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 3mk7_1_A DATA FIRST_RESID 5 DATA SEQUENCE TSTAYSYKVV RQFAIMTVVW GIVGMGLGVF IAAQLAWPFL NFDLPWTSFG DATA SEQUENCE RLRPLHTNAV IFAFGGCALF ATSYYSVQRT CQTTLFAPKL AAFTFWGWQL DATA SEQUENCE VILLAAISLP LGFTSSKEYA ELEWPIDILI TIVWVAYAVV FFGTLAKRKV DATA SEQUENCE KHIYVGNWFF GAFILTVAIL HVVNNLEIPV TAMKSYSLYA GATDAMVQWW DATA SEQUENCE YGHNAVGFFL TAGFLGIMYY FVPKQAERPV YSYRLSIVHF WALITVYIWA DATA SEQUENCE GPHHLHYTAL PDWAQSLGMV MSLILLAPSW GGMINGMMTL SGAWHKLRSD DATA SEQUENCE PILRFLVVSL AFYGMSTFEG PMMAIKTVNA LSHYTDWTIG HVHAGALGWV DATA SEQUENCE AMVSIGALYH LVPKVFGREQ MHSIGLINTH FWLATIGTVL YIASMWVNGI DATA SEQUENCE AQGLMWRAIN DDGTLTYSFV ESLEASHPGF VVRMIGGAIF FAGMLVMAYN DATA SEQUENCE TWRTVQAAKP AEYDAA 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.662 174.700 -0.064 0.000 1.109 5 T CA 0.000 62.069 62.100 -0.053 0.000 1.349 5 T CB 0.000 68.837 68.868 -0.052 0.000 0.612 6 S N 1.241 116.900 115.700 -0.068 0.000 3.119 6 S HA -0.199 4.271 4.470 0.000 0.000 0.298 6 S C 0.629 175.163 174.600 -0.110 0.000 1.294 6 S CA 1.539 59.693 58.200 -0.077 0.000 1.091 6 S CB -1.666 61.502 63.200 -0.055 0.000 1.271 6 S HN 1.172 nan 8.310 nan 0.000 0.693 7 T N -0.715 113.760 114.554 -0.131 0.000 4.313 7 T HA 0.637 4.987 4.350 0.000 0.000 0.272 7 T C -0.225 174.314 174.700 -0.268 0.000 1.298 7 T CA 0.373 62.359 62.100 -0.189 0.000 1.124 7 T CB 0.256 69.024 68.868 -0.167 0.000 1.352 7 T HN 0.790 nan 8.240 nan 0.000 1.013 8 A N 2.184 124.833 122.820 -0.285 0.000 2.437 8 A HA 0.591 4.911 4.320 0.000 0.000 0.293 8 A C -0.815 176.585 177.584 -0.307 0.000 1.038 8 A CA -1.110 50.713 52.037 -0.356 0.000 0.708 8 A CB 0.838 19.685 19.000 -0.255 0.000 1.251 8 A HN 0.471 nan 8.150 nan 0.000 0.409 9 Y N 1.044 121.173 120.300 -0.285 0.000 2.702 9 Y HA 0.160 4.710 4.550 0.000 0.000 0.336 9 Y C 1.525 177.311 175.900 -0.190 0.000 1.235 9 Y CA 0.865 58.821 58.100 -0.240 0.000 1.492 9 Y CB 0.677 38.968 38.460 -0.282 0.000 1.308 9 Y HN 0.602 nan 8.280 nan 0.000 0.589 10 S N 3.938 119.714 115.700 0.128 0.000 2.498 10 S HA 0.107 4.577 4.470 0.000 0.000 0.314 10 S C 0.505 175.263 174.600 0.263 0.000 1.141 10 S CA -0.244 58.018 58.200 0.103 0.000 1.087 10 S CB -0.640 62.581 63.200 0.035 0.000 1.178 10 S HN 0.705 nan 8.310 nan 0.000 0.533 11 Y N 2.625 122.942 120.300 0.029 0.000 2.466 11 Y HA 0.033 4.583 4.550 0.000 0.000 0.272 11 Y C 2.061 177.931 175.900 -0.050 0.000 1.169 11 Y CA -0.336 57.778 58.100 0.025 0.000 1.285 11 Y CB 0.323 38.806 38.460 0.038 0.000 1.078 11 Y HN 0.523 nan 8.280 nan 0.000 0.523 12 K N 0.941 121.390 120.400 0.081 0.000 2.009 12 K HA -0.153 4.167 4.320 0.000 0.000 0.210 12 K C 1.614 178.150 176.600 -0.106 0.000 1.049 12 K CA 2.044 58.309 56.287 -0.036 0.000 0.929 12 K CB -0.745 31.741 32.500 -0.023 0.000 0.714 12 K HN 0.087 nan 8.250 nan 0.000 0.440 13 V N 0.303 120.190 119.914 -0.046 0.000 2.295 13 V HA -0.210 3.910 4.120 0.000 0.000 0.246 13 V C 2.386 178.509 176.094 0.048 0.000 1.049 13 V CA 1.765 64.042 62.300 -0.039 0.000 1.024 13 V CB -0.629 31.270 31.823 0.127 0.000 0.648 13 V HN 0.170 nan 8.190 nan 0.000 0.447 14 V N -0.005 119.983 119.914 0.123 0.000 2.324 14 V HA -0.324 3.796 4.120 0.000 0.000 0.250 14 V C 2.627 178.702 176.094 -0.032 0.000 1.060 14 V CA 2.471 64.833 62.300 0.105 0.000 1.042 14 V CB -0.879 30.960 31.823 0.028 0.000 0.650 14 V HN 0.454 nan 8.190 nan 0.000 0.450 15 R N -0.558 119.844 120.500 -0.164 0.000 2.073 15 R HA -0.202 4.138 4.340 0.000 0.000 0.234 15 R C 2.522 178.699 176.300 -0.205 0.000 1.134 15 R CA 1.924 57.858 56.100 -0.277 0.000 0.952 15 R CB -0.202 29.798 30.300 -0.500 0.000 0.850 15 R HN 0.622 nan 8.270 nan 0.000 0.433 16 Q N -0.676 118.883 119.800 -0.402 0.000 2.002 16 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 16 Q C 1.962 177.669 176.000 -0.488 0.000 0.988 16 Q CA 2.101 57.459 55.803 -0.742 0.000 0.843 16 Q CB -0.239 27.436 28.738 -1.771 0.000 0.908 16 Q HN 0.321 nan 8.270 nan 0.000 0.420 17 F N 0.441 120.203 119.950 -0.314 0.000 2.202 17 F HA -0.263 4.264 4.527 -0.000 0.000 0.301 17 F C 2.327 178.154 175.800 0.045 0.000 1.082 17 F CA 0.623 58.635 58.000 0.019 0.000 1.313 17 F CB -0.243 38.777 39.000 0.034 0.000 1.024 17 F HN 0.139 nan 8.300 nan 0.000 0.495 18 A N 0.641 123.560 122.820 0.165 0.000 1.845 18 A HA -0.185 4.135 4.320 0.000 0.000 0.215 18 A C 2.152 179.801 177.584 0.109 0.000 1.195 18 A CA 1.653 53.753 52.037 0.105 0.000 0.616 18 A CB -0.865 18.189 19.000 0.090 0.000 0.832 18 A HN 0.221 nan 8.150 nan 0.000 0.443 19 I N -0.393 120.243 120.570 0.111 0.000 2.127 19 I HA -0.249 3.921 4.170 0.000 0.000 0.241 19 I C 2.526 178.678 176.117 0.058 0.000 1.075 19 I CA 1.539 62.886 61.300 0.079 0.000 1.334 19 I CB -1.276 36.778 38.000 0.091 0.000 1.040 19 I HN 0.268 nan 8.210 nan 0.000 0.405 20 M N 0.119 119.780 119.600 0.102 0.000 2.279 20 M HA -0.136 4.344 4.480 0.000 0.000 0.264 20 M C 2.259 178.703 176.300 0.240 0.000 1.062 20 M CA 1.397 56.766 55.300 0.114 0.000 1.099 20 M CB -1.811 30.988 32.600 0.332 0.000 1.394 20 M HN 0.254 nan 8.290 nan 0.000 0.426 21 T N 0.659 115.392 114.554 0.297 0.000 2.708 21 T HA -0.086 4.264 4.350 0.000 0.000 0.266 21 T C 2.066 176.969 174.700 0.338 0.000 1.037 21 T CA 1.476 63.771 62.100 0.325 0.000 1.146 21 T CB -0.355 68.602 68.868 0.148 0.000 0.865 21 T HN 0.191 nan 8.240 nan 0.000 0.435 22 V N 1.255 121.271 119.914 0.171 0.000 2.358 22 V HA -0.130 3.990 4.120 0.000 0.000 0.246 22 V C 2.678 178.811 176.094 0.065 0.000 1.047 22 V CA 1.167 63.532 62.300 0.110 0.000 1.035 22 V CB -0.778 31.047 31.823 0.003 0.000 0.658 22 V HN 0.312 nan 8.190 nan 0.000 0.452 23 V N -1.043 118.849 119.914 -0.037 0.000 2.295 23 V HA -0.273 3.847 4.120 0.000 0.000 0.246 23 V C 2.144 178.156 176.094 -0.136 0.000 1.049 23 V CA 2.256 64.434 62.300 -0.203 0.000 1.024 23 V CB -0.806 30.748 31.823 -0.449 0.000 0.648 23 V HN 0.627 nan 8.190 nan 0.000 0.447 24 W N 0.372 121.802 121.300 0.216 0.000 2.418 24 W HA 0.064 4.724 4.660 0.000 0.000 0.292 24 W C 2.542 179.214 176.519 0.255 0.000 1.213 24 W CA 0.718 58.211 57.345 0.245 0.000 1.283 24 W CB -0.904 28.736 29.460 0.300 0.000 1.119 24 W HN 0.293 nan 8.180 nan 0.000 0.542 25 G N 1.451 110.549 108.800 0.496 0.000 2.553 25 G HA2 -0.323 3.637 3.960 0.000 0.000 0.218 25 G HA3 -0.323 3.637 3.960 0.000 0.000 0.218 25 G C 1.326 176.291 174.900 0.108 0.000 1.195 25 G CA 1.706 46.871 45.100 0.109 0.000 0.779 25 G HN 0.065 nan 8.290 nan 0.000 0.577 26 I N 0.683 121.334 120.570 0.134 0.000 2.099 26 I HA -0.160 4.010 4.170 0.000 0.000 0.239 26 I C 3.037 179.357 176.117 0.339 0.000 1.066 26 I CA 0.997 62.407 61.300 0.184 0.000 1.324 26 I CB -1.412 36.622 38.000 0.057 0.000 1.037 26 I HN 0.061 nan 8.210 nan 0.000 0.401 27 V N 1.519 121.598 119.914 0.275 0.000 2.282 27 V HA -0.252 3.868 4.120 0.000 0.000 0.249 27 V C 2.714 179.000 176.094 0.320 0.000 1.057 27 V CA 2.270 64.752 62.300 0.303 0.000 1.032 27 V CB -1.587 30.474 31.823 0.397 0.000 0.645 27 V HN 0.577 nan 8.190 nan 0.000 0.447 28 G N -0.865 108.144 108.800 0.348 0.000 2.414 28 G HA2 -0.242 3.718 3.960 0.000 0.000 0.215 28 G HA3 -0.242 3.718 3.960 0.000 0.000 0.215 28 G C 1.604 176.710 174.900 0.342 0.000 1.188 28 G CA 1.075 46.362 45.100 0.312 0.000 0.783 28 G HN 0.451 nan 8.290 nan 0.000 0.537 29 M N 0.896 120.679 119.600 0.305 0.000 2.254 29 M HA 0.096 4.576 4.480 0.000 0.000 0.265 29 M C 2.785 179.213 176.300 0.213 0.000 1.066 29 M CA 1.021 56.522 55.300 0.335 0.000 1.123 29 M CB -0.278 32.562 32.600 0.399 0.000 1.388 29 M HN 0.280 nan 8.290 nan 0.000 0.425 30 G N 0.904 109.808 108.800 0.173 0.000 2.480 30 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 30 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 30 G C 1.492 176.347 174.900 -0.075 0.000 1.200 30 G CA 0.609 45.554 45.100 -0.259 0.000 0.782 30 G HN 0.323 nan 8.290 nan 0.000 0.554 31 L N 0.800 122.079 121.223 0.094 0.000 2.051 31 L HA -0.138 4.202 4.340 0.000 0.000 0.214 31 L C 3.150 180.058 176.870 0.064 0.000 1.076 31 L CA 1.349 56.281 54.840 0.152 0.000 0.758 31 L CB -0.690 41.501 42.059 0.220 0.000 0.890 31 L HN 0.384 nan 8.230 nan 0.000 0.433 32 G N -0.768 108.009 108.800 -0.039 0.000 2.480 32 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 32 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 32 G C 1.546 176.325 174.900 -0.202 0.000 1.200 32 G CA 1.006 45.838 45.100 -0.446 0.000 0.782 32 G HN 0.234 nan 8.290 nan 0.000 0.554 33 V N 0.435 120.284 119.914 -0.108 0.000 2.324 33 V HA -0.189 3.931 4.120 0.000 0.000 0.250 33 V C 2.355 178.425 176.094 -0.040 0.000 1.060 33 V CA 2.033 64.274 62.300 -0.097 0.000 1.042 33 V CB -0.652 31.056 31.823 -0.191 0.000 0.650 33 V HN 0.367 nan 8.190 nan 0.000 0.450 34 F N 1.446 121.315 119.950 -0.135 0.000 2.075 34 F HA -0.189 4.338 4.527 0.000 0.000 0.297 34 F C 2.193 177.963 175.800 -0.049 0.000 1.113 34 F CA 2.205 60.161 58.000 -0.073 0.000 1.218 34 F CB -0.346 38.629 39.000 -0.042 0.000 0.984 34 F HN 0.256 nan 8.300 nan 0.000 0.472 35 I N -1.119 119.382 120.570 -0.115 0.000 2.614 35 I HA 0.002 4.172 4.170 0.000 0.000 0.258 35 I C 2.224 178.289 176.117 -0.087 0.000 1.189 35 I CA 1.278 62.529 61.300 -0.082 0.000 1.462 35 I CB -1.183 36.811 38.000 -0.009 0.000 1.092 35 I HN 0.106 nan 8.210 nan 0.000 0.442 36 A N 1.744 124.459 122.820 -0.175 0.000 1.902 36 A HA 0.017 4.337 4.320 0.000 0.000 0.217 36 A C 2.586 179.961 177.584 -0.348 0.000 1.181 36 A CA 1.809 53.691 52.037 -0.258 0.000 0.623 36 A CB -0.964 17.891 19.000 -0.242 0.000 0.818 36 A HN 0.581 nan 8.150 nan 0.000 0.443 37 A N -0.761 121.897 122.820 -0.270 0.000 1.969 37 A HA -0.174 4.146 4.320 0.000 0.000 0.218 37 A C 2.090 179.488 177.584 -0.311 0.000 1.169 37 A CA 1.512 53.449 52.037 -0.167 0.000 0.635 37 A CB -0.512 18.505 19.000 0.028 0.000 0.810 37 A HN 0.657 nan 8.150 nan 0.000 0.445 38 Q N -0.500 119.013 119.800 -0.477 0.000 2.124 38 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 38 Q C 1.926 177.610 176.000 -0.526 0.000 0.977 38 Q CA 1.230 56.734 55.803 -0.498 0.000 0.850 38 Q CB -0.293 28.192 28.738 -0.423 0.000 0.901 38 Q HN 0.663 nan 8.270 nan 0.000 0.429 39 L N -0.163 120.656 121.223 -0.673 0.000 2.275 39 L HA -0.128 4.212 4.340 0.000 0.000 0.215 39 L C 2.264 178.663 176.870 -0.786 0.000 1.119 39 L CA 0.652 54.934 54.840 -0.931 0.000 0.790 39 L CB -0.315 40.957 42.059 -1.312 0.000 0.919 39 L HN 0.210 nan 8.230 nan 0.000 0.443 40 A N -1.083 121.284 122.820 -0.755 0.000 1.878 40 A HA -0.068 4.252 4.320 0.000 0.000 0.213 40 A C 0.682 177.876 177.584 -0.650 0.000 1.192 40 A CA 0.492 51.967 52.037 -0.938 0.000 0.619 40 A CB 0.041 17.859 19.000 -1.971 0.000 0.837 40 A HN 0.409 nan 8.150 nan 0.000 0.446 41 W N -0.824 120.432 121.300 -0.074 0.000 2.516 41 W HA 0.394 5.054 4.660 -0.000 0.000 0.293 41 W C -2.832 173.565 176.519 -0.204 0.000 1.006 41 W CA -2.167 55.182 57.345 0.007 0.000 1.483 41 W CB 0.360 29.892 29.460 0.120 0.000 1.316 41 W HN 0.212 nan 8.180 nan 0.000 0.411 42 P HA -0.197 nan 4.420 nan 0.000 0.228 42 P C 1.586 178.797 177.300 -0.148 0.000 1.151 42 P CA 1.134 64.157 63.100 -0.128 0.000 0.770 42 P CB -0.234 31.426 31.700 -0.067 0.000 0.786 43 F N -1.257 118.644 119.950 -0.083 0.000 2.333 43 F HA -0.062 4.465 4.527 0.000 0.000 0.300 43 F C 1.437 177.004 175.800 -0.388 0.000 1.083 43 F CA 0.916 58.837 58.000 -0.131 0.000 1.395 43 F CB -1.568 37.403 39.000 -0.048 0.000 1.056 43 F HN -0.215 nan 8.300 nan 0.000 0.529 44 L N 0.826 121.182 121.223 -1.445 0.000 2.551 44 L HA -0.088 4.252 4.340 0.000 0.000 0.228 44 L C 1.988 178.129 176.870 -1.215 0.000 1.153 44 L CA 0.321 54.175 54.840 -1.642 0.000 0.851 44 L CB -0.874 40.451 42.059 -1.224 0.000 0.959 44 L HN 0.280 nan 8.230 nan 0.000 0.451 45 N N 0.739 119.042 118.700 -0.663 0.000 2.244 45 N HA -0.138 4.602 4.740 0.000 0.000 0.183 45 N C 0.660 176.132 175.510 -0.064 0.000 1.016 45 N CA 0.987 53.884 53.050 -0.255 0.000 0.866 45 N CB 0.097 38.504 38.487 -0.134 0.000 0.980 45 N HN 0.251 nan 8.380 nan 0.000 0.430 46 F N 0.057 120.044 119.950 0.062 0.000 2.988 46 F HA -0.254 4.273 4.527 0.000 0.000 0.287 46 F C -0.246 175.587 175.800 0.055 0.000 0.781 46 F CA 0.287 58.344 58.000 0.094 0.000 1.221 46 F CB -2.064 37.008 39.000 0.120 0.000 1.392 46 F HN 0.001 nan 8.300 nan 0.000 0.425 47 D N -0.182 120.305 120.400 0.145 0.000 2.733 47 D HA -0.191 4.449 4.640 0.000 0.000 0.232 47 D C -0.328 175.979 176.300 0.012 0.000 1.161 47 D CA 0.986 55.024 54.000 0.064 0.000 0.653 47 D CB -0.654 40.187 40.800 0.068 0.000 1.052 47 D HN 0.149 nan 8.370 nan 0.000 0.424 48 L N 0.266 121.484 121.223 -0.008 0.000 2.365 48 L HA 0.325 4.665 4.340 0.000 0.000 0.273 48 L C -1.170 175.453 176.870 -0.413 0.000 1.000 48 L CA -2.010 52.704 54.840 -0.211 0.000 0.819 48 L CB 1.632 43.651 42.059 -0.065 0.000 1.284 48 L HN -0.304 nan 8.230 nan 0.000 0.418 49 P HA -0.158 nan 4.420 nan 0.000 0.216 49 P C 0.756 177.758 177.300 -0.496 0.000 1.150 49 P CA 1.578 64.248 63.100 -0.717 0.000 0.837 49 P CB -0.007 31.082 31.700 -1.017 0.000 0.786 50 W N 0.599 121.921 121.300 0.038 0.000 3.047 50 W HA 0.183 4.843 4.660 0.000 0.000 0.250 50 W C 1.239 177.801 176.519 0.072 0.000 1.314 50 W CA 1.150 58.516 57.345 0.034 0.000 1.540 50 W CB -1.681 27.792 29.460 0.021 0.000 1.127 50 W HN 0.015 nan 8.180 nan 0.000 0.679 51 T N -3.075 111.594 114.554 0.192 0.000 3.043 51 T HA 0.205 4.555 4.350 0.000 0.000 0.272 51 T C 0.793 175.632 174.700 0.233 0.000 0.990 51 T CA 0.129 62.398 62.100 0.282 0.000 0.897 51 T CB -0.645 68.462 68.868 0.398 0.000 1.111 51 T HN 0.023 nan 8.240 nan 0.000 0.529 52 S N 0.515 116.279 115.700 0.106 0.000 2.585 52 S HA 0.372 4.842 4.470 0.000 0.000 0.273 52 S C 0.889 175.560 174.600 0.119 0.000 1.339 52 S CA -0.756 57.493 58.200 0.082 0.000 1.028 52 S CB 0.403 63.612 63.200 0.014 0.000 0.906 52 S HN 0.215 nan 8.310 nan 0.000 0.528 53 F N 2.882 122.807 119.950 -0.041 0.000 2.095 53 F HA 0.059 4.586 4.527 0.000 0.000 0.298 53 F C 2.302 178.096 175.800 -0.011 0.000 1.104 53 F CA 2.202 60.174 58.000 -0.048 0.000 1.232 53 F CB -1.036 37.898 39.000 -0.109 0.000 0.987 53 F HN 0.787 nan 8.300 nan 0.000 0.475 54 G N -0.040 108.829 108.800 0.115 0.000 2.450 54 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 54 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 54 G C 1.809 176.671 174.900 -0.064 0.000 1.130 54 G CA 0.845 45.959 45.100 0.023 0.000 0.760 54 G HN 0.348 nan 8.290 nan 0.000 0.557 55 R N -0.648 119.827 120.500 -0.041 0.000 2.128 55 R HA 0.300 4.640 4.340 0.000 0.000 0.211 55 R C 2.521 178.805 176.300 -0.027 0.000 1.067 55 R CA 0.014 56.099 56.100 -0.024 0.000 1.010 55 R CB -0.315 29.992 30.300 0.012 0.000 0.922 55 R HN 0.291 nan 8.270 nan 0.000 0.457 56 L N 0.541 121.743 121.223 -0.036 0.000 2.141 56 L HA -0.108 4.232 4.340 0.000 0.000 0.209 56 L C 2.740 179.558 176.870 -0.087 0.000 1.094 56 L CA 1.100 55.934 54.840 -0.010 0.000 0.763 56 L CB -0.421 41.681 42.059 0.071 0.000 0.908 56 L HN 0.193 nan 8.230 nan 0.000 0.437 57 R N 0.601 120.928 120.500 -0.288 0.000 2.103 57 R HA -0.182 4.158 4.340 0.000 0.000 0.234 57 R C -0.446 175.819 176.300 -0.058 0.000 1.132 57 R CA 2.318 58.237 56.100 -0.303 0.000 0.925 57 R CB -1.267 28.710 30.300 -0.537 0.000 0.842 57 R HN 0.247 nan 8.270 nan 0.000 0.430 58 P HA -0.176 nan 4.420 nan 0.000 0.225 58 P C 1.480 178.793 177.300 0.022 0.000 1.148 58 P CA 1.158 64.247 63.100 -0.018 0.000 0.779 58 P CB -0.132 31.549 31.700 -0.033 0.000 0.780 59 L N -0.642 120.600 121.223 0.033 0.000 2.027 59 L HA -0.189 4.151 4.340 0.000 0.000 0.206 59 L C 2.889 179.819 176.870 0.100 0.000 1.074 59 L CA 1.947 56.822 54.840 0.060 0.000 0.745 59 L CB -0.936 41.166 42.059 0.072 0.000 0.898 59 L HN 0.076 nan 8.230 nan 0.000 0.433 60 H N -0.663 118.433 119.070 0.043 0.000 2.289 60 H HA -0.213 4.343 4.556 0.000 0.000 0.296 60 H C 2.060 177.446 175.328 0.097 0.000 1.091 60 H CA 2.565 58.660 56.048 0.079 0.000 1.274 60 H CB -0.466 29.338 29.762 0.070 0.000 1.364 60 H HN 0.145 nan 8.280 nan 0.000 0.490 61 T N 0.374 114.859 114.554 -0.115 0.000 2.607 61 T HA -0.214 4.136 4.350 0.000 0.000 0.267 61 T C 1.930 176.618 174.700 -0.021 0.000 1.049 61 T CA 1.807 63.846 62.100 -0.101 0.000 1.162 61 T CB -0.353 68.543 68.868 0.046 0.000 0.863 61 T HN 0.521 nan 8.240 nan 0.000 0.424 62 N N 0.494 119.242 118.700 0.080 0.000 2.188 62 N HA -0.030 4.710 4.740 0.000 0.000 0.184 62 N C 2.222 177.799 175.510 0.111 