 nan 8.280 nan 0.000 0.521 235 I N 0.526 121.045 120.570 -0.085 0.000 2.335 235 I HA -0.264 3.913 4.170 0.011 0.000 0.251 235 I C 2.628 178.677 176.117 -0.114 0.000 1.129 235 I CA 1.022 62.291 61.300 -0.051 0.000 1.402 235 I CB -0.446 37.577 38.000 0.040 0.000 1.069 235 I HN 0.397 nan 8.210 nan 0.000 0.424 236 A N 0.584 123.320 122.820 -0.141 0.000 1.972 236 A HA -0.172 4.155 4.320 0.011 0.000 0.219 236 A C 2.019 179.330 177.584 -0.454 0.000 1.169 236 A CA 1.635 53.500 52.037 -0.287 0.000 0.635 236 A CB -0.787 18.003 19.000 -0.350 0.000 0.810 236 A HN 0.396 nan 8.150 nan 0.000 0.446 237 F N -0.726 119.081 119.950 -0.238 0.000 2.317 237 F HA 0.042 4.575 4.527 0.011 0.000 0.293 237 F C 2.095 177.727 175.800 -0.281 0.000 1.085 237 F CA 0.916 58.757 58.000 -0.265 0.000 1.390 237 F CB -0.497 38.321 39.000 -0.303 0.000 1.077 237 F HN 0.295 nan 8.300 nan 0.000 0.517 238 N N 1.045 119.617 118.700 -0.213 0.000 2.104 238 N HA -0.200 4.547 4.740 0.011 0.000 0.190 238 N C 1.669 177.142 175.510 -0.062 0.000 1.024 238 N CA 1.530 54.504 53.050 -0.126 0.000 0.853 238 N CB -0.284 38.188 38.487 -0.026 0.000 1.008 238 N HN 0.253 nan 8.380 nan 0.000 0.424 239 I N -0.589 119.929 120.570 -0.087 0.000 2.716 239 I HA -0.077 4.100 4.170 0.011 0.000 0.259 239 I C 1.737 177.791 176.117 -0.105 0.000 1.172 239 I CA 0.194 61.444 61.300 -0.082 0.000 1.478 239 I CB 0.049 38.000 38.000 -0.082 0.000 1.104 239 I HN 0.227 nan 8.210 nan 0.000 0.439 240 L N -0.336 120.803 121.223 -0.140 0.000 2.201 240 L HA -0.110 4.237 4.340 0.011 0.000 0.212 240 L C 2.083 178.893 176.870 -0.100 0.000 1.105 240 L CA 1.637 56.391 54.840 -0.144 0.000 0.775 240 L CB -0.080 41.857 42.059 -0.204 0.000 0.913 240 L HN -0.010 nan 8.230 nan 0.000 0.440 241 V N -1.274 118.596 119.914 -0.073 0.000 2.575 241 V HA -0.097 4.030 4.120 0.011 0.000 0.242 241 V C 2.269 178.302 176.094 -0.102 0.000 1.045 241 V CA 1.160 63.430 62.300 -0.051 0.000 1.065 241 V CB -0.282 31.549 31.823 0.014 0.000 0.717 241 V HN 0.447 nan 8.190 nan 0.000 0.467 242 E N -0.074 120.073 120.200 -0.088 0.000 2.331 242 E HA -0.231 4.126 4.350 0.011 0.000 0.199 242 E C 2.033 178.552 176.600 -0.135 0.000 1.008 242 E CA 1.558 57.893 56.400 -0.109 0.000 0.843 242 E CB 0.091 29.752 29.700 -0.065 0.000 0.761 242 E HN 0.560 nan 8.360 nan 0.000 0.507 243 T N 0.102 114.584 114.554 -0.121 0.000 2.866 243 T HA 0.016 4.373 4.350 0.011 0.000 0.250 243 T C 1.104 175.730 174.700 -0.123 0.000 1.033 243 T CA 0.297 62.331 62.100 -0.110 0.000 1.145 243 T CB 0.009 68.823 68.868 -0.089 0.000 0.866 243 T HN 0.120 nan 8.240 nan 0.000 0.434 244 N N 1.810 120.437 118.700 -0.121 0.000 2.878 244 N HA 0.226 4.973 4.740 0.011 0.000 0.282 244 N C -1.202 174.174 175.510 -0.224 0.000 1.284 244 N CA 0.139 53.127 53.050 -0.104 0.000 1.053 244 N CB 0.019 38.490 38.487 -0.027 0.000 1.382 244 N HN 0.170 nan 