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 1ecb_1_D DATA FIRST_RESID 1 DATA SEQUENCE CGIVGIAGVM PVNQSIYDAL TVLQHRGQDA AGIITIDANN CFRLRKANGL DATA SEQUENCE VSDVFEARHM QRLQGNMGIG HVRYPTAGSS SASEAQPFYV NSPYGITLAH DATA SEQUENCE NGNLTNAHEL RKKLFEEKRR HINTTSDSEI LLNIFASELD NFRHYPLEAD DATA SEQUENCE NIFAAIAATN RLIRGAYACV AMIIGHGMVA FRDPNGIRPL VLGKRDIDEN DATA SEQUENCE RTEYMVASES VALDTLGFDF LRDVAPGEAI YITEEGQLFT RQCADNPVSN DATA SEQUENCE PCLFEYVYFA RPDSFIDKIS VYSARVNMGT KLGEKIAREW EDLDIDVVIP DATA SEQUENCE IPETSCDIAL EIARILGKPY RQGFVKNRYV GRTFIMXXXX XXXXSVRRKL DATA SEQUENCE NANRAEFRDK NVLLVDDSIV RGTTSEQIIE MAREAGAKKV YLASAAPEIR DATA SEQUENCE FPNVYGIDMP SATELIAHGR EVDEIRQIIG ADGLIFQDLN DLIDAVRAEN DATA SEQUENCE PDIQQFECSV FNGVYVTKDV DQGYLDFLDT L 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.966 174.990 -0.040 0.000 1.270 1 C CA 0.000 59.018 59.018 -0.000 0.000 1.963 1 C CB 0.000 27.768 27.740 0.046 0.000 2.134 2 G N 0.338 109.020 108.800 -0.198 0.000 2.682 2 G HA2 0.842 4.802 3.960 -0.000 0.000 0.300 2 G HA3 0.842 4.802 3.960 -0.000 0.000 0.300 2 G C -1.320 173.531 174.900 -0.081 0.000 1.391 2 G CA -0.496 44.532 45.100 -0.120 0.000 0.990 2 G HN 1.243 nan 8.290 nan 0.000 0.501 3 I N -0.891 119.683 120.570 0.006 0.000 2.785 3 I HA 0.907 5.077 4.170 -0.000 0.000 0.302 3 I C -1.338 174.790 176.117 0.017 0.000 1.069 3 I CA -1.378 59.958 61.300 0.060 0.000 1.045 3 I CB 2.306 40.372 38.000 0.109 0.000 1.236 3 I HN 0.536 nan 8.210 nan 0.000 0.429 4 V N 2.852 122.776 119.914 0.016 0.000 3.087 4 V HA 0.988 5.108 4.120 -0.000 0.000 0.306 4 V C -0.698 175.395 176.094 -0.001 0.000 1.187 4 V CA 0.100 62.391 62.300 -0.014 0.000 0.999 4 V CB 2.205 34.001 31.823 -0.045 0.000 1.049 4 V HN 1.227 nan 8.190 nan 0.000 0.431 5 G N 4.781 113.572 108.800 -0.015 0.000 2.766 5 G HA2 0.690 4.650 3.960 -0.000 0.000 0.297 5 G HA3 0.690 4.650 3.960 -0.000 0.000 0.297 5 G C -1.840 173.053 174.900 -0.012 0.000 1.431 5 G CA -0.469 44.639 45.100 0.013 0.000 1.042 5 G HN 0.801 nan 8.290 nan 0.000 0.542 6 I N 0.971 121.547 120.570 0.008 0.000 2.582 6 I HA 0.621 4.791 4.170 -0.000 0.000 0.292 6 I C 0.012 176.184 176.117 0.092 0.000 1.066 6 I CA -1.181 60.123 61.300 0.007 0.000 1.053 6 I CB 2.540 40.517 38.000 -0.038 0.000 1.241 6 I HN 0.623 nan 8.210 nan 0.000 0.421 7 A N 4.548 127.459 122.820 0.151 0.000 2.328 7 A HA 0.842 5.162 4.320 -0.000 0.000 0.318 7 A C -0.055 177.647 177.584 0.197 0.000 1.347 7 A CA -0.329 51.809 52.037 0.167 0.000 0.842 7 A CB 0.626 19.730 19.000 0.174 0.000 1.148 7 A HN 0.904 nan 8.150 nan 0.000 0.499 8 G N -0.448 108.443 108.800 0.152 0.000 3.105 8 G HA2 0.503 4.463 3.960 -0.000 0.000 0.277 8 G HA3 0.503 4.463 3.960 -0.000 0.000 0.277 8 G C 0.004 174.957 174.900 0.089 0.000 1.375 8 G CA -0.053 45.129 45.100 0.137 0.000 0.962 8 G HN 0.734 nan 8.290 nan 0.000 0.541 9 V N -0.565 119.387 119.914 0.064 0.000 3.578 9 V HA 0.334 4.454 4.120 -0.000 0.000 0.290 9 V C 0.514 176.630 176.094 0.036 0.000 1.376 9 V CA 0.444 62.768 62.300 0.039 0.000 1.083 9 V CB -1.497 30.336 31.823 0.016 0.000 0.911 9 V HN 0.598 nan 8.190 nan 0.000 0.433 10 M N -1.666 117.963 119.600 0.048 0.000 2.569 10 M HA 0.635 5.115 4.480 -0.000 0.000 0.279 10 M C -3.186 173.145 176.300 0.052 0.000 1.253 10 M CA -2.009 53.316 55.300 0.041 0.000 0.867 10 M CB 1.540 34.159 32.600 0.032 0.000 1.727 10 M HN -0.291 nan 8.290 nan 0.000 0.467 11 P HA -0.098 nan 4.420 nan 0.000 0.257 11 P C 0.827 178.154 177.300 0.047 0.000 1.153 11 P CA 0.142 63.266 63.100 0.040 0.000 0.762 11 P CB 0.243 31.959 31.700 0.027 0.000 0.743 12 V N 1.204 121.147 119.914 0.049 0.000 3.590 12 V HA -0.054 4.066 4.120 -0.000 0.000 0.265 12 V C 1.841 177.949 176.094 0.025 0.000 1.239 12 V CA 0.940 63.269 62.300 0.047 0.000 1.117 12 V CB -1.034 30.821 31.823 0.054 0.000 0.818 12 V HN 0.415 nan 8.190 nan 0.000 0.451 13 N N 2.394 121.102 118.700 0.014 0.000 2.036 13 N HA -0.371 4.369 4.740 -0.000 0.000 0.199 13 N C 1.772 177.268 175.510 -0.024 0.000 1.036 13 N CA 2.695 55.737 53.050 -0.013 0.000 0.870 13 N CB -0.903 37.578 38.487 -0.010 0.000 1.055 13 N HN 0.603 nan 8.380 nan 0.000 0.436 14 Q N 0.244 120.031 119.800 -0.021 0.000 2.079 14 Q HA 0.075 4.415 4.340 -0.000 0.000 0.200 14 Q C 2.094 178.129 176.000 0.059 0.000 0.974 14 Q CA 1.792 57.583 55.803 -0.020 0.000 0.840 14 Q CB -0.417 28.301 28.738 -0.033 0.000 0.898 14 Q HN 0.476 nan 8.270 nan 0.000 0.430 15 S N -0.023 115.707 115.700 0.049 0.000 2.359 15 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 15 S C 1.822 176.439 174.600 0.029 0.000 1.035 15 S CA 1.413 59.647 58.200 0.056 0.000 1.018 15 S CB -0.362 62.878 63.200 0.067 0.000 0.876 15 S HN 0.419 nan 8.310 nan 0.000 0.448 16 I N 0.075 120.648 120.570 0.004 0.000 2.226 16 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 16 I C 2.284 178.377 176.117 -0.041 0.000 1.100 16 I CA 1.413 62.691 61.300 -0.036 0.000 1.374 16 I CB -0.398 37.567 38.000 -0.058 0.000 1.057 16 I HN 0.312 nan 8.210 nan 0.000 0.413 17 Y N 2.097 122.295 120.300 -0.171 0.000 2.181 17 Y HA -0.298 4.252 4.550 -0.000 0.000 0.288 17 Y C 2.111 177.962 175.900 -0.082 0.000 1.146 17 Y CA 1.811 59.796 58.100 -0.191 0.000 1.164 17 Y CB -0.306 38.034 38.460 -0.199 0.000 0.982 17 Y HN 0.187 nan 8.280 nan 0.000 0.515 18 D N 0.109 120.630 120.400 0.201 0.000 2.123 18 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 18 D C 2.316 178.618 176.300 0.002 0.000 0.976 18 D CA 1.396 55.468 54.000 0.119 0.000 0.831 18 D CB -0.625 40.260 40.800 0.142 0.000 0.974 18 D HN 0.472 nan 8.370 nan 0.000 0.469 19 A N 0.888 123.699 122.820 -0.015 0.000 1.877 19 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 19 A C 2.349 179.890 177.584 -0.072 0.000 1.186 19 A CA 0.946 52.958 52.037 -0.042 0.000 0.620 19 A CB -0.851 18.110 19.000 -0.064 0.000 0.822 19 A HN 0.210 nan 8.150 nan 0.000 0.443 20 L N 0.179 121.336 121.223 -0.111 0.000 2.191 20 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 20 L C 2.882 179.659 176.870 -0.154 0.000 1.103 20 L CA 1.678 56.435 54.840 -0.138 0.000 0.769 20 L CB -0.950 41.013 42.059 -0.161 0.000 0.908 20 L HN 0.661 nan 8.230 nan 0.000 0.438 21 T N -2.199 112.247 114.554 -0.181 0.000 2.821 21 T HA -0.120 4.229 4.350 -0.000 0.000 0.267 21 T C 1.630 176.292 174.700 -0.064 0.000 1.046 21 T CA 1.233 63.241 62.100 -0.154 0.000 1.139 21 T CB -0.841 67.925 68.868 -0.171 0.000 0.871 21 T HN 0.301 nan 8.240 nan 0.000 0.454 22 V N -0.920 118.974 119.914 -0.034 0.000 3.510 22 V HA 0.366 4.486 4.120 -0.000 0.000 0.270 22 V C 1.727 177.859 176.094 0.064 0.000 1.201 22 V CA 0.654 62.964 62.300 0.018 0.000 1.166 22 V CB -1.138 30.697 31.823 0.019 0.000 0.825 22 V HN 0.462 nan 8.190 nan 0.000 0.484 23 L N -0.556 120.640 121.223 -0.044 0.000 2.808 23 L HA 0.285 4.625 4.340 -0.000 0.000 0.246 23 L C 2.149 178.808 176.870 -0.350 0.000 1.153 23 L CA 0.145 54.855 54.840 -0.217 0.000 0.956 23 L CB 0.133 42.079 42.059 -0.189 0.000 1.270 23 L HN 0.297 nan 8.230 nan 0.000 0.528 24 Q N 0.917 120.626 119.800 -0.152 0.000 2.234 24 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 24 Q C 2.205 178.125 176.000 -0.133 0.000 0.980 24 Q CA 1.876 57.602 55.803 -0.127 0.000 0.869 24 Q CB -0.103 28.596 28.738 -0.065 0.000 0.912 24 Q HN 0.656 nan 8.270 nan 0.000 0.436 25 H N -1.362 117.621 119.070 -0.145 0.000 2.518 25 H HA -0.001 4.555 4.556 0.000 0.000 0.289 25 H C 1.185 176.345 175.328 -0.279 0.000 1.051 25 H CA 1.079 57.009 56.048 -0.198 0.000 1.280 25 H CB -0.072 29.534 29.762 -0.260 0.000 1.380 25 H HN 0.297 nan 8.280 nan 0.000 0.566 26 R N 0.715 120.830 120.500 -0.641 0.000 2.240 26 R HA 0.162 4.502 4.340 -0.000 0.000 0.203 26 R C 0.313 176.611 176.300 -0.005 0.000 1.011 26 R CA 0.681 56.498 56.100 -0.472 0.000 1.007 26 R CB 0.676 30.751 30.300 -0.375 0.000 0.911 26 R HN 0.414 nan 8.270 nan 0.000 0.468 27 G N 0.516 109.327 108.800 0.017 0.000 2.378 27 G HA2 0.151 4.111 3.960 -0.000 0.000 0.306 27 G HA3 0.151 4.111 3.960 -0.000 0.000 0.306 27 G C -0.829 174.077 174.900 0.011 0.000 1.413 27 G CA -0.637 44.549 45.100 0.143 0.000 1.123 27 G HN -0.046 nan 8.290 nan 0.000 0.587 28 Q N 0.964 120.766 119.800 0.002 0.000 2.198 28 Q HA 0.218 4.558 4.340 -0.000 0.000 0.209 28 Q C 1.124 177.091 176.000 -0.055 0.000 0.848 28 Q CA 0.014 55.797 55.803 -0.033 0.000 0.974 28 Q CB 1.231 29.954 28.738 -0.024 0.000 1.115 28 Q HN 0.648 nan 8.270 nan 0.000 0.494 29 D N 0.220 120.581 120.400 -0.065 0.000 2.240 29 D HA 0.254 4.894 4.640 -0.000 0.000 0.206 29 D C -0.011 176.256 176.300 -0.054 0.000 0.963 29 D CA 0.642 54.599 54.000 -0.072 0.000 0.863 29 D CB 0.509 41.255 40.800 -0.091 0.000 0.973 29 D HN 0.222 nan 8.370 nan 0.000 0.501 30 A N -0.835 121.960 122.820 -0.041 0.000 2.599 30 A HA 0.818 5.138 4.320 -0.000 0.000 0.290 30 A C -1.654 175.917 177.584 -0.021 0.000 1.101 30 A CA -0.193 51.821 52.037 -0.038 0.000 0.674 30 A CB 1.294 20.283 19.000 -0.019 0.000 1.277 30 A HN 0.276 nan 8.150 nan 0.000 0.419 31 A N -0.837 121.976 122.820 -0.010 0.000 2.604 31 A HA 0.938 5.258 4.320 -0.000 0.000 0.295 31 A C -0.322 177.350 177.584 0.146 0.000 1.067 31 A CA 0.052 52.141 52.037 0.086 0.000 0.683 31 A CB 1.269 20.360 19.000 0.153 0.000 1.281 31 A HN 2.565 nan 8.150 nan 0.000 0.407 32 G N -0.317 108.656 108.800 0.288 0.000 2.698 32 G HA2 0.663 4.623 3.960 -0.000 0.000 0.293 32 G HA3 0.663 4.623 3.960 -0.000 0.000 0.293 32 G C -1.589 173.473 174.900 0.270 0.000 1.437 32 G CA -0.459 44.822 45.100 0.302 0.000 0.852 32 G HN 0.869 nan 8.290 nan 0.000 0.499 33 I N 0.665 121.367 120.570 0.220 0.000 2.722 33 I HA 0.548 4.718 4.170 -0.000 0.000 0.295 33 I C -1.174 174.976 176.117 0.056 0.000 1.161 33 I CA -0.804 60.525 61.300 0.048 0.000 1.032 33 I CB 2.616 40.533 38.000 -0.139 0.000 1.244 33 I HN 0.482 nan 8.210 nan 0.000 0.421 34 I N 4.441 125.027 120.570 0.026 0.000 2.619 34 I HA 0.599 4.769 4.170 -0.000 0.000 0.292 34 I C -0.582 175.586 176.117 0.086 0.000 1.100 34 I CA 0.106 61.422 61.300 0.028 0.000 1.043 34 I CB 2.289 40.237 38.000 -0.086 0.000 1.239 34 I HN 0.790 nan 8.210 nan 0.000 0.420 35 T N 4.424 119.070 114.554 0.152 0.000 2.907 35 T HA 0.650 5.000 4.350 -0.000 0.000 0.290 35 T C -0.600 174.265 174.700 0.275 0.000 1.066 35 T CA -0.765 61.441 62.100 0.176 0.000 1.012 35 T CB 1.789 70.725 68.868 0.114 0.000 1.184 35 T HN 0.381 nan 8.240 nan 0.000 0.522 36 I N 2.613 123.308 120.570 0.209 0.000 2.382 36 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 36 I C -0.186 175.974 176.117 0.071 0.000 1.002 36 I CA -0.890 60.493 61.300 0.137 0.000 1.135 36 I CB 1.453 39.515 38.000 0.103 0.000 1.288 36 I HN 0.833 nan 8.210 nan 0.000 0.448 37 D N 5.569 125.994 120.400 0.041 0.000 2.380 37 D HA 0.140 4.780 4.640 -0.000 0.000 0.254 37 D C 1.189 177.497 176.300 0.015 0.000 1.288 37 D CA -0.428 53.591 54.000 0.031 0.000 1.008 37 D CB 0.786 41.602 40.800 0.027 0.000 1.099 37 D HN 0.476 nan 8.370 nan 0.000 0.537 38 A N -0.472 122.357 122.820 0.015 0.000 2.121 38 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 38 A C 1.292 178.877 177.584 0.001 0.000 1.154 38 A CA 0.693 52.736 52.037 0.010 0.000 0.679 38 A CB -0.630 18.378 19.000 0.012 0.000 0.795 38 A HN 0.546 nan 8.150 nan 0.000 0.458 39 N N 0.647 119.344 118.700 -0.005 0.000 2.268 39 N HA 0.010 4.749 4.740 -0.000 0.000 0.204 39 N C -0.494 174.999 175.510 -0.028 0.000 1.124 39 N CA -0.021 53.022 53.050 -0.012 0.000 0.838 39 N CB -0.043 38.439 38.487 -0.008 0.000 0.994 39 N HN 0.361 nan 8.380 nan 0.000 0.489 40 N N 0.528 119.204 118.700 -0.039 0.000 2.746 40 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 40 N C -1.169 174.255 175.510 -0.144 0.000 1.055 40 N CA 0.576 53.580 53.050 -0.078 0.000 0.699 40 N CB -1.509 36.946 38.487 -0.052 0.000 0.919 40 N HN 0.264 nan 8.380 nan 0.000 0.548 41 C N 0.526 119.737 119.300 -0.149 0.000 2.712 41 C HA 0.589 5.048 4.460 -0.000 0.000 0.308 41 C C 0.351 175.247 174.990 -0.157 0.000 1.201 41 C CA -0.869 58.042 59.018 -0.178 0.000 1.554 41 C CB 1.131 28.834 27.740 -0.062 0.000 2.117 41 C HN 0.261 nan 8.230 nan 0.000 0.480 42 F N 2.468 122.406 119.950 -0.020 0.000 2.389 42 F HA 0.525 5.052 4.527 -0.000 0.000 0.337 42 F C 0.962 176.732 175.800 -0.050 0.000 1.112 42 F CA -0.001 57.971 58.000 -0.046 0.000 1.192 42 F CB 0.570 39.481 39.000 -0.148 0.000 1.185 42 F HN 0.219 nan 8.300 nan 0.000 0.552 43 R N 3.308 123.935 120.500 0.213 0.000 2.435 43 R HA 0.487 4.827 4.340 -0.000 0.000 0.308 43 R C -1.570 174.790 176.300 0.100 0.000 0.975 43 R CA -0.871 55.299 56.100 0.118 0.000 0.867 43 R CB 1.564 31.926 30.300 0.103 0.000 1.171 43 R HN 0.549 nan 8.270 nan 0.000 0.470 44 L N 2.304 123.564 121.223 0.062 0.000 2.342 44 L HA 0.710 5.050 4.340 -0.000 0.000 0.271 44 L C -0.860 176.046 176.870 0.060 0.000 1.008 44 L CA -0.616 54.248 54.840 0.039 0.000 0.818 44 L CB 1.711 43.754 42.059 -0.027 0.000 1.296 44 L HN 0.602 nan 8.230 nan 0.000 0.427 45 R N 3.623 124.180 120.500 0.094 0.000 2.510 45 R HA 0.679 5.019 4.340 -0.000 0.000 0.287 45 R C -1.913 174.424 176.300 0.062 0.000 1.084 45 R CA -0.562 55.571 56.100 0.055 0.000 0.934 45 R CB 1.086 31.465 30.300 0.132 0.000 