0.000 1.018 62 N CA 1.012 54.183 53.050 0.201 0.000 0.858 62 N CB -0.181 38.407 38.487 0.170 0.000 0.989 62 N HN 0.361 nan 8.380 nan 0.000 0.426 63 A N 1.029 123.873 122.820 0.039 0.000 1.883 63 A HA -0.113 4.207 4.320 0.000 0.000 0.217 63 A C 2.436 180.095 177.584 0.125 0.000 1.186 63 A CA 1.323 53.388 52.037 0.047 0.000 0.624 63 A CB -0.884 18.184 19.000 0.113 0.000 0.822 63 A HN 0.150 nan 8.150 nan 0.000 0.444 64 V N -0.452 119.487 119.914 0.041 0.000 2.488 64 V HA -0.123 3.997 4.120 0.000 0.000 0.246 64 V C 2.279 178.449 176.094 0.128 0.000 1.046 64 V CA 1.774 64.117 62.300 0.071 0.000 1.053 64 V CB -0.254 31.465 31.823 -0.172 0.000 0.679 64 V HN 0.566 nan 8.190 nan 0.000 0.458 65 I N -1.402 119.118 120.570 -0.084 0.000 2.260 65 I HA -0.099 4.071 4.170 0.000 0.000 0.237 65 I C 2.077 178.069 176.117 -0.208 0.000 1.075 65 I CA 1.525 62.645 61.300 -0.299 0.000 1.376 65 I CB -0.297 37.224 38.000 -0.797 0.000 1.107 65 I HN 0.232 nan 8.210 nan 0.000 0.420 66 F N 0.656 120.664 119.950 0.097 0.000 2.335 66 F HA 0.057 4.584 4.527 -0.000 0.000 0.296 66 F C 2.409 178.495 175.800 0.478 0.000 1.091 66 F CA 0.935 59.112 58.000 0.294 0.000 1.399 66 F CB -0.870 38.168 39.000 0.064 0.000 1.067 66 F HN -0.025 nan 8.300 nan 0.000 0.520 67 A N -0.107 122.912 122.820 0.332 0.000 1.850 67 A HA -0.051 4.269 4.320 0.000 0.000 0.212 67 A C 2.009 179.877 177.584 0.475 0.000 1.208 67 A CA 0.989 53.127 52.037 0.169 0.000 0.609 67 A CB -1.254 17.563 19.000 -0.305 0.000 0.860 67 A HN 0.297 nan 8.150 nan 0.000 0.448 68 F N 1.047 121.198 119.950 0.336 0.000 2.022 68 F HA 0.103 4.630 4.527 0.000 0.000 0.293 68 F C 2.381 178.386 175.800 0.340 0.000 1.142 68 F CA 1.826 60.037 58.000 0.352 0.000 1.177 68 F CB -0.974 38.183 39.000 0.261 0.000 0.982 68 F HN 0.202 nan 8.300 nan 0.000 0.473 69 G N -0.136 108.720 108.800 0.094 0.000 2.513 69 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 69 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 69 G C 1.902 176.974 174.900 0.286 0.000 1.160 69 G CA 1.012 46.223 45.100 0.185 0.000 0.767 69 G HN 0.740 nan 8.290 nan 0.000 0.571 70 G N 0.074 109.214 108.800 0.566 0.000 2.514 70 G HA2 -0.317 3.643 3.960 0.000 0.000 0.217 70 G HA3 -0.317 3.643 3.960 0.000 0.000 0.217 70 G C 1.911 176.943 174.900 0.220 0.000 1.198 70 G CA 1.443 46.897 45.100 0.591 0.000 0.780 70 G HN 0.476 nan 8.290 nan 0.000 0.565 71 C N 0.857 120.387 119.300 0.384 0.000 2.440 71 C HA 0.220 4.680 4.460 0.000 0.000 0.278 71 C C 3.547 178.560 174.990 0.039 0.000 1.295 71 C CA 0.682 59.913 59.018 0.354 0.000 1.738 71 C CB -1.009 27.108 27.740 0.629 0.000 1.987 71 C HN 0.596 nan 8.230 nan 0.000 0.492 72 A N 0.262 123.025 122.820 -0.096 0.000 1.883 72 A HA -0.150 4.170 4.320 0.000 0.000 0.217 72 A C 1.962 179.310 177.584 -0.393 0.000 1.186 72 A CA 1.604 53.484 52.037 -0.261 0.000 0.624 72 A CB -0.594 18.181 19.000 -0.375 0.000 0.822 72 A HN 0.437 nan 8.150 nan 0.000 0.444 73 L N -1.662 119.231 121.223 -0.548 0.000 2.046 73 L HA -0.067 4.273 4.340 0.000 0.000 0.208 73 L C 2.351 178.762 176.870 -0.766 0.000 1.077 73 L CA 1.516 55.910 54.840 -0.744 0.000 0.747 73 L CB -1.452 40.037 42.059 -0.950 0.000 0.896 73 L HN 0.458 nan 8.230 nan 0.000 0.432 74 F N -0.514 118.875 119.950 -0.936 0.000 2.075 74 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 74 F C 2.491 177.736 175.800 -0.926 0.000 1.113 74 F CA 1.477 58.641 58.000 -1.392 0.000 1.218 74 F CB -0.790 36.752 39.000 -2.430 0.000 0.984 74 F HN 0.089 nan 8.300 nan 0.000 0.472 75 A N -0.527 122.085 122.820 -0.348 0.000 1.883 75 A HA -0.205 4.115 4.320 0.000 0.000 0.217 75 A C 2.193 179.732 177.584 -0.074 0.000 1.186 75 A CA 2.457 54.452 52.037 -0.070 0.000 0.624 75 A CB -1.345 17.660 19.000 0.008 0.000 0.822 75 A HN 0.372 nan 8.150 nan 0.000 0.444 76 T N 0.325 114.785 114.554 -0.157 0.000 2.701 76 T HA -0.142 4.208 4.350 0.000 0.000 0.263 76 T C 2.441 177.061 174.700 -0.135 0.000 1.040 76 T CA 2.206 64.298 62.100 -0.014 0.000 1.147 76 T CB -0.475 68.384 68.868 -0.016 0.000 0.865 76 T HN 0.805 nan 8.240 nan 0.000 0.426 77 S N 0.771 116.155 115.700 -0.527 0.000 2.368 77 S HA -0.128 4.342 4.470 0.000 0.000 0.225 77 S C 1.925 176.376 174.600 -0.248 0.000 1.030 77 S CA 1.011 58.679 58.200 -0.886 0.000 0.999 77 S CB -1.165 61.356 63.200 -1.133 0.000 0.844 77 S HN 0.675 nan 8.310 nan 0.000 0.459 78 Y N -0.105 120.100 120.300 -0.159 0.000 2.181 78 Y HA -0.164 4.386 4.550 0.000 0.000 0.288 78 Y C 2.619 178.470 175.900 -0.082 0.000 1.146 78 Y CA 1.211 59.282 58.100 -0.049 0.000 1.164 78 Y CB -0.378 38.110 38.460 0.047 0.000 0.982 78 Y HN 0.327 nan 8.280 nan 0.000 0.515 79 Y N 0.275 120.549 120.300 -0.044 0.000 2.070 79 Y HA -0.319 4.231 4.550 0.000 0.000 0.279 79 Y C 2.911 178.586 175.900 -0.375 0.000 1.134 79 Y CA 1.734 59.717 58.100 -0.195 0.000 1.113 79 Y CB -0.920 37.445 38.460 -0.158 0.000 0.981 79 Y HN 0.013 nan 8.280 nan 0.000 0.487 80 S N -0.741 114.731 115.700 -0.380 0.000 2.368 80 S HA -0.261 4.209 4.470 0.000 0.000 0.226 80 S C 2.207 176.511 174.600 -0.493 0.000 1.044 80 S CA 1.899 59.683 58.200 -0.694 0.000 1.062 80 S CB -1.226 61.777 63.200 -0.329 0.000 0.931 80 S HN 0.441 nan 8.310 nan 0.000 0.440 81 V N 1.413 121.143 119.914 -0.307 0.000 2.287 81 V HA -0.205 3.915 4.120 0.000 0.000 0.248 81 V C 2.552 178.471 176.094 -0.291 0.000 1.053 81 V CA 2.560 64.699 62.300 -0.269 0.000 1.027 81 V CB -0.788 30.827 31.823 -0.346 0.000 0.646 81 V HN 0.622 nan 8.190 nan 0.000 0.447 82 Q N -0.698 118.919 119.800 -0.305 0.000 2.045 82 Q HA -0.263 4.077 4.340 0.000 0.000 0.206 82 Q C 2.432 178.190 176.000 -0.404 0.000 0.991 82 Q CA 2.400 58.032 55.803 -0.286 0.000 0.851 82 Q CB -0.201 28.358 28.738 -0.298 0.000 0.911 82 Q HN 0.621 nan 8.270 nan 0.000 0.418 83 R N -0.733 119.339 120.500 -0.714 0.000 2.073 83 R HA -0.042 4.298 4.340 0.000 0.000 0.229 83 R C 2.340 178.491 176.300 -0.249 0.000 1.120 83 R CA 1.428 57.159 56.100 -0.615 0.000 0.967 83 R CB -0.546 29.297 30.300 -0.761 0.000 0.862 83 R HN 0.126 nan 8.270 nan 0.000 0.436 84 T N 0.097 114.494 114.554 -0.263 0.000 2.977 84 T HA -0.098 4.252 4.350 0.000 0.000 0.271 84 T C 1.484 176.141 174.700 -0.073 0.000 1.105 84 T CA 1.314 63.339 62.100 -0.124 0.000 1.116 84 T CB -0.116 68.731 68.868 -0.035 0.000 0.878 84 T HN 0.596 nan 8.240 nan 0.000 0.509 85 C N -0.314 118.936 119.300 -0.083 0.000 3.911 85 C HA 0.486 4.946 4.460 0.000 0.000 0.318 85 C C 0.475 175.460 174.990 -0.008 0.000 1.643 85 C CA -0.708 58.284 59.018 -0.043 0.000 1.845 85 C CB -0.519 27.184 27.740 -0.063 0.000 2.981 85 C HN 0.489 nan 8.230 nan 0.000 0.656 86 Q N 1.764 121.591 119.800 0.046 0.000 2.470 86 Q HA -0.129 4.211 4.340 0.000 0.000 0.290 86 Q C -0.207 175.858 176.000 0.108 0.000 1.353 86 Q CA 1.511 57.405 55.803 0.152 0.000 0.787 86 Q CB -2.371 26.406 28.738 0.065 0.000 1.158 86 Q HN 0.964 nan 8.270 nan 0.000 0.426 87 T N -3.963 110.684 114.554 0.155 0.000 2.843 87 T HA 0.474 4.824 4.350 0.000 0.000 0.302 87 T C 0.057 174.842 174.700 0.142 0.000 1.232 87 T CA -0.707 61.434 62.100 0.069 0.000 1.009 87 T CB 1.990 70.865 68.868 0.012 0.000 1.254 87 T HN -0.006 nan 8.240 nan 0.000 0.504 88 T N 2.131 116.724 114.554 0.064 0.000 2.926 88 T HA 0.277 4.627 4.350 0.000 0.000 0.307 88 T C 0.659 175.391 174.700 0.054 0.000 1.059 88 T CA -0.422 61.725 62.100 0.078 0.000 1.122 88 T CB -0.062 68.807 68.868 0.003 0.000 0.972 88 T HN 0.441 nan 8.240 nan 0.000 0.545 89 L N 3.281 124.519 121.223 0.025 0.000 2.615 89 L HA 0.029 4.369 4.340 0.000 0.000 0.284 89 L C 0.541 177.426 176.870 0.026 0.000 1.237 89 L CA -0.068 54.759 54.840 -0.023 0.000 0.905 89 L CB -0.036 41.938 42.059 -0.141 0.000 1.149 89 L HN 0.634 nan 8.230 nan 0.000 0.499 90 F N 5.287 125.192 119.950 -0.075 0.000 2.578 90 F HA 0.283 4.810 4.527 -0.000 0.000 0.381 90 F C 0.916 176.702 175.800 -0.024 0.000 1.069 90 F CA -0.065 57.910 58.000 -0.042 0.000 1.231 90 F CB 0.341 39.322 39.000 -0.032 0.000 1.086 90 F HN 0.710 nan 8.300 nan 0.000 0.564 91 A N 6.135 128.533 122.820 -0.705 0.000 1.900 91 A HA -0.161 4.159 4.320 0.000 0.000 0.251 91 A C -1.891 175.549 177.584 -0.240 0.000 1.334 91 A CA 0.181 51.889 52.037 -0.548 0.000 0.728 91 A CB -1.564 16.988 19.000 -0.747 0.000 1.197 91 A HN 0.688 nan 8.150 nan 0.000 0.278 92 P HA -0.153 nan 4.420 nan 0.000 0.221 92 P C 1.287 178.570 177.300 -0.028 0.000 1.150 92 P CA 1.390 64.438 63.100 -0.087 0.000 0.800 92 P CB 0.102 31.767 31.700 -0.058 0.000 0.787 93 K N -0.495 119.893 120.400 -0.020 0.000 2.062 93 K HA -0.056 4.264 4.320 0.000 0.000 0.205 93 K C 2.157 178.824 176.600 0.112 0.000 1.051 93 K CA 0.722 57.038 56.287 0.049 0.000 0.941 93 K CB -0.818 31.697 32.500 0.025 0.000 0.719 93 K HN 0.077 nan 8.250 nan 0.000 0.440 94 L N 1.369 122.626 121.223 0.057 0.000 2.191 94 L HA -0.119 4.221 4.340 0.000 0.000 0.212 94 L C 2.185 179.221 176.870 0.277 0.000 1.103 94 L CA 1.421 56.352 54.840 0.153 0.000 0.769 94 L CB -0.429 41.661 42.059 0.052 0.000 0.908 94 L HN 0.116 nan 8.230 nan 0.000 0.438 95 A N -0.865 122.047 122.820 0.154 0.000 1.929 95 A HA 0.000 4.320 4.320 0.000 0.000 0.216 95 A C 2.443 180.191 177.584 0.273 0.000 1.176 95 A CA 1.323 53.463 52.037 0.171 0.000 0.628 95 A CB -0.924 17.968 19.000 -0.180 0.000 0.816 95 A HN 0.501 nan 8.150 nan 0.000 0.444 96 A N -0.754 122.202 122.820 0.226 0.000 1.902 96 A HA -0.056 4.264 4.320 0.000 0.000 0.217 96 A C 2.011 179.842 177.584 0.411 0.000 1.181 96 A CA 1.621 53.825 52.037 0.279 0.000 0.623 96 A CB -0.773 18.389 19.000 0.270 0.000 0.818 96 A HN 0.742 nan 8.150 nan 0.000 0.443 97 F N 2.237 122.353 119.950 0.277 0.000 2.065 97 F HA -0.241 4.286 4.527 0.000 0.000 0.298 97 F C 2.636 178.604 175.800 0.280 0.000 1.112 97 F CA 2.645 60.814 58.000 0.283 0.000 1.212 97 F CB -0.929 38.194 39.000 0.204 0.000 0.975 97 F HN 0.324 nan 8.300 nan 0.000 0.476 98 T N -1.707 112.927 114.554 0.133 0.000 2.977 98 T HA -0.238 4.112 4.350 0.000 0.000 0.271 98 T C 1.850 176.551 174.700 0.001 0.000 1.105 98 T CA 1.288 63.400 62.100 0.021 0.000 1.116 98 T CB -1.357 67.693 68.868 0.304 0.000 0.878 98 T HN 0.478 nan 8.240 nan 0.000 0.509 99 F N 0.331 120.201 119.950 -0.134 0.000 2.074 99 F HA 0.136 4.663 4.527 0.000 0.000 0.290 99 F C 1.972 177.491 175.800 -0.468 0.000 1.118 99 F CA 0.646 58.284 58.000 -0.603 0.000 1.199 99 F CB -0.276 38.129 39.000 -0.993 0.000 1.012 99 F HN 0.110 nan 8.300 nan 0.000 0.472 100 W N 0.936 122.008 121.300 -0.381 0.000 2.363 100 W HA -0.018 4.642 4.660 -0.000 0.000 0.296 100 W C 2.625 178.927 176.519 -0.362 0.000 1.212 100 W CA 1.097 58.194 57.345 -0.413 0.000 1.260 100 W CB -1.269 28.118 29.460 -0.122 0.000 1.131 100 W HN 0.216 nan 8.180 nan 0.000 0.530 101 G N 0.371 109.030 108.800 -0.235 0.000 2.491 101 G HA2 -0.327 3.633 3.960 0.000 0.000 0.218 101 G HA3 -0.327 3.633 3.960 0.000 0.000 0.218 101 G C 1.319 176.142 174.900 -0.128 0.000 1.180 101 G CA 1.047 45.932 45.100 -0.358 0.000 0.774 101 G HN 0.383 nan 8.290 nan 0.000 0.562 102 W N 0.720 121.821 121.300 -0.332 0.000 2.388 102 W HA -0.072 4.588 4.660 0.000 0.000 0.294 102 W C 2.539 178.913 176.519 -0.242 0.000 1.212 102 W CA 1.321 58.528 57.345 -0.230 0.000 1.271 102 W CB 0.135 29.439 29.460 -0.261 0.000 1.126 102 W HN 0.236 nan 8.180 nan 0.000 0.535 103 Q N 0.291 119.929 119.800 -0.269 0.000 2.079 103 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 103 Q C 2.361 178.250 176.000 -0.186 0.000 0.974 103 Q CA 1.012 56.659 55.803 -0.259 0.000 0.840 103 Q CB -1.157 27.352 28.738 -0.381 0.000 0.898 103 Q HN 0.354 nan 8.270 nan 0.000 0.430 104 L N 0.512 121.650 121.223 -0.142 0.000 2.079 104 L HA -0.152 4.188 4.340 0.000 0.000 0.210 104 L C 2.137 178.885 176.870 -0.204 0.000 1.081 104 L CA 1.134 55.906 54.840 -0.112 0.000 0.752 104 L CB -0.330 41.692 42.059 -0.061 0.000 0.896 104 L HN 0.055 nan 8.230 nan 0.000 0.433 105 V N 0.509 120.233 119.914 -0.318 0.000 2.261 105 V HA -0.330 3.790 4.120 0.000 0.000 0.246 105 V C 2.505 178.315 176.094 -0.473 0.000 1.047 105 V CA 2.074 64.117 62.300 -0.430 0.000 1.015 105 V CB -0.296 31.128 31.823 -0.666 0.000 0.642 105 V HN 0.347 nan 8.190 nan 0.000 0.446 106 I N -0.664 119.544 120.570 -0.604 0.000 2.163 106 I HA -0.293 3.877 4.170 0.000 0.000 0.243 106 I C 2.387 178.259 176.117 -0.409 0.000 1.085 106 I CA 1.615 62.541 61.300 -0.624 0.000 1.347 106 I CB -0.368 37.037 38.000 -0.992 0.000 1.044 106 I HN 0.245 nan 8.210 nan 0.000 0.408 107 L N -0.140 120.930 121.223 -0.256 0.000 2.042 107 L HA -0.247 4.093 4.340 0.000 0.000 0.210 107 L C 2.360 179.166 176.870 -0.105 0.000 1.076 107 L CA 1.267 56.049 54.840 -0.096 0.000 0.749 107 L CB -0.177 41.875 42.059 -0.012 0.000 0.893 107 L HN 0.195 nan 8.230 nan 0.000 0.432 108 L N -0.731 120.403 121.223 -0.147 0.000 2.083 108 L HA -0.149 4.191 4.340 0.000 0.000 0.209 108 L C 2.693 179.489 176.870 -0.124 0.000 1.083 108 L CA 1.946 56.705 54.840 -0.136 0.000 0.752 108 L CB -1.524 40.435 42.059 -0.165 0.000 0.899 108 L HN 0.270 nan 8.230 nan 0.000 0.433 109 A N -0.650 122.071 122.820 -0.166 0.000 1.877 109 A HA -0.180 4.140 4.320 0.000 0.000 0.216 109 A C 2.512 180.055 177.584 -0.069 0.000 1.186 109 A CA 1.952 53.910 52.037 -0.132 0.000 0.620 109 A CB -0.936 17.951 19.000 -0.188 0.000 0.822 109 A HN 0.399 nan 8.150 nan 0.000 0.443 110 A N -0.217 122.557 122.820 -0.077 0.000 1.883 110 A HA -0.134 4.186 4.320 0.000 0.000 0.217 110 A C 2.146 179.738 177.584 0.013 0.000 1.186 110 A CA 1.776 53.805 52.037 -0.013 0.000 0.624 110 A CB -0.620 18.388 19.000 0.014 0.000 0.822 110 A HN 0.517 nan 8.150 nan 0.000 0.444 111 I N 0.019 120.589 120.570 -0.001 0.000 2.333 111 I HA -0.179 3.991 4.170 0.000 0.000 0.246 111 I C 2.889 179.048 176.117 0.071 0.000 1.106 111 I CA 1.430 62.740 61.300 0.016 0.000 1.411 111 I CB -0.189 37.805 38.000 -0.010 0.000 1.082 111 I HN 0.500 nan 8.210 nan 0.000 0.420 112 S N 1.163 116.905 115.700 0.071 0.000 2.387 112 S HA -0.054 4.416 4.470 0.000 0.000 0.226 112 S C 2.005 176.730 174.600 0.207 0.000 1.026 112 S CA 0.764 59.083 58.200 0.199 0.000 0.972 112 S CB -0.625 62.625 63.200 0.084 0.000 0.814 112 S HN 0.376 nan 8.310 nan 0.000 0.477 113 L N 1.208 122.487 121.223 0.093 0.000 2.072 113 L HA 0.111 4.451 4.340 0.000 0.000 0.205 113 L C -0.734 176.170 176.870 0.057 0.000 1.079 113 L CA 0.805 55.681 54.840 0.060 0.000 0.752 113 L CB -1.273 40.804 42.059 0.030 0.000 0.906 113 L HN 0.283 nan 8.230 nan 0.000 0.436 114 P HA -0.091 nan 4.420 nan 0.000 0.222 114 P C 1.555 178.967 177.300 0.188 0.000 1.153 114 P CA 0.688 63.875 63.100 0.144 0.000 0.798 114 P CB 0.162 31.969 31.700 0.179 0.000 0.796 115 L N -1.260 120.038 121.223 0.126 0.000 2.549 115 L HA 0.117 4.457 4.340 0.000 0.000 0.229 115 L C 1.720 178.387 176.870 -0.339 0.000 1.158 115 L CA 1.703 56.567 54.840 0.040 0.000 0.842 115 L CB -1.582 40.570 42.059 0.154 0.000 0.952 115 L HN 0.191 nan 8.230 nan 0.000 0.452 116 G N -2.140 106.503 108.800 -0.262 0.000 2.176 116 G HA2 -0.286 3.674 3.960 0.000 0.000 0.232 116 G HA3 -0.286 3.674 3.960 0.000 0.000 0.232 116 G C 0.269 174.942 174.900 -0.378 0.000 0.986 116 G CA -0.127 44.775 45.100 -0.330 0.000 0.643 116 G HN 0.193 nan 8.290 nan 0.000 0.522 117 F N 2.485 122.438 119.950 0.005 0.000 2.566 117 F HA 0.596 5.123 4.527 0.000 0.000 0.349 117 F C 0.876 176.653 175.800 -0.038 0.000 1.245 117 F CA 0.355 58.339 58.000 -0.026 0.000 1.169 117 F CB 0.980 39.949 39.000 -0.053 0.000 1.470 117 F HN 0.086 nan 8.300 nan 0.000 0.634 118 T N -0.250 114.354 114.554 0.084 0.000 2.916 118 T HA 0.293 4.643 4.350 0.000 0.000 0.298 118 T C 0.883 175.598 174.700 0.026 0.000 1.031 118 T CA -0.298 61.824 62.100 0.037 0.000 0.993 118 T CB 1.345 70.217 68.868 0.006 0.000 1.045 118 T HN 0.438 nan 8.240 nan 0.000 0.454 119 S N 2.723 118.428 115.700 0.009 0.000 2.515 119 S HA 0.038 4.508 4.470 0.000 0.000 0.231 119 S C 1.688 176.291 174.600 0.005 0.000 0.987 119 S CA 1.146 59.350 58.200 0.006 0.000 0.936 119 S CB -0.680 62.511 63.200 -0.015 0.000 0.766 119 S HN 2.127 nan 8.310 nan 0.000 0.528 120 S N -0.089 115.607 115.700 -0.005 0.000 2.450 120 S HA -0.272 4.198 4.470 0.000 0.000 0.248 120 S C 0.022 174.601 174.600 -0.034 0.000 1.240 120 S CA 1.242 59.438 58.200 -0.007 0.000 1.532 120 S CB -2.377 60.836 63.200 0.021 0.000 1.941 120 S HN 0.738 nan 8.310 nan 0.000 0.623 121 K N 2.546 122.911 120.400 -0.060 0.000 2.416 121 K HA 0.210 4.530 4.320 0.000 0.000 0.283 121 K C 0.249 176.758 176.600 -0.152 0.000 