8.380 nan 0.000 0.529 245 L N 0.631 121.666 121.223 -0.314 0.000 2.735 245 L HA 0.317 4.664 4.340 0.011 0.000 0.258 245 L C -2.465 174.141 176.870 -0.441 0.000 0.920 245 L CA -1.262 53.238 54.840 -0.567 0.000 0.958 245 L CB 2.328 43.957 42.059 -0.717 0.000 1.499 245 L HN -0.024 nan 8.230 nan 0.000 0.441 246 P HA 0.201 nan 4.420 nan 0.000 0.274 246 P C -1.006 176.140 177.300 -0.257 0.000 1.256 246 P CA -0.510 62.426 63.100 -0.273 0.000 0.795 246 P CB 0.593 32.191 31.700 -0.170 0.000 1.038 247 K N 1.303 121.606 120.400 -0.162 0.000 2.121 247 K HA 0.116 4.443 4.320 0.011 0.000 0.235 247 K C 0.343 176.842 176.600 -0.168 0.000 1.200 247 K CA 0.195 56.391 56.287 -0.152 0.000 1.115 247 K CB -1.454 30.987 32.500 -0.098 0.000 1.474 247 K HN 0.521 nan 8.250 nan 0.000 0.295 248 T N -0.385 113.999 114.554 -0.284 0.000 2.934 248 T HA 0.091 4.448 4.350 0.011 0.000 0.306 248 T C -1.084 173.391 174.700 -0.375 0.000 1.042 248 T CA -0.952 60.860 62.100 -0.481 0.000 1.145 248 T CB 0.722 69.030 68.868 -0.933 0.000 0.982 248 T HN 0.234 nan 8.240 nan 0.000 0.544 249 P HA 0.155 nan 4.420 nan 0.000 0.255 249 P C -0.307 177.023 177.300 0.049 0.000 1.248 249 P CA 0.047 63.126 63.100 -0.036 0.000 0.807 249 P CB -0.179 31.572 31.700 0.083 0.000 1.150 250 Y N -1.824 118.501 120.300 0.043 0.000 2.772 250 Y HA 0.786 5.343 4.550 0.011 0.000 0.324 250 Y C 0.046 175.984 175.900 0.063 0.000 1.169 250 Y CA -2.241 55.891 58.100 0.054 0.000 1.198 250 Y CB 0.064 38.560 38.460 0.061 0.000 1.402 250 Y HN -0.351 nan 8.280 nan 0.000 0.577 251 M N 1.961 121.747 119.600 0.310 0.000 2.294 251 M HA 0.435 4.922 4.480 0.011 0.000 0.335 251 M C -0.837 175.670 176.300 0.345 0.000 1.079 251 M CA -0.320 55.123 55.300 0.237 0.000 0.982 251 M CB 1.490 34.227 32.600 0.229 0.000 1.651 251 M HN 0.848 nan 8.290 nan 0.000 0.437 252 T N 2.519 117.225 114.554 0.254 0.000 2.813 252 T HA 0.097 4.454 4.350 0.011 0.000 0.297 252 T C 0.582 175.561 174.700 0.465 0.000 1.036 252 T CA -0.292 61.990 62.100 0.303 0.000 1.044 252 T CB 0.386 69.397 68.868 0.239 0.000 0.993 252 T HN 0.702 nan 8.240 nan 0.000 0.535 253 Y N 1.853 122.370 120.300 0.361 0.000 2.163 253 Y HA -0.114 4.443 4.550 0.012 0.000 0.288 253 Y C 2.624 178.847 175.900 0.539 0.000 1.136 253 Y CA 2.134 60.658 58.100 0.708 0.000 1.147 253 Y CB -1.107 37.750 38.460 0.662 0.000 0.987 253 Y HN 0.768 nan 8.280 nan 0.000 0.509 254 T N -1.349 113.436 114.554 0.385 0.000 2.951 254 T HA -0.036 4.321 4.350 0.011 0.000 0.268 254 T C 2.089 176.890 174.700 0.168 0.000 1.073 254 T CA 0.994 63.227 62.100 0.221 0.000 1.134 254 T CB -0.970 68.134 68.868 0.393 0.000 0.884 254 T HN 0.487 nan 8.240 nan 0.000 0.479 255 G N 0.978 109.905 108.800 0.211 0.000 2.484 255 G HA2 0.157 4.124 3.960 0.011 0.000 0.218 255 G HA3 0.157 4.124 3.960 0.011 0.000 0.218 255 G C 1.648 176.669 174.900 0.200 0.000 1.130 255 