1.201 45 R HN 0.746 nan 8.270 nan 0.000 0.431 46 K N 2.910 123.255 120.400 -0.091 0.000 2.542 46 K HA 0.881 5.201 4.320 -0.000 0.000 0.259 46 K C -2.008 174.484 176.600 -0.181 0.000 0.932 46 K CA -0.607 55.615 56.287 -0.107 0.000 0.820 46 K CB 2.195 34.652 32.500 -0.071 0.000 1.345 46 K HN 0.674 nan 8.250 nan 0.000 0.432 47 A N 2.182 124.881 122.820 -0.203 0.000 2.515 47 A HA 0.409 4.729 4.320 -0.000 0.000 0.292 47 A C -1.768 175.729 177.584 -0.146 0.000 1.065 47 A CA -1.018 50.913 52.037 -0.177 0.000 0.641 47 A CB 1.007 19.875 19.000 -0.221 0.000 1.306 47 A HN 0.795 nan 8.150 nan 0.000 0.441 48 N N -0.303 118.332 118.700 -0.110 0.000 2.518 48 N HA 0.537 5.277 4.740 -0.000 0.000 0.266 48 N C 0.260 175.712 175.510 -0.097 0.000 1.196 48 N CA 1.864 54.863 53.050 -0.085 0.000 0.947 48 N CB 1.040 39.488 38.487 -0.065 0.000 1.098 48 N HN 1.752 nan 8.380 nan 0.000 0.450 49 G N -0.008 108.743 108.800 -0.082 0.000 2.381 49 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.672 49 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.672 49 G C -1.009 173.849 174.900 -0.070 0.000 1.324 49 G CA -1.050 44.005 45.100 -0.075 0.000 0.975 49 G HN 0.459 nan 8.290 nan 0.000 0.593 50 L N 0.217 121.411 121.223 -0.047 0.000 2.473 50 L HA 0.237 4.577 4.340 -0.000 0.000 0.268 50 L C 2.308 179.165 176.870 -0.022 0.000 1.215 50 L CA -0.561 54.261 54.840 -0.032 0.000 0.823 50 L CB 0.633 42.684 42.059 -0.014 0.000 1.099 50 L HN 0.488 nan 8.230 nan 0.000 0.483 51 V N 0.404 120.317 119.914 -0.000 0.000 2.324 51 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 51 V C 2.279 178.460 176.094 0.145 0.000 1.060 51 V CA 2.302 64.651 62.300 0.081 0.000 1.042 51 V CB -0.718 31.038 31.823 -0.112 0.000 0.650 51 V HN 1.042 nan 8.190 nan 0.000 0.450 52 S N -0.364 115.384 115.700 0.081 0.000 2.442 52 S HA -0.182 4.288 4.470 -0.000 0.000 0.236 52 S C 1.440 176.138 174.600 0.163 0.000 1.007 52 S CA 1.420 59.731 58.200 0.186 0.000 0.965 52 S CB -0.314 62.968 63.200 0.136 0.000 0.773 52 S HN 0.656 nan 8.310 nan 0.000 0.504 53 D N 1.183 121.626 120.400 0.070 0.000 2.259 53 D HA 0.136 4.776 4.640 -0.000 0.000 0.216 53 D C 2.115 178.388 176.300 -0.044 0.000 0.961 53 D CA 0.510 54.526 54.000 0.026 0.000 0.878 53 D CB -0.359 40.436 40.800 -0.008 0.000 1.009 53 D HN 0.287 nan 8.370 nan 0.000 0.490 54 V N 0.801 120.599 119.914 -0.193 0.000 2.407 54 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 54 V C 0.569 176.246 176.094 -0.695 0.000 1.055 54 V CA 1.154 63.114 62.300 -0.566 0.000 1.049 54 V CB -0.460 30.807 31.823 -0.927 0.000 0.662 54 V HN 0.030 nan 8.190 nan 0.000 0.455 55 F N 0.547 120.609 119.950 0.187 0.000 2.308 55 F HA 0.494 5.021 4.527 0.000 0.000 0.370 55 F C 0.421 176.408 175.800 0.312 0.000 1.100 55 F CA -0.845 57.338 58.000 0.304 0.000 1.108 55 F CB 0.195 39.408 39.000 0.355 0.000 1.293 55 F HN 0.064 nan 8.300 nan 0.000 0.478 56 E N 0.855 121.370 120.200 0.526 0.000 2.283 56 E HA 0.531 4.881 4.350 -0.000 0.000 0.267 56 E C 0.863 177.492 176.600 0.048 0.000 1.045 56 E CA -0.446 56.053 56.400 0.165 0.000 0.884 56 E CB 1.394 31.085 29.700 -0.015 0.000 1.106 56 E HN 0.621 nan 8.360 nan 0.000 0.408 57 A N 2.390 125.197 122.820 -0.021 0.000 1.948 57 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 57 A C 1.986 179.529 177.584 -0.069 0.000 1.177 57 A CA 2.115 54.129 52.037 -0.038 0.000 0.636 57 A CB -0.729 18.246 19.000 -0.042 0.000 0.815 57 A HN 0.750 nan 8.150 nan 0.000 0.449 58 R N -0.942 119.453 120.500 -0.174 0.000 2.159 58 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 58 R C 1.761 177.992 176.300 -0.115 0.000 1.131 58 R CA 1.914 57.908 56.100 -0.176 0.000 0.982 58 R CB -0.877 29.276 30.300 -0.245 0.000 0.868 58 R HN 0.724 nan 8.270 nan 0.000 0.453 59 H N 0.193 119.308 119.070 0.075 0.000 2.343 59 H HA 0.125 4.681 4.556 -0.000 0.000 0.303 59 H C 2.243 177.637 175.328 0.110 0.000 1.068 59 H CA 1.183 57.298 56.048 0.112 0.000 1.359 59 H CB 0.027 29.900 29.762 0.186 0.000 1.402 59 H HN -0.010 nan 8.280 nan 0.000 0.515 60 M N 0.768 120.499 119.600 0.218 0.000 2.144 60 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 60 M C 2.110 178.447 176.300 0.060 0.000 1.067 60 M CA 1.307 56.669 55.300 0.104 0.000 1.095 60 M CB -0.612 31.999 32.600 0.019 0.000 1.365 60 M HN 0.373 nan 8.290 nan 0.000 0.406 61 Q N 0.897 120.724 119.800 0.045 0.000 2.224 61 Q HA -0.155 4.185 4.340 -0.000 0.000 0.203 61 Q C 1.935 177.961 176.000 0.044 0.000 0.970 61 Q CA 1.378 57.197 55.803 0.027 0.000 0.865 61 Q CB -0.123 28.620 28.738 0.008 0.000 0.922 61 Q HN 0.700 nan 8.270 nan 0.000 0.445 62 R N -0.760 119.784 120.500 0.073 0.000 2.276 62 R HA 0.094 4.434 4.340 -0.000 0.000 0.196 62 R C 0.766 177.115 176.300 0.081 0.000 0.961 62 R CA 0.153 56.300 56.100 0.077 0.000 1.024 62 R CB -0.224 30.133 30.300 0.095 0.000 0.940 62 R HN 0.052 nan 8.270 nan 0.000 0.480 63 L N 3.043 124.318 121.223 0.086 0.000 2.437 63 L HA 0.205 4.545 4.340 -0.000 0.000 0.243 63 L C -0.382 176.523 176.870 0.057 0.000 1.346 63 L CA -0.280 54.606 54.840 0.077 0.000 1.233 63 L CB -0.013 42.090 42.059 0.072 0.000 1.436 63 L HN 0.214 nan 8.230 nan 0.000 0.416 64 Q N 0.940 120.773 119.800 0.055 0.000 2.312 64 Q HA 0.738 5.078 4.340 -0.000 0.000 0.236 64 Q C 0.473 176.506 176.000 0.054 0.000 0.965 64 Q CA 0.224 56.055 55.803 0.046 0.000 0.894 64 Q CB 1.798 30.558 28.738 0.037 0.000 1.225 64 Q HN 0.517 nan 8.270 nan 0.000 0.478 65 G N 0.909 109.738 108.800 0.049 0.000 2.375 65 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.663 65 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.663 65 G C -0.847 174.088 174.900 0.059 0.000 1.391 65 G CA -0.936 44.199 45.100 0.057 0.000 0.949 65 G HN 0.534 nan 8.290 nan 0.000 0.646 66 N N -0.316 118.422 118.700 0.063 0.000 2.214 66 N HA 0.297 5.037 4.740 -0.000 0.000 0.214 66 N C 0.336 175.896 175.510 0.084 0.000 1.132 66 N CA 0.419 53.510 53.050 0.068 0.000 0.856 66 N CB 0.650 39.172 38.487 0.059 0.000 1.020 66 N HN 0.704 nan 8.380 nan 0.000 0.509 67 M N -0.294 119.362 119.600 0.093 0.000 2.371 67 M HA 0.588 5.068 4.480 -0.000 0.000 0.287 67 M C -1.557 174.815 176.300 0.119 0.000 1.149 67 M CA -0.509 54.857 55.300 0.109 0.000 0.929 67 M CB 1.991 34.664 32.600 0.122 0.000 1.683 67 M HN 0.078 nan 8.290 nan 0.000 0.470 68 G N 4.117 112.980 108.800 0.106 0.000 2.576 68 G HA2 0.660 4.620 3.960 -0.000 0.000 0.290 68 G HA3 0.660 4.620 3.960 -0.000 0.000 0.290 68 G C -2.036 172.907 174.900 0.072 0.000 1.442 68 G CA -0.784 44.375 45.100 0.099 0.000 0.792 68 G HN 1.087 nan 8.290 nan 0.000 0.491 69 I N -1.911 118.693 120.570 0.057 0.000 2.934 69 I HA 0.979 5.149 4.170 -0.000 0.000 0.306 69 I C -0.067 176.066 176.117 0.027 0.000 1.110 69 I CA -1.247 60.078 61.300 0.042 0.000 1.019 69 I CB 2.367 40.401 38.000 0.056 0.000 1.227 69 I HN 0.965 nan 8.210 nan 0.000 0.434 70 G N 2.203 111.021 108.800 0.031 0.000 2.660 70 G HA2 0.562 4.521 3.960 -0.000 0.000 0.294 70 G HA3 0.562 4.521 3.960 -0.000 0.000 0.294 70 G C -2.136 172.832 174.900 0.113 0.000 1.369 70 G CA -0.443 44.681 45.100 0.040 0.000 0.912 70 G HN 0.976 nan 8.290 nan 0.000 0.479 71 H N -0.635 118.435 119.070 -0.001 0.000 2.996 71 H HA 0.553 5.109 4.556 -0.000 0.000 0.368 71 H C -1.506 173.828 175.328 0.011 0.000 1.185 71 H CA -0.556 55.492 56.048 -0.001 0.000 1.160 71 H CB 2.426 32.187 29.762 -0.002 0.000 1.820 71 H HN 0.719 nan 8.280 nan 0.000 0.547 72 V N 2.831 122.436 119.914 -0.515 0.000 2.531 72 V HA 0.587 4.707 4.120 -0.000 0.000 0.301 72 V C -0.121 175.664 176.094 -0.514 0.000 1.034 72 V CA -1.032 61.068 62.300 -0.334 0.000 0.865 72 V CB 1.643 33.344 31.823 -0.203 0.000 0.995 72 V HN 0.680 nan 8.190 nan 0.000 0.424 73 R N 3.079 123.446 120.500 -0.221 0.000 2.428 73 R HA 0.444 4.784 4.340 -0.000 0.000 0.294 73 R C -1.778 174.564 176.300 0.069 0.000 1.000 73 R CA -0.668 55.409 56.100 -0.039 0.000 0.960 73 R CB 1.556 31.926 30.300 0.116 0.000 1.076 73 R HN 0.905 nan 8.270 nan 0.000 0.475 74 Y N 6.106 126.414 120.300 0.015 0.000 2.328 74 Y HA 0.343 4.893 4.550 0.000 0.000 0.337 74 Y C -1.852 174.077 175.900 0.049 0.000 1.008 74 Y CA -2.158 55.977 58.100 0.057 0.000 1.129 74 Y CB 1.063 39.606 38.460 0.139 0.000 1.185 74 Y HN 0.527 nan 8.280 nan 0.000 0.476 75 P HA 0.041 nan 4.420 nan 0.000 0.270 75 P C -1.049 176.199 177.300 -0.087 0.000 1.227 75 P CA -0.076 62.921 63.100 -0.171 0.000 0.788 75 P CB 0.668 32.224 31.700 -0.240 0.000 0.926 76 T N -2.416 112.119 114.554 -0.032 0.000 2.791 76 T HA 0.546 4.896 4.350 -0.000 0.000 0.288 76 T C 0.414 175.092 174.700 -0.037 0.000 0.999 76 T CA -0.862 61.236 62.100 -0.002 0.000 0.952 76 T CB 0.832 69.705 68.868 0.007 0.000 0.938 76 T HN 0.463 nan 8.240 nan 0.000 0.444 77 A N 2.657 125.455 122.820 -0.037 0.000 2.898 77 A HA 0.553 4.873 4.320 -0.000 0.000 0.288 77 A C 1.556 179.111 177.584 -0.049 0.000 1.771 77 A CA 0.373 52.382 52.037 -0.046 0.000 1.383 77 A CB -1.499 17.480 19.000 -0.036 0.000 1.028 77 A HN 1.690 nan 8.150 nan 0.000 0.595 78 G N 0.013 108.783 108.800 -0.050 0.000 4.025 78 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.195 78 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.195 78 G C 0.438 175.308 174.900 -0.050 0.000 1.546 78 G CA 0.060 45.129 45.100 -0.052 0.000 1.007 78 G HN 0.748 nan 8.290 nan 0.000 0.388 79 S N 2.222 117.890 115.700 -0.052 0.000 3.072 79 S HA 0.541 5.011 4.470 -0.000 0.000 0.306 79 S C 0.642 175.227 174.600 -0.026 0.000 1.207 79 S CA 0.737 58.911 58.200 -0.044 0.000 1.008 79 S CB 0.647 63.815 63.200 -0.053 0.000 1.390 79 S HN 1.137 nan 8.310 nan 0.000 0.523 80 S N 2.894 118.579 115.700 -0.025 0.000 4.620 80 S HA -0.161 4.309 4.470 -0.000 0.000 0.552 80 S C 0.691 175.284 174.600 -0.012 0.000 0.994 80 S CA 0.144 58.333 58.200 -0.018 0.000 0.991 80 S CB -0.061 63.132 63.200 -0.011 0.000 1.522 80 S HN 0.669 nan 8.310 nan 0.000 0.402 81 S N 4.323 120.009 115.700 -0.024 0.000 2.945 81 S HA 0.513 4.983 4.470 -0.000 0.000 0.227 81 S C 0.878 175.463 174.600 -0.025 0.000 1.353 81 S CA 0.056 58.240 58.200 -0.027 0.000 1.236 81 S CB 0.395 63.563 63.200 -0.054 0.000 1.069 81 S HN 0.887 nan 8.310 nan 0.000 0.509 82 A N 0.699 123.511 122.820 -0.013 0.000 2.736 82 A HA 0.337 4.657 4.320 -0.000 0.000 0.222 82 A C 0.828 178.413 177.584 0.002 0.000 1.267 82 A CA -0.288 51.741 52.037 -0.013 0.000 1.026 82 A CB -0.031 18.960 19.000 -0.015 0.000 1.281 82 A HN 0.495 nan 8.150 nan 0.000 0.577 83 S N 0.064 115.774 115.700 0.016 0.000 2.624 83 S HA 0.407 4.877 4.470 -0.000 0.000 0.263 83 S C 0.167 174.796 174.600 0.049 0.000 1.287 83 S CA -0.374 57.850 58.200 0.041 0.000 0.990 83 S CB 0.563 63.796 63.200 0.055 0.000 0.950 83 S HN 0.423 nan 8.310 nan 0.000 0.561 84 E N 0.415 120.666 120.200 0.084 0.000 2.529 84 E HA 0.268 4.618 4.350 -0.000 0.000 0.259 84 E C 0.342 176.929 176.600 -0.022 0.000 0.966 84 E CA -0.217 56.216 56.400 0.056 0.000 0.937 84 E CB 0.256 30.051 29.700 0.159 0.000 0.923 84 E HN 0.738 nan 8.360 nan 0.000 0.468 85 A N 4.494 127.224 122.820 -0.150 0.000 2.259 85 A HA 0.233 4.553 4.320 -0.000 0.000 0.278 85 A C -0.088 177.159 177.584 -0.560 0.000 1.107 85 A CA -0.351 51.562 52.037 -0.206 0.000 0.828 85 A CB 0.684 19.618 19.000 -0.111 0.000 1.111 85 A HN 0.763 nan 8.150 nan 0.000 0.498 86 Q N 0.285 119.835 119.800 -0.417 0.000 2.193 86 Q HA 0.396 4.736 4.340 -0.000 0.000 0.246 86 Q C -2.308 173.531 176.000 -0.269 0.000 0.959 86 Q CA -1.868 53.581 55.803 -0.590 0.000 0.904 86 Q CB 1.080 29.421 28.738 -0.662 0.000 1.238 86 Q HN 0.556 nan 8.270 nan 0.000 0.469 87 P HA 0.097 nan 4.420 nan 0.000 0.272 87 P C -1.074 176.030 177.300 -0.326 0.000 1.240 87 P CA 0.111 63.065 63.100 -0.245 0.000 0.791 87 P CB 0.527 32.166 31.700 -0.103 0.000 0.978 88 F N 0.355 120.289 119.950 -0.026 0.000 2.483 88 F HA 0.504 5.031 4.527 -0.000 0.000 0.329 88 F C 0.396 176.235 175.800 0.065 0.000 1.064 88 F CA -0.133 57.880 58.000 0.021 0.000 0.986 88 F CB 1.138 40.142 39.000 0.006 0.000 1.218 88 F HN 0.286 nan 8.300 nan 0.000 0.484 89 Y N 1.577 121.986 120.300 0.182 0.000 2.562 89 Y HA 0.706 5.256 4.550 -0.000 0.000 0.345 89 Y C -1.787 174.189 175.900 0.127 0.000 1.045 89 Y CA -1.458 56.685 58.100 0.072 0.000 1.028 89 Y CB 1.743 40.191 38.460 -0.020 0.000 1.297 89 Y HN 0.484 nan 8.280 nan 0.000 0.463 90 V N 2.819 122.238 119.914 -0.826 0.000 2.808 90 V HA 0.372 4.492 4.120 -0.000 0.000 0.308 90 V C -0.145 175.375 176.094 -0.957 0.000 1.099 90 V CA -0.406 61.472 62.300 -0.703 0.000 0.920 90 V CB 1.731 33.402 31.823 -0.255 0.000 1.014 90 V HN 1.016 nan 8.190 nan 0.000 0.425 91 N N 2.438 120.739 118.700 -0.664 0.000 2.459 91 N HA -0.030 4.710 4.740 -0.000 0.000 0.181 91 N C 0.432 175.905 175.510 -0.061 0.000 1.046 91 N CA 1.089 54.006 53.050 -0.222 0.000 0.904 91 N CB 0.351 38.858 38.487 0.034 0.000 0.964 91 N HN 1.135 nan 8.380 nan 0.000 0.444 92 S N -0.197 115.438 115.700 -0.109 0.000 2.546 92 S HA 0.597 5.067 4.470 -0.000 0.000 0.274 92 S C -3.192 171.337 174.600 -0.119 0.000 1.121 92 S CA -1.245 56.893 58.200 -0.104 0.000 0.887 92 S CB 2.602 65.737 63.200 -0.108 0.000 1.094 92 S HN 0.039 nan 8.310 nan 0.000 0.474 93 P HA 0.326 