1.037 121 K CA 0.163 56.380 56.287 -0.117 0.000 0.995 121 K CB 0.247 32.656 32.500 -0.150 0.000 0.938 121 K HN 0.501 nan 8.250 nan 0.000 0.475 122 E N 2.682 122.751 120.200 -0.219 0.000 2.417 122 E HA -0.100 4.250 4.350 0.000 0.000 0.261 122 E C -0.557 175.900 176.600 -0.239 0.000 1.000 122 E CA 0.402 56.572 56.400 -0.383 0.000 0.919 122 E CB 0.067 29.515 29.700 -0.421 0.000 0.955 122 E HN 0.509 nan 8.360 nan 0.000 0.455 123 Y N 0.215 120.601 120.300 0.143 0.000 4.668 123 Y HA -0.315 4.235 4.550 0.000 0.000 0.234 123 Y C 0.475 176.577 175.900 0.337 0.000 1.056 123 Y CA 0.443 58.721 58.100 0.297 0.000 2.025 123 Y CB -1.808 36.819 38.460 0.279 0.000 1.613 123 Y HN 0.564 nan 8.280 nan 0.000 0.653 124 A N -0.503 122.407 122.820 0.149 0.000 2.579 124 A HA 0.315 4.635 4.320 0.000 0.000 0.254 124 A C 1.229 178.765 177.584 -0.081 0.000 0.873 124 A CA -0.072 51.937 52.037 -0.047 0.000 1.106 124 A CB 0.212 18.983 19.000 -0.381 0.000 1.222 124 A HN 0.382 nan 8.150 nan 0.000 0.470 125 E N 0.206 120.382 120.200 -0.040 0.000 2.285 125 E HA 0.005 4.355 4.350 0.000 0.000 0.194 125 E C 0.139 176.715 176.600 -0.039 0.000 0.997 125 E CA 0.151 56.526 56.400 -0.043 0.000 0.845 125 E CB -0.223 29.457 29.700 -0.034 0.000 0.782 125 E HN 0.677 nan 8.360 nan 0.000 0.491 126 L N 2.532 123.717 121.223 -0.062 0.000 2.485 126 L HA 0.026 4.366 4.340 0.000 0.000 0.275 126 L C 1.042 177.878 176.870 -0.058 0.000 1.207 126 L CA 0.085 54.882 54.840 -0.072 0.000 0.855 126 L CB 0.236 42.219 42.059 -0.127 0.000 1.114 126 L HN -0.084 nan 8.230 nan 0.000 0.485 127 E N 2.605 122.764 120.200 -0.069 0.000 2.392 127 E HA -0.068 4.282 4.350 0.000 0.000 0.256 127 E C 0.853 177.381 176.600 -0.121 0.000 1.145 127 E CA -0.173 56.184 56.400 -0.073 0.000 0.929 127 E CB 0.676 30.314 29.700 -0.105 0.000 0.998 127 E HN 0.695 nan 8.360 nan 0.000 0.442 128 W N 1.724 122.979 121.300 -0.074 0.000 2.305 128 W HA -0.164 4.496 4.660 -0.000 0.000 0.308 128 W C -1.275 175.214 176.519 -0.049 0.000 1.226 128 W CA 1.237 58.541 57.345 -0.067 0.000 1.253 128 W CB -2.252 27.165 29.460 -0.072 0.000 1.146 128 W HN 0.403 nan 8.180 nan 0.000 0.507 129 P HA -0.148 nan 4.420 nan 0.000 0.217 129 P C 1.926 179.077 177.300 -0.248 0.000 1.150 129 P CA 2.128 64.844 63.100 -0.641 0.000 0.832 129 P CB -0.364 30.779 31.700 -0.928 0.000 0.787 130 I N -0.471 119.954 120.570 -0.242 0.000 2.315 130 I HA -0.188 3.982 4.170 0.000 0.000 0.248 130 I C 1.728 177.823 176.117 -0.036 0.000 1.117 130 I CA 1.335 62.547 61.300 -0.146 0.000 1.404 130 I CB -0.680 37.212 38.000 -0.181 0.000 1.071 130 I HN -0.094 nan 8.210 nan 0.000 0.419 131 D N 1.111 121.530 120.400 0.032 0.000 2.144 131 D HA -0.137 4.503 4.640 0.000 0.000 0.199 131 D C 2.264 178.712 176.300 0.247 0.000 0.984 131 D CA 1.350 55.464 54.000 0.189 0.000 0.834 131 D CB -0.156 40.708 40.800 0.106 0.000 0.955 131 D HN 0.357 nan 8.370 nan 0.000 0.465 132 I N 0.471 121.146 120.570 0.176 0.000 2.179 132 I HA -0.256 3.914 4.170 0.000 0.000 0.242 132 I C 2.416 178.639 176.117 0.177 0.000 1.088 132 I CA 0.575 61.988 61.300 0.188 0.000 1.357 132 I CB -0.196 37.917 38.000 0.189 0.000 1.051 132 I HN -0.005 nan 8.210 nan 0.000 0.409 133 L N 1.012 122.304 121.223 0.115 0.000 2.012 133 L HA -0.205 4.135 4.340 0.000 0.000 0.210 133 L C 2.371 179.338 176.870 0.162 0.000 1.073 133 L CA 1.860 56.770 54.840 0.118 0.000 0.748 133 L CB -0.464 41.613 42.059 0.029 0.000 0.891 133 L HN 0.111 nan 8.230 nan 0.000 0.431 134 I N -0.791 119.843 120.570 0.107 0.000 2.091 134 I HA -0.412 3.758 4.170 0.000 0.000 0.239 134 I C 2.283 178.549 176.117 0.249 0.000 1.061 134 I CA 2.107 63.475 61.300 0.114 0.000 1.317 134 I CB -0.906 36.992 38.000 -0.170 0.000 1.031 134 I HN 0.340 nan 8.210 nan 0.000 0.401 135 T N 1.100 115.814 114.554 0.268 0.000 2.665 135 T HA -0.213 4.137 4.350 0.000 0.000 0.268 135 T C 1.874 176.798 174.700 0.373 0.000 1.035 135 T CA 1.728 64.036 62.100 0.348 0.000 1.151 135 T CB -0.486 68.583 68.868 0.335 0.000 0.862 135 T HN 0.249 nan 8.240 nan 0.000 0.438 136 I N 0.702 121.473 120.570 0.336 0.000 2.179 136 I HA -0.167 4.003 4.170 0.000 0.000 0.242 136 I C 2.529 178.941 176.117 0.491 0.000 1.088 136 I CA 1.013 62.534 61.300 0.368 0.000 1.357 136 I CB -0.465 37.743 38.000 0.346 0.000 1.051 136 I HN 0.086 nan 8.210 nan 0.000 0.409 137 V N -0.128 120.077 119.914 0.484 0.000 2.343 137 V HA -0.307 3.813 4.120 0.000 0.000 0.247 137 V C 2.120 178.543 176.094 0.548 0.000 1.051 137 V CA 1.764 64.350 62.300 0.477 0.000 1.036 137 V CB -0.708 31.341 31.823 0.377 0.000 0.654 137 V HN 0.595 nan 8.190 nan 0.000 0.451 138 W N 0.249 121.762 121.300 0.356 0.000 2.379 138 W HA -0.162 4.498 4.660 0.000 0.000 0.307 138 W C 2.400 179.108 176.519 0.315 0.000 1.200 138 W CA 1.903 59.447 57.345 0.331 0.000 1.297 138 W CB -0.132 29.462 29.460 0.224 0.000 1.140 138 W HN 0.141 nan 8.180 nan 0.000 0.507 139 V N 1.292 121.467 119.914 0.435 0.000 2.287 139 V HA -0.335 3.785 4.120 0.000 0.000 0.248 139 V C 2.598 178.852 176.094 0.266 0.000 1.053 139 V CA 2.360 64.838 62.300 0.297 0.000 1.027 139 V CB -1.530 30.454 31.823 0.268 0.000 0.646 139 V HN 0.234 nan 8.190 nan 0.000 0.447 140 A N -0.872 122.159 122.820 0.353 0.000 1.883 140 A HA -0.300 4.020 4.320 0.000 0.000 0.217 140 A C 2.187 179.996 177.584 0.376 0.000 1.186 140 A CA 2.279 54.545 52.037 0.381 0.000 0.624 140 A CB -0.849 18.503 19.000 0.586 0.000 0.822 140 A HN 0.649 nan 8.150 nan 0.000 0.444 141 Y N 0.838 121.249 120.300 0.186 0.000 2.165 141 Y HA -0.126 4.424 4.550 0.000 0.000 0.286 141 Y C 2.650 178.574 175.900 0.041 0.000 1.155 141 Y CA 1.079 59.227 58.100 0.079 0.000 1.164 141 Y CB -0.895 37.407 38.460 -0.263 0.000 0.978 141 Y HN 0.316 nan 8.280 nan 0.000 0.513 142 A N -0.418 122.318 122.820 -0.139 0.000 1.883 142 A HA -0.190 4.130 4.320 0.000 0.000 0.217 142 A C 2.438 180.162 177.584 0.234 0.000 1.186 142 A CA 2.394 54.414 52.037 -0.029 0.000 0.624 142 A CB -1.397 17.618 19.000 0.025 0.000 0.822 142 A HN 0.336 nan 8.150 nan 0.000 0.444 143 V N -0.435 119.615 119.914 0.227 0.000 2.295 143 V HA -0.234 3.886 4.120 0.000 0.000 0.246 143 V C 2.588 178.926 176.094 0.406 0.000 1.049 143 V CA 1.989 64.470 62.300 0.303 0.000 1.024 143 V CB -0.762 31.231 31.823 0.283 0.000 0.648 143 V HN 0.382 nan 8.190 nan 0.000 0.447 144 V N -0.655 119.466 119.914 0.345 0.000 2.343 144 V HA -0.277 3.843 4.120 0.000 0.000 0.247 144 V C 2.094 178.361 176.094 0.288 0.000 1.051 144 V CA 2.569 65.067 62.300 0.329 0.000 1.036 144 V CB -0.695 31.300 31.823 0.287 0.000 0.654 144 V HN 0.571 nan 8.190 nan 0.000 0.451 145 F N 0.167 120.142 119.950 0.042 0.000 2.053 145 F HA -0.109 4.418 4.527 0.000 0.000 0.292 145 F C 2.095 177.808 175.800 -0.146 0.000 1.125 145 F CA 1.652 59.567 58.000 -0.141 0.000 1.193 145 F CB -0.455 38.245 39.000 -0.500 0.000 0.996 145 F HN 0.098 nan 8.300 nan 0.000 0.470 146 F N 0.811 120.817 119.950 0.092 0.000 2.216 146 F HA -0.054 4.473 4.527 0.000 0.000 0.300 146 F C 2.612 178.321 175.800 -0.152 0.000 1.085 146 F CA 1.360 59.348 58.000 -0.020 0.000 1.326 146 F CB -1.223 37.815 39.000 0.064 0.000 1.027 146 F HN 0.116 nan 8.300 nan 0.000 0.497 147 G N -0.925 107.893 108.800 0.031 0.000 2.418 147 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 147 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 147 G C 1.716 176.448 174.900 -0.279 0.000 1.158 147 G CA 1.443 46.318 45.100 -0.376 0.000 0.771 147 G HN 0.285 nan 8.290 nan 0.000 0.545 148 T N 1.330 115.828 114.554 -0.093 0.000 2.746 148 T HA -0.007 4.343 4.350 0.000 0.000 0.267 148 T C 2.393 176.957 174.700 -0.227 0.000 1.039 148 T CA 0.720 62.744 62.100 -0.125 0.000 1.142 148 T CB -0.188 68.582 68.868 -0.164 0.000 0.866 148 T HN 0.121 nan 8.240 nan 0.000 0.444 149 L N 0.810 121.822 121.223 -0.352 0.000 1.989 149 L HA -0.151 4.189 4.340 0.000 0.000 0.211 149 L C 3.014 179.794 176.870 -0.150 0.000 1.071 149 L CA 1.474 56.149 54.840 -0.275 0.000 0.749 149 L CB -0.700 41.166 42.059 -0.321 0.000 0.890 149 L HN 0.264 nan 8.230 nan 0.000 0.431 150 A N 0.557 123.291 122.820 -0.144 0.000 2.131 150 A HA -0.201 4.119 4.320 0.000 0.000 0.220 150 A C 1.706 179.208 177.584 -0.136 0.000 1.158 150 A CA 1.822 53.783 52.037 -0.127 0.000 0.665 150 A CB -0.440 18.460 19.000 -0.168 0.000 0.795 150 A HN 0.596 nan 8.150 nan 0.000 0.460 151 K N 0.152 120.465 120.400 -0.145 0.000 2.758 151 K HA 0.218 4.538 4.320 0.000 0.000 0.208 151 K C 0.348 176.909 176.600 -0.066 0.000 1.091 151 K CA -0.719 55.510 56.287 -0.097 0.000 1.059 151 K CB 0.188 32.636 32.500 -0.086 0.000 0.801 151 K HN 0.528 nan 8.250 nan 0.000 0.470 152 R N 0.657 121.115 120.500 -0.071 0.000 2.840 152 R HA 0.190 4.530 4.340 0.000 0.000 0.282 152 R C 0.056 176.332 176.300 -0.039 0.000 1.133 152 R CA -0.424 55.644 56.100 -0.054 0.000 1.208 152 R CB 0.384 30.651 30.300 -0.056 0.000 1.160 152 R HN 0.026 nan 8.270 nan 0.000 0.576 153 K N -0.022 120.360 120.400 -0.030 0.000 2.240 153 K HA 0.103 4.423 4.320 0.000 0.000 0.202 153 K C 0.499 177.082 176.600 -0.029 0.000 1.053 153 K CA 0.572 56.841 56.287 -0.029 0.000 0.973 153 K CB 0.280 32.764 32.500 -0.025 0.000 0.924 153 K HN 0.490 nan 8.250 nan 0.000 0.477 154 V N 1.804 121.706 119.914 -0.020 0.000 2.963 154 V HA 0.057 4.177 4.120 0.000 0.000 0.306 154 V C 1.192 177.260 176.094 -0.043 0.000 1.077 154 V CA -0.201 62.089 62.300 -0.017 0.000 1.124 154 V CB 0.886 32.721 31.823 0.019 0.000 0.987 154 V HN 0.166 nan 8.190 nan 0.000 0.487 155 K N 0.008 120.343 120.400 -0.109 0.000 2.057 155 K HA -0.023 4.298 4.320 0.000 0.000 0.206 155 K C 0.703 177.191 176.600 -0.186 0.000 1.050 155 K CA 0.977 57.142 56.287 -0.204 0.000 0.935 155 K CB -0.097 32.189 32.500 -0.356 0.000 0.715 155 K HN 0.762 nan 8.250 nan 0.000 0.439 156 H N -0.047 119.054 119.070 0.052 0.000 2.551 156 H HA 0.204 4.760 4.556 0.000 0.000 0.358 156 H C -0.098 175.293 175.328 0.105 0.000 1.151 156 H CA -0.087 56.018 56.048 0.095 0.000 1.374 156 H CB 0.870 30.683 29.762 0.085 0.000 1.473 156 H HN -0.005 nan 8.280 nan 0.000 0.574 157 I N 2.620 123.373 120.570 0.306 0.000 2.339 157 I HA 0.051 4.221 4.170 0.000 0.000 0.290 157 I C 0.182 176.399 176.117 0.167 0.000 0.994 157 I CA -0.612 60.827 61.300 0.231 0.000 1.191 157 I CB 0.785 38.948 38.000 0.272 0.000 1.343 157 I HN 0.478 nan 8.210 nan 0.000 0.458 158 Y N 6.121 126.363 120.300 -0.096 0.000 2.805 158 Y HA -0.056 4.494 4.550 0.000 0.000 0.337 158 Y C 1.521 176.988 175.900 -0.723 0.000 1.252 158 Y CA 0.031 57.959 58.100 -0.287 0.000 1.515 158 Y CB 1.214 39.580 38.460 -0.156 0.000 1.305 158 Y HN 0.519 nan 8.280 nan 0.000 0.600 159 V N 4.633 123.467 119.914 -1.801 0.000 2.720 159 V HA -0.134 3.986 4.120 0.000 0.000 0.256 159 V C 1.810 177.038 176.094 -1.444 0.000 1.082 159 V CA 2.215 63.045 62.300 -2.450 0.000 1.101 159 V CB -1.239 29.299 31.823 -2.142 0.000 0.693 159 V HN 1.055 nan 8.190 nan 0.000 0.479 160 G N 0.706 108.682 108.800 -1.374 0.000 2.442 160 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 160 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 160 G C 1.303 176.209 174.900 0.009 0.000 1.141 160 G CA 1.048 45.914 45.100 -0.390 0.000 0.763 160 G HN 0.598 nan 8.290 nan 0.000 0.554 161 N N -0.389 118.310 118.700 -0.002 0.000 2.463 161 N HA -0.004 4.736 4.740 0.000 0.000 0.181 161 N C 1.606 177.263 175.510 0.244 0.000 1.078 161 N CA 0.301 53.535 53.050 0.306 0.000 0.902 161 N CB -0.150 38.472 38.487 0.226 0.000 0.970 161 N HN 0.450 nan 8.380 nan 0.000 0.451 162 W N 0.530 121.675 121.300 -0.257 0.000 2.381 162 W HA 0.066 4.726 4.660 -0.000 0.000 0.301 162 W C 1.695 177.984 176.519 -0.384 0.000 1.205 162 W CA 0.178 57.142 57.345 -0.636 0.000 1.285 162 W CB -1.387 27.111 29.460 -1.602 0.000 1.133 162 W HN 0.024 nan 8.180 nan 0.000 0.521 163 F N -0.953 119.018 119.950 0.034 0.000 2.113 163 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 163 F C 2.280 178.143 175.800 0.105 0.000 1.103 163 F CA 1.288 59.373 58.000 0.142 0.000 1.248 163 F CB -1.342 37.643 39.000 -0.025 0.000 0.999 163 F HN -0.301 nan 8.300 nan 0.000 0.475 164 F N 0.564 120.643 119.950 0.215 0.000 2.069 164 F HA -0.133 4.394 4.527 0.000 0.000 0.298 164 F C 2.644 178.366 175.800 -0.130 0.000 1.113 164 F CA 1.446 59.443 58.000 -0.006 0.000 1.214 164 F CB -1.466 37.395 39.000 -0.233 0.000 0.978 164 F HN -0.031 nan 8.300 nan 0.000 0.474 165 G N -0.545 108.301 108.800 0.076 0.000 2.529 165 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 165 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 165 G C 1.895 176.964 174.900 0.281 0.000 1.177 165 G CA 1.382 46.506 45.100 0.040 0.000 0.773 165 G HN 0.531 nan 8.290 nan 0.000 0.573 166 A N 0.855 123.871 122.820 0.326 0.000 1.851 166 A HA 0.011 4.331 4.320 0.000 0.000 0.216 166 A C 2.216 179.989 177.584 0.314 0.000 1.195 166 A CA 1.966 54.204 52.037 0.336 0.000 0.622 166 A CB -0.868 18.377 19.000 0.407 0.000 0.831 166 A HN 0.730 nan 8.150 nan 0.000 0.444 167 F N 0.957 121.073 119.950 0.276 0.000 2.085 167 F HA -0.291 4.236 4.527 -0.000 0.000 0.299 167 F C 1.850 177.787 175.800 0.228 0.000 1.096 167 F CA 2.133 60.288 58.000 0.259 0.000 1.227 167 F CB -0.554 38.537 39.000 0.153 0.000 0.983 167 F HN 0.221 nan 8.300 nan 0.000 0.482 168 I N 0.181 120.497 120.570 -0.424 0.000 2.142 168 I HA -0.331 3.839 4.170 0.000 0.000 0.240 168 I C 2.529 178.697 176.117 0.084 0.000 1.078 168 I CA 1.728 62.786 61.300 -0.403 0.000 1.343 168 I CB -0.675 37.013 38.000 -0.520 0.000 1.046 168 I HN 0.242 nan 8.210 nan 0.000 0.405 169 L N -0.189 121.102 121.223 0.113 0.000 1.994 169 L HA -0.239 4.101 4.340 0.000 0.000 0.208 169 L C 2.761 179.648 176.870 0.029 0.000 1.071 169 L CA 2.092 56.985 54.840 0.088 0.000 0.745 169 L CB -0.856 41.240 42.059 0.062 0.000 0.892 169 L HN 0.340 nan 8.230 nan 0.000 0.431 170 T N -1.391 113.113 114.554 -0.083 0.000 2.904 170 T HA -0.093 4.257 4.350 0.000 0.000 0.267 170 T C 1.832 176.394 174.700 -0.230 0.000 1.059 170 T CA 0.994 62.929 62.100 -0.275 0.000 1.137 170 T CB -0.011 68.383 68.868 -0.789 0.000 0.879 170 T HN 0.063 nan 8.240 nan 0.000 0.467 171 V N 1.655 121.494 119.914 -0.126 0.000 2.358 171 V HA -0.028 4.092 4.120 0.000 0.000 0.246 171 V C 3.064 179.065 176.094 -0.155 0.000 1.047 171 V CA 1.666 63.885 62.300 -0.135 0.000 1.035 171 V CB -1.302 30.431 31.823 -0.149 0.000 0.658 171 V HN 0.646 nan 8.190 nan 0.000 0.452 172 A N 0.245 123.043 122.820 -0.036 0.000 1.873 172 A HA -0.234 4.086 4.320 0.000 0.000 0.218 172 A C 2.141 179.802 177.584 0.128 0.000 1.193 172 A CA 2.297 54.388 52.037 0.091 0.000 0.629 172 A CB -0.607 18.579 19.000 0.310 0.000 0.826 172 A HN 0.506 nan 8.150 nan 0.000 0.447 173 I N -0.949 119.684 120.570 0.105 0.000 2.099 173 I HA -0.271 3.899 4.170 0.000 0.000 0.239 173 I C 2.357 178.601 176.117 0.212 0.000 1.066 173 I CA 1.120 62.513 61.300 0.155 0.000 1.324 173 I CB -0.575 37.517 38.000 0.152 0.000 1.037 173 I HN 0.223 nan 8.210 nan 0.000 0.401 174 L N 0.567 121.833 121.223 0.073 0.000 1.991 174 L HA -0.334 4.006 4.340 0.000 0.000 0.221 174 L C 2.704 179.740 176.870 0.276 0.000 1.079 174 L CA 2.340 57.153 54.840 -0.045 0.000 0.778 174 L CB -1.472 40.412 42.059 -0.292 0.000 0.893 174 L HN 0.370 nan 8.230 nan 0.000 0.437 175 H N -1.376 117.783 119.070 0.149 0.000 2.319 175 H HA -0.118 4.438 4.556 0.000 0.000 0.299 175 H C 2.068 177.448 175.328 0.087 0.000 1.092 175 H CA 2.074 58.208 56.048 0.143 0.000 1.302 175 H CB -0.162 29.591 29.762 -0.015 0.000 1.373 175 H HN 0.098 nan 8.280 nan 0.000 0.497 176 V N -0.427 119.500 119.914 0.022 0.000 2.307 176 V HA -0.218 3.901 4.120 0.000 0.000 0.245 176 V C 2.640 178.745 176.094 0.019 0.000 1.045 176 V CA 1.502 63.788 62.300 -0.024 0.000 1.024 176 V CB -0.618 31.263 31.823 0.096 0.000 0.651 176 V HN 0.331 nan 8.190 nan 0.000 0.449 177 V N 0.636 120.648 119.914 0.163 0.000 2.261 177 V HA -0.284 3.836 4.120 0.000 0.000 0.246 177 V C 2.232 178.479 176.094 0.255 0.000 1.047 177 V CA 2.494 64.939 62.300 0.240 0.000 1.015 177 V CB -0.816 31.224 31.823 0.363 0.000 0.642 177 V HN 0.685 nan 8.190 nan 0.000 0.446 178 N N 0.122 118.945 118.700 0.204 0.000 2.512 178 N HA -0.097 4.643 4.740 0.000 0.000 0.183 178 N C 0.781 176.237 175.510 -0.089 0.000 1.073 178 N CA 0.659 53.744 53.050 0.059 0.000 0.911 178 N CB 0.040 38.390 38.487 -0.228 0.000 0.964 178 N HN 0.452 nan 8.380 nan 0.000 0.447 179 N N 0.431 119.037 118.700 -0.156 0.000 2.214 179 N HA 0.175 4.915 4.740 0.000 0.000 0.214 179 