G CA 0.624 45.828 45.100 0.174 0.000 0.784 255 G HN 0.615 nan 8.290 nan 0.000 0.543 256 A N 1.700 124.633 122.820 0.189 0.000 1.826 256 A HA 0.067 4.394 4.320 0.011 0.000 0.214 256 A C 2.394 180.052 177.584 0.123 0.000 1.212 256 A CA 1.432 53.558 52.037 0.147 0.000 0.605 256 A CB -0.609 18.453 19.000 0.103 0.000 0.861 256 A HN 0.685 nan 8.150 nan 0.000 0.447 257 I N -2.277 118.265 120.570 -0.047 0.000 2.454 257 I HA -0.123 4.054 4.170 0.011 0.000 0.254 257 I C 2.101 178.254 176.117 0.060 0.000 1.156 257 I CA 1.593 62.855 61.300 -0.062 0.000 1.433 257 I CB -0.210 37.663 38.000 -0.211 0.000 1.082 257 I HN 0.316 nan 8.210 nan 0.000 0.432 258 I N -0.004 120.636 120.570 0.115 0.000 2.830 258 I HA -0.197 3.979 4.170 0.011 0.000 0.263 258 I C 2.061 178.362 176.117 0.307 0.000 1.230 258 I CA 1.164 62.563 61.300 0.166 0.000 1.480 258 I CB 0.062 38.133 38.000 0.118 0.000 1.095 258 I HN 0.403 nan 8.210 nan 0.000 0.455 259 F N -0.056 120.014 119.950 0.199 0.000 2.559 259 F HA 0.024 4.559 4.527 0.013 0.000 0.286 259 F C 2.153 178.092 175.800 0.231 0.000 1.108 259 F CA 0.400 58.591 58.000 0.319 0.000 1.436 259 F CB 0.006 39.129 39.000 0.206 0.000 1.130 259 F HN -0.122 nan 8.300 nan 0.000 0.584 260 M N 0.323 120.114 119.600 0.320 0.000 2.213 260 M HA -0.170 4.317 4.480 0.011 0.000 0.263 260 M C 1.706 178.016 176.300 0.017 0.000 1.062 260 M CA 1.546 56.947 55.300 0.170 0.000 1.105 260 M CB -0.328 32.315 32.600 0.071 0.000 1.385 260 M HN 0.193 nan 8.290 nan 0.000 0.417 261 I N 0.132 120.678 120.570 -0.040 0.000 2.226 261 I HA -0.276 3.901 4.170 0.011 0.000 0.245 261 I C 2.111 178.161 176.117 -0.111 0.000 1.100 261 I CA 1.452 62.655 61.300 -0.161 0.000 1.374 261 I CB -1.869 35.954 38.000 -0.295 0.000 1.057 261 I HN 0.273 nan 8.210 nan 0.000 0.413 262 Y N 0.460 120.628 120.300 -0.221 0.000 2.228 262 Y HA -0.268 4.289 4.550 0.011 0.000 0.285 262 Y C 2.351 178.233 175.900 -0.030 0.000 1.178 262 Y CA 1.141 59.091 58.100 -0.249 0.000 1.202 262 Y CB -0.492 37.724 38.460 -0.406 0.000 0.974 262 Y HN 0.093 nan 8.280 nan 0.000 0.527 263 L N -1.959 119.375 121.223 0.185 0.000 2.023 263 L HA -0.156 4.191 4.340 0.011 0.000 0.205 263 L C 1.947 179.062 176.870 0.407 0.000 1.073 263 L CA 1.462 56.485 54.840 0.305 0.000 0.745 263 L CB -1.725 40.532 42.059 0.329 0.000 0.900 263 L HN 0.114 nan 8.230 nan 0.000 0.435 264 F N -1.707 118.285 119.950 0.070 0.000 2.664 264 F HA -0.179 4.355 4.527 0.011 0.000 0.297 264 F C 2.023 177.816 175.800 -0.012 0.000 1.164 264 F CA 0.485 58.456 58.000 -0.049 0.000 1.472 264 F CB -1.042 37.936 39.000 -0.036 0.000 1.108 264 F HN 0.103 nan 8.300 nan 0.000 0.596 265 Y N -3.154 117.247 120.300 0.168 0.000 2.524 265 Y HA 0.014 4.571 4.550 0.011 0.000 0.270 265 Y C 2.131 178.165 175.900 0.225 0.000 1.094 265 Y CA 0.160 58.337 58.100 0.129 0.000 1.276 265 Y CB -0.433 38.039 38.460 