nan 4.420 nan 0.000 0.282 93 P C -0.385 176.830 177.300 -0.141 0.000 1.249 93 P CA 0.025 62.941 63.100 -0.308 0.000 0.806 93 P CB 0.112 31.551 31.700 -0.435 0.000 0.984 94 Y N 0.158 120.510 120.300 0.086 0.000 3.301 94 Y HA -0.280 4.270 4.550 0.000 0.000 0.459 94 Y C 1.174 177.171 175.900 0.161 0.000 1.135 94 Y CA 2.006 60.198 58.100 0.154 0.000 2.611 94 Y CB -2.536 36.072 38.460 0.247 0.000 0.841 94 Y HN 0.941 nan 8.280 nan 0.000 0.522 95 G N 0.240 109.218 108.800 0.298 0.000 3.353 95 G HA2 0.250 4.210 3.960 -0.000 0.000 0.682 95 G HA3 0.250 4.210 3.960 -0.000 0.000 0.682 95 G C -0.921 174.308 174.900 0.549 0.000 1.192 95 G CA -0.499 44.850 45.100 0.416 0.000 1.111 95 G HN 0.513 nan 8.290 nan 0.000 0.493 96 I N 1.041 121.852 120.570 0.402 0.000 2.689 96 I HA 0.833 5.003 4.170 -0.000 0.000 0.299 96 I C 0.194 176.473 176.117 0.271 0.000 1.059 96 I CA -1.016 60.505 61.300 0.369 0.000 1.055 96 I CB 2.807 40.921 38.000 0.190 0.000 1.243 96 I HN 0.468 nan 8.210 nan 0.000 0.425 97 T N 5.506 120.179 114.554 0.199 0.000 2.933 97 T HA 0.758 5.107 4.350 -0.000 0.000 0.305 97 T C -1.682 173.086 174.700 0.113 0.000 1.092 97 T CA -0.453 61.673 62.100 0.043 0.000 1.008 97 T CB 1.504 70.162 68.868 -0.350 0.000 1.102 97 T HN 0.561 nan 8.240 nan 0.000 0.469 98 L N 3.281 124.573 121.223 0.114 0.000 2.466 98 L HA 0.948 5.288 4.340 -0.000 0.000 0.258 98 L C -1.501 175.408 176.870 0.066 0.000 0.973 98 L CA -0.567 54.338 54.840 0.109 0.000 0.826 98 L CB 1.805 43.952 42.059 0.147 0.000 1.372 98 L HN 0.794 nan 8.230 nan 0.000 0.409 99 A N 2.520 125.356 122.820 0.026 0.000 2.374 99 A HA 0.753 5.073 4.320 -0.000 0.000 0.317 99 A C -1.651 175.963 177.584 0.050 0.000 1.094 99 A CA -0.415 51.600 52.037 -0.036 0.000 0.765 99 A CB 1.165 20.167 19.000 0.004 0.000 1.268 99 A HN 0.957 nan 8.150 nan 0.000 0.438 100 H N 1.783 120.797 119.070 -0.093 0.000 2.996 100 H HA 0.445 5.001 4.556 -0.000 0.000 0.368 100 H C -1.856 173.552 175.328 0.133 0.000 1.185 100 H CA -0.514 55.532 56.048 -0.004 0.000 1.160 100 H CB 1.651 31.395 29.762 -0.030 0.000 1.820 100 H HN 0.799 nan 8.280 nan 0.000 0.547 101 N N 3.211 121.803 118.700 -0.181 0.000 2.491 101 N HA 0.501 5.240 4.740 -0.000 0.000 0.274 101 N C -0.686 174.657 175.510 -0.279 0.000 1.023 101 N CA 0.217 53.143 53.050 -0.207 0.000 0.902 101 N CB 1.737 40.223 38.487 -0.002 0.000 1.267 101 N HN 0.974 nan 8.380 nan 0.000 0.503 102 G N 2.090 110.659 108.800 -0.386 0.000 2.356 102 G HA2 0.052 4.012 3.960 -0.000 0.000 0.266 102 G HA3 0.052 4.012 3.960 -0.000 0.000 0.266 102 G C -2.032 172.960 174.900 0.153 0.000 1.312 102 G CA -0.816 44.305 45.100 0.035 0.000 0.922 102 G HN 0.680 nan 8.290 nan 0.000 0.480 103 N N -0.857 118.070 118.700 0.379 0.000 2.452 103 N HA 0.510 5.250 4.740 -0.000 0.000 0.277 103 N C -1.141 174.571 175.510 0.336 0.000 1.078 103 N CA -0.614 52.631 53.050 0.325 0.000 0.947 103 N CB 1.564 40.178 38.487 0.213 0.000 1.655 103 N HN 0.576 nan 8.380 nan 0.000 0.490 104 L N 2.705 124.075 121.223 0.245 0.000 2.260 104 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 104 L C 1.329 178.278 176.870 0.132 0.000 1.057 104 L CA -0.395 54.544 54.840 0.165 0.000 0.811 104 L CB 1.173 43.273 42.059 0.069 0.000 1.184 104 L HN 0.811 nan 8.230 nan 0.000 0.429 105 T N -2.272 112.331 114.554 0.080 0.000 3.113 105 T HA -0.045 4.305 4.350 -0.000 0.000 0.256 105 T C 0.955 175.520 174.700 -0.225 0.000 1.131 105 T CA 0.315 62.345 62.100 -0.118 0.000 1.074 105 T CB -0.302 68.452 68.868 -0.189 0.000 0.944 105 T HN 0.679 nan 8.240 nan 0.000 0.516 106 N N 0.390 119.058 118.700 -0.053 0.000 2.291 106 N HA 0.419 5.159 4.740 -0.000 0.000 0.244 106 N C 1.348 176.894 175.510 0.059 0.000 1.216 106 N CA 0.189 53.222 53.050 -0.028 0.000 0.879 106 N CB 0.063 38.530 38.487 -0.035 0.000 1.167 106 N HN 0.314 nan 8.380 nan 0.000 0.515 107 A N 1.151 124.033 122.820 0.103 0.000 1.873 107 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 107 A C 2.103 179.786 177.584 0.165 0.000 1.193 107 A CA 1.751 53.855 52.037 0.112 0.000 0.629 107 A CB -1.195 17.873 19.000 0.115 0.000 0.826 107 A HN 0.501 nan 8.150 nan 0.000 0.447 108 H N 0.852 120.010 119.070 0.147 0.000 2.321 108 H HA -0.202 4.354 4.556 -0.000 0.000 0.295 108 H C 2.095 177.448 175.328 0.042 0.000 1.102 108 H CA 2.237 58.360 56.048 0.125 0.000 1.266 108 H CB -0.303 29.550 29.762 0.152 0.000 1.363 108 H HN 0.816 nan 8.280 nan 0.000 0.492 109 E N -0.036 120.280 120.200 0.194 0.000 2.107 109 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 109 E C 2.568 179.216 176.600 0.080 0.000 0.982 109 E CA 1.046 57.500 56.400 0.091 0.000 0.809 109 E CB -0.570 29.135 29.700 0.009 0.000 0.756 109 E HN 0.411 nan 8.360 nan 0.000 0.459 110 L N 0.427 121.690 121.223 0.066 0.000 2.093 110 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 110 L C 2.993 179.888 176.870 0.041 0.000 1.085 110 L CA 1.262 56.124 54.840 0.036 0.000 0.755 110 L CB -0.428 41.639 42.059 0.015 0.000 0.904 110 L HN 0.144 nan 8.230 nan 0.000 0.435 111 R N 0.659 121.191 120.500 0.054 0.000 2.081 111 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 111 R C 2.398 178.750 176.300 0.087 0.000 1.131 111 R CA 1.753 57.873 56.100 0.033 0.000 0.960 111 R CB -0.078 30.217 30.300 -0.008 0.000 0.856 111 R HN 0.226 nan 8.270 nan 0.000 0.436 112 K N 0.743 121.217 120.400 0.123 0.000 2.026 112 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 112 K C 1.873 178.550 176.600 0.128 0.000 1.048 112 K CA 1.711 58.089 56.287 0.151 0.000 0.929 112 K CB 0.034 32.616 32.500 0.137 0.000 0.713 112 K HN 0.078 nan 8.250 nan 0.000 0.439 113 K N 0.606 121.050 120.400 0.074 0.000 2.063 113 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 113 K C 2.218 178.837 176.600 0.032 0.000 1.048 113 K CA 1.481 57.789 56.287 0.036 0.000 0.928 113 K CB -0.186 32.322 32.500 0.014 0.000 0.713 113 K HN 0.187 nan 8.250 nan 0.000 0.442 114 L N -0.021 121.231 121.223 0.049 0.000 2.046 114 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 114 L C 2.410 179.332 176.870 0.087 0.000 1.077 114 L CA 1.024 55.889 54.840 0.043 0.000 0.747 114 L CB -0.367 41.711 42.059 0.031 0.000 0.896 114 L HN 0.126 nan 8.230 nan 0.000 0.432 115 F N 1.042 120.984 119.950 -0.013 0.000 2.060 115 F HA -0.184 4.343 4.527 -0.000 0.000 0.295 115 F C 2.445 178.244 175.800 -0.002 0.000 1.120 115 F CA 1.694 59.694 58.000 -0.001 0.000 1.205 115 F CB -0.295 38.710 39.000 0.009 0.000 0.986 115 F HN 0.037 nan 8.300 nan 0.000 0.470 116 E N -0.236 119.870 120.200 -0.157 0.000 2.072 116 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 116 E C 2.076 178.557 176.600 -0.198 0.000 0.985 116 E CA 1.701 57.950 56.400 -0.251 0.000 0.801 116 E CB -0.196 29.462 29.700 -0.070 0.000 0.750 116 E HN 0.548 nan 8.360 nan 0.000 0.452 117 E N 0.156 120.288 120.200 -0.114 0.000 2.086 117 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 117 E C 1.510 178.047 176.600 -0.104 0.000 0.975 117 E CA 0.638 56.980 56.400 -0.097 0.000 0.813 117 E CB 0.355 30.017 29.700 -0.064 0.000 0.768 117 E HN -0.054 nan 8.360 nan 0.000 0.457 118 K N -0.016 120.329 120.400 -0.093 0.000 2.374 118 K HA 0.227 4.547 4.320 -0.000 0.000 0.202 118 K C -0.152 176.401 176.600 -0.079 0.000 1.040 118 K CA -0.084 56.155 56.287 -0.080 0.000 1.085 118 K CB 0.898 33.364 32.500 -0.057 0.000 0.873 118 K HN -0.044 nan 8.250 nan 0.000 0.539 119 R N 1.342 121.764 120.500 -0.130 0.000 3.516 119 R HA -0.176 4.164 4.340 -0.000 0.000 0.271 119 R C -0.701 175.636 176.300 0.062 0.000 1.098 119 R CA 0.560 56.591 56.100 -0.115 0.000 0.732 119 R CB -1.494 28.730 30.300 -0.127 0.000 1.152 119 R HN 0.152 nan 8.270 nan 0.000 0.455 120 R N 1.037 121.591 120.500 0.089 0.000 2.196 120 R HA 0.136 4.476 4.340 -0.000 0.000 0.340 120 R C 0.168 176.569 176.300 0.168 0.000 1.043 120 R CA -0.577 55.582 56.100 0.098 0.000 0.883 120 R CB 0.735 31.051 30.300 0.026 0.000 1.078 120 R HN 0.180 nan 8.270 nan 0.000 0.462 121 H N 4.540 123.663 119.070 0.089 0.000 2.764 121 H HA 0.090 4.646 4.556 -0.000 0.000 0.341 121 H C -0.548 174.779 175.328 -0.002 0.000 1.072 121 H CA 0.048 56.131 56.048 0.057 0.000 1.444 121 H CB 0.820 30.606 29.762 0.040 0.000 1.458 121 H HN 0.323 nan 8.280 nan 0.000 0.572 122 I N 5.302 125.493 120.570 -0.632 0.000 2.355 122 I HA -0.041 4.129 4.170 -0.000 0.000 0.288 122 I C 0.972 176.634 176.117 -0.758 0.000 0.999 122 I CA -0.384 60.614 61.300 -0.503 0.000 1.163 122 I CB 0.989 38.806 38.000 -0.306 0.000 1.316 122 I HN 0.698 nan 8.210 nan 0.000 0.454 123 N N 3.347 121.772 118.700 -0.459 0.000 2.424 123 N HA -0.043 4.697 4.740 -0.000 0.000 0.178 123 N C 0.720 176.179 175.510 -0.084 0.000 1.060 123 N CA 0.487 53.427 53.050 -0.182 0.000 0.901 123 N CB 0.548 39.098 38.487 0.105 0.000 0.979 123 N HN 0.782 nan 8.380 nan 0.000 0.451 124 T N -4.728 109.749 114.554 -0.127 0.000 2.762 124 T HA 0.306 4.656 4.350 -0.000 0.000 0.272 124 T C 0.969 175.609 174.700 -0.100 0.000 0.982 124 T CA -0.207 61.856 62.100 -0.062 0.000 1.013 124 T CB 0.979 69.860 68.868 0.021 0.000 1.309 124 T HN 0.015 nan 8.240 nan 0.000 0.572 125 T N -1.095 113.428 114.554 -0.052 0.000 3.044 125 T HA 0.250 4.600 4.350 -0.000 0.000 0.250 125 T C 1.123 175.796 174.700 -0.045 0.000 1.081 125 T CA 0.052 62.117 62.100 -0.058 0.000 1.040 125 T CB -0.184 68.659 68.868 -0.042 0.000 0.962 125 T HN 0.627 nan 8.240 nan 0.000 0.506 126 S N 3.041 118.724 115.700 -0.028 0.000 2.537 126 S HA 0.040 4.510 4.470 -0.000 0.000 0.286 126 S C 0.995 175.556 174.600 -0.065 0.000 1.299 126 S CA -0.390 57.815 58.200 0.008 0.000 1.067 126 S CB 0.245 63.514 63.200 0.114 0.000 0.864 126 S HN 0.549 nan 8.310 nan 0.000 0.494 127 D N 3.245 123.657 120.400 0.019 0.000 2.355 127 D HA 0.013 4.653 4.640 -0.000 0.000 0.218 127 D C 1.364 177.650 176.300 -0.024 0.000 1.004 127 D CA 0.460 54.461 54.000 0.001 0.000 0.880 127 D CB -0.196 40.642 40.800 0.064 0.000 0.911 127 D HN 0.392 nan 8.370 nan 0.000 0.528 128 S N -0.064 115.670 115.700 0.055 0.000 2.461 128 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 128 S C 1.640 176.140 174.600 -0.166 0.000 1.005 128 S CA 0.355 58.599 58.200 0.074 0.000 0.942 128 S CB -0.059 63.347 63.200 0.344 0.000 0.776 128 S HN 0.355 nan 8.310 nan 0.000 0.514 129 E N 0.947 120.866 120.200 -0.468 0.000 2.158 129 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 129 E C 1.737 178.152 176.600 -0.309 0.000 0.982 129 E CA 0.551 56.543 56.400 -0.680 0.000 0.823 129 E CB -0.008 29.146 29.700 -0.911 0.000 0.766 129 E HN 0.486 nan 8.360 nan 0.000 0.468 130 I N 0.776 121.214 120.570 -0.220 0.000 2.193 130 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 130 I C 2.552 178.607 176.117 -0.104 0.000 1.084 130 I CA 0.543 61.762 61.300 -0.135 0.000 1.365 130 I CB -0.213 37.729 38.000 -0.097 0.000 1.064 130 I HN 0.168 nan 8.210 nan 0.000 0.410 131 L N 0.472 121.615 121.223 -0.133 0.000 1.978 131 L HA -0.296 4.043 4.340 -0.000 0.000 0.218 131 L C 2.629 179.491 176.870 -0.012 0.000 1.075 131 L CA 1.628 56.385 54.840 -0.139 0.000 0.767 131 L CB -0.368 41.516 42.059 -0.291 0.000 0.890 131 L HN 0.272 nan 8.230 nan 0.000 0.434 132 L N -0.037 121.186 121.223 0.001 0.000 2.013 132 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 132 L C 2.185 179.106 176.870 0.086 0.000 1.073 132 L CA 1.995 56.897 54.840 0.103 0.000 0.753 132 L CB -1.062 41.035 42.059 0.063 0.000 0.890 132 L HN 0.325 nan 8.230 nan 0.000 0.432 133 N N -0.229 118.467 118.700 -0.006 0.000 2.142 133 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 133 N C 1.849 177.357 175.510 -0.004 0.000 1.023 133 N CA 1.769 54.804 53.050 -0.024 0.000 0.852 133 N CB -0.074 38.378 38.487 -0.059 0.000 0.998 133 N HN 0.342 nan 8.380 nan 0.000 0.424 134 I N 1.005 121.583 120.570 0.012 0.000 2.127 134 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 134 I C 2.274 178.437 176.117 0.077 0.000 1.075 134 I CA 1.037 62.350 61.300 0.022 0.000 1.334 134 I CB -1.313 36.694 38.000 0.011 0.000 1.040 134 I HN 0.041 nan 8.210 nan 0.000 0.405 135 F N 2.110 122.031 119.950 -0.048 0.000 2.161 135 F HA -0.159 4.368 4.527 0.000 0.000 0.300 135 F C 2.419 178.206 175.800 -0.021 0.000 1.089 135 F CA 1.334 59.312 58.000 -0.037 0.000 1.282 135 F CB -0.487 38.517 39.000 0.007 0.000 1.010 135 F HN 0.039 nan 8.300 nan 0.000 0.485 136 A N -0.435 122.307 122.820 -0.129 0.000 1.968 136 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 136 A C 2.376 179.845 177.584 -0.191 0.000 1.169 136 A CA 1.721 53.610 52.037 -0.247 0.000 0.638 136 A CB -1.260 17.668 19.000 -0.120 0.000 0.812 136 A HN 0.496 nan 8.150 nan 0.000 0.446 137 S N -0.472 115.156 115.700 -0.120 0.000 2.406 137 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 137 S C 1.586 176.105 174.600 -0.135 0.000 1.020 137 S CA 1.159 59.292 58.200 -0.112 0.000 0.965 137 S CB -0.242 62.911 63.200 -0.079 0.000 0.798 137 S HN 0.490 nan 8.310 nan 0.000 0.488 138 E N 1.855 121.978 120.200 -0.128 0.000 2.047 138 E HA 0.049 4.399 4.350 -0.000 0.000 0.191 138 E C 2.118 178.614 176.600 -0.173 0.000 0.987 138 E CA 0.886 57.206 56.400 -0.133 0.000 0.799 138 E CB -0.645 29.035 29.700 -0.034 0.000 0.752 138 E HN 