N C -0.606 174.837 175.510 -0.112 0.000 1.132 179 N CA -0.081 52.855 53.050 -0.189 0.000 0.856 179 N CB 0.427 38.706 38.487 -0.348 0.000 1.020 179 N HN 0.180 nan 8.380 nan 0.000 0.509 180 L N 2.271 123.453 121.223 -0.069 0.000 2.562 180 L HA 0.082 4.422 4.340 0.000 0.000 0.271 180 L C 0.394 177.150 176.870 -0.190 0.000 1.167 180 L CA 0.464 55.231 54.840 -0.121 0.000 0.917 180 L CB -0.036 41.950 42.059 -0.122 0.000 1.187 180 L HN 0.244 nan 8.230 nan 0.000 0.482 181 E N 4.137 124.243 120.200 -0.155 0.000 2.354 181 E HA 0.376 4.726 4.350 0.000 0.000 0.283 181 E C -1.080 175.416 176.600 -0.174 0.000 0.938 181 E CA -0.856 55.459 56.400 -0.141 0.000 0.777 181 E CB 1.633 31.288 29.700 -0.076 0.000 1.222 181 E HN 0.356 nan 8.360 nan 0.000 0.423 182 I N 2.969 123.449 120.570 -0.149 0.000 2.517 182 I HA 0.150 4.320 4.170 0.000 0.000 0.285 182 I C -2.093 173.865 176.117 -0.264 0.000 1.106 182 I CA -1.751 59.439 61.300 -0.184 0.000 1.402 182 I CB 0.374 38.321 38.000 -0.089 0.000 1.399 182 I HN 0.265 nan 8.210 nan 0.000 0.535 183 P HA 0.099 nan 4.420 nan 0.000 0.281 183 P C 0.451 177.571 177.300 -0.300 0.000 1.252 183 P CA -0.172 62.532 63.100 -0.660 0.000 0.778 183 P CB 1.299 32.147 31.700 -1.420 0.000 0.895 184 V N 1.633 121.454 119.914 -0.156 0.000 2.521 184 V HA 0.068 4.188 4.120 0.000 0.000 0.239 184 V C 1.229 177.325 176.094 0.002 0.000 1.053 184 V CA 1.891 64.148 62.300 -0.072 0.000 1.073 184 V CB -0.486 31.273 31.823 -0.106 0.000 0.746 184 V HN 0.671 nan 8.190 nan 0.000 0.476 185 T N -3.687 110.919 114.554 0.087 0.000 2.626 185 T HA 0.699 5.049 4.350 0.000 0.000 0.279 185 T C 1.145 176.025 174.700 0.301 0.000 0.983 185 T CA 0.144 62.328 62.100 0.139 0.000 1.059 185 T CB 1.480 70.400 68.868 0.087 0.000 1.396 185 T HN 0.134 nan 8.240 nan 0.000 0.519 186 A N 0.448 123.370 122.820 0.169 0.000 1.884 186 A HA 0.012 4.332 4.320 0.000 0.000 0.219 186 A C 1.745 179.234 177.584 -0.160 0.000 1.197 186 A CA 1.641 53.705 52.037 0.044 0.000 0.637 186 A CB -0.813 18.121 19.000 -0.109 0.000 0.827 186 A HN 0.682 nan 8.150 nan 0.000 0.450 187 M N -0.887 118.622 119.600 -0.151 0.000 2.876 187 M HA 0.334 4.814 4.480 0.000 0.000 0.367 187 M C -0.499 175.827 176.300 0.043 0.000 1.242 187 M CA 0.238 55.382 55.300 -0.260 0.000 0.889 187 M CB 0.412 32.588 32.600 -0.707 0.000 1.353 187 M HN 0.085 nan 8.290 nan 0.000 0.511 188 K N 1.509 122.009 120.400 0.168 0.000 2.581 188 K HA 0.503 4.823 4.320 0.000 0.000 0.249 188 K C -1.065 175.574 176.600 0.065 0.000 0.966 188 K CA 0.153 56.492 56.287 0.087 0.000 0.811 188 K CB 2.318 34.817 32.500 -0.002 0.000 1.223 188 K HN 0.318 nan 8.250 nan 0.000 0.438 189 S N 2.146 117.836 115.700 -0.017 0.000 2.599 189 S HA 0.643 5.113 4.470 0.000 0.000 0.287 189 S C -0.949 173.491 174.600 -0.268 0.000 1.105 189 S CA -0.748 57.377 58.200 -0.125 0.000 0.899 189 S CB 1.268 64.489 63.200 0.035 0.000 1.100 189 S HN 0.418 nan 8.310 nan 0.000 0.482 190 Y N 0.775 121.057 120.300 -0.030 0.000 2.360 190 Y HA 0.564 5.114 4.550 0.000 0.000 0.337 190 Y C 1.074 176.926 175.900 -0.080 0.000 1.039 190 Y CA -0.715 57.361 58.100 -0.040 0.000 1.109 190 Y CB 1.893 40.327 38.460 -0.044 0.000 1.201 190 Y HN 0.845 nan 8.280 nan 0.000 0.458 191 S N 3.073 118.838 115.700 0.108 0.000 2.558 191 S HA -0.026 4.444 4.470 0.000 0.000 0.288 191 S C 1.233 175.747 174.600 -0.144 0.000 1.318 191 S CA -0.397 57.790 58.200 -0.023 0.000 1.056 191 S CB 0.357 63.580 63.200 0.038 0.000 0.853 191 S HN 0.854 nan 8.310 nan 0.000 0.505 192 L N 3.741 124.722 121.223 -0.403 0.000 2.079 192 L HA -0.048 4.292 4.340 0.000 0.000 0.210 192 L C 0.016 176.576 176.870 -0.516 0.000 1.081 192 L CA 1.229 55.719 54.840 -0.584 0.000 0.752 192 L CB -0.150 41.314 42.059 -0.992 0.000 0.896 192 L HN 0.746 nan 8.230 nan 0.000 0.433 193 Y N -1.240 119.053 120.300 -0.012 0.000 2.519 193 Y HA 0.627 5.177 4.550 -0.000 0.000 0.324 193 Y C 0.284 176.181 175.900 -0.005 0.000 1.214 193 Y CA -0.809 57.285 58.100 -0.011 0.000 1.260 193 Y CB 0.826 39.278 38.460 -0.013 0.000 1.311 193 Y HN -0.116 nan 8.280 nan 0.000 0.505 194 A N -0.101 122.817 122.820 0.162 0.000 2.566 194 A HA 0.747 5.067 4.320 0.000 0.000 0.292 194 A C 0.305 177.942 177.584 0.087 0.000 1.112 194 A CA -0.347 51.745 52.037 0.092 0.000 0.707 194 A CB 0.663 19.687 19.000 0.040 0.000 1.302 194 A HN 1.430 nan 8.150 nan 0.000 0.409 195 G N 0.232 109.074 108.800 0.071 0.000 2.627 195 G HA2 0.048 4.008 3.960 0.000 0.000 0.312 195 G HA3 0.048 4.008 3.960 0.000 0.000 0.312 195 G C 1.440 176.385 174.900 0.075 0.000 1.299 195 G CA 2.018 47.159 45.100 0.068 0.000 0.989 195 G HN 2.314 nan 8.290 nan 0.000 0.547 196 A N -1.900 120.957 122.820 0.063 0.000 1.940 196 A HA 0.021 4.341 4.320 0.000 0.000 0.219 196 A C 2.631 180.237 177.584 0.035 0.000 1.176 196 A CA 3.393 55.461 52.037 0.052 0.000 0.631 196 A CB -1.114 17.907 19.000 0.035 0.000 0.814 196 A HN 1.295 nan 8.150 nan 0.000 0.446 197 T N -0.408 114.167 114.554 0.035 0.000 2.737 197 T HA -0.133 4.217 4.350 0.000 0.000 0.265 197 T C 1.709 176.388 174.700 -0.035 0.000 1.038 197 T CA 1.512 63.611 62.100 -0.003 0.000 1.144 197 T CB -0.429 68.459 68.868 0.033 0.000 0.866 197 T HN 0.549 nan 8.240 nan 0.000 0.434 198 D N 1.204 121.640 120.400 0.060 0.000 2.123 198 D HA -0.047 4.593 4.640 0.000 0.000 0.196 198 D C 2.259 178.576 176.300 0.029 0.000 0.992 198 D CA 1.248 55.296 54.000 0.081 0.000 0.833 198 D CB -0.395 40.495 40.800 0.150 0.000 0.954 198 D HN 0.344 nan 8.370 nan 0.000 0.455 199 A N 0.206 123.070 122.820 0.073 0.000 1.883 199 A HA -0.196 4.124 4.320 0.000 0.000 0.217 199 A C 2.285 179.961 177.584 0.153 0.000 1.186 199 A CA 1.559 53.682 52.037 0.144 0.000 0.624 199 A CB -0.532 18.586 19.000 0.197 0.000 0.822 199 A HN 0.240 nan 8.150 nan 0.000 0.444 200 M N -0.508 119.136 119.600 0.073 0.000 2.099 200 M HA -0.108 4.372 4.480 0.000 0.000 0.262 200 M C 2.254 178.589 176.300 0.059 0.000 1.067 200 M CA 1.419 56.757 55.300 0.062 0.000 1.124 200 M CB -0.869 31.709 32.600 -0.037 0.000 1.353 200 M HN 0.279 nan 8.290 nan 0.000 0.410 201 V N 0.615 120.471 119.914 -0.097 0.000 2.324 201 V HA -0.306 3.814 4.120 0.000 0.000 0.250 201 V C 2.394 178.564 176.094 0.127 0.000 1.060 201 V CA 2.176 64.419 62.300 -0.095 0.000 1.042 201 V CB -1.013 30.472 31.823 -0.563 0.000 0.650 201 V HN 0.492 nan 8.190 nan 0.000 0.450 202 Q N -0.478 119.302 119.800 -0.034 0.000 2.050 202 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 202 Q C 1.820 177.631 176.000 -0.316 0.000 0.980 202 Q CA 2.267 57.933 55.803 -0.227 0.000 0.840 202 Q CB -0.472 28.000 28.738 -0.444 0.000 0.898 202 Q HN 0.743 nan 8.270 nan 0.000 0.424 203 W N -1.439 119.949 121.300 0.147 0.000 2.863 203 W HA 0.109 4.769 4.660 -0.000 0.000 0.258 203 W C 1.604 178.197 176.519 0.122 0.000 1.298 203 W CA -0.264 57.098 57.345 0.028 0.000 1.451 203 W CB -0.341 29.078 29.460 -0.067 0.000 1.107 203 W HN 0.328 nan 8.180 nan 0.000 0.641 204 W N 0.216 121.623 121.300 0.178 0.000 2.355 204 W HA -0.302 4.358 4.660 -0.000 0.000 0.309 204 W C 2.408 179.042 176.519 0.192 0.000 1.206 204 W CA 2.125 59.562 57.345 0.152 0.000 1.284 204 W CB -1.200 28.293 29.460 0.055 0.000 1.145 204 W HN 0.085 nan 8.180 nan 0.000 0.502 205 Y N 0.989 121.226 120.300 -0.105 0.000 2.163 205 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 205 Y C 2.462 178.262 175.900 -0.167 0.000 1.136 205 Y CA 2.766 60.657 58.100 -0.350 0.000 1.147 205 Y CB -0.946 37.423 38.460 -0.151 0.000 0.987 205 Y HN -0.024 nan 8.280 nan 0.000 0.509 206 G N -1.154 107.663 108.800 0.029 0.000 2.446 206 G HA2 -0.379 3.581 3.960 0.000 0.000 0.217 206 G HA3 -0.379 3.581 3.960 0.000 0.000 0.217 206 G C 1.421 176.390 174.900 0.115 0.000 1.168 206 G CA 1.348 46.471 45.100 0.039 0.000 0.771 206 G HN 0.611 nan 8.290 nan 0.000 0.551 207 H N 0.923 120.102 119.070 0.182 0.000 2.307 207 H HA 0.048 4.604 4.556 0.000 0.000 0.303 207 H C 2.431 177.827 175.328 0.114 0.000 1.073 207 H CA 1.582 57.807 56.048 0.295 0.000 1.338 207 H CB -0.133 29.889 29.762 0.433 0.000 1.389 207 H HN 0.186 nan 8.280 nan 0.000 0.503 208 N N 0.737 119.482 118.700 0.076 0.000 2.443 208 N HA -0.124 4.616 4.740 0.000 0.000 0.184 208 N C 1.830 177.291 175.510 -0.083 0.000 1.037 208 N CA 0.864 53.933 53.050 0.032 0.000 0.896 208 N CB -0.331 38.147 38.487 -0.015 0.000 0.959 208 N HN 0.540 nan 8.380 nan 0.000 0.442 209 A N 1.007 123.631 122.820 -0.327 0.000 1.851 209 A HA -0.144 4.176 4.320 0.000 0.000 0.216 209 A C 2.430 179.922 177.584 -0.153 0.000 1.195 209 A CA 2.182 54.028 52.037 -0.317 0.000 0.622 209 A CB -1.003 17.671 19.000 -0.544 0.000 0.831 209 A HN 0.216 nan 8.150 nan 0.000 0.444 210 V N -1.424 118.329 119.914 -0.268 0.000 2.809 210 V HA 0.096 4.216 4.120 0.000 0.000 0.256 210 V C 2.135 178.070 176.094 -0.266 0.000 1.080 210 V CA 1.995 64.170 62.300 -0.208 0.000 1.102 210 V CB -1.224 30.476 31.823 -0.205 0.000 0.705 210 V HN 0.452 nan 8.190 nan 0.000 0.475 211 G N -0.403 108.048 108.800 -0.581 0.000 2.418 211 G HA2 -0.129 3.831 3.960 0.000 0.000 0.217 211 G HA3 -0.129 3.831 3.960 0.000 0.000 0.217 211 G C 1.263 175.669 174.900 -0.824 0.000 1.158 211 G CA 1.405 45.750 45.100 -1.259 0.000 0.771 211 G HN 0.591 nan 8.290 nan 0.000 0.545 212 F N -2.164 117.695 119.950 -0.152 0.000 2.557 212 F HA 0.389 4.916 4.527 -0.000 0.000 0.278 212 F C 1.975 177.957 175.800 0.302 0.000 1.051 212 F CA -0.647 57.417 58.000 0.106 0.000 1.357 212 F CB -0.185 38.896 39.000 0.135 0.000 1.104 212 F HN 0.057 nan 8.300 nan 0.000 0.654 213 F N 0.773 120.939 119.950 0.360 0.000 2.084 213 F HA -0.091 4.436 4.527 0.000 0.000 0.296 213 F C 1.777 177.652 175.800 0.126 0.000 1.111 213 F CA 1.783 59.964 58.000 0.303 0.000 1.224 213 F CB -0.095 39.032 39.000 0.211 0.000 0.991 213 F HN -0.206 nan 8.300 nan 0.000 0.471 214 L N -1.621 119.811 121.223 0.348 0.000 2.554 214 L HA 0.058 4.398 4.340 0.000 0.000 0.225 214 L C 1.443 178.516 176.870 0.338 0.000 1.104 214 L CA 0.419 55.412 54.840 0.255 0.000 0.866 214 L CB -0.309 41.764 42.059 0.024 0.000 1.047 214 L HN 0.132 nan 8.230 nan 0.000 0.468 215 T N -0.591 114.126 114.554 0.272 0.000 3.499 215 T HA 0.187 4.537 4.350 0.000 0.000 0.227 215 T C 1.950 176.793 174.700 0.237 0.000 0.946 215 T CA 0.573 62.893 62.100 0.365 0.000 1.368 215 T CB -0.147 68.870 68.868 0.248 0.000 1.227 215 T HN 0.171 nan 8.240 nan 0.000 0.398 216 A N 1.668 124.553 122.820 0.109 0.000 1.869 216 A HA -0.063 4.257 4.320 0.000 0.000 0.218 216 A C 2.507 180.111 177.584 0.033 0.000 1.203 216 A CA 2.542 54.720 52.037 0.235 0.000 0.638 216 A CB -1.661 17.534 19.000 0.325 0.000 0.831 216 A HN 0.556 nan 8.150 nan 0.000 0.450 217 G N -2.003 106.663 108.800 -0.222 0.000 2.469 217 G HA2 -0.203 3.757 3.960 0.000 0.000 0.220 217 G HA3 -0.203 3.757 3.960 0.000 0.000 0.220 217 G C 1.335 175.712 174.900 -0.872 0.000 1.136 217 G CA 1.227 45.769 45.100 -0.929 0.000 0.759 217 G HN 0.463 nan 8.290 nan 0.000 0.562 218 F N 0.061 119.747 119.950 -0.439 0.000 2.569 218 F HA 0.312 4.839 4.527 0.000 0.000 0.295 218 F C 2.461 178.129 175.800 -0.219 0.000 1.115 218 F CA 0.109 57.878 58.000 -0.386 0.000 1.450 218 F CB 0.066 38.766 39.000 -0.500 0.000 1.107 218 F HN 0.006 nan 8.300 nan 0.000 0.563 219 L N -0.644 120.572 121.223 -0.012 0.000 2.141 219 L HA -0.118 4.222 4.340 0.000 0.000 0.209 219 L C 2.740 179.442 176.870 -0.280 0.000 1.094 219 L CA 1.215 55.927 54.840 -0.213 0.000 0.763 219 L CB -1.326 40.372 42.059 -0.601 0.000 0.908 219 L HN 0.245 nan 8.230 nan 0.000 0.437 220 G N 0.851 109.359 108.800 -0.487 0.000 2.476 220 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 220 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 220 G C 1.534 176.243 174.900 -0.319 0.000 1.164 220 G CA 0.975 45.624 45.100 -0.751 0.000 0.768 220 G HN 0.283 nan 8.290 nan 0.000 0.560 221 I N 0.374 120.780 120.570 -0.273 0.000 2.118 221 I HA -0.281 3.889 4.170 0.000 0.000 0.241 221 I C 2.838 179.150 176.117 0.325 0.000 1.070 221 I CA 1.779 63.217 61.300 0.231 0.000 1.327 221 I CB -0.459 37.549 38.000 0.013 0.000 1.034 221 I HN 0.215 nan 8.210 nan 0.000 0.405 222 M N 0.254 119.927 119.600 0.121 0.000 2.106 222 M HA -0.292 4.188 4.480 0.000 0.000 0.259 222 M C 2.398 178.719 176.300 0.035 0.000 1.068 222 M CA 2.209 57.552 55.300 0.072 0.000 1.100 222 M CB -0.439 32.147 32.600 -0.023 0.000 1.351 222 M HN 0.184 nan 8.290 nan 0.000 0.404 223 Y N -1.403 118.927 120.300 0.050 0.000 2.373 223 Y HA -0.262 4.288 4.550 0.000 0.000 0.293 223 Y C 2.186 178.243 175.900 0.262 0.000 1.129 223 Y CA 1.570 59.720 58.100 0.083 0.000 1.226 223 Y CB -0.214 38.196 38.460 -0.084 0.000 1.000 223 Y HN 0.360 nan 8.280 nan 0.000 0.549 224 Y N -1.131 119.335 120.300 0.278 0.000 2.177 224 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 224 Y C 1.706 177.492 175.900 -0.190 0.000 1.117 224 Y CA 1.279 59.392 58.100 0.022 0.000 1.114 224 Y CB -0.756 37.594 38.460 -0.183 0.000 1.017 224 Y HN -0.015 nan 8.280 nan 0.000 0.505 225 F N -0.782 119.173 119.950 0.009 0.000 2.163 225 F HA -0.157 4.370 4.527 0.000 0.000 0.297 225 F C 2.367 178.052 175.800 -0.192 0.000 1.094 225 F CA 1.366 59.254 58.000 -0.187 0.000 1.290 225 F CB -0.954 38.009 39.000 -0.062 0.000 1.017 225 F HN -0.122 nan 8.300 nan 0.000 0.483 226 V N 0.977 120.916 119.914 0.042 0.000 2.233 226 V HA -0.248 3.872 4.120 0.000 0.000 0.247 226 V C -0.336 175.702 176.094 -0.093 0.000 1.050 226 V CA 2.264 64.546 62.300 -0.031 0.000 1.010 226 V CB -1.750 30.038 31.823 -0.059 0.000 0.637 226 V HN 0.185 nan 8.190 nan 0.000 0.444 227 P HA -0.115 nan 4.420 nan 0.000 0.217 227 P C 1.560 178.740 177.300 -0.201 0.000 1.151 227 P CA 1.235 64.258 63.100 -0.129 0.000 0.828 227 P CB 0.016 31.662 31.700 -0.090 0.000 0.788 228 K N -0.139 120.045 120.400 -0.359 0.000 2.097 228 K HA -0.163 4.157 4.320 0.000 0.000 0.205 228 K C 2.297 178.832 176.600 -0.109 0.000 1.050 228 K CA 1.369 57.426 56.287 -0.383 0.000 0.938 228 K CB -0.654 31.312 32.500 -0.890 0.000 0.718 228 K HN -0.118 nan 8.250 nan 0.000 0.442 229 Q N -0.343 119.420 119.800 -0.060 0.000 2.096 229 Q HA 0.128 4.468 4.340 0.000 0.000 0.197 229 Q C 1.752 177.748 176.000 -0.006 0.000 0.964 229 Q CA 1.795 57.647 55.803 0.081 0.000 0.838 229 Q CB -0.337 28.477 28.738 0.127 0.000 0.906 229 Q HN 0.312 nan 8.270 nan 0.000 0.444 230 A N 0.092 122.872 122.820 -0.067 0.000 2.014 230 A HA -0.065 4.255 4.320 0.000 0.000 0.218 230 A C 0.314 177.845 177.584 -0.088 0.000 1.163 230 A CA 0.994 52.966 52.037 -0.109 0.000 0.652 230 A CB -0.315 18.593 19.000 -0.153 0.000 0.808 230 A HN 0.542 nan 8.150 nan 0.000 0.449 231 E N -1.023 119.133 120.200 -0.073 0.000 2.320 231 E HA -0.180 4.170 4.350 0.000 0.000 0.234 231 E C -0.384 176.184 176.600 -0.052 0.000 1.183 231 E CA 0.428 56.794 56.400 -0.058 0.000 0.713 231 E CB -0.778 28.904 29.700 -0.031 0.000 1.226 231 E HN 0.559 nan 8.360 nan 0.000 0.382 232 R N -0.206 120.258 120.500 -0.061 0.000 2.912 232 R HA 0.562 4.902 4.340 0.000 0.000 0.262 232 R C -2.392 173.893 176.300 -0.024 0.000 1.057 232 R CA -1.829 54.248 56.100 -0.038 0.000 0.981 232 R CB 0.725 30.994 30.300 -0.051 0.000 1.201 232 R HN -0.053 nan 8.270 nan 0.000 0.484 233 P HA 0.211 nan 4.420 nan 0.000 0.279 233 P C -0.346 177.000 177.300 0.076 0.000 1.252 233 P CA -0.563 62.554 63.100 0.029 0.000 0.811 233 P CB 0.702 32.422 31.700 0.033 0.000 1.035 234 V N 3.058 123.042 119.914 0.116 0.000 2.403 234 V HA -0.064 4.056 4.120 0.000 0.000 0.265 234 V C 0.611 176.826 176.094 0.203 0.000 1.034 234 V CA -0.284 62.128 62.300 0.187 0.000 1.036 234 V CB -1.595 30.400 31.823 0.287 0.000 1.032 234 V HN 0.463 nan 8.190 nan 0.000 0.478 235 Y N 5.375 125.728 120.300 0.088 0.000 2.852 235 Y HA 0.074 4.624 4.550 0.000 0.000 0.343 235 Y C 1.014 176.993 175.900 0.131 0.000 1.280 235 Y CA 1.592 59.747 58.100 0.090 0.000 1.604 235 Y CB -0.062 38.436 38.460 0.063 0.000 1.216 235 Y HN 0.926 nan 8.280 nan 0.000 0.541 236 S N 4.926 120.410 115.700 -0.360 0.000 3.471 236 S HA -0.273 4.197 4.470 0.000 0.000 0.577 236 S C 0.210 174.855 174.600 0.075 0.000 0.626 236 S CA 0.533 58.594 58.200 -0.231 0.000 1.399 236 S CB -1.301 61.671 63.200 -0.381 0.000 0.984 236 S HN 0.952 nan 8.310 nan 0.000 0.905 237 Y N 6.181 126.482 120.300 0.001 0.000 2.114 237 Y HA -0.074 4.476 4.550 0.000 0.000 0.284 237 Y C 2.032 178.003 175.900 0.118 0.000 1.143 237 Y CA 2.230 60.364 58.100 0.057 0.000 1.135 237 Y CB -0.341 38.141 38.460 0.037 0.000 0.980 237 Y HN 0.770 