0.021 0.000 1.130 265 Y HN -0.009 nan 8.280 nan 0.000 0.536 266 F N 0.121 120.219 119.950 0.246 0.000 2.149 266 F HA -0.109 4.426 4.527 0.013 0.000 0.294 266 F C 2.326 178.237 175.800 0.184 0.000 1.095 266 F CA 1.454 59.563 58.000 0.181 0.000 1.276 266 F CB -0.602 38.473 39.000 0.126 0.000 1.023 266 F HN -0.117 nan 8.300 nan 0.000 0.480 267 V N -1.168 118.865 119.914 0.198 0.000 2.871 267 V HA 0.070 4.196 4.120 0.011 0.000 0.256 267 V C 2.226 178.578 176.094 0.431 0.000 1.082 267 V CA 1.243 63.651 62.300 0.179 0.000 1.105 267 V CB -1.627 30.279 31.823 0.139 0.000 0.713 267 V HN 0.290 nan 8.190 nan 0.000 0.473 268 A N 0.429 123.548 122.820 0.499 0.000 1.873 268 A HA -0.051 4.276 4.320 0.011 0.000 0.215 268 A C 2.307 180.104 177.584 0.355 0.000 1.186 268 A CA 2.003 54.450 52.037 0.685 0.000 0.616 268 A CB -0.828 18.473 19.000 0.502 0.000 0.823 268 A HN 0.441 nan 8.150 nan 0.000 0.442 269 V N 0.288 120.322 119.914 0.200 0.000 3.141 269 V HA -0.122 4.005 4.120 0.011 0.000 0.265 269 V C 2.158 178.271 176.094 0.031 0.000 1.126 269 V CA 0.898 63.260 62.300 0.104 0.000 1.141 269 V CB -0.431 31.435 31.823 0.072 0.000 0.743 269 V HN 0.460 nan 8.190 nan 0.000 0.492 270 I N -0.114 120.448 120.570 -0.014 0.000 2.235 270 I HA -0.091 4.086 4.170 0.011 0.000 0.241 270 I C 2.585 178.740 176.117 0.064 0.000 1.085 270 I CA 1.389 62.662 61.300 -0.045 0.000 1.378 270 I CB -1.009 36.940 38.000 -0.086 0.000 1.076 270 I HN 0.372 nan 8.210 nan 0.000 0.415 271 E N 1.403 121.680 120.200 0.128 0.000 2.049 271 E HA -0.197 4.160 4.350 0.011 0.000 0.198 271 E C 2.135 178.815 176.600 0.133 0.000 1.007 271 E CA 2.536 58.990 56.400 0.090 0.000 0.809 271 E CB -0.207 29.507 29.700 0.023 0.000 0.749 271 E HN 0.335 nan 8.360 nan 0.000 0.450 272 V N -0.769 119.279 119.914 0.223 0.000 2.594 272 V HA -0.153 3.974 4.120 0.011 0.000 0.253 272 V C 2.341 178.605 176.094 0.282 0.000 1.069 272 V CA 2.131 64.589 62.300 0.263 0.000 1.082 272 V CB -1.252 30.739 31.823 0.280 0.000 0.680 272 V HN 0.090 nan 8.190 nan 0.000 0.469 273 T N -0.183 114.511 114.554 0.232 0.000 2.896 273 T HA -0.012 4.345 4.350 0.011 0.000 0.263 273 T C 1.887 176.624 174.700 0.060 0.000 1.050 273 T CA 1.623 63.818 62.100 0.157 0.000 1.140 273 T CB 0.083 69.029 68.868 0.130 0.000 0.877 273 T HN 0.328 nan 8.240 nan 0.000 0.457 274 V N 1.498 121.455 119.914 0.071 0.000 2.951 274 V HA 0.027 4.154 4.120 0.011 0.000 0.255 274 V C 2.214 178.332 176.094 0.040 0.000 1.088 274 V CA 1.056 63.392 62.300 0.058 0.000 1.109 274 V CB -0.273 31.570 31.823 0.033 0.000 0.724 274 V HN 0.463 nan 8.190 nan 0.000 0.471 275 Q N -1.211 118.617 119.800 0.046 0.000 2.452 275 Q HA -0.153 4.193 4.340 0.011 0.000 0.214 275 Q C 1.298 177.327 176.000 0.048 0.000 0.966 275 Q CA 0.950 56.771 55.803 0.029 0.000 0.964 275 Q CB 0.031 28.797 28.738 0.047 0.000 0.992 275 Q HN 0.844 nan 