0.538 nan 8.360 nan 0.000 0.449 139 L N 1.312 122.421 121.223 -0.190 0.000 2.191 139 L HA -0.178 4.161 4.340 -0.000 0.000 0.212 139 L C 2.082 178.974 176.870 0.036 0.000 1.103 139 L CA 0.882 55.687 54.840 -0.058 0.000 0.769 139 L CB -0.230 41.662 42.059 -0.277 0.000 0.908 139 L HN 0.002 nan 8.230 nan 0.000 0.438 140 D N 0.010 120.350 120.400 -0.099 0.000 2.310 140 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 140 D C 1.361 177.580 176.300 -0.134 0.000 0.965 140 D CA 0.630 54.573 54.000 -0.096 0.000 0.879 140 D CB -0.027 40.697 40.800 -0.127 0.000 0.921 140 D HN 0.248 nan 8.370 nan 0.000 0.510 141 N N 0.031 118.545 118.700 -0.310 0.000 2.485 141 N HA -0.035 4.705 4.740 -0.000 0.000 0.199 141 N C -0.645 174.580 175.510 -0.476 0.000 1.236 141 N CA 0.213 53.016 53.050 -0.411 0.000 0.852 141 N CB -0.087 38.112 38.487 -0.481 0.000 1.018 141 N HN 0.121 nan 8.380 nan 0.000 0.457 142 F N -0.317 119.665 119.950 0.053 0.000 2.469 142 F HA 0.439 4.966 4.527 -0.000 0.000 0.332 142 F C 1.681 177.594 175.800 0.189 0.000 1.103 142 F CA -0.990 57.092 58.000 0.136 0.000 0.979 142 F CB 1.685 40.797 39.000 0.187 0.000 1.137 142 F HN -0.290 nan 8.300 nan 0.000 0.463 143 R N 0.159 120.906 120.500 0.412 0.000 2.057 143 R HA -0.025 4.315 4.340 -0.000 0.000 0.224 143 R C 0.609 177.140 176.300 0.384 0.000 1.136 143 R CA 0.559 56.838 56.100 0.297 0.000 0.968 143 R CB -0.434 29.971 30.300 0.176 0.000 0.863 143 R HN 0.664 nan 8.270 nan 0.000 0.433 144 H N -0.751 118.424 119.070 0.175 0.000 2.836 144 H HA 0.019 4.575 4.556 -0.000 0.000 0.368 144 H C -1.009 174.452 175.328 0.223 0.000 1.164 144 H CA -0.038 56.107 56.048 0.162 0.000 1.425 144 H CB 0.113 29.924 29.762 0.081 0.000 1.414 144 H HN 0.070 nan 8.280 nan 0.000 0.614 145 Y N 2.116 122.418 120.300 0.003 0.000 2.421 145 Y HA 0.371 4.922 4.550 0.000 0.000 0.339 145 Y C -2.503 173.355 175.900 -0.071 0.000 0.996 145 Y CA -2.086 55.981 58.100 -0.055 0.000 1.046 145 Y CB 1.501 40.024 38.460 0.105 0.000 1.226 145 Y HN 0.777 nan 8.280 nan 0.000 0.445 146 P HA 0.338 nan 4.420 nan 0.000 0.276 146 P C -1.018 175.873 177.300 -0.681 0.000 1.261 146 P CA -0.513 61.948 63.100 -1.066 0.000 0.800 146 P CB 1.596 32.791 31.700 -0.842 0.000 1.066 147 L N 1.038 121.921 121.223 -0.566 0.000 2.397 147 L HA 0.144 4.484 4.340 -0.000 0.000 0.271 147 L C 1.119 177.696 176.870 -0.488 0.000 1.148 147 L CA -0.357 54.058 54.840 -0.708 0.000 0.825 147 L CB 0.232 41.766 42.059 -0.875 0.000 1.117 147 L HN 0.345 nan 8.230 nan 0.000 0.456 148 E N 1.098 121.025 120.200 -0.455 0.000 2.318 148 E HA 0.169 4.519 4.350 -0.000 0.000 0.265 148 E C 0.702 177.011 176.600 -0.485 0.000 1.069 148 E CA 0.021 56.218 56.400 -0.339 0.000 0.893 148 E CB 1.435 31.011 29.700 -0.207 0.000 1.076 148 E HN 0.658 nan 8.360 nan 0.000 0.414 149 A N 2.990 125.504 122.820 -0.510 0.000 1.927 149 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 149 A C 1.539 178.771 177.584 -0.587 0.000 1.185 149 A CA 2.037 53.635 52.037 -0.733 0.000 0.639 149 A CB -0.386 18.042 19.000 -0.953 0.000 0.820 149 A HN 0.636 nan 8.150 nan 0.000 0.451 150 D N -0.293 119.946 120.400 -0.267 0.000 2.123 150 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 150 D C 1.690 177.860 176.300 -0.217 0.000 0.992 150 D CA 1.763 55.711 54.000 -0.087 0.000 0.833 150 D CB -0.428 40.322 40.800 -0.083 0.000 0.954 150 D HN 0.710 nan 8.370 nan 0.000 0.455 151 N N 0.533 118.957 118.700 -0.460 0.000 2.166 151 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 151 N C 2.082 177.321 175.510 -0.452 0.000 1.019 151 N CA 0.588 53.181 53.050 -0.761 0.000 0.856 151 N CB -0.033 37.656 38.487 -1.329 0.000 0.993 151 N HN 0.169 nan 8.380 nan 0.000 0.426 152 I N 0.179 120.412 120.570 -0.562 0.000 2.163 152 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 152 I C 1.417 177.342 176.117 -0.320 0.000 1.081 152 I CA 1.126 62.119 61.300 -0.512 0.000 1.353 152 I CB -0.250 37.193 38.000 -0.928 0.000 1.054 152 I HN 0.031 nan 8.210 nan 0.000 0.407 153 F N 1.026 120.879 119.950 -0.161 0.000 2.216 153 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 153 F C 2.547 178.318 175.800 -0.050 0.000 1.085 153 F CA 1.040 58.980 58.000 -0.100 0.000 1.326 153 F CB -1.233 37.715 39.000 -0.087 0.000 1.027 153 F HN 0.012 nan 8.300 nan 0.000 0.497 154 A N 0.096 122.996 122.820 0.133 0.000 1.873 154 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 154 A C 2.474 180.152 177.584 0.157 0.000 1.186 154 A CA 1.773 53.904 52.037 0.156 0.000 0.616 154 A CB -1.301 17.835 19.000 0.228 0.000 0.823 154 A HN 0.283 nan 8.150 nan 0.000 0.442 155 A N -0.168 122.770 122.820 0.196 0.000 1.933 155 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 155 A C 2.120 179.804 177.584 0.166 0.000 1.175 155 A CA 1.520 53.675 52.037 0.197 0.000 0.628 155 A CB -0.603 18.527 19.000 0.216 0.000 0.814 155 A HN 0.505 nan 8.150 nan 0.000 0.444 156 I N -0.373 120.244 120.570 0.078 0.000 2.252 156 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 156 I C 2.993 179.021 176.117 -0.148 0.000 1.102 156 I CA 0.975 62.140 61.300 -0.224 0.000 1.385 156 I CB -0.377 37.379 38.000 -0.406 0.000 1.064 156 I HN 0.361 nan 8.210 nan 0.000 0.414 157 A N 0.883 123.688 122.820 -0.025 0.000 1.883 157 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 157 A C 2.542 180.131 177.584 0.008 0.000 1.186 157 A CA 2.054 54.093 52.037 0.003 0.000 0.624 157 A CB -0.932 18.091 19.000 0.039 0.000 0.822 157 A HN 0.437 nan 8.150 nan 0.000 0.444 158 A N -1.238 121.595 122.820 0.022 0.000 1.972 158 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 158 A C 2.282 179.870 177.584 0.007 0.000 1.169 158 A CA 2.268 54.313 52.037 0.014 0.000 0.635 158 A CB -1.200 17.807 19.000 0.011 0.000 0.810 158 A HN 0.448 nan 8.150 nan 0.000 0.446 159 T N 0.792 115.347 114.554 0.002 0.000 2.708 159 T HA -0.134 4.215 4.350 -0.000 0.000 0.266 159 T C 1.827 176.518 174.700 -0.015 0.000 1.037 159 T CA 1.418 63.511 62.100 -0.012 0.000 1.146 159 T CB -0.417 68.415 68.868 -0.059 0.000 0.865 159 T HN 0.498 nan 8.240 nan 0.000 0.435 160 N N 0.752 119.448 118.700 -0.006 0.000 2.272 160 N HA -0.060 4.680 4.740 -0.000 0.000 0.185 160 N C 2.041 177.593 175.510 0.070 0.000 1.014 160 N CA 0.862 53.958 53.050 0.078 0.000 0.870 160 N CB -0.158 38.381 38.487 0.088 0.000 0.975 160 N HN 0.192 nan 8.380 nan 0.000 0.433 161 R N 0.595 121.115 120.500 0.034 0.000 2.062 161 R HA 0.151 4.491 4.340 -0.000 0.000 0.229 161 R C 2.293 178.607 176.300 0.024 0.000 1.128 161 R CA 0.602 56.718 56.100 0.027 0.000 0.960 161 R CB -0.617 29.691 30.300 0.013 0.000 0.855 161 R HN 0.202 nan 8.270 nan 0.000 0.432 162 L N 0.630 121.861 121.223 0.013 0.000 2.023 162 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 162 L C 1.120 177.996 176.870 0.010 0.000 1.073 162 L CA 0.559 55.403 54.840 0.006 0.000 0.745 162 L CB -0.568 41.488 42.059 -0.005 0.000 0.900 162 L HN 0.188 nan 8.230 nan 0.000 0.435 163 I N -1.257 119.318 120.570 0.007 0.000 2.581 163 I HA 0.303 4.473 4.170 -0.000 0.000 0.288 163 I C -0.155 176.013 176.117 0.086 0.000 1.047 163 I CA -0.256 61.048 61.300 0.007 0.000 1.374 163 I CB 0.853 38.800 38.000 -0.089 0.000 1.423 163 I HN 0.074 nan 8.210 nan 0.000 0.549 164 R N 3.889 124.447 120.500 0.097 0.000 2.628 164 R HA 0.785 5.125 4.340 -0.000 0.000 0.288 164 R C -0.228 176.199 176.300 0.211 0.000 0.980 164 R CA -0.313 55.875 56.100 0.148 0.000 0.891 164 R CB 2.108 32.450 30.300 0.071 0.000 1.188 164 R HN 1.124 nan 8.270 nan 0.000 0.450 165 G N 0.728 109.701 108.800 0.289 0.000 2.278 165 G HA2 0.294 4.254 3.960 -0.000 0.000 0.265 165 G HA3 0.294 4.254 3.960 -0.000 0.000 0.265 165 G C -1.853 173.229 174.900 0.304 0.000 1.329 165 G CA -0.332 44.992 45.100 0.373 0.000 1.017 165 G HN 0.711 nan 8.290 nan 0.000 0.472 166 A N -0.650 122.379 122.820 0.348 0.000 2.340 166 A HA 1.082 5.402 4.320 -0.000 0.000 0.331 166 A C -0.788 176.987 177.584 0.318 0.000 1.140 166 A CA 0.006 52.091 52.037 0.080 0.000 0.801 166 A CB 1.180 20.176 19.000 -0.007 0.000 1.234 166 A HN 2.277 nan 8.150 nan 0.000 0.469 167 Y N -2.439 117.936 120.300 0.125 0.000 2.527 167 Y HA 0.629 5.179 4.550 0.000 0.000 0.328 167 Y C -0.706 175.235 175.900 0.067 0.000 1.216 167 Y CA -0.817 57.390 58.100 0.179 0.000 1.152 167 Y CB 0.604 39.151 38.460 0.144 0.000 1.342 167 Y HN 1.171 nan 8.280 nan 0.000 0.465 168 A N 1.947 124.903 122.820 0.226 0.000 2.335 168 A HA 0.831 5.151 4.320 -0.000 0.000 0.304 168 A C -1.177 176.406 177.584 -0.003 0.000 1.118 168 A CA -0.597 51.472 52.037 0.054 0.000 0.757 168 A CB 0.587 19.611 19.000 0.041 0.000 1.188 168 A HN 0.954 nan 8.150 nan 0.000 0.460 169 C N 1.127 120.245 119.300 -0.304 0.000 2.634 169 C HA 0.859 5.319 4.460 -0.000 0.000 0.313 169 C C -0.056 174.723 174.990 -0.352 0.000 1.198 169 C CA -0.630 58.114 59.018 -0.457 0.000 1.605 169 C CB 1.416 28.460 27.740 -1.161 0.000 2.196 169 C HN 0.805 nan 8.230 nan 0.000 0.486 170 V N 1.841 121.663 119.914 -0.153 0.000 2.841 170 V HA 0.968 5.088 4.120 -0.000 0.000 0.310 170 V C -0.466 175.648 176.094 0.034 0.000 1.090 170 V CA 0.205 62.491 62.300 -0.024 0.000 0.930 170 V CB 1.912 33.749 31.823 0.023 0.000 1.014 170 V HN 1.356 nan 8.190 nan 0.000 0.425 171 A N 6.196 129.086 122.820 0.117 0.000 2.599 171 A HA 0.958 5.278 4.320 -0.000 0.000 0.290 171 A C -1.480 176.249 177.584 0.242 0.000 1.101 171 A CA -0.719 51.426 52.037 0.180 0.000 0.674 171 A CB 2.088 21.233 19.000 0.242 0.000 1.277 171 A HN 0.805 nan 8.150 nan 0.000 0.419 172 M N 0.577 120.350 119.600 0.288 0.000 2.501 172 M HA 0.570 5.050 4.480 -0.000 0.000 0.293 172 M C -1.501 175.064 176.300 0.441 0.000 1.192 172 M CA -0.110 55.403 55.300 0.356 0.000 0.886 172 M CB 2.317 35.150 32.600 0.389 0.000 1.710 172 M HN 0.548 nan 8.290 nan 0.000 0.457 173 I N 3.135 123.945 120.570 0.401 0.000 2.466 173 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 173 I C -0.247 176.086 176.117 0.359 0.000 1.026 173 I CA -1.012 60.513 61.300 0.375 0.000 1.078 173 I CB 1.787 39.907 38.000 0.199 0.000 1.249 173 I HN 0.544 nan 8.210 nan 0.000 0.429 174 I N 4.687 125.443 120.570 0.309 0.000 2.752 174 I HA 0.026 4.196 4.170 -0.000 0.000 0.287 174 I C 1.549 177.769 176.117 0.172 0.000 1.188 174 I CA 1.071 62.452 61.300 0.136 0.000 1.427 174 I CB 0.192 38.209 38.000 0.029 0.000 1.365 174 I HN 1.040 nan 8.210 nan 0.000 0.585 175 G N 4.590 113.406 108.800 0.026 0.000 2.175 175 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.265 175 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.265 175 G C 0.470 175.071 174.900 -0.499 0.000 0.979 175 G CA 1.014 46.027 45.100 -0.145 0.000 0.663 175 G HN 0.818 nan 8.290 nan 0.000 0.533 176 H N -1.425 117.655 119.070 0.017 0.000 2.809 176 H HA 0.552 5.108 4.556 -0.000 0.000 0.150 176 H C 1.424 176.850 175.328 0.164 0.000 1.073 176 H CA 1.083 57.159 56.048 0.047 0.000 1.099 176 H CB 0.443 30.188 29.762 -0.027 0.000 1.078 176 H HN 1.053 nan 8.280 nan 0.000 0.337 177 G N -0.148 108.884 108.800 0.387 0.000 2.360 177 G HA2 0.259 4.219 3.960 -0.000 0.000 0.276 177 G HA3 0.259 4.219 3.960 -0.000 0.000 0.276 177 G C -1.611 173.496 174.900 0.344 0.000 1.256 177 G CA -0.470 44.803 45.100 0.289 0.000 0.890 177 G HN 0.228 nan 8.290 nan 0.000 0.486 178 M N 1.106 120.871 119.600 0.276 0.000 2.364 178 M HA 0.695 5.175 4.480 -0.000 0.000 0.334 178 M C -0.535 175.969 176.300 0.339 0.000 1.107 178 M CA -0.980 54.483 55.300 0.273 0.000 0.988 178 M CB 1.830 34.539 32.600 0.182 0.000 1.673 178 M HN 1.108 nan 8.290 nan 0.000 0.441 179 V N 1.963 122.066 119.914 0.315 0.000 2.823 179 V HA 1.071 5.191 4.120 -0.000 0.000 0.312 179 V C -1.126 175.127 176.094 0.265 0.000 1.072 179 V CA -0.451 62.038 62.300 0.314 0.000 0.937 179 V CB 1.386 33.361 31.823 0.254 0.000 1.013 179 V HN 1.041 nan 8.190 nan 0.000 0.430 180 A N 3.936 126.930 122.820 0.290 0.000 2.539 180 A HA 1.070 5.390 4.320 -0.000 0.000 0.296 180 A C -1.065 176.733 177.584 0.356 0.000 1.073 180 A CA -0.528 51.631 52.037 0.203 0.000 0.700 180 A CB 1.821 20.901 19.000 0.134 0.000 1.296 180 A HN 2.221 nan 8.150 nan 0.000 0.405 181 F N -0.948 119.045 119.950 0.071 0.000 2.703 181 F HA 0.844 5.371 4.527 -0.000 0.000 0.308 181 F C -1.003 174.863 175.800 0.111 0.000 1.126 181 F CA -0.847 57.203 58.000 0.084 0.000 0.959 181 F CB 1.330 40.367 39.000 0.062 0.000 1.297 181 F HN 0.733 nan 8.300 nan 0.000 0.441 182 R N 1.783 122.441 120.500 0.263 0.000 2.740 182 R HA 0.375 4.715 4.340 -0.000 0.000 0.282 182 R C -0.897 175.412 176.300 0.014 0.000 0.969 182 R CA -0.676 55.479 56.100 0.091 0.000 0.918 182 R CB 1.243 31.567 30.300 0.039 0.000 1.175 182 R HN 0.877 nan 8.270 nan 0.000 0.464 183 D N 3.758 123.923 120.400 -0.392 0.000 2.364 183 D HA -0.026 4.614 4.640 -0.000 0.000 0.236 183 D C -1.727 174.402 176.300 -0.285 0.000 1.221 183 D CA -1.143 52.376 54.000 -0.801 0.000 0.891 183 D CB 0.464 40.473 40.800 -1.318 0.000 1.190 183 D HN 0.293 nan 8.370 nan 0.000 0.449 184 P HA -0.163 nan 4.420 nan 0.000 0.216 184 P C 0.286 177.530 177.300 -0.093 0.000 1.154 184 P CA 1.581 64.634 63.100 -0.078 0.000 0.865 184 P CB -0.003 31.674 31.700 -0.037 0.000 0.789 185 N N -1.547 