nan 8.280 nan 0.000 0.499 238 R N -0.288 120.211 120.500 -0.002 0.000 2.113 238 R HA -0.237 4.103 4.340 0.000 0.000 0.244 238 R C 2.155 178.467 176.300 0.021 0.000 1.142 238 R CA 1.801 57.866 56.100 -0.059 0.000 0.953 238 R CB -1.144 29.180 30.300 0.040 0.000 0.860 238 R HN 0.379 nan 8.270 nan 0.000 0.438 239 L N 1.338 122.614 121.223 0.087 0.000 2.043 239 L HA -0.194 4.146 4.340 0.000 0.000 0.212 239 L C 2.057 179.125 176.870 0.329 0.000 1.075 239 L CA 1.830 56.787 54.840 0.195 0.000 0.752 239 L CB -0.649 41.525 42.059 0.193 0.000 0.891 239 L HN 0.053 nan 8.230 nan 0.000 0.432 240 S N -0.230 115.649 115.700 0.298 0.000 2.365 240 S HA -0.227 4.243 4.470 0.000 0.000 0.225 240 S C 1.879 176.701 174.600 0.369 0.000 1.039 240 S CA 1.920 60.351 58.200 0.384 0.000 1.033 240 S CB -0.572 62.661 63.200 0.055 0.000 0.887 240 S HN 0.453 nan 8.310 nan 0.000 0.447 241 I N 1.400 122.104 120.570 0.224 0.000 2.076 241 I HA -0.182 3.988 4.170 0.000 0.000 0.237 241 I C 2.327 178.676 176.117 0.387 0.000 1.059 241 I CA 1.040 62.526 61.300 0.309 0.000 1.317 241 I CB -0.916 37.161 38.000 0.128 0.000 1.037 241 I HN 0.104 nan 8.210 nan 0.000 0.398 242 V N 1.113 121.201 119.914 0.289 0.000 2.231 242 V HA -0.405 3.715 4.120 0.000 0.000 0.248 242 V C 2.567 178.852 176.094 0.318 0.000 1.054 242 V CA 2.610 65.076 62.300 0.277 0.000 1.015 242 V CB -1.414 30.537 31.823 0.214 0.000 0.638 242 V HN 0.624 nan 8.190 nan 0.000 0.444 243 H N -0.542 118.704 119.070 0.292 0.000 2.390 243 H HA -0.265 4.291 4.556 0.000 0.000 0.298 243 H C 2.253 177.820 175.328 0.399 0.000 1.106 243 H CA 2.393 58.641 56.048 0.333 0.000 1.297 243 H CB -0.230 29.749 29.762 0.362 0.000 1.375 243 H HN 0.459 nan 8.280 nan 0.000 0.509 244 F N 0.528 120.366 119.950 -0.187 0.000 2.074 244 F HA -0.081 4.446 4.527 0.000 0.000 0.293 244 F C 2.016 177.613 175.800 -0.338 0.000 1.116 244 F CA 1.548 59.275 58.000 -0.455 0.000 1.212 244 F CB -0.841 37.743 39.000 -0.693 0.000 0.998 244 F HN 0.090 nan 8.300 nan 0.000 0.471 245 W N 0.619 121.796 121.300 -0.205 0.000 2.355 245 W HA -0.081 4.579 4.660 -0.000 0.000 0.309 245 W C 2.696 179.114 176.519 -0.169 0.000 1.206 245 W CA 1.773 58.950 57.345 -0.280 0.000 1.284 245 W CB -1.120 28.304 29.460 -0.059 0.000 1.145 245 W HN 0.139 nan 8.180 nan 0.000 0.502 246 A N 0.121 123.043 122.820 0.170 0.000 1.908 246 A HA -0.231 4.089 4.320 0.000 0.000 0.218 246 A C 1.939 179.583 177.584 0.100 0.000 1.181 246 A CA 1.891 54.006 52.037 0.130 0.000 0.627 246 A CB -1.097 17.988 19.000 0.142 0.000 0.818 246 A HN 0.315 nan 8.150 nan 0.000 0.445 247 L N -0.943 120.326 121.223 0.078 0.000 1.994 247 L HA -0.106 4.234 4.340 0.000 0.000 0.208 247 L C 2.214 179.147 176.870 0.106 0.000 1.071 247 L CA 1.816 56.737 54.840 0.134 0.000 0.745 247 L CB -0.384 41.798 42.059 0.205 0.000 0.892 247 L HN 0.306 nan 8.230 nan 0.000 0.431 248 I N -0.763 119.742 120.570 -0.109 0.000 2.423 248 I HA -0.279 3.891 4.170 0.000 0.000 0.254 248 I C 2.077 178.352 176.117 0.264 0.000 1.151 248 I CA 1.829 63.118 61.300 -0.017 0.000 1.421 248 I CB -0.487 37.189 38.000 -0.539 0.000 1.079 248 I HN 0.354 nan 8.210 nan 0.000 0.431 249 T N -1.666 113.024 114.554 0.226 0.000 3.021 249 T HA 0.061 4.411 4.350 0.000 0.000 0.245 249 T C 1.907 176.839 174.700 0.387 0.000 1.028 249 T CA 0.784 63.075 62.100 0.317 0.000 1.139 249 T CB -0.026 68.990 68.868 0.247 0.000 0.884 249 T HN 0.040 nan 8.240 nan 0.000 0.457 250 V N 0.717 120.780 119.914 0.249 0.000 2.453 250 V HA -0.097 4.023 4.120 0.000 0.000 0.247 250 V C 2.073 178.368 176.094 0.335 0.000 1.048 250 V CA 1.300 63.702 62.300 0.169 0.000 1.049 250 V CB -0.673 31.169 31.823 0.031 0.000 0.672 250 V HN 0.424 nan 8.190 nan 0.000 0.457 251 Y N 0.261 120.723 120.300 0.269 0.000 2.207 251 Y HA -0.199 4.351 4.550 0.000 0.000 0.287 251 Y C 2.381 178.524 175.900 0.404 0.000 1.156 251 Y CA 1.066 59.339 58.100 0.287 0.000 1.182 251 Y CB -0.135 38.415 38.460 0.151 0.000 0.979 251 Y HN 0.121 nan 8.280 nan 0.000 0.521 252 I N -1.698 119.303 120.570 0.719 0.000 2.264 252 I HA -0.347 3.823 4.170 0.000 0.000 0.248 252 I C 1.820 178.232 176.117 0.493 0.000 1.111 252 I CA 1.365 63.031 61.300 0.610 0.000 1.382 252 I CB -1.493 36.825 38.000 0.531 0.000 1.060 252 I HN 0.351 nan 8.210 nan 0.000 0.418 253 W N 1.034 122.494 121.300 0.267 0.000 2.525 253 W HA -0.005 4.655 4.660 -0.000 0.000 0.259 253 W C 2.492 179.048 176.519 0.060 0.000 1.253 253 W CA 0.967 58.411 57.345 0.164 0.000 1.262 253 W CB -0.675 28.855 29.460 0.118 0.000 1.122 253 W HN 0.083 nan 8.180 nan 0.000 0.607 254 A N 0.450 123.386 122.820 0.193 0.000 2.239 254 A HA 0.153 4.473 4.320 0.000 0.000 0.209 254 A C 2.240 179.578 177.584 -0.409 0.000 1.171 254 A CA 1.216 53.158 52.037 -0.158 0.000 0.768 254 A CB -1.207 17.523 19.000 -0.450 0.000 0.790 254 A HN 0.281 nan 8.150 nan 0.000 0.478 255 G N 1.392 110.163 108.800 -0.050 0.000 2.631 255 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 255 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 255 G C -0.337 174.528 174.900 -0.059 0.000 1.214 255 G CA 1.425 46.564 45.100 0.065 0.000 0.785 255 G HN 0.508 nan 8.290 nan 0.000 0.596 256 P HA -0.075 nan 4.420 nan 0.000 0.226 256 P C 1.345 178.399 177.300 -0.410 0.000 1.146 256 P CA 1.309 64.306 63.100 -0.171 0.000 0.773 256 P CB -0.417 31.200 31.700 -0.138 0.000 0.772 257 H N -2.900 115.920 119.070 -0.417 0.000 2.521 257 H HA -0.053 4.503 4.556 -0.000 0.000 0.286 257 H C 1.365 176.191 175.328 -0.837 0.000 1.034 257 H CA 0.538 56.075 56.048 -0.851 0.000 1.278 257 H CB -0.752 28.701 29.762 -0.516 0.000 1.386 257 H HN 0.323 nan 8.280 nan 0.000 0.567 258 H N 1.239 120.066 119.070 -0.405 0.000 2.395 258 H HA 0.054 4.610 4.556 -0.000 0.000 0.299 258 H C 1.214 176.226 175.328 -0.526 0.000 1.070 258 H CA 0.859 56.599 56.048 -0.514 0.000 1.356 258 H CB 0.436 29.591 29.762 -1.011 0.000 1.401 258 H HN 0.354 nan 8.280 nan 0.000 0.524 259 L N 2.129 123.156 121.223 -0.327 0.000 3.036 259 L HA 0.122 4.462 4.340 0.000 0.000 0.237 259 L C -0.153 176.577 176.870 -0.233 0.000 1.319 259 L CA -0.323 54.381 54.840 -0.227 0.000 1.112 259 L CB -0.148 41.882 42.059 -0.049 0.000 1.480 259 L HN 0.084 nan 8.230 nan 0.000 0.506 260 H N -0.066 118.788 119.070 -0.361 0.000 2.764 260 H HA 0.094 4.650 4.556 0.000 0.000 0.341 260 H C 0.082 175.281 175.328 -0.214 0.000 1.072 260 H CA -0.176 55.671 56.048 -0.334 0.000 1.444 260 H CB 0.271 29.839 29.762 -0.323 0.000 1.458 260 H HN 0.181 nan 8.280 nan 0.000 0.572 261 Y N -0.935 119.362 120.300 -0.006 0.000 3.721 261 Y HA -0.347 4.203 4.550 0.000 0.000 0.218 261 Y C 1.155 177.059 175.900 0.007 0.000 1.188 261 Y CA 0.842 58.933 58.100 -0.015 0.000 1.607 261 Y CB -1.703 36.749 38.460 -0.013 0.000 1.496 261 Y HN 0.667 nan 8.280 nan 0.000 0.626 262 T N -4.541 110.069 114.554 0.095 0.000 2.876 262 T HA 0.789 5.139 4.350 0.000 0.000 0.277 262 T C 1.279 176.025 174.700 0.077 0.000 0.997 262 T CA -0.403 61.759 62.100 0.104 0.000 0.966 262 T CB 1.606 70.524 68.868 0.085 0.000 1.312 262 T HN 0.228 nan 8.240 nan 0.000 0.598 263 A N -0.460 122.408 122.820 0.080 0.000 2.168 263 A HA 0.283 4.603 4.320 0.000 0.000 0.215 263 A C 1.075 178.674 177.584 0.025 0.000 1.152 263 A CA 0.059 52.131 52.037 0.059 0.000 0.716 263 A CB -1.040 18.000 19.000 0.068 0.000 0.794 263 A HN 0.734 nan 8.150 nan 0.000 0.465 264 L N 1.182 122.407 121.223 0.003 0.000 2.578 264 L HA 0.175 4.515 4.340 0.000 0.000 0.279 264 L C -2.304 174.498 176.870 -0.114 0.000 1.227 264 L CA -1.277 53.523 54.840 -0.068 0.000 0.900 264 L CB 0.014 42.015 42.059 -0.096 0.000 1.144 264 L HN 0.015 nan 8.230 nan 0.000 0.496 265 P HA 0.008 nan 4.420 nan 0.000 0.268 265 P C 0.029 177.172 177.300 -0.261 0.000 1.208 265 P CA -0.081 62.922 63.100 -0.161 0.000 0.777 265 P CB 0.484 32.087 31.700 -0.162 0.000 0.875 266 D N 1.392 121.739 120.400 -0.088 0.000 2.133 266 D HA -0.163 4.477 4.640 0.000 0.000 0.195 266 D C 1.894 178.159 176.300 -0.059 0.000 0.997 266 D CA 1.353 55.316 54.000 -0.062 0.000 0.840 266 D CB -0.335 40.480 40.800 0.026 0.000 0.947 266 D HN 0.605 nan 8.370 nan 0.000 0.452 267 W N 1.572 122.879 121.300 0.012 0.000 2.338 267 W HA -0.091 4.569 4.660 -0.000 0.000 0.304 267 W C 1.935 178.479 176.519 0.040 0.000 1.212 267 W CA 1.114 58.473 57.345 0.024 0.000 1.264 267 W CB -1.060 28.415 29.460 0.026 0.000 1.142 267 W HN -0.085 nan 8.180 nan 0.000 0.512 268 A N 1.550 123.748 122.820 -1.038 0.000 1.873 268 A HA -0.235 4.085 4.320 0.000 0.000 0.215 268 A C 2.170 179.570 177.584 -0.306 0.000 1.186 268 A CA 2.052 53.532 52.037 -0.928 0.000 0.616 268 A CB -1.167 17.075 19.000 -1.263 0.000 0.823 268 A HN 0.461 nan 8.150 nan 0.000 0.442 269 Q N -0.143 119.504 119.800 -0.256 0.000 2.062 269 Q HA -0.207 4.133 4.340 0.000 0.000 0.209 269 Q C 2.529 178.564 176.000 0.059 0.000 0.996 269 Q CA 2.162 57.931 55.803 -0.057 0.000 0.859 269 Q CB -0.305 28.398 28.738 -0.059 0.000 0.920 269 Q HN 0.671 nan 8.270 nan 0.000 0.415 270 S N 0.654 116.359 115.700 0.008 0.000 2.348 270 S HA -0.147 4.323 4.470 0.000 0.000 0.221 270 S C 1.860 176.520 174.600 0.100 0.000 1.033 270 S CA 0.914 59.137 58.200 0.039 0.000 1.010 270 S CB -0.331 62.894 63.200 0.041 0.000 0.891 270 S HN 0.171 nan 8.310 nan 0.000 0.442 271 L N 1.669 122.989 121.223 0.160 0.000 2.103 271 L HA -0.163 4.177 4.340 0.000 0.000 0.215 271 L C 2.400 179.409 176.870 0.232 0.000 1.080 271 L CA 1.891 56.886 54.840 0.259 0.000 0.764 271 L CB -1.443 40.859 42.059 0.405 0.000 0.890 271 L HN 0.422 nan 8.230 nan 0.000 0.435 272 G N -1.871 107.015 108.800 0.143 0.000 2.394 272 G HA2 -0.266 3.694 3.960 0.000 0.000 0.214 272 G HA3 -0.266 3.694 3.960 0.000 0.000 0.214 272 G C 1.638 176.602 174.900 0.105 0.000 1.176 272 G CA 0.737 45.894 45.100 0.094 0.000 0.786 272 G HN 0.382 nan 8.290 nan 0.000 0.533 273 M N 0.427 120.117 119.600 0.150 0.000 2.067 273 M HA -0.060 4.420 4.480 0.000 0.000 0.260 273 M C 2.537 178.856 176.300 0.032 0.000 1.069 273 M CA 1.464 56.836 55.300 0.120 0.000 1.117 273 M CB -0.283 32.359 32.600 0.070 0.000 1.334 273 M HN 0.067 nan 8.290 nan 0.000 0.407 274 V N 1.347 121.275 119.914 0.025 0.000 2.282 274 V HA -0.349 3.771 4.120 0.000 0.000 0.249 274 V C 2.612 178.680 176.094 -0.043 0.000 1.057 274 V CA 2.053 64.344 62.300 -0.016 0.000 1.032 274 V CB -0.640 31.176 31.823 -0.011 0.000 0.645 274 V HN 0.583 nan 8.190 nan 0.000 0.447 275 M N -1.000 118.589 119.600 -0.018 0.000 2.254 275 M HA -0.076 4.404 4.480 0.000 0.000 0.265 275 M C 2.404 178.670 176.300 -0.056 0.000 1.066 275 M CA 1.292 56.559 55.300 -0.055 0.000 1.123 275 M CB -0.930 31.675 32.600 0.008 0.000 1.388 275 M HN 0.356 nan 8.290 nan 0.000 0.425 276 S N 1.321 117.005 115.700 -0.026 0.000 2.370 276 S HA -0.070 4.400 4.470 0.000 0.000 0.226 276 S C 2.021 176.545 174.600 -0.128 0.000 1.033 276 S CA 1.080 59.234 58.200 -0.076 0.000 1.011 276 S CB -0.319 62.873 63.200 -0.013 0.000 0.852 276 S HN 0.409 nan 8.310 nan 0.000 0.457 277 L N 0.344 121.506 121.223 -0.102 0.000 2.027 277 L HA -0.075 4.265 4.340 0.000 0.000 0.206 277 L C 2.212 179.005 176.870 -0.128 0.000 1.074 277 L CA 0.949 55.720 54.840 -0.116 0.000 0.745 277 L CB -0.547 41.457 42.059 -0.091 0.000 0.898 277 L HN 0.259 nan 8.230 nan 0.000 0.433 278 I N -0.269 120.234 120.570 -0.112 0.000 2.194 278 I HA -0.336 3.834 4.170 0.000 0.000 0.246 278 I C 2.326 178.376 176.117 -0.111 0.000 1.093 278 I CA 1.187 62.421 61.300 -0.109 0.000 1.355 278 I CB -0.382 37.549 38.000 -0.114 0.000 1.046 278 I HN 0.166 nan 8.210 nan 0.000 0.413 279 L N -0.078 121.068 121.223 -0.128 0.000 2.261 279 L HA -0.209 4.131 4.340 0.000 0.000 0.216 279 L C 2.187 178.968 176.870 -0.148 0.000 1.114 279 L CA 1.522 56.278 54.840 -0.140 0.000 0.777 279 L CB -0.712 41.198 42.059 -0.248 0.000 0.910 279 L HN 0.261 nan 8.230 nan 0.000 0.440 280 L N -1.173 119.923 121.223 -0.211 0.000 1.990 280 L HA -0.284 4.056 4.340 0.000 0.000 0.213 280 L C 2.512 179.177 176.870 -0.342 0.000 1.072 280 L CA 1.648 56.276 54.840 -0.354 0.000 0.755 280 L CB -0.525 41.278 42.059 -0.426 0.000 0.889 280 L HN 0.386 nan 8.230 nan 0.000 0.432 281 A N 0.544 123.240 122.820 -0.207 0.000 1.848 281 A HA -0.236 4.084 4.320 0.000 0.000 0.217 281 A C -0.043 177.594 177.584 0.088 0.000 1.220 281 A CA 2.484 54.486 52.037 -0.059 0.000 0.645 281 A CB -2.237 16.749 19.000 -0.024 0.000 0.842 281 A HN 0.388 nan 8.150 nan 0.000 0.451 282 P HA -0.101 nan 4.420 nan 0.000 0.216 282 P C 1.748 179.277 177.300 0.382 0.000 1.150 282 P CA 1.828 65.093 63.100 0.274 0.000 0.843 282 P CB -0.173 31.661 31.700 0.223 0.000 0.787 283 S N -1.756 114.102 115.700 0.262 0.000 2.353 283 S HA -0.181 4.289 4.470 0.000 0.000 0.222 283 S C 1.581 176.429 174.600 0.413 0.000 1.035 283 S CA 1.187 59.582 58.200 0.325 0.000 1.025 283 S CB -1.109 62.157 63.200 0.110 0.000 0.902 283 S HN 0.217 nan 8.310 nan 0.000 0.440 284 W N 1.798 123.118 121.300 0.033 0.000 2.425 284 W HA 0.166 4.826 4.660 0.000 0.000 0.277 284 W C 2.512 179.009 176.519 -0.038 0.000 1.231 284 W CA 0.138 57.475 57.345 -0.014 0.000 1.248 284 W CB -1.424 28.000 29.460 -0.060 0.000 1.117 284 W HN 0.403 nan 8.180 nan 0.000 0.568 285 G N 0.117 109.032 108.800 0.191 0.000 2.485 285 G HA2 -0.218 3.742 3.960 0.000 0.000 0.221 285 G HA3 -0.218 3.742 3.960 0.000 0.000 0.221 285 G C 1.826 176.445 174.900 -0.468 0.000 1.115 285 G CA 1.288 46.386 45.100 -0.002 0.000 0.751 285 G HN 0.391 nan 8.290 nan 0.000 0.567 286 G N 1.377 109.825 108.800 -0.586 0.000 2.414 286 G HA2 -0.157 3.803 3.960 0.000 0.000 0.215 286 G HA3 -0.157 3.803 3.960 0.000 0.000 0.215 286 G C 1.868 176.552 174.900 -0.360 0.000 1.188 286 G CA 1.396 46.104 45.100 -0.654 0.000 0.783 286 G HN 0.612 nan 8.290 nan 0.000 0.537 287 M N -0.534 118.984 119.600 -0.136 0.000 2.254 287 M HA 0.294 4.774 4.480 0.000 0.000 0.265 287 M C 2.332 178.545 176.300 -0.146 0.000 1.066 287 M CA 1.186 56.402 55.300 -0.141 0.000 1.123 287 M CB -0.383 32.166 32.600 -0.086 0.000 1.388 287 M HN 0.128 nan 8.290 nan 0.000 0.425 288 I N 1.524 122.027 120.570 -0.112 0.000 2.099 288 I HA -0.300 3.870 4.170 0.000 0.000 0.239 288 I C 2.538 178.648 176.117 -0.012 0.000 1.066 288 I CA 1.744 63.010 61.300 -0.057 0.000 1.324 288 I CB -0.875 37.143 38.000 0.030 0.000 1.037 288 I HN 0.539 nan 8.210 nan 0.000 0.401 289 N N 0.584 119.292 118.700 0.013 0.000 2.192 289 N HA -0.174 4.566 4.740 0.000 0.000 0.188 289 N C 1.832 177.322 175.510 -0.034 0.000 1.013 289 N CA 1.489 54.589 53.050 0.084 0.000 0.863 289 N CB -0.104 38.429 38.487 0.076 0.000 0.990 289 N HN 0.455 nan 8.380 nan 0.000 0.430 290 G N 0.486 109.186 108.800 -0.166 0.000 2.396 290 G HA2 -0.118 3.842 3.960 0.000 0.000 0.214 290 G HA3 -0.118 3.842 3.960 0.000 0.000 0.214 290 G C 1.539 176.363 174.900 -0.127 0.000 1.166 290 G CA 0.171 45.160 45.100 -0.186 0.000 0.793 290 G HN 0.179 nan 8.290 nan 0.000 0.533 291 M N 0.108 119.650 119.600 -0.096 0.000 2.193 291 M HA 0.133 4.613 4.480 0.000 0.000 0.265 291 M C 2.597 178.865 176.300 -0.054 0.000 1.071 291 M CA 0.879 56.148 55.300 -0.052 0.000 1.140 291 M CB -0.193 32.439 32.600 0.053 0.000 1.369 291 M HN 0.097 nan 8.290 nan 0.000 0.423 292 M N -0.552 118.987 119.600 -0.101 0.000 2.358 292 M HA -0.112 4.368 4.480 0.000 0.000 0.264 292 M C 1.876 178.096 176.300 -0.134 0.000 1.064 292 M CA 1.338 56.496 55.300 -0.235 0.000 1.093 292 M CB -1.389 30.732 32.600 -0.800 0.000 1.401 292 M HN 0.269 nan 8.290 nan 0.000 0.440 293 T N 1.351 115.875 114.554 -0.050 0.000 2.759 293 T HA -0.130 4.220 4.350 0.000 0.000 0.269 293 T C 1.771 176.383 174.700 -0.147 0.000 1.042 293 T CA 1.070 63.155 62.100 -0.025 0.000 1.140 293 T CB -0.182 68.671 68.868 -0.024 0.000 0.864 293 T HN 0.230 nan 8.240 nan 0.000 0.455 294 L N 1.797 122.830 121.223 -0.316 0.000 2.552 294 L HA 0.164 4.504 4.340 0.000 0.000 0.227 294 L C 1.234 177.710 176.870 -0.656 0.000 1.146 294 L CA 0.127 54.599 54.840 -0.613 0.000 0.858 294 L CB -0.407 40.992 42.059 -1.101 0.000 0.969 294 L HN 0.185 nan 8.230 nan 0.000 0.451 295 S N -0.818 114.758 115.700 -0.207 0.000 2.546 295 S HA 0.345 4.815 4.470 0.000 0.000 0.290 295 S C 1.368 176.026 174.600 0.096 0.000 1.290 295 S CA 0.067 58.364 58.200 0.162 0.000 1.069 295 S CB 0.630 63.941 63.200 0.185 0.000 0.846 295 S HN 0.632 nan 8.310 nan 0.000 0.495 296 G N 3.070 112.023 108.800 0.255 0.000 2.454 296 G HA2 -0.225 3.735 3.960 0.000 0.000 0.225 296 G HA3 -0.225 3.735 3.960 0.000 0.000 0.225 296 G C 0.768 175.795 