8.270 nan 0.000 0.517 276 H N -1.830 117.180 119.070 -0.100 0.000 2.089 276 H HA 0.040 4.601 4.556 0.008 0.000 0.206 276 H C 0.064 175.342 175.328 -0.083 0.000 0.872 276 H CA 0.021 55.968 56.048 -0.169 0.000 0.979 276 H CB 0.098 29.584 29.762 -0.460 0.000 1.266 276 H HN 0.252 nan 8.280 nan 0.000 0.389 277 Y N 0.828 121.088 120.300 -0.067 0.000 2.487 277 Y HA 0.206 4.762 4.550 0.010 0.000 0.339 277 Y C 0.200 176.048 175.900 -0.087 0.000 1.191 277 Y CA 0.350 58.401 58.100 -0.082 0.000 1.279 277 Y CB 0.020 38.458 38.460 -0.036 0.000 1.122 277 Y HN 0.282 nan 8.280 nan 0.000 0.500 278 L N 0.295 121.437 121.223 -0.135 0.000 3.631 278 L HA 0.258 4.605 4.340 0.011 0.000 0.346 278 L C 0.232 177.011 176.870 -0.151 0.000 1.329 278 L CA 0.112 54.861 54.840 -0.151 0.000 1.018 278 L CB 0.197 42.212 42.059 -0.073 0.000 1.412 278 L HN 0.033 nan 8.230 nan 0.000 0.618 279 K N -1.277 119.005 120.400 -0.198 0.000 2.618 279 K HA 0.171 4.498 4.320 0.011 0.000 0.205 279 K C 0.879 177.331 176.600 -0.247 0.000 1.445 279 K CA 0.957 57.132 56.287 -0.187 0.000 1.034 279 K CB 0.843 33.256 32.500 -0.146 0.000 1.209 279 K HN 0.170 nan 8.250 nan 0.000 0.627 280 V N -1.781 117.947 119.914 -0.310 0.000 3.379 280 V HA 0.297 4.424 4.120 0.011 0.000 0.249 280 V C 0.293 176.238 176.094 -0.249 0.000 1.184 280 V CA -0.068 62.062 62.300 -0.284 0.000 1.106 280 V CB 0.240 31.875 31.823 -0.314 0.000 0.826 280 V HN 0.025 nan 8.190 nan 0.000 0.465 281 E N 2.141 122.150 120.200 -0.318 0.000 2.180 281 E HA 0.276 4.633 4.350 0.011 0.000 0.283 281 E C -0.176 176.301 176.600 -0.205 0.000 1.061 281 E CA 0.014 56.234 56.400 -0.299 0.000 0.861 281 E CB 1.426 30.875 29.700 -0.419 0.000 1.056 281 E HN 0.339 nan 8.360 nan 0.000 0.407 282 S N 3.210 118.817 115.700 -0.154 0.000 4.027 282 S HA -0.049 4.428 4.470 0.011 0.000 0.188 282 S C 0.652 175.188 174.600 -0.106 0.000 1.230 282 S CA 0.379 58.508 58.200 -0.118 0.000 0.920 282 S CB -0.381 62.764 63.200 -0.092 0.000 1.577 282 S HN 0.396 nan 8.310 nan 0.000 0.445 283 Q N 1.214 120.945 119.800 -0.116 0.000 2.215 283 Q HA 0.214 4.561 4.340 0.011 0.000 0.337 283 Q C -2.283 173.660 176.000 -0.094 0.000 0.887 283 Q CA -1.525 54.218 55.803 -0.100 0.000 1.134 283 Q CB 0.489 29.163 28.738 -0.106 0.000 1.303 283 Q HN 0.234 nan 8.270 nan 0.000 0.421 284 P HA -0.079 nan 4.420 nan 0.000 0.236 284 P C 0.905 178.160 177.300 -0.076 0.000 1.172 284 P CA 1.030 64.081 63.100 -0.082 0.000 0.759 284 P CB 0.138 31.794 31.700 -0.073 0.000 0.843 285 A N 0.273 123.049 122.820 -0.073 0.000 1.884 285 A HA -0.279 4.048 4.320 0.011 0.000 0.219 285 A C 2.388 179.926 177.584 -0.076 0.000 1.197 285 A CA 2.192 54.188 52.037 -0.069 0.000 0.637 285 A CB -0.991 17.971 19.000 -0.064 0.000 0.827 285 A HN 0.062 nan 8.150 nan 0.000 0.450 286 R N -0.979 119.473 120.500 -0.079 0.000 2.140 286 R HA 0.274 4.621 4.340 0.011 0.000 