117.071 118.700 -0.136 0.000 2.362 185 N HA 0.202 4.942 4.740 -0.000 0.000 0.204 185 N C 0.886 176.322 175.510 -0.124 0.000 1.166 185 N CA 0.642 53.617 53.050 -0.124 0.000 0.831 185 N CB -0.737 37.659 38.487 -0.151 0.000 1.008 185 N HN 0.015 nan 8.380 nan 0.000 0.472 186 G N 0.826 109.556 108.800 -0.117 0.000 2.402 186 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.300 186 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.300 186 G C 0.888 175.743 174.900 -0.076 0.000 0.987 186 G CA 0.613 45.664 45.100 -0.081 0.000 0.881 186 G HN 0.433 nan 8.290 nan 0.000 0.512 187 I N -0.836 119.657 120.570 -0.128 0.000 2.133 187 I HA -0.011 4.159 4.170 -0.000 0.000 0.238 187 I C 1.819 177.907 176.117 -0.048 0.000 1.074 187 I CA 0.956 62.190 61.300 -0.109 0.000 1.342 187 I CB -0.256 37.610 38.000 -0.225 0.000 1.053 187 I HN 0.125 nan 8.210 nan 0.000 0.404 188 R N 2.114 122.580 120.500 -0.056 0.000 2.490 188 R HA 0.280 4.620 4.340 -0.000 0.000 0.278 188 R C -2.258 174.044 176.300 0.005 0.000 1.069 188 R CA -1.956 54.136 56.100 -0.014 0.000 1.080 188 R CB -0.230 30.074 30.300 0.007 0.000 1.030 188 R HN 0.076 nan 8.270 nan 0.000 0.491 189 P HA 0.264 nan 4.420 nan 0.000 0.277 189 P C -0.810 176.521 177.300 0.051 0.000 1.240 189 P CA -0.438 62.688 63.100 0.044 0.000 0.798 189 P CB 0.994 32.720 31.700 0.043 0.000 0.979 190 L N 2.501 123.765 121.223 0.069 0.000 2.787 190 L HA 0.325 4.665 4.340 -0.000 0.000 0.260 190 L C -0.998 175.925 176.870 0.088 0.000 0.921 190 L CA -0.680 54.200 54.840 0.067 0.000 0.984 190 L CB 1.555 43.643 42.059 0.049 0.000 1.519 190 L HN 0.324 nan 8.230 nan 0.000 0.452 191 V N 1.977 121.949 119.914 0.097 0.000 3.046 191 V HA 0.878 4.998 4.120 -0.000 0.000 0.316 191 V C -1.349 174.762 176.094 0.028 0.000 1.104 191 V CA -0.893 61.466 62.300 0.099 0.000 1.006 191 V CB 2.041 34.023 31.823 0.265 0.000 1.058 191 V HN 0.825 nan 8.190 nan 0.000 0.440 192 L N 1.622 122.800 121.223 -0.075 0.000 2.381 192 L HA 1.069 5.409 4.340 -0.000 0.000 0.268 192 L C 0.038 176.846 176.870 -0.103 0.000 0.997 192 L CA 0.521 55.336 54.840 -0.041 0.000 0.818 192 L CB 1.688 43.736 42.059 -0.018 0.000 1.310 192 L HN 1.279 nan 8.230 nan 0.000 0.416 193 G N 2.704 111.542 108.800 0.063 0.000 2.708 193 G HA2 0.724 4.684 3.960 -0.000 0.000 0.289 193 G HA3 0.724 4.684 3.960 -0.000 0.000 0.289 193 G C -1.958 173.119 174.900 0.296 0.000 1.416 193 G CA -0.612 44.571 45.100 0.139 0.000 0.829 193 G HN 0.836 nan 8.290 nan 0.000 0.480 194 K N -1.452 119.090 120.400 0.238 0.000 2.548 194 K HA 0.832 5.152 4.320 -0.000 0.000 0.282 194 K C -1.015 175.393 176.600 -0.319 0.000 1.006 194 K CA -1.207 55.077 56.287 -0.004 0.000 0.892 194 K CB 2.349 34.659 32.500 -0.317 0.000 1.499 194 K HN 0.685 nan 8.250 nan 0.000 0.433 195 R N 1.245 121.353 120.500 -0.652 0.000 2.512 195 R HA 0.219 4.559 4.340 -0.000 0.000 0.291 195 R C -1.511 174.505 176.300 -0.473 0.000 1.097 195 R CA -0.488 55.178 56.100 -0.724 0.000 0.940 195 R CB 1.498 30.987 30.300 -1.352 0.000 1.198 195 R HN 0.753 nan 8.270 nan 0.000 0.429 196 D N 4.933 125.144 120.400 -0.316 0.000 2.389 196 D HA 0.082 4.722 4.640 -0.000 0.000 0.247 196 D C 0.868 177.060 176.300 -0.180 0.000 1.128 196 D CA 0.015 53.879 54.000 -0.226 0.000 0.884 196 D CB 1.173 41.876 40.800 -0.161 0.000 1.194 196 D HN 0.415 nan 8.370 nan 0.000 0.441 197 I N 1.569 122.052 120.570 -0.145 0.000 2.726 197 I HA -0.005 4.165 4.170 -0.000 0.000 0.243 197 I C 0.812 176.885 176.117 -0.074 0.000 1.082 197 I CA 1.025 62.265 61.300 -0.101 0.000 1.447 197 I CB -0.621 37.331 38.000 -0.081 0.000 1.250 197 I HN 0.486 nan 8.210 nan 0.000 0.453 198 D N -1.483 118.878 120.400 -0.066 0.000 3.103 198 D HA 0.048 4.688 4.640 -0.000 0.000 0.337 198 D C 0.484 176.757 176.300 -0.045 0.000 1.356 198 D CA -0.338 53.632 54.000 -0.049 0.000 0.951 198 D CB 0.101 40.879 40.800 -0.036 0.000 1.438 198 D HN 0.142 nan 8.370 nan 0.000 0.562 199 E N -0.219 119.960 120.200 -0.033 0.000 2.393 199 E HA -0.246 4.104 4.350 -0.000 0.000 0.201 199 E C 0.387 176.971 176.600 -0.026 0.000 1.025 199 E CA 1.862 58.245 56.400 -0.028 0.000 0.856 199 E CB -0.669 29.019 29.700 -0.021 0.000 0.771 199 E HN 0.525 nan 8.360 nan 0.000 0.526 200 N N -0.151 118.533 118.700 -0.027 0.000 2.765 200 N HA 0.062 4.802 4.740 -0.000 0.000 0.256 200 N C 0.008 175.505 175.510 -0.021 0.000 0.985 200 N CA -0.609 52.429 53.050 -0.020 0.000 0.980 200 N CB 0.018 38.497 38.487 -0.013 0.000 1.701 200 N HN -0.145 nan 8.380 nan 0.000 0.683 201 R N 1.819 122.305 120.500 -0.024 0.000 2.484 201 R HA 0.271 4.611 4.340 -0.000 0.000 0.293 201 R C -0.725 175.540 176.300 -0.057 0.000 1.023 201 R CA 0.632 56.718 56.100 -0.024 0.000 1.037 201 R CB 0.518 30.805 30.300 -0.022 0.000 0.951 201 R HN 0.185 nan 8.270 nan 0.000 0.418 202 T N 2.611 117.128 114.554 -0.061 0.000 2.971 202 T HA 0.175 4.525 4.350 -0.000 0.000 0.304 202 T C -0.692 173.866 174.700 -0.237 0.000 1.038 202 T CA -0.861 61.123 62.100 -0.193 0.000 1.007 202 T CB 1.968 70.677 68.868 -0.266 0.000 1.055 202 T HN 0.461 nan 8.240 nan 0.000 0.451 203 E N 1.615 121.645 120.200 -0.284 0.000 2.319 203 E HA 0.526 4.876 4.350 -0.000 0.000 0.268 203 E C -1.147 175.344 176.600 -0.181 0.000 1.050 203 E CA -0.617 55.727 56.400 -0.094 0.000 0.878 203 E CB 1.182 30.891 29.700 0.015 0.000 1.066 203 E HN 0.523 nan 8.360 nan 0.000 0.406 204 Y N 0.613 121.078 120.300 0.276 0.000 2.581 204 Y HA 0.497 5.047 4.550 -0.000 0.000 0.345 204 Y C 0.006 176.032 175.900 0.210 0.000 1.036 204 Y CA -1.074 57.187 58.100 0.269 0.000 1.042 204 Y CB 1.859 40.387 38.460 0.114 0.000 1.289 204 Y HN 0.476 nan 8.280 nan 0.000 0.471 205 M N 1.431 121.178 119.600 0.246 0.000 2.534 205 M HA 0.831 5.311 4.480 -0.000 0.000 0.280 205 M C -2.183 174.113 176.300 -0.007 0.000 1.217 205 M CA -0.927 54.348 55.300 -0.042 0.000 0.893 205 M CB 2.333 34.599 32.600 -0.557 0.000 1.730 205 M HN 0.400 nan 8.290 nan 0.000 0.483 206 V N -0.406 119.498 119.914 -0.016 0.000 3.001 206 V HA 1.112 5.232 4.120 -0.000 0.000 0.314 206 V C -0.623 175.464 176.094 -0.010 0.000 1.099 206 V CA -0.052 62.254 62.300 0.011 0.000 0.989 206 V CB 1.106 32.954 31.823 0.041 0.000 1.040 206 V HN 1.497 nan 8.190 nan 0.000 0.434 207 A N 1.439 124.269 122.820 0.016 0.000 2.610 207 A HA 0.720 5.040 4.320 -0.000 0.000 0.291 207 A C 0.441 178.049 177.584 0.039 0.000 1.086 207 A CA 0.105 52.150 52.037 0.013 0.000 0.677 207 A CB 1.178 20.178 19.000 0.000 0.000 1.278 207 A HN 1.062 nan 8.150 nan 0.000 0.414 208 S N -0.117 115.600 115.700 0.029 0.000 2.447 208 S HA 0.043 4.513 4.470 -0.000 0.000 0.233 208 S C 0.417 175.054 174.600 0.062 0.000 1.006 208 S CA 1.342 59.567 58.200 0.041 0.000 0.957 208 S CB -0.124 63.090 63.200 0.023 0.000 0.773 208 S HN 0.630 nan 8.310 nan 0.000 0.507 209 E N -0.165 120.074 120.200 0.066 0.000 2.331 209 E HA 0.266 4.616 4.350 -0.000 0.000 0.275 209 E C 0.120 176.793 176.600 0.121 0.000 0.895 209 E CA -0.226 56.228 56.400 0.091 0.000 0.753 209 E CB 1.832 31.579 29.700 0.079 0.000 1.216 209 E HN 0.150 nan 8.360 nan 0.000 0.434 210 S N 0.376 116.178 115.700 0.171 0.000 2.440 210 S HA -0.195 4.275 4.470 -0.000 0.000 0.238 210 S C 2.043 176.738 174.600 0.157 0.000 1.010 210 S CA 1.369 59.705 58.200 0.227 0.000 0.972 210 S CB -0.761 62.592 63.200 0.254 0.000 0.774 210 S HN 0.476 nan 8.310 nan 0.000 0.501 211 V N 0.539 120.512 119.914 0.097 0.000 2.469 211 V HA -0.120 4.000 4.120 -0.000 0.000 0.251 211 V C 2.636 178.770 176.094 0.067 0.000 1.064 211 V CA 1.425 63.765 62.300 0.066 0.000 1.066 211 V CB -1.847 29.995 31.823 0.032 0.000 0.667 211 V HN 0.517 nan 8.190 nan 0.000 0.461 212 A N 0.510 123.365 122.820 0.059 0.000 1.902 212 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 212 A C 2.103 179.706 177.584 0.031 0.000 1.181 212 A CA 2.134 54.186 52.037 0.026 0.000 0.623 212 A CB -0.581 18.418 19.000 -0.001 0.000 0.818 212 A HN 0.495 nan 8.150 nan 0.000 0.443 213 L N 0.218 121.488 121.223 0.079 0.000 1.988 213 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 213 L C 2.072 179.059 176.870 0.194 0.000 1.071 213 L CA 2.033 56.956 54.840 0.138 0.000 0.744 213 L CB -0.987 41.211 42.059 0.232 0.000 0.893 213 L HN 0.306 nan 8.230 nan 0.000 0.433 214 D N -0.814 119.688 120.400 0.170 0.000 2.126 214 D HA -0.223 4.417 4.640 -0.000 0.000 0.190 214 D C 2.093 178.465 176.300 0.120 0.000 1.001 214 D CA 2.003 56.088 54.000 0.142 0.000 0.841 214 D CB -0.487 40.379 40.800 0.111 0.000 0.949 214 D HN 0.253 nan 8.370 nan 0.000 0.446 215 T N 0.597 115.209 114.554 0.096 0.000 2.803 215 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 215 T C 1.884 176.648 174.700 0.107 0.000 1.052 215 T CA 0.594 62.742 62.100 0.081 0.000 1.136 215 T CB -0.086 68.815 68.868 0.055 0.000 0.864 215 T HN 0.147 nan 8.240 nan 0.000 0.467 216 L N -0.503 120.812 121.223 0.152 0.000 2.529 216 L HA 0.291 4.630 4.340 -0.000 0.000 0.223 216 L C 1.739 178.787 176.870 0.295 0.000 1.113 216 L CA 0.419 55.396 54.840 0.228 0.000 0.861 216 L CB -0.148 42.051 42.059 0.234 0.000 1.012 216 L HN 0.433 nan 8.230 nan 0.000 0.461 217 G N 0.203 109.151 108.800 0.247 0.000 2.140 217 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.211 217 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.211 217 G C -0.221 174.747 174.900 0.113 0.000 1.013 217 G CA -0.586 44.599 45.100 0.143 0.000 0.705 217 G HN 0.095 nan 8.290 nan 0.000 0.508 218 F N 1.834 121.808 119.950 0.039 0.000 2.410 218 F HA 0.389 4.916 4.527 -0.001 0.000 0.349 218 F C 0.678 176.514 175.800 0.060 0.000 1.117 218 F CA -1.228 56.791 58.000 0.032 0.000 1.104 218 F CB 1.004 40.028 39.000 0.039 0.000 1.122 218 F HN 0.006 nan 8.300 nan 0.000 0.483 219 D N 3.745 124.206 120.400 0.102 0.000 2.425 219 D HA -0.053 4.587 4.640 -0.000 0.000 0.247 219 D C -0.224 176.186 176.300 0.183 0.000 1.147 219 D CA 0.152 54.219 54.000 0.111 0.000 0.879 219 D CB 0.605 41.416 40.800 0.019 0.000 1.179 219 D HN 0.299 nan 8.370 nan 0.000 0.456 220 F N 2.696 122.691 119.950 0.075 0.000 2.504 220 F HA 0.073 4.600 4.527 0.001 0.000 0.369 220 F C 0.512 176.350 175.800 0.063 0.000 1.082 220 F CA -0.128 57.921 58.000 0.081 0.000 1.216 220 F CB 0.439 39.471 39.000 0.055 0.000 1.108 220 F HN 0.281 nan 8.300 nan 0.000 0.554 221 L N 5.048 125.916 121.223 -0.593 0.000 2.416 221 L HA 0.353 4.693 4.340 -0.000 0.000 0.188 221 L C 0.175 176.616 176.870 -0.716 0.000 1.145 221 L CA 0.037 54.632 54.840 -0.409 0.000 0.826 221 L CB -0.056 41.896 42.059 -0.178 0.000 1.064 221 L HN 0.684 nan 8.230 nan 0.000 0.490 222 R N -1.455 118.469 120.500 -0.960 0.000 2.829 222 R HA 0.242 4.582 4.340 -0.000 0.000 0.284 222 R C -1.896 174.235 176.300 -0.283 0.000 1.006 222 R CA -0.936 54.810 56.100 -0.590 0.000 0.844 222 R CB 0.277 30.483 30.300 -0.156 0.000 1.309 222 R HN -0.224 nan 8.270 nan 0.000 0.494 223 D N 0.342 120.763 120.400 0.035 0.000 2.345 223 D HA 0.264 4.904 4.640 -0.000 0.000 0.247 223 D C -0.409 175.918 176.300 0.044 0.000 1.108 223 D CA -0.108 53.952 54.000 0.101 0.000 0.894 223 D CB 1.278 42.173 40.800 0.160 0.000 1.203 223 D HN 0.248 nan 8.370 nan 0.000 0.430 224 V N 2.421 122.365 119.914 0.051 0.000 2.479 224 V HA 0.299 4.419 4.120 -0.000 0.000 0.281 224 V C 0.663 176.786 176.094 0.049 0.000 1.031 224 V CA -0.440 61.889 62.300 0.050 0.000 1.038 224 V CB 0.564 32.428 31.823 0.068 0.000 0.981 224 V HN 0.713 nan 8.190 nan 0.000 0.478 225 A N 8.641 131.484 122.820 0.038 0.000 2.448 225 A HA 0.443 4.763 4.320 -0.000 0.000 0.239 225 A C -2.242 175.356 177.584 0.023 0.000 1.080 225 A CA -1.000 51.053 52.037 0.027 0.000 0.779 225 A CB -0.321 18.688 19.000 0.016 0.000 1.026 225 A HN 0.696 nan 8.150 nan 0.000 0.499 226 P HA 0.222 nan 4.420 nan 0.000 0.266 226 P C 1.106 178.408 177.300 0.002 0.000 1.195 226 P CA 1.840 64.933 63.100 -0.012 0.000 0.768 226 P CB 0.579 32.259 31.700 -0.032 0.000 0.838 227 G N 1.329 110.136 108.800 0.011 0.000 2.270 227 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.268 227 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.268 227 G C 0.348 175.288 174.900 0.067 0.000 0.982 227 G CA 0.462 45.587 45.100 0.042 0.000 0.628 227 G HN 0.662 nan 8.290 nan 0.000 0.544 228 E N 0.696 120.935 120.200 0.065 0.000 2.390 228 E HA 0.602 4.952 4.350 -0.000 0.000 0.261 228 E C 0.329 177.018 176.600 0.148 0.000 1.076 228 E CA 0.012 56.452 56.400 0.066 0.000 0.905 228 E CB 0.725 30.450 29.700 0.042 0.000 0.984 228 E HN 0.882 nan 8.360 nan 0.000 0.427 229 A N 3.908 126.819 122.820 0.151 0.000 2.413 229 A HA 0.635 4.955 4.320 -0.000 0.000 0.307 229 A C -1.220 176.565 177.584 0.335 0.000 1.087 229 A CA -0.794 51.421 52.037 0.296 0.000 0.750 229 A CB 1.107 20.318 19.000 0.351 0.000 1.296 229 A HN 0.508 nan 8.150 nan 0.000 0.423 230 I N 0.486 121.285 120.570 0.381 0.000 2.785 230 I HA 0.498 4.668 4.170 -0.000 0.000 0.302 230 I C -1.303 175.082 176.117 0.445 0.000 1.069 230 I CA -0.524 60.987 61.300 0.352 0.000 1.045 230 I CB 1.684 39.801 38.000 0.196 0.000 1.236 230 I HN 0.727 nan 8.210 nan 0.000 0.429 231 Y N 5.429 125.890 120.300 0.268 0.000 2.362 231 Y HA 0.626 5.176 4.550 -0.000 0.000 0.326 231 Y C -1.716 174.278 