174.900 0.210 0.000 1.138 296 G CA 0.146 45.362 45.100 0.193 0.000 0.667 296 G HN 1.947 nan 8.290 nan 0.000 0.512 297 A N -0.278 122.553 122.820 0.020 0.000 2.370 297 A HA 0.515 4.835 4.320 0.000 0.000 0.238 297 A C 1.400 178.855 177.584 -0.216 0.000 1.289 297 A CA 0.790 52.777 52.037 -0.085 0.000 0.885 297 A CB -0.721 18.157 19.000 -0.203 0.000 0.961 297 A HN 0.627 nan 8.150 nan 0.000 0.499 298 W N 0.155 121.461 121.300 0.010 0.000 2.421 298 W HA -0.196 4.464 4.660 0.000 0.000 0.270 298 W C 2.376 178.882 176.519 -0.022 0.000 1.233 298 W CA 1.357 58.690 57.345 -0.020 0.000 1.226 298 W CB -0.215 29.248 29.460 0.004 0.000 1.121 298 W HN 0.778 nan 8.180 nan 0.000 0.579 299 H N -0.001 119.168 119.070 0.165 0.000 2.518 299 H HA 0.007 4.563 4.556 0.000 0.000 0.289 299 H C 1.281 176.633 175.328 0.041 0.000 1.051 299 H CA 1.198 57.300 56.048 0.091 0.000 1.280 299 H CB -0.510 29.290 29.762 0.064 0.000 1.380 299 H HN 0.210 nan 8.280 nan 0.000 0.566 300 K N 0.616 120.726 120.400 -0.482 0.000 2.365 300 K HA 0.076 4.396 4.320 0.000 0.000 0.199 300 K C 2.346 178.842 176.600 -0.174 0.000 1.045 300 K CA 0.256 56.325 56.287 -0.363 0.000 0.962 300 K CB 0.276 32.543 32.500 -0.390 0.000 0.759 300 K HN 0.269 nan 8.250 nan 0.000 0.469 301 L N 0.906 122.067 121.223 -0.104 0.000 2.093 301 L HA -0.176 4.164 4.340 0.000 0.000 0.208 301 L C 2.330 179.150 176.870 -0.082 0.000 1.085 301 L CA 1.420 56.212 54.840 -0.080 0.000 0.755 301 L CB -0.378 41.697 42.059 0.027 0.000 0.904 301 L HN 0.253 nan 8.230 nan 0.000 0.435 302 R N -1.123 119.367 120.500 -0.017 0.000 2.148 302 R HA -0.062 4.278 4.340 0.000 0.000 0.223 302 R C 2.354 178.642 176.300 -0.020 0.000 1.088 302 R CA 1.202 57.302 56.100 -0.001 0.000 0.985 302 R CB -0.518 29.809 30.300 0.046 0.000 0.880 302 R HN 0.095 nan 8.270 nan 0.000 0.451 303 S N 0.720 116.400 115.700 -0.033 0.000 2.348 303 S HA -0.115 4.355 4.470 0.000 0.000 0.219 303 S C 0.322 174.885 174.600 -0.061 0.000 1.033 303 S CA 0.862 59.042 58.200 -0.033 0.000 0.974 303 S CB -0.126 63.056 63.200 -0.030 0.000 0.868 303 S HN 0.367 nan 8.310 nan 0.000 0.459 304 D N 0.943 121.287 120.400 -0.092 0.000 2.441 304 D HA 0.392 5.032 4.640 0.000 0.000 0.231 304 D C -1.783 174.437 176.300 -0.132 0.000 1.073 304 D CA -2.459 51.485 54.000 -0.093 0.000 0.850 304 D CB 1.897 42.650 40.800 -0.079 0.000 1.062 304 D HN 0.084 nan 8.370 nan 0.000 0.524 305 P HA -0.040 nan 4.420 nan 0.000 0.222 305 P C 1.735 179.017 177.300 -0.030 0.000 1.153 305 P CA 0.484 63.460 63.100 -0.207 0.000 0.798 305 P CB 0.590 32.196 31.700 -0.157 0.000 0.796 306 I N -0.756 119.825 120.570 0.019 0.000 2.208 306 I HA -0.240 3.930 4.170 0.000 0.000 0.245 306 I C 2.429 178.629 176.117 0.139 0.000 1.097 306 I CA 1.059 62.435 61.300 0.127 0.000 1.363 306 I CB -0.693 37.358 38.000 0.084 0.000 1.051 306 I HN -0.083 nan 8.210 nan 0.000 0.413 307 L N 0.871 122.111 121.223 0.029 0.000 2.046 307 L HA -0.200 4.140 4.340 0.000 0.000 0.208 307 L C 2.626 179.474 176.870 -0.036 0.000 1.077 307 L CA 1.746 56.577 54.840 -0.015 0.000 0.747 307 L CB -0.629 41.376 42.059 -0.090 0.000 0.896 307 L HN 0.074 nan 8.230 nan 0.000 0.432 308 R N -1.536 118.873 120.500 -0.152 0.000 2.115 308 R HA -0.258 4.082 4.340 0.000 0.000 0.239 308 R C 2.269 178.543 176.300 -0.044 0.000 1.133 308 R CA 2.285 58.195 56.100 -0.317 0.000 0.935 308 R CB -0.815 28.891 30.300 -0.990 0.000 0.853 308 R HN 0.274 nan 8.270 nan 0.000 0.433 309 F N 0.948 120.932 119.950 0.057 0.000 2.045 309 F HA -0.317 4.210 4.527 -0.000 0.000 0.297 309 F C 2.434 178.326 175.800 0.153 0.000 1.114 309 F CA 1.650 59.773 58.000 0.205 0.000 1.207 309 F CB -0.488 38.591 39.000 0.133 0.000 0.964 309 F HN 0.012 nan 8.300 nan 0.000 0.486 310 L N -0.823 120.577 121.223 0.295 0.000 2.012 310 L HA -0.256 4.084 4.340 0.000 0.000 0.210 310 L C 2.277 179.245 176.870 0.163 0.000 1.073 310 L CA 1.072 56.027 54.840 0.191 0.000 0.748 310 L CB -0.941 41.188 42.059 0.116 0.000 0.891 310 L HN 0.037 nan 8.230 nan 0.000 0.431 311 V N -0.804 119.173 119.914 0.105 0.000 2.229 311 V HA -0.234 3.886 4.120 0.000 0.000 0.243 311 V C 2.408 178.591 176.094 0.149 0.000 1.042 311 V CA 1.532 63.879 62.300 0.078 0.000 1.000 311 V CB -0.338 31.497 31.823 0.021 0.000 0.637 311 V HN 0.158 nan 8.190 nan 0.000 0.446 312 V N 0.640 120.664 119.914 0.185 0.000 2.453 312 V HA -0.300 3.820 4.120 0.000 0.000 0.252 312 V C 2.804 179.085 176.094 0.312 0.000 1.068 312 V CA 2.363 64.785 62.300 0.204 0.000 1.070 312 V CB -0.855 31.134 31.823 0.277 0.000 0.664 312 V HN 0.723 nan 8.190 nan 0.000 0.461 313 S N 0.029 115.949 115.700 0.367 0.000 2.365 313 S HA -0.235 4.235 4.470 0.000 0.000 0.225 313 S C 1.920 176.833 174.600 0.521 0.000 1.039 313 S CA 2.147 60.634 58.200 0.478 0.000 1.033 313 S CB -0.410 63.031 63.200 0.401 0.000 0.887 313 S HN 0.570 nan 8.310 nan 0.000 0.447 314 L N 1.185 122.602 121.223 0.322 0.000 2.141 314 L HA 0.032 4.372 4.340 0.000 0.000 0.209 314 L C 3.117 180.058 176.870 0.117 0.000 1.094 314 L CA 0.949 55.896 54.840 0.179 0.000 0.763 314 L CB -0.844 41.246 42.059 0.052 0.000 0.908 314 L HN 0.468 nan 8.230 nan 0.000 0.437 315 A N 0.406 123.262 122.820 0.060 0.000 1.873 315 A HA -0.235 4.085 4.320 0.000 0.000 0.218 315 A C 2.093 179.622 177.584 -0.092 0.000 1.193 315 A CA 1.790 53.769 52.037 -0.098 0.000 0.629 315 A CB -0.951 17.912 19.000 -0.229 0.000 0.826 315 A HN 0.328 nan 8.150 nan 0.000 0.447 316 F N -2.222 117.814 119.950 0.143 0.000 2.186 316 F HA -0.112 4.415 4.527 0.000 0.000 0.299 316 F C 2.235 178.121 175.800 0.142 0.000 1.090 316 F CA 1.476 59.568 58.000 0.154 0.000 1.307 316 F CB -0.572 38.533 39.000 0.174 0.000 1.019 316 F HN 0.419 nan 8.300 nan 0.000 0.489 317 Y N 1.083 121.492 120.300 0.182 0.000 2.081 317 Y HA -0.211 4.339 4.550 0.000 0.000 0.280 317 Y C 2.439 178.283 175.900 -0.092 0.000 1.163 317 Y CA 1.559 59.538 58.100 -0.201 0.000 1.135 317 Y CB -1.052 36.918 38.460 -0.816 0.000 0.970 317 Y HN 0.008 nan 8.280 nan 0.000 0.498 318 G N 0.593 109.331 108.800 -0.104 0.000 2.446 318 G HA2 -0.381 3.579 3.960 0.000 0.000 0.217 318 G HA3 -0.381 3.579 3.960 0.000 0.000 0.217 318 G C 1.726 176.700 174.900 0.123 0.000 1.168 318 G CA 1.483 46.484 45.100 -0.165 0.000 0.771 318 G HN 0.604 nan 8.290 nan 0.000 0.551 319 M N 1.757 121.444 119.600 0.145 0.000 2.086 319 M HA -0.082 4.398 4.480 0.000 0.000 0.261 319 M C 2.516 179.020 176.300 0.340 0.000 1.067 319 M CA 2.929 58.416 55.300 0.313 0.000 1.116 319 M CB -0.316 32.450 32.600 0.277 0.000 1.348 319 M HN 0.209 nan 8.290 nan 0.000 0.407 320 S N -1.016 114.829 115.700 0.241 0.000 2.461 320 S HA -0.037 4.433 4.470 0.000 0.000 0.228 320 S C 1.716 176.420 174.600 0.174 0.000 1.005 320 S CA 0.888 59.244 58.200 0.260 0.000 0.942 320 S CB -1.412 61.914 63.200 0.210 0.000 0.776 320 S HN 0.724 nan 8.310 nan 0.000 0.514 321 T N -1.828 112.731 114.554 0.008 0.000 3.219 321 T HA 0.328 4.678 4.350 0.000 0.000 0.249 321 T C 0.740 175.508 174.700 0.113 0.000 1.099 321 T CA -0.337 61.737 62.100 -0.044 0.000 0.988 321 T CB -0.639 68.034 68.868 -0.325 0.000 0.999 321 T HN 0.556 nan 8.240 nan 0.000 0.550 322 F N 0.563 120.546 119.950 0.056 0.000 2.537 322 F HA 0.345 4.872 4.527 0.000 0.000 0.277 322 F C 2.275 178.055 175.800 -0.033 0.000 1.013 322 F CA -0.340 57.661 58.000 0.002 0.000 1.332 322 F CB 0.475 39.648 39.000 0.289 0.000 1.108 322 F HN 0.116 nan 8.300 nan 0.000 0.679 323 E N 0.674 120.865 120.200 -0.015 0.000 2.085 323 E HA -0.158 4.192 4.350 0.000 0.000 0.194 323 E C 2.194 178.619 176.600 -0.292 0.000 0.994 323 E CA 1.463 57.780 56.400 -0.140 0.000 0.801 323 E CB -0.496 29.302 29.700 0.163 0.000 0.743 323 E HN 0.553 nan 8.360 nan 0.000 0.453 324 G N 1.310 109.942 108.800 -0.280 0.000 2.511 324 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 324 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 324 G C -0.774 173.864 174.900 -0.437 0.000 1.218 324 G CA 1.030 45.834 45.100 -0.493 0.000 0.788 324 G HN 0.334 nan 8.290 nan 0.000 0.560 325 P HA -0.131 nan 4.420 nan 0.000 0.216 325 P C 2.256 179.408 177.300 -0.247 0.000 1.153 325 P CA 1.371 64.325 63.100 -0.243 0.000 0.858 325 P CB -0.044 31.560 31.700 -0.161 0.000 0.789 326 M N -1.957 117.477 119.600 -0.276 0.000 2.086 326 M HA -0.093 4.387 4.480 0.000 0.000 0.261 326 M C 2.078 178.196 176.300 -0.303 0.000 1.067 326 M CA 1.872 57.006 55.300 -0.275 0.000 1.116 326 M CB -1.476 30.920 32.600 -0.341 0.000 1.348 326 M HN 0.049 nan 8.290 nan 0.000 0.407 327 M N -0.635 118.706 119.600 -0.432 0.000 2.630 327 M HA -0.027 4.453 4.480 0.000 0.000 0.254 327 M C 1.748 177.818 176.300 -0.383 0.000 1.092 327 M CA 0.640 55.626 55.300 -0.523 0.000 1.087 327 M CB -0.397 31.743 32.600 -0.767 0.000 1.453 327 M HN 0.236 nan 8.290 nan 0.000 0.509 328 A N 0.295 122.916 122.820 -0.333 0.000 2.238 328 A HA 0.245 4.565 4.320 0.000 0.000 0.210 328 A C 0.860 178.451 177.584 0.012 0.000 1.179 328 A CA -0.161 51.769 52.037 -0.179 0.000 0.827 328 A CB -0.261 18.574 19.000 -0.275 0.000 0.856 328 A HN 0.357 nan 8.150 nan 0.000 0.488 329 I N 0.920 121.423 120.570 -0.111 0.000 2.533 329 I HA -0.007 4.163 4.170 0.000 0.000 0.284 329 I C 1.210 177.214 176.117 -0.187 0.000 1.109 329 I CA -0.275 60.946 61.300 -0.132 0.000 1.412 329 I CB 0.947 38.877 38.000 -0.117 0.000 1.396 329 I HN 0.246 nan 8.210 nan 0.000 0.543 330 K N 3.062 123.237 120.400 -0.375 0.000 2.052 330 K HA -0.220 4.100 4.320 0.000 0.000 0.215 330 K C 1.798 178.389 176.600 -0.015 0.000 1.053 330 K CA 2.101 58.107 56.287 -0.468 0.000 0.934 330 K CB -0.363 31.757 32.500 -0.634 0.000 0.717 330 K HN 0.693 nan 8.250 nan 0.000 0.450 331 T N 1.046 115.607 114.554 0.012 0.000 2.833 331 T HA -0.096 4.254 4.350 0.000 0.000 0.269 331 T C 2.045 176.764 174.700 0.031 0.000 1.054 331 T CA 1.209 63.345 62.100 0.060 0.000 1.135 331 T CB -0.142 68.741 68.868 0.024 0.000 0.869 331 T HN -0.020 nan 8.240 nan 0.000 0.466 332 V N 2.271 122.172 119.914 -0.021 0.000 2.283 332 V HA -0.131 3.989 4.120 0.000 0.000 0.243 332 V C 2.506 178.559 176.094 -0.068 0.000 1.039 332 V CA 1.384 63.657 62.300 -0.045 0.000 1.016 332 V CB -0.616 31.137 31.823 -0.117 0.000 0.650 332 V HN 0.549 nan 8.190 nan 0.000 0.449 333 N N 0.528 119.184 118.700 -0.074 0.000 2.272 333 N HA -0.199 4.541 4.740 0.000 0.000 0.185 333 N C 1.820 177.375 175.510 0.074 0.000 1.014 333 N CA 1.430 54.455 53.050 -0.041 0.000 0.870 333 N CB -0.002 38.516 38.487 0.051 0.000 0.975 333 N HN 0.481 nan 8.380 nan 0.000 0.433 334 A N 0.803 123.695 122.820 0.121 0.000 2.024 334 A HA -0.134 4.186 4.320 0.000 0.000 0.220 334 A C 2.132 179.794 177.584 0.129 0.000 1.164 334 A CA 0.935 53.043 52.037 0.119 0.000 0.643 334 A CB -0.358 18.655 19.000 0.022 0.000 0.806 334 A HN 0.384 nan 8.150 nan 0.000 0.451 335 L N -0.873 120.427 121.223 0.129 0.000 2.286 335 L HA 0.027 4.367 4.340 0.000 0.000 0.203 335 L C 2.763 179.769 176.870 0.226 0.000 1.068 335 L CA 1.685 56.632 54.840 0.180 0.000 0.811 335 L CB -0.224 41.947 42.059 0.186 0.000 0.989 335 L HN 0.414 nan 8.230 nan 0.000 0.467 336 S N -1.179 114.604 115.700 0.139 0.000 2.368 336 S HA -0.234 4.236 4.470 0.000 0.000 0.224 336 S C 1.143 175.816 174.600 0.122 0.000 1.029 336 S CA 0.354 58.590 58.200 0.060 0.000 0.988 336 S CB -0.738 62.116 63.200 -0.577 0.000 0.838 336 S HN 0.554 nan 8.310 nan 0.000 0.462 337 H N 0.338 119.397 119.070 -0.019 0.000 3.001 337 H HA 0.146 4.702 4.556 -0.000 0.000 0.334 337 H C 0.315 175.700 175.328 0.095 0.000 1.034 337 H CA 1.475 57.455 56.048 -0.113 0.000 1.420 337 H CB -0.283 29.315 29.762 -0.272 0.000 1.405 337 H HN 0.486 nan 8.280 nan 0.000 0.593 338 Y N -0.973 119.236 120.300 -0.151 0.000 4.545 338 Y HA -0.425 4.125 4.550 0.000 0.000 0.306 338 Y C 1.318 177.456 175.900 0.396 0.000 1.060 338 Y CA 0.974 59.129 58.100 0.093 0.000 1.834 338 Y CB -1.817 36.743 38.460 0.166 0.000 1.008 338 Y HN 0.756 nan 8.280 nan 0.000 0.436 339 T N -1.707 113.125 114.554 0.464 0.000 2.816 339 T HA 0.139 4.489 4.350 0.000 0.000 0.282 339 T C 0.852 175.726 174.700 0.290 0.000 0.993 339 T CA -0.084 62.195 62.100 0.297 0.000 0.994 339 T CB 1.173 70.102 68.868 0.102 0.000 1.025 339 T HN 0.131 nan 8.240 nan 0.000 0.529 340 D N -0.497 120.037 120.400 0.223 0.000 2.384 340 D HA -0.060 4.580 4.640 0.000 0.000 0.222 340 D C 1.151 177.659 176.300 0.346 0.000 0.976 340 D CA 0.467 54.618 54.000 0.252 0.000 0.915 340 D CB -0.090 40.800 40.800 0.151 0.000 0.896 340 D HN 0.656 nan 8.370 nan 0.000 0.523 341 W N 1.878 123.262 121.300 0.140 0.000 2.363 341 W HA -0.137 4.523 4.660 -0.000 0.000 0.296 341 W C 1.866 178.528 176.519 0.238 0.000 1.212 341 W CA 1.176 58.643 57.345 0.203 0.000 1.260 341 W CB -0.766 28.782 29.460 0.147 0.000 1.131 341 W HN -0.126 nan 8.180 nan 0.000 0.530 342 T N 1.436 116.210 114.554 0.367 0.000 2.684 342 T HA -0.233 4.117 4.350 0.000 0.000 0.267 342 T C 1.837 176.750 174.700 0.354 0.000 1.036 342 T CA 2.071 64.325 62.100 0.257 0.000 1.148 342 T CB -0.439 68.540 68.868 0.186 0.000 0.863 342 T HN -0.050 nan 8.240 nan 0.000 0.436 343 I N 1.470 122.263 120.570 0.371 0.000 2.286 343 I HA -0.066 4.104 4.170 0.000 0.000 0.248 343 I C 2.629 179.014 176.117 0.447 0.000 1.115 343 I CA 1.101 62.652 61.300 0.417 0.000 1.392 343 I CB -0.965 37.266 38.000 0.385 0.000 1.065 343 I HN 0.298 nan 8.210 nan 0.000 0.418 344 G N -0.782 108.261 108.800 0.405 0.000 2.433 344 G HA2 -0.377 3.583 3.960 0.000 0.000 0.216 344 G HA3 -0.377 3.583 3.960 0.000 0.000 0.216 344 G C 1.638 176.703 174.900 0.276 0.000 1.186 344 G CA 1.383 46.666 45.100 0.305 0.000 0.779 344 G HN 0.494 nan 8.290 nan 0.000 0.543 345 H N 0.653 119.925 119.070 0.337 0.000 2.289 345 H HA -0.138 4.418 4.556 0.000 0.000 0.294 345 H C 2.521 177.926 175.328 0.128 0.000 1.095 345 H CA 2.235 58.426 56.048 0.238 0.000 1.256 345 H CB -0.587 29.264 29.762 0.147 0.000 1.359 345 H HN 0.107 nan 8.280 nan 0.000 0.487 346 V N 0.524 120.404 119.914 -0.057 0.000 2.252 346 V HA -0.348 3.772 4.120 0.000 0.000 0.249 346 V C 2.314 178.207 176.094 -0.335 0.000 1.056 346 V CA 2.610 64.778 62.300 -0.220 0.000 1.022 346 V CB -0.760 31.048 31.823 -0.025 0.000 0.641 346 V HN 0.608 nan 8.190 nan 0.000 0.445 347 H N -0.461 118.448 119.070 -0.268 0.000 2.470 347 H HA 0.213 4.769 4.556 0.000 0.000 0.289 347 H C 2.126 177.169 175.328 -0.475 0.000 1.033 347 H CA 0.999 56.740 56.048 -0.512 0.000 1.331 347 H CB -0.425 28.672 29.762 -1.108 0.000 1.414 347 H HN 0.439 nan 8.280 nan 0.000 0.545 348 A N 0.517 123.204 122.820 -0.222 0.000 1.849 348 A HA -0.178 4.142 4.320 0.000 0.000 0.217 348 A C 2.744 180.260 177.584 -0.115 0.000 1.202 348 A CA 1.871 53.811 52.037 -0.161 0.000 0.629 348 A CB -1.389 17.648 19.000 0.063 0.000 0.834 348 A HN 0.502 nan 8.150 nan 0.000 0.447 349 G N -0.911 107.847 108.800 -0.070 0.000 2.469 349 G HA2 -0.055 3.905 3.960 0.000 0.000 0.219 349 G HA3 -0.055 3.905 3.960 0.000 0.000 0.219 349 G C 1.692 176.566 174.900 -0.043 0.000 1.150 349 G CA 1.860 46.977 45.100 0.028 0.000 0.763 349 G HN 0.902 nan 8.290 nan 0.000 0.561 350 A N 0.105 122.775 122.820 -0.251 0.000 1.874 350 A HA 0.296 4.616 4.320 0.000 0.000 0.214 350 A C 2.440 179.827 177.584 -0.328 0.000 1.189 350 A CA 1.064 52.905 52.037 -0.326 0.000 0.615 350 A CB -0.274 18.434 19.000 -0.488 0.000 0.830 350 A HN 0.319 nan 8.150 nan 0.000 0.443 351 L N -0.983 119.970 121.223 -0.450 0.000 2.049 351 L HA 0.031 4.371 4.340 0.000 0.000 0.203 351 L C 2.868 179.534 176.870 -0.341 0.000 1.074 351 L CA 1.063 55.538 54.840 -0.609 0.000 0.749 351 L CB -1.010 40.456 42.059 -0.988 0.000 0.907 351 L HN 0.457 nan 8.230 nan 0.000 0.439 352 G N -0.512 108.007 108.800 -0.470 0.000 2.418 352 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 352 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 352 G C 1.328 176.315 174.900 0.144 0.000 1.158 352 G CA 0.514 45.293 45.100 -0.535 0.000 0.771 352 G HN 0.548 nan 8.290 nan 0.000 0.545 353 W N 0.164 121.447 121.300 -0.028 0.000 3.096 353 W HA 0.045 4.705 4.660 -0.000 0.000 0.271 353 W C 2.019 178.492 176.519 -0.077 0.000 0.983 353 W CA 0.649 58.028 57.345 0.058 0.000 1.978 353 W CB -0.323 29.226 29.460 0.149 0.000 1.175 353 W HN 0.019 nan 8.180 nan 0.000 0.559 354 V N 2.888 122.325 119.914 -0.795 0.000 2.231 354 V HA -0.356 3.764 4.120 0.000 0.000 0.248 354 V C 2.795 178.541 176.094 -0.580 0.000 1.054 354 V CA 3.193 64.761 62.300 -1.219 0.000 1.015 354 V CB -1.837 29.382 31.823 -1.007 0.000 0.638 354 V HN 