0.213 286 R C 2.241 178.486 176.300 -0.092 0.000 1.059 286 R CA 1.243 57.293 56.100 -0.083 0.000 1.000 286 R CB -0.675 29.579 30.300 -0.077 0.000 0.910 286 R HN 0.464 nan 8.270 nan 0.000 0.455 287 A N 0.506 123.272 122.820 -0.089 0.000 1.834 287 A HA -0.068 4.259 4.320 0.011 0.000 0.216 287 A C 1.975 179.498 177.584 -0.102 0.000 1.203 287 A CA 1.751 53.736 52.037 -0.086 0.000 0.621 287 A CB -1.232 17.722 19.000 -0.077 0.000 0.841 287 A HN 0.354 nan 8.150 nan 0.000 0.446 288 A N -1.053 121.708 122.820 -0.098 0.000 2.250 288 A HA 0.309 4.636 4.320 0.011 0.000 0.208 288 A C 1.876 179.376 177.584 -0.141 0.000 1.254 288 A CA 1.236 53.202 52.037 -0.119 0.000 0.858 288 A CB -0.570 18.371 19.000 -0.098 0.000 0.820 288 A HN 0.449 nan 8.150 nan 0.000 0.484 289 S N -0.700 114.918 115.700 -0.136 0.000 2.433 289 S HA 0.098 4.575 4.470 0.011 0.000 0.216 289 S C 1.817 176.306 174.600 -0.184 0.000 1.031 289 S CA 0.485 58.599 58.200 -0.145 0.000 0.931 289 S CB -0.294 62.837 63.200 -0.115 0.000 0.875 289 S HN 0.512 nan 8.310 nan 0.000 0.553 290 I N 1.651 122.115 120.570 -0.176 0.000 2.068 290 I HA -0.270 3.907 4.170 0.011 0.000 0.238 290 I C 2.424 178.344 176.117 -0.327 0.000 1.046 290 I CA 1.782 62.949 61.300 -0.221 0.000 1.306 290 I CB -0.911 36.984 38.000 -0.175 0.000 1.023 290 I HN 0.343 nan 8.210 nan 0.000 0.399 291 T N 0.359 114.737 114.554 -0.293 0.000 2.685 291 T HA -0.264 4.093 4.350 0.011 0.000 0.268 291 T C 2.053 176.457 174.700 -0.492 0.000 1.034 291 T CA 1.326 63.209 62.100 -0.362 0.000 1.149 291 T CB -0.304 68.447 68.868 -0.195 0.000 0.860 291 T HN 0.190 nan 8.240 nan 0.000 0.449 292 R N 0.843 121.104 120.500 -0.398 0.000 2.092 292 R HA 0.109 4.456 4.340 0.011 0.000 0.231 292 R C 2.577 178.616 176.300 -0.436 0.000 1.119 292 R CA 1.526 57.373 56.100 -0.422 0.000 0.970 292 R CB -0.938 29.186 30.300 -0.292 0.000 0.864 292 R HN 0.463 nan 8.270 nan 0.000 0.440 293 A N -0.122 122.463 122.820 -0.392 0.000 1.855 293 A HA -0.090 4.237 4.320 0.011 0.000 0.215 293 A C 2.298 179.587 177.584 -0.492 0.000 1.191 293 A CA 1.703 53.526 52.037 -0.357 0.000 0.613 293 A CB -0.668 18.163 19.000 -0.281 0.000 0.829 293 A HN 0.336 nan 8.150 nan 0.000 0.442 294 S N -0.023 115.230 115.700 -0.746 0.000 2.407 294 S HA -0.239 4.238 4.470 0.011 0.000 0.235 294 S C 1.854 175.811 174.600 -1.071 0.000 1.036 294 S CA 1.630 59.084 58.200 -1.243 0.000 1.013 294 S CB -0.433 61.518 63.200 -2.081 0.000 0.820 294 S HN 0.607 nan 8.310 nan 0.000 0.476 295 R N 0.031 120.062 120.500 -0.781 0.000 2.303 295 R HA 0.004 4.350 4.340 0.011 0.000 0.225 295 R C 1.268 177.497 176.300 -0.118 0.000 1.114 295 R CA 0.822 56.706 56.100 -0.359 0.000 1.007 295 R CB -0.165 29.672 30.300 -0.772 0.000 0.861 295 R HN 0.385 nan 8.270 nan 0.000 0.471 296 I N -1.237 119.202 120.570 -0.218 0.000 3.673 296 I HA 0.106 4.283 4.170 0.011 0.000 