175.900 0.157 0.000 1.083 231 Y CA -1.353 56.857 58.100 0.184 0.000 1.073 231 Y CB 1.405 39.910 38.460 0.075 0.000 1.211 231 Y HN 0.405 nan 8.280 nan 0.000 0.433 232 I N 5.845 126.257 120.570 -0.262 0.000 2.382 232 I HA 0.338 4.508 4.170 -0.000 0.000 0.286 232 I C 0.305 176.132 176.117 -0.483 0.000 1.002 232 I CA -0.504 60.572 61.300 -0.374 0.000 1.135 232 I CB 1.994 39.867 38.000 -0.213 0.000 1.288 232 I HN 0.728 nan 8.210 nan 0.000 0.448 233 T N 0.814 115.057 114.554 -0.517 0.000 2.813 233 T HA 0.167 4.517 4.350 -0.000 0.000 0.297 233 T C 0.891 175.523 174.700 -0.114 0.000 1.036 233 T CA -0.345 61.557 62.100 -0.329 0.000 1.044 233 T CB 0.729 69.512 68.868 -0.141 0.000 0.993 233 T HN 0.650 nan 8.240 nan 0.000 0.535 234 E N 0.211 120.392 120.200 -0.032 0.000 2.472 234 E HA -0.084 4.266 4.350 -0.000 0.000 0.200 234 E C 1.109 177.712 176.600 0.006 0.000 1.046 234 E CA 0.742 57.147 56.400 0.009 0.000 0.871 234 E CB 0.038 29.750 29.700 0.019 0.000 0.806 234 E HN 0.706 nan 8.360 nan 0.000 0.533 235 E N -0.951 119.243 120.200 -0.010 0.000 2.476 235 E HA 0.146 4.496 4.350 -0.000 0.000 0.196 235 E C 0.785 177.385 176.600 0.000 0.000 1.029 235 E CA 0.361 56.760 56.400 -0.001 0.000 0.896 235 E CB 1.132 30.831 29.700 -0.002 0.000 1.012 235 E HN 0.257 nan 8.360 nan 0.000 0.475 236 G N 0.910 109.708 108.800 -0.004 0.000 2.157 236 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.239 236 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.239 236 G C 0.108 174.990 174.900 -0.030 0.000 0.982 236 G CA -0.209 44.917 45.100 0.042 0.000 0.650 236 G HN 0.282 nan 8.290 nan 0.000 0.527 237 Q N 0.223 119.925 119.800 -0.163 0.000 2.295 237 Q HA 0.528 4.868 4.340 -0.000 0.000 0.259 237 Q C -0.036 175.621 176.000 -0.572 0.000 0.976 237 Q CA -0.729 54.867 55.803 -0.346 0.000 0.923 237 Q CB 0.882 29.404 28.738 -0.360 0.000 1.185 237 Q HN 0.404 nan 8.270 nan 0.000 0.410 238 L N 4.508 125.364 121.223 -0.613 0.000 2.350 238 L HA 0.516 4.855 4.340 -0.000 0.000 0.275 238 L C -1.589 174.930 176.870 -0.586 0.000 1.099 238 L CA 0.382 54.866 54.840 -0.593 0.000 0.808 238 L CB 0.529 42.205 42.059 -0.637 0.000 1.149 238 L HN 0.490 nan 8.230 nan 0.000 0.442 239 F N 2.000 121.960 119.950 0.016 0.000 2.581 239 F HA 0.639 5.166 4.527 0.000 0.000 0.311 239 F C 0.174 176.132 175.800 0.263 0.000 1.113 239 F CA -0.398 57.727 58.000 0.208 0.000 0.935 239 F CB 2.271 41.566 39.000 0.490 0.000 1.232 239 F HN 0.651 nan 8.300 nan 0.000 0.445 240 T N 0.331 115.029 114.554 0.240 0.000 2.901 240 T HA 0.927 5.277 4.350 -0.000 0.000 0.293 240 T C -1.115 173.367 174.700 -0.363 0.000 1.084 240 T CA -0.901 61.212 62.100 0.023 0.000 1.008 240 T CB 2.636 71.510 68.868 0.010 0.000 1.170 240 T HN 0.873 nan 8.240 nan 0.000 0.509 241 R N 0.764 120.983 120.500 -0.469 0.000 3.513 241 R HA 0.373 4.713 4.340 -0.000 0.000 0.243 241 R C -1.862 174.247 176.300 -0.317 0.000 1.033 241 R CA -0.446 55.310 56.100 -0.575 0.000 1.083 241 R CB 1.132 30.657 30.300 -1.292 0.000 1.246 241 R HN 0.816 nan 8.270 nan 0.000 0.526 242 Q N 2.850 122.539 119.800 -0.183 0.000 2.313 242 Q HA 0.271 4.611 4.340 -0.000 0.000 0.266 242 Q C -0.852 175.105 176.000 -0.073 0.000 0.989 242 Q CA 0.306 56.057 55.803 -0.087 0.000 0.890 242 Q CB 1.010 29.712 28.738 -0.060 0.000 1.200 242 Q HN 0.693 nan 8.270 nan 0.000 0.396 243 C N 3.743 123.030 119.300 -0.021 0.000 2.969 243 C HA 0.829 5.289 4.460 -0.000 0.000 0.260 243 C C -0.092 174.905 174.990 0.013 0.000 1.618 243 C CA -0.009 59.009 59.018 0.000 0.000 1.774 243 C CB -0.980 26.770 27.740 0.017 0.000 3.063 243 C HN 0.777 nan 8.230 nan 0.000 0.506 244 A N 0.160 122.987 122.820 0.012 0.000 2.435 244 A HA 0.623 4.943 4.320 -0.000 0.000 0.304 244 A C 0.181 177.769 177.584 0.007 0.000 1.064 244 A CA -0.181 51.867 52.037 0.019 0.000 0.727 244 A CB 1.086 20.102 19.000 0.025 0.000 1.284 244 A HN 0.185 nan 8.150 nan 0.000 0.415 245 D N 0.734 121.139 120.400 0.009 0.000 2.085 245 D HA -0.056 4.584 4.640 -0.000 0.000 0.199 245 D C -0.084 176.216 176.300 -0.001 0.000 0.981 245 D CA 1.712 55.714 54.000 0.003 0.000 0.834 245 D CB 0.020 40.823 40.800 0.006 0.000 0.992 245 D HN 0.652 nan 8.370 nan 0.000 0.457 246 N N 1.645 120.344 118.700 -0.001 0.000 2.976 246 N HA 0.223 4.963 4.740 -0.000 0.000 0.255 246 N C -2.530 172.972 175.510 -0.013 0.000 1.312 246 N CA -0.881 52.165 53.050 -0.007 0.000 0.897 246 N CB 1.687 40.171 38.487 -0.005 0.000 1.184 246 N HN 0.085 nan 8.380 nan 0.000 0.497 247 P HA 0.241 nan 4.420 nan 0.000 0.275 247 P C -0.661 176.622 177.300 -0.029 0.000 1.227 247 P CA -0.196 62.890 63.100 -0.022 0.000 0.781 247 P CB 1.538 33.228 31.700 -0.016 0.000 0.906 248 V N 0.661 120.551 119.914 -0.040 0.000 3.120 248 V HA 0.255 4.375 4.120 -0.000 0.000 0.303 248 V C -0.048 176.009 176.094 -0.061 0.000 1.238 248 V CA -0.732 61.539 62.300 -0.047 0.000 1.008 248 V CB 2.048 33.841 31.823 -0.049 0.000 1.064 248 V HN 0.497 nan 8.190 nan 0.000 0.434 249 S N 1.978 117.635 115.700 -0.071 0.000 2.399 249 S HA 0.418 4.888 4.470 -0.000 0.000 0.301 249 S C 0.150 174.669 174.600 -0.134 0.000 1.093 249 S CA -0.351 57.796 58.200 -0.087 0.000 1.077 249 S CB -0.392 62.758 63.200 -0.083 0.000 0.980 249 S HN 0.788 nan 8.310 nan 0.000 0.494 250 N N 4.419 123.050 118.700 -0.114 0.000 2.696 250 N HA 0.196 4.936 4.740 -0.000 0.000 0.308 250 N C -2.836 172.645 175.510 -0.049 0.000 1.915 250 N CA -1.259 51.722 53.050 -0.115 0.000 0.906 250 N CB 1.132 39.565 38.487 -0.091 0.000 1.284 250 N HN 0.406 nan 8.380 nan 0.000 0.488 251 P HA -0.091 nan 4.420 nan 0.000 0.265 251 P C 0.389 177.879 177.300 0.317 0.000 1.193 251 P CA -0.031 63.156 63.100 0.146 0.000 0.765 251 P CB 0.870 32.711 31.700 0.234 0.000 0.823 252 C N 4.867 124.307 119.300 0.235 0.000 2.590 252 C HA -0.032 4.428 4.460 -0.000 0.000 0.411 252 C C 2.128 177.384 174.990 0.444 0.000 1.420 252 C CA -0.193 58.980 59.018 0.259 0.000 1.643 252 C CB -1.883 25.939 27.740 0.138 0.000 2.528 252 C HN 0.622 nan 8.230 nan 0.000 0.606 253 L N 5.833 127.350 121.223 0.491 0.000 2.072 253 L HA 0.095 4.435 4.340 -0.000 0.000 0.205 253 L C 1.811 178.990 176.870 0.515 0.000 1.079 253 L CA 1.762 56.915 54.840 0.522 0.000 0.752 253 L CB -1.080 41.218 42.059 0.399 0.000 0.906 253 L HN 0.812 nan 8.230 nan 0.000 0.436 254 F N 0.356 120.493 119.950 0.311 0.000 2.307 254 F HA -0.191 4.336 4.527 0.001 0.000 0.301 254 F C 2.304 178.253 175.800 0.247 0.000 1.076 254 F CA 1.292 59.460 58.000 0.280 0.000 1.383 254 F CB -0.034 39.051 39.000 0.142 0.000 1.055 254 F HN 0.206 nan 8.300 nan 0.000 0.526 255 E N -0.501 119.823 120.200 0.206 0.000 2.077 255 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 255 E C 2.112 178.642 176.600 -0.117 0.000 0.989 255 E CA 1.669 58.085 56.400 0.026 0.000 0.800 255 E CB -0.704 28.876 29.700 -0.199 0.000 0.746 255 E HN 0.522 nan 8.360 nan 0.000 0.452 256 Y N 0.285 120.621 120.300 0.059 0.000 2.220 256 Y HA -0.125 4.425 4.550 -0.001 0.000 0.291 256 Y C 2.547 178.409 175.900 -0.063 0.000 1.129 256 Y CA 0.525 58.621 58.100 -0.005 0.000 1.161 256 Y CB -0.674 37.783 38.460 -0.006 0.000 0.997 256 Y HN -0.165 nan 8.280 nan 0.000 0.522 257 V N -1.474 118.485 119.914 0.075 0.000 2.295 257 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 257 V C 1.462 177.502 176.094 -0.091 0.000 1.049 257 V CA 2.548 64.825 62.300 -0.040 0.000 1.024 257 V CB -0.435 31.343 31.823 -0.076 0.000 0.648 257 V HN 0.577 nan 8.190 nan 0.000 0.447 258 Y N -3.293 116.747 120.300 -0.435 0.000 3.189 258 Y HA 0.134 4.684 4.550 0.000 0.000 0.213 258 Y C 1.661 177.451 175.900 -0.183 0.000 1.032 258 Y CA -0.248 57.636 58.100 -0.360 0.000 1.482 258 Y CB -0.228 37.887 38.460 -0.576 0.000 1.460 258 Y HN 0.053 nan 8.280 nan 0.000 0.398 259 F N 2.231 122.052 119.950 -0.216 0.000 2.184 259 F HA -0.044 4.483 4.527 -0.000 0.000 0.301 259 F C 1.237 176.976 175.800 -0.102 0.000 1.076 259 F CA 1.395 59.352 58.000 -0.072 0.000 1.295 259 F CB -0.494 38.595 39.000 0.147 0.000 1.026 259 F HN 0.122 nan 8.300 nan 0.000 0.494 260 A N -0.174 122.601 122.820 -0.075 0.000 2.281 260 A HA 0.537 4.857 4.320 -0.000 0.000 0.329 260 A C 0.121 177.552 177.584 -0.254 0.000 1.122 260 A CA -0.747 51.240 52.037 -0.083 0.000 0.850 260 A CB 0.619 19.579 19.000 -0.067 0.000 1.207 260 A HN 0.076 nan 8.150 nan 0.000 0.495 261 R N 0.810 121.132 120.500 -0.295 0.000 2.594 261 R HA 0.178 4.518 4.340 -0.000 0.000 0.272 261 R C -1.644 174.507 176.300 -0.248 0.000 1.074 261 R CA -1.324 54.539 56.100 -0.395 0.000 1.105 261 R CB 0.575 30.643 30.300 -0.386 0.000 1.008 261 R HN 0.542 nan 8.270 nan 0.000 0.472 262 P HA -0.120 nan 4.420 nan 0.000 0.223 262 P C 0.126 177.292 177.300 -0.223 0.000 1.151 262 P CA 1.157 64.157 63.100 -0.165 0.000 0.787 262 P CB 0.184 31.807 31.700 -0.129 0.000 0.788 263 D N -1.135 119.115 120.400 -0.249 0.000 2.325 263 D HA 0.057 4.697 4.640 -0.000 0.000 0.225 263 D C 0.022 176.127 176.300 -0.325 0.000 1.096 263 D CA -0.103 53.730 54.000 -0.280 0.000 0.844 263 D CB -0.279 40.417 40.800 -0.174 0.000 0.925 263 D HN -0.018 nan 8.370 nan 0.000 0.513 264 S N -0.125 115.383 115.700 -0.320 0.000 2.565 264 S HA 0.498 4.967 4.470 -0.000 0.000 0.290 264 S C -0.572 173.799 174.600 -0.382 0.000 1.150 264 S CA -0.654 57.417 58.200 -0.215 0.000 1.058 264 S CB 0.790 63.941 63.200 -0.082 0.000 1.032 264 S HN 0.089 nan 8.310 nan 0.000 0.510 265 F N 2.060 121.991 119.950 -0.032 0.000 2.311 265 F HA 0.468 4.995 4.527 -0.001 0.000 0.371 265 F C -0.061 175.769 175.800 0.051 0.000 1.083 265 F CA -0.513 57.473 58.000 -0.022 0.000 1.113 265 F CB 0.352 39.246 39.000 -0.177 0.000 1.349 265 F HN 0.316 nan 8.300 nan 0.000 0.470 266 I N 3.951 124.664 120.570 0.239 0.000 2.297 266 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 266 I C -0.277 176.038 176.117 0.330 0.000 1.033 266 I CA -0.364 61.068 61.300 0.219 0.000 1.253 266 I CB 0.734 38.743 38.000 0.016 0.000 1.396 266 I HN 0.517 nan 8.210 nan 0.000 0.476 267 D N 6.153 126.721 120.400 0.278 0.000 2.705 267 D HA -0.192 4.448 4.640 -0.000 0.000 0.240 267 D C 0.518 176.959 176.300 0.236 0.000 1.137 267 D CA 0.751 54.897 54.000 0.243 0.000 0.677 267 D CB -0.560 40.375 40.800 0.225 0.000 1.049 267 D HN 0.771 nan 8.370 nan 0.000 0.427 268 K N -1.834 118.712 120.400 0.242 0.000 3.274 268 K HA -0.230 4.090 4.320 -0.000 0.000 0.300 268 K C 0.316 177.055 176.600 0.232 0.000 1.230 268 K CA 1.057 57.460 56.287 0.193 0.000 0.884 268 K CB -1.064 31.515 32.500 0.132 0.000 1.242 268 K HN 0.499 nan 8.250 nan 0.000 0.467 269 I N 0.864 121.618 120.570 0.308 0.000 2.378 269 I HA 0.089 4.259 4.170 -0.000 0.000 0.291 269 I C 0.535 176.840 176.117 0.314 0.000 0.992 269 I CA -0.623 60.846 61.300 0.282 0.000 1.154 269 I CB 1.854 39.985 38.000 0.219 0.000 1.315 269 I HN -0.029 nan 8.210 nan 0.000 0.448 270 S N 4.436 120.282 115.700 0.244 0.000 2.510 270 S HA 0.148 4.617 4.470 -0.000 0.000 0.279 270 S C 1.210 175.781 174.600 -0.047 0.000 1.284 270 S CA -0.616 57.515 58.200 -0.114 0.000 1.059 270 S CB 0.933 64.119 63.200 -0.025 0.000 0.901 270 S HN 0.429 nan 8.310 nan 0.000 0.491 271 V N 6.422 126.275 119.914 -0.102 0.000 2.332 271 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 271 V C 1.861 177.973 176.094 0.031 0.000 1.055 271 V CA 2.158 64.481 62.300 0.038 0.000 1.038 271 V CB -1.278 30.517 31.823 -0.046 0.000 0.651 271 V HN 0.990 nan 8.190 nan 0.000 0.450 272 Y N 1.900 122.101 120.300 -0.164 0.000 2.030 272 Y HA -0.298 4.250 4.550 -0.003 0.000 0.274 272 Y C 2.805 178.656 175.900 -0.082 0.000 1.153 272 Y CA 1.801 59.825 58.100 -0.127 0.000 1.115 272 Y CB -0.911 37.460 38.460 -0.147 0.000 0.969 272 Y HN 0.238 nan 8.280 nan 0.000 0.488 273 S N 0.693 116.250 115.700 -0.238 0.000 2.365 273 S HA -0.274 4.196 4.470 -0.000 0.000 0.225 273 S C 2.301 176.780 174.600 -0.202 0.000 1.039 273 S CA 1.496 59.518 58.200 -0.297 0.000 1.033 273 S CB -1.130 62.001 63.200 -0.115 0.000 0.887 273 S HN 0.660 nan 8.310 nan 0.000 0.447 274 A N 1.308 124.063 122.820 -0.109 0.000 1.978 274 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 274 A C 2.158 179.676 177.584 -0.110 0.000 1.170 274 A CA 1.719 53.691 52.037 -0.108 0.000 0.636 274 A CB -0.454 18.496 19.000 -0.083 0.000 0.810 274 A HN 0.354 nan 8.150 nan 0.000 0.448 275 R N -0.943 119.501 120.500 -0.094 0.000 2.115 275 R HA 0.000 4.340 4.340 -0.000 0.000 0.226 275 R C 1.944 178.170 176.300 -0.125 0.000 1.100 275 R CA 1.286 57.340 56.100 -0.076 0.000 0.980 275 R CB -0.358 29.933 30.300 -0.014 0.000 0.875 275 R HN 0.356 nan 8.270 nan 0.000 0.445 276 V N 1.344 121.125 119.914 -0.221 0.000 2.379 276 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 276 V C 1.444 177.440 176.094 -0.163 0.000 1.044 276 V CA 1.752 63.916 62.300 -0.228 0.000 1.036 276 V CB -0.509 31.099 31.823 -0.358 0.000 0.664 276 V HN 0.362 nan 8.190 nan 0.000 0.453 277 N N 0.185 118.790 118.700 -0.158 0.000 2.272 277 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 277 N C 1.707 177.149 175.510 -0.114 0.000 1.014 277 N CA 1.410 54.385 53.050 -0.126 0.000 0.870 277 N CB -0.418 37.996 38.487 -0.121 0.000 0.975 277 N HN 0.458 nan 8.380 nan 0.000 0.433 278 M N -0.272 119.259 119.600 -0.114 0.000 2.296 278 M HA -0.015 4.465 4.480 -0.000 0.000 0.265 278 M C 2.110 178.356 176.300 -0.090 0.000 1.064 278 M CA 1.331 56.569 55.300 -0.104 0.000 1.109 278 M CB -0.367 32.178 32.600 -0.091 0.000 1.396 278 M HN 0.182 nan 8.290 nan 0.000 0.430 279 G N -0.003 108.746 108.800 -0.086 0.000 2.395 279 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.214 279 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.214 279 G C 1.440 176.296 174.900 -0.074 0.000 1.177 279 G CA 1.098 46.155 45.100 -0.072 0.000 0.794 279 G HN 0.358 nan 8.290 nan 0.000 0.532 280 T N 1.553 116.058 114.554 -0.082 0.000 2.665 280 T HA -0.112 4.237 4.350 -0.000 0.000 0.268 280 T C 2.341 176.997 174.700 -0.074 0.000 1.035 280 T CA 1.354 63.409 62.100 -0.075 0.000 1.151 280 T CB -0.109 68.712 68.868 -0.078 0.000 0.862 280 T HN 0.099 nan 8.240 nan 0.000 0.438 281 K N 0.753 121.103 120.400 -0.083 0.000 2.057 281 K HA 0.073 4.393 4.320 -0.000 0.000 0.207 281 K C 2.222 178.768 176.600 -0.091 0.000 1.049 281 K CA 0.734 56.970 56.287 -0.085 0.000 0.931 281 K CB -0.773 31.671 32.500 -0.094 0.000 0.714 281 K HN 0.247 nan 8.250 nan 0.000 0.440 282 L N 0.624 121.791 121.223 -0.094 0.000 2.217 282 L HA 0.035 4.375 4.340 -0.000 0.000 0.211 282 L C 1.984 178.790 176.870 -0.107 0.000 1.107 282 L CA 1.612 56.387 54.840 -0.108 0.000 0.783 282 L CB -0.764 41.234 42.059 -0.101 0.000 0.919 282 L HN 0.176 nan 8.230 nan 0.000 0.442 283 G N -1.236 107.517 108.800 -0.079 0.000 2.394 283 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.215 283 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.215 283 G C 1.432 176.293 174.900 -0.065 0.000 1.165 283 G CA 0.557 45.620 45.100 -0.062 0.000 0.784 283 G HN 0.465 nan 8.290 nan 0.000 0.535 284 E N 0.109 120.269 120.200 -0.066 0.000 2.085 284 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 284 E C 2.309 178.864 176.600 -0.076 0.000 0.994 284 E CA 1.084 57.447 56.400 -0.060 0.000 0.801 284 E CB -0.079 29.587 29.700 -0.057 0.000 0.743 284 E HN 0.452 nan 8.360 nan 0.000 0.453 285 K N 0.819 121.157 120.400 -0.104 0.000 2.211 285 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 285 K C 1.899 178.385 176.600 -0.190 0.000 1.050 285 K CA 0.847 57.051 56.287 -0.138 0.000 0.945 285 K CB 0.072 32.477 32.500 -0.159 0.000 0.732 285 K HN 0.096 nan 8.250 nan 0.000 0.451 286 I N 0.595 121.053 120.570 -0.185 0.000 2.277 286 I HA -0.142 4.027 4.170 -0.000 0.000 0.243 286 I C 2.429 178.520 176.117 -0.045 0.000 1.094 286 I CA 0.834 62.016 61.300 -0.196 0.000 1.393 286 I CB -0.406 37.517 38.000 -0.129 0.000 1.078 286 I HN 0.175 nan 8.210 nan 0.000 0.417 287 A N 1.198 124.001 122.820 -0.028 0.000 1.986 287 A HA -0.225 4.094 4.320 -0.000 0.000 0.220 287 A C 2.385 179.973 177.584 0.006 0.000 1.171 287 A CA 1.666 53.704 52.037 0.002 0.000 0.640 287 A CB -0.537 18.456 19.000 -0.010 0.000 0.811 287 A HN 0.368 nan 8.150 nan 0.000 0.451 288 R N -0.632 119.856 120.500 -0.019 0.000 2.048 288 R HA -0.012 4.328 4.340 -0.000 0.000 0.224 288 R C 1.837 178.144 176.300 0.012 0.000 1.163 288 R CA 1.282 57.375 56.100 -0.011 0.000 0.956 288 R CB -0.407 29.873 30.300 -0.033 0.000 0.849 288 R HN 0.632 nan 8.270 nan 0.000 0.435 289 E N -0.571 119.613 120.200 -0.026 0.000 2.482 289 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 289 E C -0.180 176.581 176.600 0.268 0.000 1.047 289 E CA 0.421 56.832 56.400 0.019 0.000 0.869 289 E CB 0.265 29.887 29.700 -0.131 0.000 0.836 289 E HN 0.332 nan 8.360 nan 0.000 0.520 290 W N 1.921 123.195 121.300 -0.044 0.000 1.485 290 W HA 0.175 4.835 4.660 0.000 0.000 0.305 290 W C 0.499 176.977 176.519 -0.069 0.000 0.879 290 W CA -1.181 56.123 57.345 -0.068 0.000 1.822 290 W CB -0.173 29.224 29.460 -0.106 0.000 1.990 290 W HN 0.090 nan 8.180 nan 0.000 0.441 291 E N -1.412 118.870 120.200 0.136 0.000 2.285 291 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 291 E C 0.357 176.974 176.600 0.027 0.000 0.997 291 E CA 0.968 57.407 56.400 0.065 0.000 0.845 291 E CB 0.277 30.004 29.700 0.044 0.000 0.782 291 E HN -0.035 nan 8.360 nan 0.000 0.491 292 D N 1.037 121.441 120.400 0.007 0.000 2.325 292 D HA 0.088 4.728 4.640 -0.000 0.000 0.225 292 D C 0.120 176.368 176.300 -0.088 0.000 1.096 292 D CA 0.001 53.981 54.000 -0.033 0.000 0.844 292 D CB 0.232 41.010 40.800 -0.036 0.000 0.925 292 D HN 0.174 nan 8.370 nan 0.000 0.513 293 L N 1.773 122.931 121.223 -0.109 0.000 2.418 293 L HA 0.067 4.407 4.340 -0.000 0.000 0.274 293 L C -0.267 176.514 176.870 -0.149 0.000 1.135 293 L CA 0.326 55.026 54.840 -0.233 0.000 0.870 293 L CB 0.651 42.577 42.059 -0.222 0.000 1.154 293 L HN -0.187 nan 8.230 nan 0.000 0.462 294 D N 6.158 126.477 120.400 -0.136 0.000 2.412 294 D HA 0.427 5.067 4.640 -0.000 0.000 0.224 294 D C -0.343 175.969 176.300 0.020 0.000 1.093 294 D CA -0.266 53.712 54.000 -0.037 0.000 0.850 294 D CB 0.510 41.308 40.800 -0.003 0.000 1.046 294 D HN 0.445 nan 8.370 nan 0.000 0.507 295 I N -0.594 119.987 120.570 0.019 0.000 3.002 295 I HA 0.575 4.745 4.170 -0.000 0.000 0.310 295 I C -0.299 175.844 176.117 0.043 0.000 1.087 295 I CA -0.764 60.581 61.300 0.076 0.000 1.017 295 I CB 2.548 40.595 38.000 0.078 0.000 1.226 295 I HN -0.047 nan 8.210 nan 0.000 0.443 296 D N 1.564 121.986 120.400 0.038 0.000 2.454 296 D HA 0.275 4.914 4.640 -0.000 0.000 0.214 296 D C -0.061 176.233 176.300 -0.010 0.000 1.088 296 D CA 0.728 54.733 54.000 0.008 0.000 0.855 296 D CB 2.110 42.907 40.800 -0.004 0.000 1.025 296 D HN 0.311 nan 8.370 nan 0.000 0.502 297 V N 0.420 120.328 119.914 -0.010 0.000 3.236 297 V HA 0.278 4.398 4.120 -0.000 0.000 0.287 297 V C -1.857 174.228 176.094 -0.014 0.000 1.491 297 V CA -0.724 61.555 62.300 -0.035 0.000 1.037 297 V CB 2.455 34.210 31.823 -0.114 0.000 1.160 297 V HN -0.243 nan 8.190 nan 0.000 0.453 298 V N 5.717 125.631 119.914 0.000 0.000 2.417 298 V HA 0.608 4.728 4.120 -0.000 0.000 0.291 298 V C -0.286 175.779 176.094 -0.048 0.000 1.024 298 V CA -0.328 61.999 62.300 0.045 0.000 0.861 298 V CB 1.458 33.360 31.823 0.131 0.000 0.985 298 V HN 0.635 nan 8.190 nan 0.000 0.436 299 I N 7.701 128.248 120.570 -0.037 0.000 2.439 299 I HA 0.410 4.580 4.170 -0.000 0.000 0.285 299 I C -2.379 173.788 176.117 0.084 0.000 1.021 299 I CA -1.889 59.355 61.300 -0.095 0.000 1.091 299 I CB 2.904 40.808 38.000 -0.160 0.000 1.242 299 I HN 0.450 nan 8.210 nan 0.000 0.439 300 P HA 0.308 nan 4.420 nan 0.000 0.279 300 P C -0.681 176.747 177.300 0.214 0.000 1.252 300 P CA -0.291 62.913 63.100 0.173 0.000 0.811 300 P CB 1.548 33.380 31.700 0.220 0.000 1.035 301 I N 3.170 123.827 120.570 0.145 0.000 2.307 301 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 301 I C -2.106 174.045 176.117 0.056 0.000 1.054 301 I CA -2.633 58.699 61.300 0.053 0.000 1.218 301 I CB 0.989 38.963 38.000 -0.043 0.000 1.398 301 I HN 0.099 nan 8.210 nan 0.000 0.475 302 P HA -0.000 nan 4.420 nan 0.000 0.267 302 P C 0.164 177.492 177.300 0.046 0.000 1.201 302 P CA 0.245 63.384 63.100 0.066 0.000 0.775 302 P CB 0.878 32.622 31.700 0.073 0.000 0.854 303 E N 0.357 120.581 120.200 0.041 0.000 2.132 303 E HA -0.065 4.284 4.350 -0.000 0.000 0.193 303 E C 1.638 178.255 176.600 0.028 0.000 0.951 303 E CA 0.844 57.257 56.400 0.023 0.000 0.843 303 E CB -0.573 29.112 29.700 -0.025 0.000 0.807 303 E HN 0.466 nan 8.360 nan 0.000 0.467 304 T N 1.644 116.214 114.554 0.027 0.000 2.635 304 T HA -0.232 4.118 4.350 -0.000 0.000 0.265 304 T C 1.989 176.718 174.700 0.050 0.000 1.058 304 T CA 1.967 64.084 62.100 0.029 0.000 1.162 304 T CB -0.469 68.459 68.868 0.100 0.000 0.859 304 T HN 0.042 nan 8.240 nan 0.000 0.449 305 S N 0.346 116.089 115.700 0.071 0.000 2.603 305 S HA 0.008 4.478 4.470 -0.000 0.000 0.229 305 S C 2.228 176.891 174.600 0.106 0.000 0.972 305 S CA 0.139 58.386 58.200 0.077 0.000 0.935 305 S CB -0.817 62.430 63.200 0.079 0.000 0.769 305 S HN 0.573 nan 8.310 nan 0.000 0.536 306 C N 2.249 121.615 119.300 0.110 0.000 2.413 306 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 306 C C 2.410 177.464 174.990 0.106 0.000 1.236 306 C CA 0.624 59.737 59.018 0.160 0.000 1.735 306 C CB -0.896 26.926 27.740 0.135 0.000 2.031 306 C HN 0.604 nan 8.230 nan 0.000 0.474 307 D N 0.081 120.519 120.400 0.063 0.000 2.289 307 D HA 0.066 4.705 4.640 -0.000 0.000 0.207 307 D C 1.957 178.244 176.300 -0.021 0.000 0.966 307 D CA 0.695 54.708 54.000 0.022 0.000 0.868 307 D CB -0.118 40.776 40.800 0.156 0.000 0.943 307 D HN 0.498 nan 8.370 nan 0.000 0.514 308 I N 1.601 122.176 120.570 0.008 0.000 2.202 308 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 308 I C 2.639 178.756 176.117 -0.001 0.000 1.091 308 I CA 0.926 62.218 61.300 -0.012 0.000 1.368 308 I CB -0.185 37.817 38.000 0.003 0.000 1.058 308 I HN -0.100 nan 8.210 nan 0.000 0.410 309 A N 0.678 123.533 122.820 0.058 0.000 1.902 309 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 309 A C 2.252 179.874 177.584 0.065 0.000 1.181 309 A CA 1.554 53.666 52.037 0.125 0.000 0.623 309 A CB -0.842 18.322 19.000 0.273 0.000 0.818 309 A HN 0.391 nan 8.150 nan 0.000 0.443 310 L N 0.022 121.154 121.223 -0.152 0.000 2.042 310 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 310 L C 2.249 179.010 176.870 -0.183 0.000 1.076 310 L CA 2.853 57.427 54.840 -0.444 0.000 0.749 310 L CB -0.705 41.003 42.059 -0.586 0.000 0.893 310 L HN 0.531 nan 8.230 nan 0.000 0.432 311 E N -0.108 120.021 120.200 -0.118 0.000 2.047 311 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 311 E C 2.143 178.712 176.600 -0.051 0.000 0.987 311 E CA 1.823 58.172 56.400 -0.085 0.000 0.799 311 E CB -0.404 29.243 29.700 -0.089 0.000 0.752 311 E HN 0.597 nan 8.360 nan 0.000 0.449 312 I N 0.589 121.142 120.570 -0.028 0.000 2.264 312 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 312 I C 2.354 178.478 176.117 0.012 0.000 1.111 312 I CA 1.078 62.373 61.300 -0.008 0.000 1.382 312 I CB -0.500 37.506 38.000 0.011 0.000 1.060 312 I HN 0.230 nan 8.210 nan 0.000 0.418 313 A N 0.676 123.514 122.820 0.030 0.000 1.873 313 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 313 A C 2.468 180.061 177.584 0.015 0.000 1.186 313 A CA 1.458 53.525 52.037 0.049 0.000 0.616 313 A CB -0.625 18.438 19.000 0.105 0.000 0.823 313 A HN 0.286 nan 8.150 nan 0.000 0.442 314 R N -0.492 120.000 120.500 -0.014 0.000 2.097 314 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 314 R C 1.995 178.285 176.300 -0.016 0.000 1.135 314 R CA 1.982 58.069 56.100 -0.022 0.000 0.934 314 R CB -0.439 29.835 30.300 -0.043 0.000 0.846 314 R HN 0.458 nan 8.270 nan 0.000 0.431 315 I N 1.288 121.846 120.570 -0.021 0.000 2.118 315 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 315 I C 2.243 178.355 176.117 -0.008 0.000 1.070 315 I CA 1.492 62.780 61.300 -0.020 0.000 1.327 315 I CB -1.071 36.912 38.000 -0.028 0.000 1.034 315 I HN 0.295 nan 8.210 nan 0.000 0.405 316 L N 0.442 121.666 121.223 0.001 0.000 2.610 316 L HA 0.067 4.406 4.340 -0.000 0.000 0.232 316 L C 1.576 178.453 176.870 0.012 0.000 1.149 316 L CA 0.561 55.408 54.840 0.011 0.000 0.872 316 L CB -0.863 41.210 42.059 0.024 0.000 0.992 316 L HN 0.516 nan 8.230 nan 0.000 0.447 317 G N 0.354 109.159 108.800 0.008 0.000 2.233 317 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.270 317 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.270 317 G C 0.379 175.288 174.900 0.015 0.000 1.011 317 G CA 0.410 45.515 45.100 0.008 0.000 0.762 317 G HN 0.217 nan 8.290 nan 0.000 0.511 318 K N 0.247 120.662 120.400 0.024 0.000 2.139 318 K HA 0.553 4.873 4.320 -0.000 0.000 0.243 318 K C -2.095 174.531 176.600 0.043 0.000 0.983 318 K CA -1.997 54.307 56.287 0.029 0.000 0.890 318 K CB 1.471 33.992 32.500 0.034 0.000 1.090 318 K HN 0.121 nan 8.250 nan 0.000 0.445 319 P HA 0.135 nan 4.420 nan 0.000 0.278 319 P C -1.191 176.162 177.300 0.088 0.000 1.238 319 P CA -0.239 62.893 63.100 0.053 0.000 0.794 319 P CB 0.490 32.200 31.700 0.016 0.000 0.955 320 Y N 2.971 123.256 120.300 -0.024 0.000 2.335 320 Y HA 0.599 5.151 4.550 0.002 0.000 0.338 320 Y C -0.266 175.612 175.900 -0.037 0.000 0.977 320 Y CA -0.757 57.328 58.100 -0.025 0.000 1.114 320 Y CB 1.342 39.796 38.460 -0.011 0.000 1.182 320 Y HN 0.310 nan 8.280 nan 0.000 0.463 321 R N 2.796 122.947 120.500 -0.582 0.000 2.771 321 R HA 0.367 4.707 4.340 -0.000 0.000 0.274 321 R C -1.402 174.523 176.300 -0.625 0.000 0.987 321 R CA -0.716 55.092 56.100 -0.487 0.000 0.908 321 R CB 1.643 31.764 30.300 -0.299 0.000 1.213 321 R HN 0.624 nan 8.270 nan 0.000 0.468 322 Q N 1.525 121.089 119.800 -0.393 0.000 2.566 322 Q HA 0.213 4.553 4.340 -0.000 0.000 0.221 322 Q C 0.424 176.315 176.000 -0.182 0.000 1.195 322 Q CA 0.059 55.711 55.803 -0.252 0.000 0.967 322 Q CB 1.443 30.116 28.738 -0.107 0.000 1.337 322 Q HN 0.961 nan 8.270 nan 0.000 0.553 323 G N 1.233 109.881 108.800 -0.254 0.000 2.712 323 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.212 323 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.212 323 G C 0.112 174.936 174.900 -0.126 0.000 1.142 323 G CA 0.247 45.168 45.100 -0.298 0.000 0.789 323 G HN 0.302 nan 8.290 nan 0.000 0.535 324 F N -0.496 119.543 