0.410 nan 8.190 nan 0.000 0.444 355 A N -0.418 122.319 122.820 -0.139 0.000 1.865 355 A HA -0.234 4.086 4.320 0.000 0.000 0.217 355 A C 2.250 179.944 177.584 0.183 0.000 1.191 355 A CA 2.410 54.585 52.037 0.230 0.000 0.623 355 A CB -0.519 18.671 19.000 0.315 0.000 0.826 355 A HN 0.480 nan 8.150 nan 0.000 0.444 356 M N -0.991 118.714 119.600 0.175 0.000 2.080 356 M HA -0.123 4.357 4.480 0.000 0.000 0.260 356 M C 2.269 178.654 176.300 0.142 0.000 1.068 356 M CA 1.543 57.015 55.300 0.287 0.000 1.109 356 M CB -1.045 31.769 32.600 0.357 0.000 1.342 356 M HN 0.305 nan 8.290 nan 0.000 0.405 357 V N 0.862 120.758 119.914 -0.029 0.000 2.343 357 V HA -0.241 3.879 4.120 0.000 0.000 0.247 357 V C 2.543 178.551 176.094 -0.144 0.000 1.051 357 V CA 2.493 64.731 62.300 -0.103 0.000 1.036 357 V CB -0.385 31.227 31.823 -0.352 0.000 0.654 357 V HN 0.609 nan 8.190 nan 0.000 0.451 358 S N -0.054 115.565 115.700 -0.136 0.000 2.387 358 S HA -0.106 4.364 4.470 0.000 0.000 0.226 358 S C 1.961 176.436 174.600 -0.209 0.000 1.026 358 S CA 1.270 59.381 58.200 -0.149 0.000 0.972 358 S CB -0.454 62.700 63.200 -0.076 0.000 0.814 358 S HN 0.440 nan 8.310 nan 0.000 0.477 359 I N 3.172 123.647 120.570 -0.159 0.000 2.068 359 I HA -0.202 3.968 4.170 0.000 0.000 0.238 359 I C 2.881 178.737 176.117 -0.436 0.000 1.046 359 I CA 1.969 63.048 61.300 -0.369 0.000 1.306 359 I CB -2.237 35.415 38.000 -0.579 0.000 1.023 359 I HN 0.455 nan 8.210 nan 0.000 0.399 360 G N 0.456 109.050 108.800 -0.343 0.000 2.491 360 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 360 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 360 G C 1.859 176.651 174.900 -0.179 0.000 1.180 360 G CA 1.511 46.530 45.100 -0.136 0.000 0.774 360 G HN 0.552 nan 8.290 nan 0.000 0.562 361 A N 0.372 122.939 122.820 -0.422 0.000 1.908 361 A HA 0.051 4.371 4.320 0.000 0.000 0.218 361 A C 2.494 179.681 177.584 -0.661 0.000 1.181 361 A CA 1.500 52.926 52.037 -1.017 0.000 0.627 361 A CB -0.415 17.768 19.000 -1.362 0.000 0.818 361 A HN 0.380 nan 8.150 nan 0.000 0.445 362 L N -2.328 118.644 121.223 -0.419 0.000 2.005 362 L HA -0.204 4.136 4.340 0.000 0.000 0.207 362 L C 2.571 179.350 176.870 -0.152 0.000 1.072 362 L CA 1.691 56.360 54.840 -0.286 0.000 0.744 362 L CB -0.811 41.073 42.059 -0.292 0.000 0.895 362 L HN 0.496 nan 8.230 nan 0.000 0.433 363 Y N -0.746 119.468 120.300 -0.144 0.000 2.181 363 Y HA -0.412 4.138 4.550 0.000 0.000 0.284 363 Y C 2.796 178.687 175.900 -0.014 0.000 1.179 363 Y CA 1.706 59.755 58.100 -0.084 0.000 1.179 363 Y CB -0.337 38.052 38.460 -0.118 0.000 0.973 363 Y HN 0.326 nan 8.280 nan 0.000 0.519 364 H N 0.007 119.124 119.070 0.078 0.000 2.307 364 H HA -0.146 4.410 4.556 0.000 0.000 0.303 364 H C 2.000 177.378 175.328 0.085 0.000 1.073 364 H CA 2.023 58.148 56.048 0.128 0.000 1.338 364 H CB -0.174 29.756 29.762 0.281 0.000 1.389 364 H HN 0.275 nan 8.280 nan 0.000 0.503 365 L N -1.162 120.170 121.223 0.183 0.000 2.162 365 L HA 0.110 4.450 4.340 0.000 0.000 0.205 365 L C 2.188 178.983 176.870 -0.125 0.000 1.086 365 L CA 0.878 55.663 54.840 -0.092 0.000 0.778 365 L CB -0.973 40.841 42.059 -0.408 0.000 0.928 365 L HN 0.105 nan 8.230 nan 0.000 0.446 366 V N 0.980 120.873 119.914 -0.036 0.000 2.250 366 V HA -0.225 3.895 4.120 0.000 0.000 0.250 366 V C 0.263 176.460 176.094 0.171 0.000 1.060 366 V CA 2.753 65.101 62.300 0.081 0.000 1.030 366 V CB -1.976 29.857 31.823 0.016 0.000 0.643 366 V HN 0.402 nan 8.190 nan 0.000 0.445 367 P HA -0.134 nan 4.420 nan 0.000 0.213 367 P C 1.618 179.005 177.300 0.146 0.000 1.170 367 P CA 1.353 64.510 63.100 0.094 0.000 0.898 367 P CB -0.090 31.630 31.700 0.033 0.000 0.787 368 K N -0.372 120.086 120.400 0.096 0.000 2.052 368 K HA -0.146 4.174 4.320 0.000 0.000 0.215 368 K C 1.957 178.712 176.600 0.257 0.000 1.053 368 K CA 1.567 57.967 56.287 0.187 0.000 0.934 368 K CB -1.528 31.085 32.500 0.188 0.000 0.717 368 K HN -0.054 nan 8.250 nan 0.000 0.450 369 V N -0.115 119.839 119.914 0.067 0.000 2.759 369 V HA -0.139 3.981 4.120 0.000 0.000 0.256 369 V C 1.150 177.251 176.094 0.012 0.000 1.080 369 V CA 1.262 63.518 62.300 -0.074 0.000 1.101 369 V CB -0.451 31.171 31.823 -0.334 0.000 0.698 369 V HN 0.189 nan 8.190 nan 0.000 0.477 370 F N 0.805 120.796 119.950 0.069 0.000 2.713 370 F HA 0.472 4.999 4.527 0.000 0.000 0.294 370 F C 1.625 177.477 175.800 0.087 0.000 1.152 370 F CA 0.179 58.217 58.000 0.063 0.000 1.385 370 F CB -0.411 38.592 39.000 0.005 0.000 0.981 370 F HN 0.210 nan 8.300 nan 0.000 0.514 371 G N 2.303 111.260 108.800 0.262 0.000 2.352 371 G HA2 -0.314 3.646 3.960 0.000 0.000 0.283 371 G HA3 -0.314 3.646 3.960 0.000 0.000 0.283 371 G C -0.046 174.929 174.900 0.127 0.000 0.946 371 G CA 0.439 45.675 45.100 0.225 0.000 1.317 371 G HN 0.543 nan 8.290 nan 0.000 0.478 372 R N -0.169 120.399 120.500 0.114 0.000 2.561 372 R HA 0.492 4.832 4.340 0.000 0.000 0.266 372 R C 0.995 177.312 176.300 0.028 0.000 1.091 372 R CA -0.332 55.794 56.100 0.045 0.000 0.927 372 R CB 0.714 31.049 30.300 0.059 0.000 1.240 372 R HN 0.080 nan 8.270 nan 0.000 0.449 373 E N 2.472 122.662 120.200 -0.016 0.000 2.208 373 E HA -0.084 4.266 4.350 0.000 0.000 0.193 373 E C -0.056 176.535 176.600 -0.014 0.000 0.988 373 E CA 1.042 57.431 56.400 -0.019 0.000 0.828 373 E CB -0.094 29.581 29.700 -0.042 0.000 0.763 373 E HN 0.679 nan 8.360 nan 0.000 0.478 374 Q N -1.731 118.062 119.800 -0.012 0.000 2.782 374 Q HA 0.352 4.692 4.340 0.000 0.000 0.308 374 Q C -0.596 175.403 176.000 -0.001 0.000 0.883 374 Q CA -1.019 54.775 55.803 -0.015 0.000 0.755 374 Q CB 0.542 29.264 28.738 -0.027 0.000 1.454 374 Q HN -0.157 nan 8.270 nan 0.000 0.452 375 M N 1.394 120.999 119.600 0.008 0.000 2.184 375 M HA 0.000 4.480 4.480 0.000 0.000 0.296 375 M C 1.380 177.697 176.300 0.029 0.000 1.165 375 M CA 0.631 55.953 55.300 0.036 0.000 1.175 375 M CB -0.262 32.376 32.600 0.063 0.000 1.392 375 M HN 0.885 nan 8.290 nan 0.000 0.457 376 H N 0.220 119.259 119.070 -0.051 0.000 2.326 376 H HA -0.026 4.530 4.556 0.000 0.000 0.301 376 H C 0.059 175.365 175.328 -0.036 0.000 1.081 376 H CA 1.367 57.373 56.048 -0.070 0.000 1.334 376 H CB 0.491 30.180 29.762 -0.122 0.000 1.385 376 H HN 0.511 nan 8.280 nan 0.000 0.504 377 S N -0.513 115.097 115.700 -0.151 0.000 2.672 377 S HA 0.276 4.746 4.470 0.000 0.000 0.291 377 S C 0.776 175.332 174.600 -0.074 0.000 1.145 377 S CA -0.824 57.270 58.200 -0.176 0.000 1.013 377 S CB 0.975 64.106 63.200 -0.115 0.000 1.017 377 S HN 0.339 nan 8.310 nan 0.000 0.487 378 I N 4.190 124.710 120.570 -0.083 0.000 2.439 378 I HA 0.042 4.212 4.170 0.000 0.000 0.251 378 I C 2.526 178.617 176.117 -0.043 0.000 1.139 378 I CA 1.208 62.461 61.300 -0.078 0.000 1.438 378 I CB -0.431 37.528 38.000 -0.069 0.000 1.085 378 I HN 0.868 nan 8.210 nan 0.000 0.427 379 G N 1.154 109.946 108.800 -0.014 0.000 2.469 379 G HA2 -0.230 3.730 3.960 0.000 0.000 0.219 379 G HA3 -0.230 3.730 3.960 0.000 0.000 0.219 379 G C 1.632 176.576 174.900 0.072 0.000 1.150 379 G CA 0.533 45.652 45.100 0.031 0.000 0.763 379 G HN 0.307 nan 8.290 nan 0.000 0.561 380 L N 0.127 121.395 121.223 0.076 0.000 2.376 380 L HA 0.127 4.467 4.340 0.000 0.000 0.219 380 L C 2.610 179.570 176.870 0.150 0.000 1.133 380 L CA 0.162 55.085 54.840 0.138 0.000 0.816 380 L CB -0.212 41.958 42.059 0.186 0.000 0.933 380 L HN 0.256 nan 8.230 nan 0.000 0.449 381 I N -0.513 120.060 120.570 0.005 0.000 2.406 381 I HA -0.234 3.936 4.170 0.000 0.000 0.249 381 I C 2.376 178.583 176.117 0.150 0.000 1.122 381 I CA 0.955 62.181 61.300 -0.123 0.000 1.431 381 I CB -0.325 37.404 38.000 -0.451 0.000 1.087 381 I HN 0.375 nan 8.210 nan 0.000 0.424 382 N N 0.784 119.546 118.700 0.103 0.000 2.171 382 N HA -0.172 4.568 4.740 0.000 0.000 0.184 382 N C 2.003 177.694 175.510 0.302 0.000 1.021 382 N CA 2.134 55.266 53.050 0.136 0.000 0.854 382 N CB 0.114 38.675 38.487 0.124 0.000 0.994 382 N HN 0.381 nan 8.380 nan 0.000 0.426 383 T N -2.092 112.640 114.554 0.296 0.000 2.821 383 T HA -0.169 4.181 4.350 0.000 0.000 0.267 383 T C 1.883 176.794 174.700 0.351 0.000 1.046 383 T CA 1.290 63.587 62.100 0.328 0.000 1.139 383 T CB -0.796 68.204 68.868 0.219 0.000 0.871 383 T HN 0.377 nan 8.240 nan 0.000 0.454 384 H N -0.471 118.741 119.070 0.236 0.000 2.319 384 H HA -0.106 4.450 4.556 0.000 0.000 0.299 384 H C 2.062 177.524 175.328 0.222 0.000 1.092 384 H CA 1.535 57.741 56.048 0.263 0.000 1.302 384 H CB -0.348 29.668 29.762 0.423 0.000 1.373 384 H HN 0.415 nan 8.280 nan 0.000 0.497 385 F N 0.323 120.286 119.950 0.022 0.000 2.091 385 F HA -0.284 4.243 4.527 0.000 0.000 0.299 385 F C 1.722 177.245 175.800 -0.460 0.000 1.103 385 F CA 1.928 59.504 58.000 -0.708 0.000 1.228 385 F CB -0.588 37.796 39.000 -1.026 0.000 0.984 385 F HN 0.231 nan 8.300 nan 0.000 0.477 386 W N 0.436 121.746 121.300 0.018 0.000 2.409 386 W HA -0.073 4.587 4.660 -0.000 0.000 0.299 386 W C 2.320 178.795 176.519 -0.074 0.000 1.203 386 W CA 0.984 58.297 57.345 -0.052 0.000 1.298 386 W CB -0.581 28.946 29.460 0.111 0.000 1.127 386 W HN -0.011 nan 8.180 nan 0.000 0.528 387 L N 0.060 121.408 121.223 0.209 0.000 2.012 387 L HA -0.250 4.090 4.340 0.000 0.000 0.210 387 L C 2.648 179.556 176.870 0.064 0.000 1.073 387 L CA 1.457 56.382 54.840 0.142 0.000 0.748 387 L CB -1.352 40.785 42.059 0.129 0.000 0.891 387 L HN 0.013 nan 8.230 nan 0.000 0.431 388 A N -0.543 122.241 122.820 -0.060 0.000 1.933 388 A HA -0.170 4.150 4.320 0.000 0.000 0.218 388 A C 2.358 179.965 177.584 0.038 0.000 1.175 388 A CA 2.244 54.181 52.037 -0.167 0.000 0.628 388 A CB -0.797 18.027 19.000 -0.294 0.000 0.814 388 A HN 0.407 nan 8.150 nan 0.000 0.444 389 T N 0.692 115.113 114.554 -0.221 0.000 2.698 389 T HA -0.069 4.281 4.350 0.000 0.000 0.260 389 T C 1.862 176.611 174.700 0.083 0.000 1.044 389 T CA 1.347 63.365 62.100 -0.137 0.000 1.149 389 T CB -0.339 68.266 68.868 -0.438 0.000 0.864 389 T HN 0.308 nan 8.240 nan 0.000 0.419 390 I N 1.972 122.624 120.570 0.136 0.000 2.113 390 I HA -0.211 3.959 4.170 0.000 0.000 0.242 390 I C 2.910 179.119 176.117 0.152 0.000 1.064 390 I CA 1.958 63.355 61.300 0.162 0.000 1.320 390 I CB -2.060 36.040 38.000 0.166 0.000 1.028 390 I HN 0.354 nan 8.210 nan 0.000 0.406 391 G N 0.569 109.484 108.800 0.191 0.000 2.599 391 G HA2 -0.322 3.638 3.960 0.000 0.000 0.219 391 G HA3 -0.322 3.638 3.960 0.000 0.000 0.219 391 G C 1.678 176.699 174.900 0.201 0.000 1.193 391 G CA 1.918 47.172 45.100 0.257 0.000 0.778 391 G HN 0.371 nan 8.290 nan 0.000 0.589 392 T N 0.581 115.223 114.554 0.147 0.000 2.652 392 T HA -0.131 4.219 4.350 0.000 0.000 0.267 392 T C 2.565 177.235 174.700 -0.051 0.000 1.039 392 T CA 1.449 63.487 62.100 -0.103 0.000 1.153 392 T CB -0.407 68.233 68.868 -0.380 0.000 0.863 392 T HN 0.063 nan 8.240 nan 0.000 0.428 393 V N 1.481 121.428 119.914 0.055 0.000 2.287 393 V HA -0.174 3.946 4.120 0.000 0.000 0.248 393 V C 2.524 178.631 176.094 0.022 0.000 1.053 393 V CA 1.611 63.958 62.300 0.079 0.000 1.027 393 V CB -0.778 31.135 31.823 0.150 0.000 0.646 393 V HN 0.405 nan 8.190 nan 0.000 0.447 394 L N -1.460 119.795 121.223 0.053 0.000 2.013 394 L HA -0.286 4.054 4.340 0.000 0.000 0.212 394 L C 2.409 179.279 176.870 0.001 0.000 1.073 394 L CA 2.394 57.249 54.840 0.025 0.000 0.753 394 L CB -0.643 41.441 42.059 0.041 0.000 0.890 394 L HN 0.379 nan 8.230 nan 0.000 0.432 395 Y N 0.267 120.499 120.300 -0.114 0.000 2.097 395 Y HA -0.324 4.226 4.550 0.000 0.000 0.282 395 Y C 2.531 178.296 175.900 -0.226 0.000 1.152 395 Y CA 1.706 59.712 58.100 -0.158 0.000 1.136 395 Y CB -0.010 38.348 38.460 -0.170 0.000 0.975 395 Y HN 0.027 nan 8.280 nan 0.000 0.498 396 I N 0.035 120.588 120.570 -0.028 0.000 2.091 396 I HA -0.434 3.736 4.170 0.000 0.000 0.239 396 I C 2.720 178.480 176.117 -0.594 0.000 1.061 396 I CA 1.408 62.462 61.300 -0.410 0.000 1.317 396 I CB -0.863 36.801 38.000 -0.561 0.000 1.031 396 I HN 0.357 nan 8.210 nan 0.000 0.401 397 A N 0.845 123.445 122.820 -0.368 0.000 1.892 397 A HA -0.283 4.037 4.320 0.000 0.000 0.218 397 A C 2.498 180.020 177.584 -0.103 0.000 1.188 397 A CA 2.747 54.675 52.037 -0.181 0.000 0.631 397 A CB -1.050 17.918 19.000 -0.054 0.000 0.822 397 A HN 0.575 nan 8.150 nan 0.000 0.447 398 S N -1.055 114.574 115.700 -0.118 0.000 2.383 398 S HA -0.133 4.337 4.470 0.000 0.000 0.227 398 S C 1.906 176.439 174.600 -0.111 0.000 1.026 398 S CA 1.686 59.813 58.200 -0.122 0.000 0.981 398 S CB -0.421 62.679 63.200 -0.166 0.000 0.818 398 S HN 0.367 nan 8.310 nan 0.000 0.472 399 M N 0.061 119.606 119.600 -0.091 0.000 2.200 399 M HA 0.069 4.549 4.480 0.000 0.000 0.265 399 M C 1.882 178.217 176.300 0.058 0.000 1.066 399 M CA 0.774 56.072 55.300 -0.002 0.000 1.127 399 M CB -1.439 31.222 32.600 0.101 0.000 1.379 399 M HN 0.433 nan 8.290 nan 0.000 0.420 400 W N 0.508 121.734 121.300 -0.123 0.000 2.354 400 W HA -0.109 4.551 4.660 -0.000 0.000 0.315 400 W C 2.548 178.883 176.519 -0.307 0.000 1.206 400 W CA 0.714 57.866 57.345 -0.323 0.000 1.290 400 W CB -1.636 27.639 29.460 -0.308 0.000 1.152 400 W HN 0.003 nan 8.180 nan 0.000 0.489 401 V N 1.214 121.140 119.914 0.020 0.000 2.231 401 V HA -0.378 3.742 4.120 0.000 0.000 0.248 401 V C 2.179 178.180 176.094 -0.154 0.000 1.054 401 V CA 2.474 64.722 62.300 -0.087 0.000 1.015 401 V CB -1.199 30.572 31.823 -0.087 0.000 0.638 401 V HN 0.090 nan 8.190 nan 0.000 0.444 402 N N 0.614 119.216 118.700 -0.163 0.000 2.043 402 N HA -0.136 4.604 4.740 0.000 0.000 0.193 402 N C 1.844 177.229 175.510 -0.207 0.000 1.037 402 N CA 1.775 54.688 53.050 -0.228 0.000 0.851 402 N CB -0.947 37.398 38.487 -0.235 0.000 1.027 402 N HN 0.492 nan 8.380 nan 0.000 0.422 403 G N 0.939 109.682 108.800 -0.096 0.000 2.440 403 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 403 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 403 G C 1.381 176.202 174.900 -0.131 0.000 1.154 403 G CA 0.545 45.629 45.100 -0.026 0.000 0.767 403 G HN 0.168 nan 8.290 nan 0.000 0.552 404 I N 1.915 122.353 120.570 -0.219 0.000 2.252 404 I HA -0.084 4.086 4.170 0.000 0.000 0.245 404 I C 3.270 179.239 176.117 -0.247 0.000 1.102 404 I CA 0.976 62.132 61.300 -0.241 0.000 1.385 404 I CB -1.378 36.449 38.000 -0.289 0.000 1.064 404 I HN 0.259 nan 8.210 nan 0.000 0.414 405 A N 0.188 122.843 122.820 -0.276 0.000 1.883 405 A HA -0.271 4.049 4.320 0.000 0.000 0.217 405 A C 2.291 179.601 177.584 -0.456 0.000 1.186 405 A CA 1.814 53.654 52.037 -0.328 0.000 0.624 405 A CB -0.689 18.118 19.000 -0.322 0.000 0.822 405 A HN 0.493 nan 8.150 nan 0.000 0.444 406 Q N -0.942 118.516 119.800 -0.570 0.000 1.993 406 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 406 Q C 2.337 177.676 176.000 -1.100 0.000 0.984 406 Q CA 1.361 56.540 55.803 -1.040 0.000 0.837 406 Q CB -0.614 27.467 28.738 -1.095 0.000 0.902 406 Q HN 0.660 nan 8.270 nan 0.000 0.423 407 G N 1.317 109.744 108.800 -0.621 0.000 2.529 407 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 407 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 407 G C 1.397 176.238 174.900 -0.099 0.000 1.177 407 G CA 1.108 46.078 45.100 -0.216 0.000 0.773 407 G HN 0.305 nan 8.290 nan 0.000 0.573 408 L N -0.267 120.870 121.223 -0.142 0.000 1.970 408 L HA -0.049 4.291 4.340 0.000 0.000 0.212 408 L C 3.036 179.883 176.870 -0.037 0.000 1.071 408 L CA 1.815 56.611 54.840 -0.072 0.000 0.751 408 L CB -0.156 41.838 42.059 -0.109 0.000 0.889 408 L HN 0.267 nan 8.230 nan 0.000 0.432 409 M N -1.636 117.848 119.600 -0.192 0.000 2.159 409 M HA -0.245 4.235 4.480 0.000 0.000 0.263 409 M C 2.046 178.472 176.300 0.210 0.000 1.063 409 M CA 1.657 56.868 55.300 -0.148 0.000 1.110 409 M CB -0.440 31.839 32.600 -0.535 0.000 1.374 409 M HN 0.401 nan 8.290 nan 0.000 0.411 410 W N 0.991 122.328 121.300 0.061 0.000 2.358 410 W HA -0.137 4.523 4.660 0.000 0.000 0.303 410 W C 2.518 179.115 176.519 0.129 0.000 1.208 410 W CA 1.361 58.778 57.345 0.119 0.000 1.274 410 W CB -0.898 28.646 29.460 0.140 0.000 1.138 410 W HN 0.361 nan 8.180 nan 0.000 0.515 411 R N 0.291 120.989 120.500 0.329 0.000 2.312 411 R HA 0.456 4.796 4.340 0.000 0.000 0.205 411 R C 0.870 177.266 176.300 0.160 0.000 0.904 411 R CA 0.476 56.704 56.100 0.213 0.000 1.052 411 R CB -0.665 29.737 30.300 0.169 0.000 1.014 411 R HN -0.149 nan 8.270 nan 0.000 0.503 412 A N 2.398 125.334 122.820 0.193 0.000 2.553 412 A HA 0.174 4.494 4.320 0.000 0.000 0.258 412 A C -0.035 177.606 177.584 0.094 0.000 1.069 412 A CA 0.189 52.324 52.037 0.164 0.000 0.767 412 