0.281 296 I C 2.280 178.345 176.117 -0.087 0.000 1.182 296 I CA 0.542 61.778 61.300 -0.108 0.000 1.391 296 I CB -1.267 36.677 38.000 -0.094 0.000 1.383 296 I HN -0.007 nan 8.210 nan 0.000 0.456 297 A N 1.727 124.466 122.820 -0.136 0.000 1.894 297 A HA -0.275 4.051 4.320 0.011 0.000 0.220 297 A C 2.309 179.983 177.584 0.149 0.000 1.237 297 A CA 2.063 54.086 52.037 -0.023 0.000 0.660 297 A CB -1.320 17.630 19.000 -0.084 0.000 0.835 297 A HN 0.345 nan 8.150 nan 0.000 0.461 298 F N -0.030 119.765 119.950 -0.258 0.000 2.014 298 F HA -0.116 4.419 4.527 0.013 0.000 0.295 298 F C -0.078 175.634 175.800 -0.147 0.000 1.145 298 F CA 1.318 59.141 58.000 -0.295 0.000 1.178 298 F CB -1.294 37.407 39.000 -0.498 0.000 0.972 298 F HN 0.186 nan 8.300 nan 0.000 0.476 299 P HA -0.143 nan 4.420 nan 0.000 0.218 299 P C 1.477 178.968 177.300 0.319 0.000 1.146 299 P CA 1.185 64.365 63.100 0.134 0.000 0.813 299 P CB -0.038 31.653 31.700 -0.016 0.000 0.778 300 V N -0.961 119.075 119.914 0.204 0.000 2.331 300 V HA -0.139 3.988 4.120 0.011 0.000 0.242 300 V C 2.422 178.661 176.094 0.241 0.000 1.034 300 V CA 1.330 63.742 62.300 0.186 0.000 1.027 300 V CB -1.151 30.731 31.823 0.098 0.000 0.667 300 V HN -0.078 nan 8.190 nan 0.000 0.457 301 V N -0.078 119.984 119.914 0.247 0.000 2.380 301 V HA -0.311 3.816 4.120 0.011 0.000 0.251 301 V C 2.130 178.527 176.094 0.505 0.000 1.063 301 V CA 2.557 65.020 62.300 0.272 0.000 1.055 301 V CB -0.781 31.120 31.823 0.130 0.000 0.657 301 V HN 0.549 nan 8.190 nan 0.000 0.455 302 F N 0.347 120.653 119.950 0.593 0.000 2.009 302 F HA -0.149 4.385 4.527 0.013 0.000 0.293 302 F C 2.179 178.139 175.800 0.266 0.000 1.156 302 F CA 1.993 60.335 58.000 0.570 0.000 1.168 302 F CB -0.622 38.808 39.000 0.718 0.000 0.981 302 F HN 0.053 nan 8.300 nan 0.000 0.475 303 L N -0.174 121.234 121.223 0.308 0.000 2.270 303 L HA -0.220 4.126 4.340 0.011 0.000 0.217 303 L C 2.051 178.934 176.870 0.021 0.000 1.107 303 L CA 1.252 56.152 54.840 0.099 0.000 0.772 303 L CB -0.395 41.791 42.059 0.211 0.000 0.902 303 L HN 0.408 nan 8.230 nan 0.000 0.439 304 L N -0.722 120.550 121.223 0.082 0.000 2.127 304 L HA 0.039 4.386 4.340 0.011 0.000 0.203 304 L C 2.558 179.442 176.870 0.025 0.000 1.080 304 L CA 1.554 56.426 54.840 0.055 0.000 0.768 304 L CB -0.433 41.678 42.059 0.087 0.000 0.924 304 L HN 0.214 nan 8.230 nan 0.000 0.444 305 A N -0.875 121.972 122.820 0.045 0.000 2.067 305 A HA -0.185 4.142 4.320 0.011 0.000 0.219 305 A C 1.952 179.470 177.584 -0.110 0.000 1.158 305 A CA 1.868 53.915 52.037 0.017 0.000 0.661 305 A CB -0.744 18.337 19.000 0.134 0.000 0.801 305 A HN 0.567 nan 8.150 nan 0.000 0.452 306 N N -0.716 117.844 118.700 -0.234 0.000 2.395 306 N HA 0.124 4.871 4.740 0.011 0.000 0.175 306 N C 1.396 176.852 175.510 -0.090 0.000 1.029 306 N CA 0.638 53.540 53.050 -0.246 0.000 0.897 306 N CB -0.144 