A CB -0.269 18.912 19.000 0.302 0.000 0.997 412 A HN 0.383 nan 8.150 nan 0.000 0.512 413 I N 3.182 123.781 120.570 0.048 0.000 2.525 413 I HA 0.188 4.358 4.170 0.000 0.000 0.301 413 I C 0.770 176.878 176.117 -0.015 0.000 0.992 413 I CA -0.512 60.798 61.300 0.015 0.000 1.162 413 I CB 1.471 39.483 38.000 0.021 0.000 1.332 413 I HN 0.738 nan 8.210 nan 0.000 0.458 414 N N 3.105 121.784 118.700 -0.035 0.000 2.366 414 N HA 0.009 4.749 4.740 0.000 0.000 0.277 414 N C 0.315 175.810 175.510 -0.024 0.000 1.275 414 N CA -0.321 52.703 53.050 -0.043 0.000 0.964 414 N CB 0.689 39.142 38.487 -0.058 0.000 1.167 414 N HN 0.625 nan 8.380 nan 0.000 0.568 415 D N -0.326 120.059 120.400 -0.025 0.000 2.218 415 D HA -0.180 4.460 4.640 0.000 0.000 0.204 415 D C 0.511 176.803 176.300 -0.013 0.000 0.976 415 D CA 1.180 55.170 54.000 -0.016 0.000 0.853 415 D CB -0.381 40.409 40.800 -0.017 0.000 0.939 415 D HN 0.553 nan 8.370 nan 0.000 0.481 416 D N -1.428 118.963 120.400 -0.016 0.000 2.358 416 D HA 0.252 4.892 4.640 0.000 0.000 0.224 416 D C 1.612 177.906 176.300 -0.010 0.000 1.123 416 D CA 0.169 54.161 54.000 -0.012 0.000 0.833 416 D CB 0.049 40.841 40.800 -0.014 0.000 0.946 416 D HN 0.289 nan 8.370 nan 0.000 0.505 417 G N 0.301 109.096 108.800 -0.009 0.000 2.234 417 G HA2 -0.317 3.643 3.960 0.000 0.000 0.260 417 G HA3 -0.317 3.643 3.960 0.000 0.000 0.260 417 G C 0.621 175.520 174.900 -0.003 0.000 0.987 417 G CA 0.637 45.735 45.100 -0.003 0.000 0.625 417 G HN 0.808 nan 8.290 nan 0.000 0.532 418 T N -0.225 114.324 114.554 -0.009 0.000 2.899 418 T HA 0.617 4.967 4.350 0.000 0.000 0.295 418 T C 0.721 175.414 174.700 -0.011 0.000 1.033 418 T CA -0.591 61.504 62.100 -0.009 0.000 1.084 418 T CB 1.653 70.511 68.868 -0.016 0.000 0.979 418 T HN 0.538 nan 8.240 nan 0.000 0.532 419 L N 2.734 123.960 121.223 0.004 0.000 2.455 419 L HA 0.132 4.472 4.340 0.000 0.000 0.272 419 L C 1.791 178.643 176.870 -0.030 0.000 1.174 419 L CA -0.330 54.522 54.840 0.019 0.000 0.869 419 L CB 0.393 42.486 42.059 0.058 0.000 1.130 419 L HN 0.924 nan 8.230 nan 0.000 0.474 420 T N 1.709 116.210 114.554 -0.089 0.000 2.857 420 T HA -0.037 4.313 4.350 0.000 0.000 0.266 420 T C -0.138 174.281 174.700 -0.468 0.000 1.048 420 T CA 1.287 63.179 62.100 -0.346 0.000 1.139 420 T CB -0.097 68.433 68.868 -0.564 0.000 0.874 420 T HN 0.286 nan 8.240 nan 0.000 0.455 421 Y N 1.122 121.456 120.300 0.057 0.000 2.425 421 Y HA 0.464 5.014 4.550 0.000 0.000 0.344 421 Y C 0.503 176.458 175.900 0.092 0.000 0.969 421 Y CA -1.524 56.612 58.100 0.061 0.000 1.052 421 Y CB 1.312 39.805 38.460 0.055 0.000 1.215 421 Y HN -0.024 nan 8.280 nan 0.000 0.451 422 S N 1.751 117.594 115.700 0.237 0.000 2.584 422 S HA 0.026 4.496 4.470 0.000 0.000 0.270 422 S C 0.734 175.481 174.600 0.245 0.000 1.346 422 S CA -0.519 57.802 58.200 0.202 0.000 1.018 422 S CB 0.424 63.712 63.200 0.146 0.000 0.899 422 S HN 0.732 nan 8.310 nan 0.000 0.542 423 F N 2.012 122.034 119.950 0.120 0.000 2.216 423 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 423 F C 1.990 177.874 175.800 0.140 0.000 1.085 423 F CA 1.346 59.426 58.000 0.135 0.000 1.326 423 F CB -0.324 38.683 39.000 0.012 0.000 1.027 423 F HN 0.448 nan 8.300 nan 0.000 0.497 424 V N 0.123 120.152 119.914 0.192 0.000 2.515 424 V HA -0.252 3.868 4.120 0.000 0.000 0.250 424 V C 2.120 178.215 176.094 0.001 0.000 1.058 424 V CA 2.077 64.438 62.300 0.102 0.000 1.064 424 V CB -0.454 31.442 31.823 0.121 0.000 0.675 424 V HN 0.328 nan 8.190 nan 0.000 0.461 425 E N 0.318 120.532 120.200 0.024 0.000 2.077 425 E HA -0.207 4.143 4.350 0.000 0.000 0.193 425 E C 2.380 178.904 176.600 -0.126 0.000 0.989 425 E CA 1.646 58.043 56.400 -0.005 0.000 0.800 425 E CB -0.227 29.539 29.700 0.109 0.000 0.746 425 E HN 0.728 nan 8.360 nan 0.000 0.452 426 S N 0.894 116.486 115.700 -0.180 0.000 2.368 426 S HA -0.142 4.328 4.470 0.000 0.000 0.225 426 S C 2.071 176.482 174.600 -0.315 0.000 1.030 426 S CA 0.592 58.610 58.200 -0.303 0.000 0.999 426 S CB -0.380 62.663 63.200 -0.261 0.000 0.844 426 S HN 0.247 nan 8.310 nan 0.000 0.459 427 L N 1.061 122.105 121.223 -0.299 0.000 2.012 427 L HA -0.137 4.203 4.340 0.000 0.000 0.210 427 L C 2.836 179.628 176.870 -0.129 0.000 1.073 427 L CA 2.183 56.922 54.840 -0.168 0.000 0.748 427 L CB -0.575 41.459 42.059 -0.043 0.000 0.891 427 L HN 0.494 nan 8.230 nan 0.000 0.431 428 E N -0.497 119.638 120.200 -0.108 0.000 2.072 428 E HA -0.208 4.142 4.350 0.000 0.000 0.191 428 E C 2.147 178.666 176.600 -0.135 0.000 0.985 428 E CA 1.077 57.426 56.400 -0.086 0.000 0.801 428 E CB -0.120 29.543 29.700 -0.063 0.000 0.750 428 E HN 0.577 nan 8.360 nan 0.000 0.452 429 A N 0.780 123.483 122.820 -0.194 0.000 1.978 429 A HA -0.181 4.139 4.320 0.000 0.000 0.220 429 A C 2.200 179.604 177.584 -0.299 0.000 1.170 429 A CA 1.622 53.519 52.037 -0.234 0.000 0.636 429 A CB -0.300 18.526 19.000 -0.291 0.000 0.810 429 A HN 0.130 nan 8.150 nan 0.000 0.448 430 S N -1.311 114.145 115.700 -0.407 0.000 2.522 430 S HA -0.059 4.411 4.470 0.000 0.000 0.227 430 S C 1.688 175.783 174.600 -0.842 0.000 0.986 430 S CA 0.422 58.196 58.200 -0.710 0.000 0.929 430 S CB -0.480 62.131 63.200 -0.981 0.000 0.769 430 S HN 0.762 nan 8.310 nan 0.000 0.529 431 H N 2.518 121.292 119.070 -0.494 0.000 2.321 431 H HA -0.043 4.513 4.556 0.000 0.000 0.300 431 H C -0.968 174.205 175.328 -0.259 0.000 1.087 431 H CA 1.751 57.619 56.048 -0.299 0.000 1.319 431 H CB -0.979 28.698 29.762 -0.141 0.000 1.379 431 H HN 0.241 nan 8.280 nan 0.000 0.501 432 P HA -0.121 nan 4.420 nan 0.000 0.215 432 P C 1.698 178.837 177.300 -0.268 0.000 1.157 432 P CA 1.963 64.950 63.100 -0.187 0.000 0.874 432 P CB -0.656 30.974 31.700 -0.117 0.000 0.790 433 G N -1.048 107.554 108.800 -0.329 0.000 2.469 433 G HA2 -0.278 3.682 3.960 0.000 0.000 0.219 433 G HA3 -0.278 3.682 3.960 0.000 0.000 0.219 433 G C 1.199 175.933 174.900 -0.276 0.000 1.150 433 G CA 0.545 45.454 45.100 -0.318 0.000 0.763 433 G HN 0.116 nan 8.290 nan 0.000 0.561 434 F N 0.597 120.309 119.950 -0.397 0.000 2.202 434 F HA -0.026 4.501 4.527 -0.000 0.000 0.301 434 F C 2.772 178.239 175.800 -0.555 0.000 1.082 434 F CA 0.096 57.804 58.000 -0.487 0.000 1.313 434 F CB -0.719 37.935 39.000 -0.577 0.000 1.024 434 F HN 0.012 nan 8.300 nan 0.000 0.495 435 V N -1.275 118.413 119.914 -0.378 0.000 2.379 435 V HA -0.166 3.954 4.120 0.000 0.000 0.243 435 V C 2.350 178.339 176.094 -0.176 0.000 1.035 435 V CA 0.985 63.076 62.300 -0.348 0.000 1.035 435 V CB -0.606 31.045 31.823 -0.286 0.000 0.673 435 V HN 0.082 nan 8.190 nan 0.000 0.457 436 V N 0.530 120.346 119.914 -0.163 0.000 2.332 436 V HA -0.297 3.823 4.120 0.000 0.000 0.248 436 V C 2.599 178.591 176.094 -0.169 0.000 1.055 436 V CA 2.540 64.768 62.300 -0.120 0.000 1.038 436 V CB -0.826 30.929 31.823 -0.113 0.000 0.651 436 V HN 0.514 nan 8.190 nan 0.000 0.450 437 R N -0.419 119.920 120.500 -0.269 0.000 2.096 437 R HA -0.172 4.168 4.340 0.000 0.000 0.235 437 R C 2.336 178.402 176.300 -0.389 0.000 1.127 437 R CA 1.830 57.647 56.100 -0.471 0.000 0.968 437 R CB -0.291 29.610 30.300 -0.665 0.000 0.861 437 R HN 0.441 nan 8.270 nan 0.000 0.440 438 M N 0.689 120.129 119.600 -0.265 0.000 2.159 438 M HA -0.147 4.333 4.480 0.000 0.000 0.263 438 M C 1.878 178.153 176.300 -0.043 0.000 1.063 438 M CA 1.609 56.813 55.300 -0.160 0.000 1.110 438 M CB -0.181 32.337 32.600 -0.136 0.000 1.374 438 M HN 0.218 nan 8.290 nan 0.000 0.411 439 I N -0.354 120.204 120.570 -0.020 0.000 2.286 439 I HA -0.145 4.025 4.170 0.000 0.000 0.245 439 I C 2.551 178.702 176.117 0.056 0.000 1.104 439 I CA 1.123 62.449 61.300 0.043 0.000 1.397 439 I CB -0.946 37.083 38.000 0.048 0.000 1.072 439 I HN 0.363 nan 8.210 nan 0.000 0.417 440 G N 0.663 109.468 108.800 0.009 0.000 2.459 440 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 440 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 440 G C 1.757 176.767 174.900 0.184 0.000 1.183 440 G CA 0.881 46.027 45.100 0.076 0.000 0.776 440 G HN 0.482 nan 8.290 nan 0.000 0.552 441 G N 1.126 110.016 108.800 0.150 0.000 2.440 441 G HA2 0.017 3.977 3.960 0.000 0.000 0.218 441 G HA3 0.017 3.977 3.960 0.000 0.000 0.218 441 G C 2.087 177.158 174.900 0.284 0.000 1.154 441 G CA 1.646 46.897 45.100 0.252 0.000 0.767 441 G HN 0.689 nan 8.290 nan 0.000 0.552 442 A N 0.869 123.802 122.820 0.188 0.000 1.892 442 A HA -0.060 4.260 4.320 0.000 0.000 0.218 442 A C 2.421 180.184 177.584 0.299 0.000 1.188 442 A CA 1.563 53.734 52.037 0.223 0.000 0.631 442 A CB -0.439 18.650 19.000 0.149 0.000 0.822 442 A HN 0.391 nan 8.150 nan 0.000 0.447 443 I N -2.225 118.488 120.570 0.239 0.000 2.226 443 I HA -0.234 3.936 4.170 0.000 0.000 0.245 443 I C 2.333 178.592 176.117 0.237 0.000 1.100 443 I CA 1.554 62.980 61.300 0.209 0.000 1.374 443 I CB -0.321 37.783 38.000 0.173 0.000 1.057 443 I HN 0.438 nan 8.210 nan 0.000 0.413 444 F N 1.033 121.086 119.950 0.172 0.000 2.069 444 F HA -0.323 4.204 4.527 0.000 0.000 0.298 444 F C 2.337 178.248 175.800 0.186 0.000 1.113 444 F CA 1.727 59.829 58.000 0.170 0.000 1.214 444 F CB -0.464 38.627 39.000 0.152 0.000 0.978 444 F HN 0.012 nan 8.300 nan 0.000 0.474 445 F N 0.903 121.015 119.950 0.271 0.000 2.120 445 F HA -0.235 4.292 4.527 0.000 0.000 0.300 445 F C 2.279 178.099 175.800 0.033 0.000 1.095 445 F CA 1.642 59.731 58.000 0.148 0.000 1.249 445 F CB -0.997 38.094 39.000 0.152 0.000 0.995 445 F HN 0.011 nan 8.300 nan 0.000 0.480 446 A N 0.422 123.268 122.820 0.044 0.000 1.908 446 A HA -0.122 4.198 4.320 0.000 0.000 0.218 446 A C 2.530 179.984 177.584 -0.216 0.000 1.181 446 A CA 1.839 53.819 52.037 -0.095 0.000 0.627 446 A CB -1.882 17.147 19.000 0.048 0.000 0.818 446 A HN 0.537 nan 8.150 nan 0.000 0.445 447 G N -1.130 107.556 108.800 -0.191 0.000 2.442 447 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 447 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 447 G C 1.486 175.944 174.900 -0.737 0.000 1.141 447 G CA 1.299 46.200 45.100 -0.332 0.000 0.763 447 G HN 0.349 nan 8.290 nan 0.000 0.554 448 M N 0.159 119.451 119.600 -0.513 0.000 2.175 448 M HA 0.094 4.574 4.480 0.000 0.000 0.264 448 M C 2.639 178.695 176.300 -0.408 0.000 1.063 448 M CA 0.878 55.918 55.300 -0.434 0.000 1.119 448 M CB -0.967 31.456 32.600 -0.295 0.000 1.377 448 M HN 0.226 nan 8.290 nan 0.000 0.415 449 L N -0.961 119.982 121.223 -0.466 0.000 2.046 449 L HA -0.180 4.160 4.340 0.000 0.000 0.208 449 L C 2.463 179.230 176.870 -0.172 0.000 1.077 449 L CA 0.763 55.409 54.840 -0.323 0.000 0.747 449 L CB -1.013 40.844 42.059 -0.337 0.000 0.896 449 L HN 0.038 nan 8.230 nan 0.000 0.432 450 V N -0.316 119.480 119.914 -0.196 0.000 2.332 450 V HA -0.374 3.746 4.120 0.000 0.000 0.248 450 V C 2.465 178.561 176.094 0.004 0.000 1.055 450 V CA 2.165 64.428 62.300 -0.063 0.000 1.038 450 V CB -0.498 31.282 31.823 -0.071 0.000 0.651 450 V HN 0.467 nan 8.190 nan 0.000 0.450 451 M N -0.021 119.468 119.600 -0.186 0.000 2.086 451 M HA -0.178 4.302 4.480 0.000 0.000 0.261 451 M C 2.277 178.569 176.300 -0.013 0.000 1.067 451 M CA 2.290 57.559 55.300 -0.051 0.000 1.116 451 M CB -0.339 32.143 32.600 -0.196 0.000 1.348 451 M HN 0.359 nan 8.290 nan 0.000 0.407 452 A N -0.333 122.453 122.820 -0.057 0.000 1.873 452 A HA -0.289 4.031 4.320 0.000 0.000 0.218 452 A C 1.990 179.623 177.584 0.081 0.000 1.193 452 A CA 2.067 54.092 52.037 -0.020 0.000 0.629 452 A CB -1.535 17.424 19.000 -0.069 0.000 0.826 452 A HN 0.763 nan 8.150 nan 0.000 0.447 453 Y N 0.668 120.972 120.300 0.007 0.000 2.128 453 Y HA -0.268 4.282 4.550 0.000 0.000 0.284 453 Y C 2.346 178.342 175.900 0.160 0.000 1.154 453 Y CA 2.211 60.371 58.100 0.100 0.000 1.149 453 Y CB -0.470 38.027 38.460 0.061 0.000 0.976 453 Y HN 0.508 nan 8.280 nan 0.000 0.505 454 N N -1.138 117.628 118.700 0.110 0.000 2.025 454 N HA -0.222 4.518 4.740 0.000 0.000 0.194 454 N C 1.614 177.109 175.510 -0.025 0.000 1.044 454 N CA 2.174 55.268 53.050 0.073 0.000 0.851 454 N CB -0.197 38.446 38.487 0.260 0.000 1.036 454 N HN 0.373 nan 8.380 nan 0.000 0.422 455 T N -0.271 114.285 114.554 0.002 0.000 2.665 455 T HA -0.216 4.134 4.350 0.000 0.000 0.268 455 T C 1.203 175.809 174.700 -0.157 0.000 1.035 455 T CA 1.554 63.602 62.100 -0.087 0.000 1.151 455 T CB -0.638 68.175 68.868 -0.091 0.000 0.862 455 T HN 0.504 nan 8.240 nan 0.000 0.438 456 W N 2.626 123.761 121.300 -0.275 0.000 2.335 456 W HA -0.133 4.527 4.660 0.000 0.000 0.311 456 W C 2.280 178.582 176.519 -0.363 0.000 1.213 456 W CA 0.926 58.095 57.345 -0.293 0.000 1.274 456 W CB -0.212 29.109 29.460 -0.232 0.000 1.148 456 W HN -0.061 nan 8.180 nan 0.000 0.498 457 R N -0.338 119.813 120.500 -0.580 0.000 2.096 457 R HA -0.144 4.196 4.340 0.000 0.000 0.235 457 R C 2.346 178.224 176.300 -0.703 0.000 1.127 457 R CA 2.043 57.593 56.100 -0.916 0.000 0.968 457 R CB -1.888 27.703 30.300 -1.182 0.000 0.861 457 R HN 0.444 nan 8.270 nan 0.000 0.440 458 T N -1.016 113.277 114.554 -0.435 0.000 2.985 458 T HA -0.011 4.339 4.350 0.000 0.000 0.266 458 T C 1.967 176.437 174.700 -0.383 0.000 1.076 458 T CA 0.936 62.862 62.100 -0.290 0.000 1.135 458 T CB -0.102 68.677 68.868 -0.149 0.000 0.890 458 T HN -0.036 nan 8.240 nan 0.000 0.480 459 V N 1.520 121.115 119.914 -0.533 0.000 2.548 459 V HA -0.123 3.997 4.120 0.000 0.000 0.249 459 V C 2.831 178.703 176.094 -0.371 0.000 1.055 459 V CA 1.722 63.669 62.300 -0.587 0.000 1.065 459 V CB -0.731 30.706 31.823 -0.643 0.000 0.681 459 V HN 0.572 nan 8.190 nan 0.000 0.462 460 Q N -0.057 119.442 119.800 -0.501 0.000 2.061 460 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 460 Q C 2.290 178.149 176.000 -0.235 0.000 0.984 460 Q CA 1.637 57.197 55.803 -0.405 0.000 0.846 460 Q CB -0.523 27.866 28.738 -0.580 0.000 0.902 460 Q HN 0.642 nan 8.270 nan 0.000 0.421 461 A N 1.380 124.062 122.820 -0.230 0.000 2.589 461 A HA -0.286 4.034 4.320 0.000 0.000 0.253 461 A C 1.012 178.557 177.584 -0.065 0.000 2.009 461 A CA 2.124 54.087 52.037 -0.124 0.000 1.041 461 A CB -1.412 17.532 19.000 -0.094 0.000 0.525 461 A HN 0.537 nan 8.150 nan 0.000 0.450 462 A N -2.828 119.984 122.820 -0.013 0.000 2.322 462 A HA 0.702 5.022 4.320 0.000 0.000 0.327 462 A C 0.699 178.311 177.584 0.046 0.000 1.134 462 A CA 0.048 52.095 52.037 0.016 0.000 0.831 462 A CB 1.204 20.223 19.000 0.032 0.000 1.288 462 A HN 0.489 nan 8.150 nan 0.000 0.472 463 K N -0.502 119.922 120.400 0.040 0.000 2.462 463 K HA 0.154 4.474 4.320 0.000 0.000 0.201 463 K C -1.688 174.940 176.600 0.048 0.000 1.268 463 K CA 0.267 56.583 56.287 0.048 0.000 0.933 463 K CB -0.333 32.184 32.500 0.029 0.000 1.162 463 K HN 0.512 nan 8.250 nan 0.000 0.527 464 P HA 0.301 nan 4.420 nan 0.000 0.214 464 P C -0.130 177.206 177.300 0.060 0.000 1.849 464 P CA -0.058 63.068 63.100 0.042 0.000 1.022 464 P CB 0.612 32.333 31.700 0.035 0.000 1.912 465 A N 1.548 124.409 122.820 0.069 0.000 3.071 465 A HA -0.139 4.181 4.320 0.000 0.000 0.173 465 A C 0.736 178.391 177.584 0.119 0.000 0.902 465 A CA 0.544 52.639 52.037 0.097 0.000 1.098 465 A CB -0.923 18.117 19.000 0.067 0.000 0.802 465 A HN 0.468 nan 8.150 nan 0.000 0.562 466 E N -1.999 118.269 120.200 0.114 0.000 2.359 466 E HA -0.234 4.116 4.350 0.000 0.000 0.157 466 E C -1.191 175.486 176.600 0.128 0.000 1.718 466 E CA 1.054 57.511 56.400 0.095 0.000 0.620 466 E CB -1.327 28.387 29.700 0.024 0.000 1.057 466 E HN 0.566 nan 8.360 nan 0.000 0.322 467 Y N 2.177 122.505 120.300 0.048 0.000 2.749 467 Y HA 0.341 4.891 4.550 0.000 0.000 0.343 467 Y C -0.739 175.177 175.900 0.026 0.000 1.015 467 Y CA -0.644 57.475 58.100 0.031 0.000 1.270 467 Y CB 0.860 39.358 38.460 0.063 0.000 1.097 467 Y HN 0.121 nan 8.280 nan 0.000 0.571 468 D N 3.736 123.963 120.400 -0.288 0.000 2.192 468 D HA 0.347 4.987 4.640 0.000 0.000 0.200 468 D C -0.785 175.295 176.300 -0.368 0.000 1.281 468 D CA 0.291 54.126 54.000 -0.275 0.000 0.895 468 D CB 1.039 41.693 40.800 -0.243 0.000 1.643 468 D HN 0.593 nan 8.370 nan 0.000 0.510 469 A N 2.131 124.731 122.820 -0.368 0.000 2.759 469 A HA 0.832 5.152 4.320 0.000 0.000 0.214 469 A C 1.123 178.422 177.584 -0.476 0.000 2.342 469 A CA 0.865 52.658 52.037 -0.405 0.000 1.364 469 A CB -0.930 17.879 19.000 -0.319 0.000 1.221 469 A HN 0.589 nan 8.150 nan 0.000 0.468 470 A N 0.000 122.634 122.820 -0.310 0.000 2.254 470 A HA 0.000 4.320 4.320 0.000 0.000 0.244 470 A CA 0.000 51.886 52.037 -0.251 0.000 0.836 470 A CB 0.000 18.916 19.000 -0.141 0.000 0.831 470 A HN 0.000 nan 8.150 nan 0.000 0.486