38.086 38.487 -0.428 0.000 0.991 306 N HN 0.484 nan 8.380 nan 0.000 0.441 307 I N 0.176 120.712 120.570 -0.056 0.000 2.439 307 I HA -0.148 4.028 4.170 0.011 0.000 0.251 307 I C 1.268 177.421 176.117 0.059 0.000 1.139 307 I CA 0.504 61.804 61.300 -0.000 0.000 1.438 307 I CB 0.022 38.014 38.000 -0.013 0.000 1.085 307 I HN 0.151 nan 8.210 nan 0.000 0.427 308 I N -0.123 120.468 120.570 0.036 0.000 2.286 308 I HA -0.201 3.975 4.170 0.011 0.000 0.245 308 I C 2.382 178.551 176.117 0.086 0.000 1.104 308 I CA 1.427 62.772 61.300 0.075 0.000 1.397 308 I CB -0.984 37.042 38.000 0.044 0.000 1.072 308 I HN 0.188 nan 8.210 nan 0.000 0.417 309 L N 1.079 122.311 121.223 0.015 0.000 2.007 309 L HA -0.047 4.300 4.340 0.011 0.000 0.205 309 L C 2.652 179.561 176.870 0.066 0.000 1.073 309 L CA 2.112 56.929 54.840 -0.039 0.000 0.744 309 L CB -1.061 40.943 42.059 -0.092 0.000 0.898 309 L HN 0.198 nan 8.230 nan 0.000 0.435 310 A N -0.748 122.158 122.820 0.144 0.000 1.859 310 A HA -0.350 3.977 4.320 0.011 0.000 0.217 310 A C 2.334 180.004 177.584 0.143 0.000 1.198 310 A CA 2.298 54.422 52.037 0.146 0.000 0.629 310 A CB -1.428 17.552 19.000 -0.032 0.000 0.830 310 A HN 0.526 nan 8.150 nan 0.000 0.446 311 F N 0.059 120.026 119.950 0.028 0.000 2.161 311 F HA -0.169 4.364 4.527 0.011 0.000 0.300 311 F C 1.731 177.619 175.800 0.147 0.000 1.089 311 F CA 1.746 59.787 58.000 0.069 0.000 1.282 311 F CB -0.253 38.768 39.000 0.035 0.000 1.010 311 F HN 0.193 nan 8.300 nan 0.000 0.485 312 L N -0.872 120.373 121.223 0.036 0.000 2.265 312 L HA -0.136 4.211 4.340 0.011 0.000 0.215 312 L C 1.609 178.562 176.870 0.138 0.000 1.117 312 L CA 1.663 56.472 54.840 -0.052 0.000 0.782 312 L CB -0.980 41.035 42.059 -0.073 0.000 0.914 312 L HN 0.151 nan 8.230 nan 0.000 0.441 313 F N -2.493 117.564 119.950 0.177 0.000 2.419 313 F HA 0.133 4.667 4.527 0.012 0.000 0.283 313 F C 1.961 177.868 175.800 0.177 0.000 1.044 313 F CA 0.420 58.572 58.000 0.253 0.000 1.376 313 F CB -0.644 38.636 39.000 0.466 0.000 1.131 313 F HN -0.047 nan 8.300 nan 0.000 0.585 314 F N -0.252 119.736 119.950 0.064 0.000 2.317 314 F HA 0.262 4.796 4.527 0.012 0.000 0.290 314 F C 2.564 178.311 175.800 -0.089 0.000 1.075 314 F CA 0.791 58.755 58.000 -0.060 0.000 1.380 314 F CB -1.508 37.411 39.000 -0.135 0.000 1.093 314 F HN -0.088 nan 8.300 nan 0.000 0.524 315 G N -1.163 107.667 108.800 0.050 0.000 2.956 315 G HA2 0.021 3.988 3.960 0.011 0.000 0.207 315 G HA3 0.021 3.988 3.960 0.011 0.000 0.207 315 G C -0.099 174.675 174.900 -0.210 0.000 1.162 315 G CA 0.353 45.386 45.100 -0.111 0.000 0.796 315 G HN 0.214 nan 8.290 nan 0.000 0.527 316 F N 0.000 119.781 119.950 -0.282 0.000 2.286 316 F HA 0.000 4.534 4.527 0.011 0.000 0.279 316 F CA 0.000 57.883 58.000 -0.195 0.000 1.383 316 F CB 0.000 38.864 39.000 -0.226 0.000 1.145 316 F HN 0.000 nan 8.300 nan 0.000 0.574