119.950 0.148 0.000 2.551 324 F HA 0.610 5.137 4.527 -0.001 0.000 0.316 324 F C -0.412 175.428 175.800 0.068 0.000 1.089 324 F CA -1.152 56.927 58.000 0.131 0.000 0.915 324 F CB 2.592 41.665 39.000 0.122 0.000 1.186 324 F HN -0.264 nan 8.300 nan 0.000 0.456 325 V N 2.909 122.988 119.914 0.274 0.000 2.495 325 V HA 0.359 4.479 4.120 -0.000 0.000 0.298 325 V C -0.340 175.831 176.094 0.128 0.000 1.031 325 V CA -1.254 61.138 62.300 0.154 0.000 0.871 325 V CB 1.850 33.736 31.823 0.104 0.000 0.988 325 V HN 0.605 nan 8.190 nan 0.000 0.432 326 K N 3.892 124.341 120.400 0.083 0.000 2.276 326 K HA 0.282 4.601 4.320 -0.000 0.000 0.285 326 K C -0.146 176.472 176.600 0.029 0.000 1.062 326 K CA -0.572 55.743 56.287 0.046 0.000 0.918 326 K CB 0.425 32.939 32.500 0.023 0.000 1.055 326 K HN 0.657 nan 8.250 nan 0.000 0.477 327 N N 3.782 122.503 118.700 0.035 0.000 2.452 327 N HA -0.055 4.685 4.740 -0.000 0.000 0.266 327 N C 0.767 176.267 175.510 -0.017 0.000 1.209 327 N CA 0.239 53.312 53.050 0.039 0.000 0.929 327 N CB 0.998 39.524 38.487 0.065 0.000 1.063 327 N HN 0.599 nan 8.380 nan 0.000 0.472 328 R N 2.270 122.719 120.500 -0.084 0.000 2.235 328 R HA -0.044 4.296 4.340 -0.000 0.000 0.213 328 R C -0.479 175.534 176.300 -0.477 0.000 1.059 328 R CA 1.081 56.989 56.100 -0.319 0.000 0.997 328 R CB 0.197 30.200 30.300 -0.496 0.000 0.884 328 R HN 0.523 nan 8.270 nan 0.000 0.462 329 Y N -1.128 119.185 120.300 0.020 0.000 2.442 329 Y HA 0.481 5.031 4.550 0.000 0.000 0.344 329 Y C -0.640 175.272 175.900 0.021 0.000 0.976 329 Y CA -1.043 57.069 58.100 0.020 0.000 1.040 329 Y CB 2.405 40.879 38.460 0.023 0.000 1.228 329 Y HN -0.366 nan 8.280 nan 0.000 0.451 330 V N 1.767 121.769 119.914 0.146 0.000 2.841 330 V HA 0.891 5.011 4.120 -0.000 0.000 0.310 330 V C -0.002 176.139 176.094 0.078 0.000 1.090 330 V CA -0.752 61.602 62.300 0.090 0.000 0.930 330 V CB 1.989 33.840 31.823 0.046 0.000 1.014 330 V HN 0.963 nan 8.190 nan 0.000 0.425 331 G N 2.444 111.283 108.800 0.064 0.000 2.735 331 G HA2 0.698 4.658 3.960 -0.000 0.000 0.301 331 G HA3 0.698 4.658 3.960 -0.000 0.000 0.301 331 G C -0.657 174.233 174.900 -0.017 0.000 1.279 331 G CA -1.080 44.049 45.100 0.049 0.000 1.019 331 G HN 0.837 nan 8.290 nan 0.000 0.497 332 R N -1.118 119.310 120.500 -0.120 0.000 2.531 332 R HA 0.567 4.907 4.340 -0.000 0.000 0.273 332 R C -0.762 175.339 176.300 -0.333 0.000 1.070 332 R CA -0.408 55.494 56.100 -0.330 0.000 1.112 332 R CB 0.669 30.612 30.300 -0.595 0.000 1.049 332 R HN 0.235 nan 8.270 nan 0.000 0.508 333 T N 2.926 117.326 114.554 -0.256 0.000 2.744 333 T HA 0.342 4.692 4.350 -0.000 0.000 0.291 333 T C -0.678 173.926 174.700 -0.161 0.000 0.957 333 T CA -0.318 61.740 62.100 -0.070 0.000 1.002 333 T CB 0.081 68.934 68.868 -0.024 0.000 0.919 333 T HN 0.275 nan 8.240 nan 0.000 0.468 334 F N 2.602 122.552 119.950 0.000 0.000 2.370 334 F HA 0.435 4.962 4.527 -0.000 0.000 0.319 334 F C 1.352 177.151 175.800 -0.002 0.000 1.129 334 F CA -1.508 56.491 58.000 -0.001 0.000 1.109 334 F CB 0.498 39.497 39.000 -0.001 0.000 1.262 334 F HN 0.478 nan 8.300 nan 0.000 0.534 335 I N 0.667 121.348 120.570 0.184 0.000 2.320 335 I HA 0.238 4.408 4.170 -0.000 0.000 0.283 335 I C -0.295 175.879 176.117 0.095 0.000 1.086 335 I CA -0.336 61.023 61.300 0.099 0.000 1.539 335 I CB -0.519 37.516 38.000 0.058 0.000 1.504 335 I HN 0.284 nan 8.210 nan 0.000 0.661 346 V N 2.215 122.122 119.914 -0.012 0.000 3.307 346 V HA 0.278 4.398 4.120 -0.000 0.000 0.253 346 V C 1.964 178.049 176.094 -0.014 0.000 1.149 346 V CA 1.046 63.333 62.300 -0.022 0.000 1.112 346 V CB -0.082 31.713 31.823 -0.047 0.000 0.777 346 V HN 0.366 nan 8.190 nan 0.000 0.464 347 R N -0.216 120.284 120.500 -0.001 0.000 2.193 347 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 347 R C 2.259 178.573 176.300 0.023 0.000 1.110 347 R CA 1.015 57.124 56.100 0.015 0.000 0.988 347 R CB -0.036 30.273 30.300 0.015 0.000 0.871 347 R HN 0.337 nan 8.270 nan 0.000 0.458 348 R N 0.150 120.661 120.500 0.019 0.000 2.148 348 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 348 R C 1.544 177.861 176.300 0.029 0.000 1.088 348 R CA 1.172 57.288 56.100 0.027 0.000 0.985 348 R CB 0.083 30.396 30.300 0.022 0.000 0.880 348 R HN 0.269 nan 8.270 nan 0.000 0.451 349 K N -0.643 119.767 120.400 0.017 0.000 2.287 349 K HA 0.232 4.552 4.320 -0.000 0.000 0.199 349 K C 0.662 177.272 176.600 0.017 0.000 1.061 349 K CA 0.413 56.708 56.287 0.013 0.000 0.976 349 K CB 0.562 33.061 32.500 -0.001 0.000 0.898 349 K HN -0.040 nan 8.250 nan 0.000 0.492 350 L N 0.632 121.863 121.223 0.012 0.000 2.354 350 L HA 0.380 4.720 4.340 -0.000 0.000 0.264 350 L C -1.093 175.839 176.870 0.103 0.000 1.008 350 L CA -1.142 53.722 54.840 0.040 0.000 0.819 350 L CB 1.949 43.973 42.059 -0.059 0.000 1.339 350 L HN -0.047 nan 8.230 nan 0.000 0.420 351 N N 0.783 119.590 118.700 0.180 0.000 2.295 351 N HA 0.621 5.361 4.740 -0.000 0.000 0.293 351 N C -1.056 174.607 175.510 0.255 0.000 1.040 351 N CA -0.307 52.846 53.050 0.172 0.000 0.840 351 N CB 2.145 40.694 38.487 0.104 0.000 1.468 351 N HN 0.692 nan 8.380 nan 0.000 0.478 352 A N 2.678 125.590 122.820 0.153 0.000 2.328 352 A HA 0.293 4.613 4.320 -0.000 0.000 0.284 352 A C 0.043 177.600 177.584 -0.045 0.000 1.160 352 A CA -0.533 51.444 52.037 -0.100 0.000 0.818 352 A CB 0.127 18.838 19.000 -0.480 0.000 1.087 352 A HN 0.730 nan 8.150 nan 0.000 0.504 353 N N 2.347 121.070 118.700 0.039 0.000 2.968 353 N HA 0.038 4.778 4.740 -0.000 0.000 0.271 353 N C 1.188 176.774 175.510 0.127 0.000 1.174 353 N CA -0.113 52.977 53.050 0.066 0.000 1.096 353 N CB -0.381 38.131 38.487 0.042 0.000 1.403 353 N HN 0.714 nan 8.380 nan 0.000 0.522 354 R N 1.354 121.889 120.500 0.058 0.000 2.311 354 R HA -0.325 4.015 4.340 -0.000 0.000 0.255 354 R C 1.723 178.100 176.300 0.128 0.000 1.101 354 R CA 2.604 58.744 56.100 0.067 0.000 0.948 354 R CB -0.723 29.581 30.300 0.008 0.000 0.943 354 R HN 0.547 nan 8.270 nan 0.000 0.448 355 A N 0.936 123.794 122.820 0.063 0.000 1.986 355 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 355 A C 1.680 179.259 177.584 -0.008 0.000 1.171 355 A CA 1.559 53.610 52.037 0.024 0.000 0.640 355 A CB -0.257 18.742 19.000 -0.001 0.000 0.811 355 A HN 0.268 nan 8.150 nan 0.000 0.451 356 E N -1.381 118.796 120.200 -0.038 0.000 2.482 356 E HA 0.017 4.367 4.350 -0.000 0.000 0.196 356 E C 0.593 176.915 176.600 -0.462 0.000 1.047 356 E CA 0.547 56.785 56.400 -0.271 0.000 0.869 356 E CB -0.188 29.249 29.700 -0.439 0.000 0.836 356 E HN 0.784 nan 8.360 nan 0.000 0.520 357 F N -0.199 119.676 119.950 -0.125 0.000 2.740 357 F HA 0.228 4.755 4.527 0.000 0.000 0.304 357 F C 1.128 176.884 175.800 -0.073 0.000 1.098 357 F CA -0.627 57.307 58.000 -0.110 0.000 1.258 357 F CB 0.209 39.126 39.000 -0.139 0.000 1.061 357 F HN -0.252 nan 8.300 nan 0.000 0.598 358 R N 2.466 123.039 120.500 0.123 0.000 2.513 358 R HA -0.093 4.247 4.340 -0.000 0.000 0.333 358 R C -0.227 176.090 176.300 0.028 0.000 0.925 358 R CA 0.783 56.918 56.100 0.059 0.000 1.072 358 R CB -0.625 29.695 30.300 0.034 0.000 0.914 358 R HN 0.256 nan 8.270 nan 0.000 0.408 359 D N 2.774 123.190 120.400 0.027 0.000 2.689 359 D HA -0.204 4.436 4.640 -0.000 0.000 0.237 359 D C -0.870 175.435 176.300 0.008 0.000 1.148 359 D CA 1.367 55.374 54.000 0.013 0.000 0.656 359 D CB -0.245 40.558 40.800 0.005 0.000 1.050 359 D HN 0.551 nan 8.370 nan 0.000 0.426 360 K N 0.204 120.612 120.400 0.014 0.000 2.435 360 K HA 0.349 4.669 4.320 -0.000 0.000 0.251 360 K C -0.264 176.347 176.600 0.019 0.000 0.954 360 K CA -0.800 55.488 56.287 0.002 0.000 0.820 360 K CB 1.585 34.065 32.500 -0.033 0.000 1.292 360 K HN -0.100 nan 8.250 nan 0.000 0.436 361 N N 1.861 120.581 118.700 0.033 0.000 2.426 361 N HA 0.271 5.011 4.740 -0.000 0.000 0.275 361 N C -0.715 174.855 175.510 0.100 0.000 1.019 361 N CA -0.292 52.802 53.050 0.072 0.000 0.941 361 N CB 1.705 40.270 38.487 0.129 0.000 1.123 361 N HN 0.354 nan 8.380 nan 0.000 0.486 362 V N -0.075 119.906 119.914 0.112 0.000 2.914 362 V HA 0.644 4.764 4.120 -0.000 0.000 0.314 362 V C -0.664 175.581 176.094 0.251 0.000 1.084 362 V CA -1.086 61.291 62.300 0.129 0.000 0.963 362 V CB 2.078 33.930 31.823 0.048 0.000 1.025 362 V HN 0.387 nan 8.190 nan 0.000 0.432 363 L N 4.248 125.597 121.223 0.210 0.000 2.318 363 L HA 0.614 4.954 4.340 -0.000 0.000 0.277 363 L C -0.738 176.243 176.870 0.185 0.000 1.008 363 L CA -0.243 54.748 54.840 0.252 0.000 0.846 363 L CB 0.892 43.079 42.059 0.214 0.000 1.220 363 L HN 0.746 nan 8.230 nan 0.000 0.423 364 L N 5.893 127.239 121.223 0.205 0.000 2.290 364 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 364 L C -0.341 176.612 176.870 0.139 0.000 1.078 364 L CA -0.762 54.193 54.840 0.192 0.000 0.815 364 L CB 1.408 43.605 42.059 0.230 0.000 1.162 364 L HN 0.311 nan 8.230 nan 0.000 0.435 365 V N 1.950 121.937 119.914 0.122 0.000 2.532 365 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 365 V C -0.439 175.692 176.094 0.062 0.000 1.041 365 V CA -0.442 61.905 62.300 0.078 0.000 0.926 365 V CB 1.928 33.802 31.823 0.086 0.000 0.992 365 V HN 0.682 nan 8.190 nan 0.000 0.457 366 D N 0.737 121.151 120.400 0.025 0.000 2.736 366 D HA 0.234 4.874 4.640 -0.000 0.000 0.223 366 D C 0.256 176.566 176.300 0.017 0.000 1.231 366 D CA -0.382 53.630 54.000 0.020 0.000 0.818 366 D CB 2.296 43.094 40.800 -0.002 0.000 1.587 366 D HN 0.671 nan 8.370 nan 0.000 0.463 367 D N 0.691 121.118 120.400 0.045 0.000 2.149 367 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 367 D C 0.327 176.664 176.300 0.062 0.000 0.990 367 D CA 1.164 55.200 54.000 0.060 0.000 0.839 367 D CB 0.089 40.968 40.800 0.132 0.000 0.948 367 D HN 0.301 nan 8.370 nan 0.000 0.460 368 S N -1.664 114.070 115.700 0.056 0.000 2.656 368 S HA 0.537 5.007 4.470 -0.000 0.000 0.265 368 S C -1.341 173.315 174.600 0.093 0.000 1.132 368 S CA -1.186 57.087 58.200 0.123 0.000 0.819 368 S CB 1.016 64.343 63.200 0.213 0.000 1.119 368 S HN 0.127 nan 8.310 nan 0.000 0.476 369 I N 1.544 122.214 120.570 0.166 0.000 2.563 369 I HA 0.325 4.495 4.170 -0.000 0.000 0.281 369 I C 0.329 176.541 176.117 0.158 0.000 1.110 369 I CA -0.598 60.786 61.300 0.140 0.000 1.073 369 I CB 1.857 39.965 38.000 0.180 0.000 1.215 369 I HN 0.627 nan 8.210 nan 0.000 0.460 370 V N 6.275 126.244 119.914 0.091 0.000 2.599 370 V HA 0.179 4.299 4.120 -0.000 0.000 0.237 370 V C 1.812 177.930 176.094 0.040 0.000 1.081 370 V CA 0.956 63.292 62.300 0.059 0.000 1.107 370 V CB 0.280 32.118 31.823 0.025 0.000 0.808 370 V HN 0.764 nan 8.190 nan 0.000 0.486 371 R N -0.367 120.151 120.500 0.030 0.000 2.206 371 R HA 0.335 4.675 4.340 -0.000 0.000 0.198 371 R C 1.807 178.125 176.300 0.031 0.000 0.986 371 R CA 0.884 56.997 56.100 0.021 0.000 1.029 371 R CB 0.508 30.814 30.300 0.009 0.000 0.966 371 R HN 0.747 nan 8.270 nan 0.000 0.487 372 G N 0.203 109.026 108.800 0.039 0.000 2.358 372 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.224 372 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.224 372 G C 1.122 176.035 174.900 0.021 0.000 1.073 372 G CA 0.586 45.711 45.100 0.041 0.000 0.635 372 G HN 0.290 nan 8.290 nan 0.000 0.509 373 T N 1.543 116.104 114.554 0.012 0.000 2.597 373 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 373 T C 2.414 177.109 174.700 -0.009 0.000 1.053 373 T CA 2.956 65.057 62.100 0.002 0.000 1.165 373 T CB -1.068 67.800 68.868 -0.001 0.000 0.863 373 T HN 0.588 nan 8.240 nan 0.000 0.427 374 T N 2.417 116.963 114.554 -0.014 0.000 2.597 374 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 374 T C 2.432 177.105 174.700 -0.044 0.000 1.053 374 T CA 1.915 63.995 62.100 -0.034 0.000 1.165 374 T CB -0.800 68.047 68.868 -0.034 0.000 0.863 374 T HN 0.449 nan 8.240 nan 0.000 0.427 375 S N 1.127 116.811 115.700 -0.027 0.000 2.368 375 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 375 S C 2.018 176.611 174.600 -0.012 0.000 1.044 375 S CA 1.530 59.717 58.200 -0.022 0.000 1.062 375 S CB -0.524 62.676 63.200 -0.001 0.000 0.931 375 S HN 0.596 nan 8.310 nan 0.000 0.440 376 E N 1.153 121.351 120.200 -0.003 0.000 2.058 376 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 376 E C 2.167 178.763 176.600 -0.007 0.000 0.997 376 E CA 1.294 57.695 56.400 0.001 0.000 0.801 376 E CB -0.153 29.550 29.700 0.005 0.000 0.746 376 E HN 0.625 nan 8.360 nan 0.000 0.450 377 Q N -0.087 119.702 119.800 -0.018 0.000 2.172 377 Q HA -0.052 4.287 4.340 -0.000 0.000 0.200 377 Q C 2.354 178.335 176.000 -0.032 0.000 0.964 377 Q CA 0.903 56.692 55.803 -0.023 0.000 0.855 377 Q CB 0.062 28.784 28.738 -0.026 0.000 0.918 377 Q HN 0.386 nan 8.270 nan 0.000 0.444 378 I N 0.393 120.926 120.570 -0.062 0.000 2.315 378 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 378 I C 2.023 178.163 176.117 0.038 0.000 1.117 378 I CA 1.044 62.281 61.300 -0.105 0.000 1.404 378 I CB -0.102 37.769 38.000 -0.216 0.000 1.071 378 I HN 0.203 nan 8.210 nan 0.000 0.419 379 I N 0.570 121.159 120.570 0.031 0.000 2.226 379 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 379 I C 2.430 178.562 176.117 0.026 0.000 1.100 379 I CA 1.476 62.806 61.300 0.051 0.000 1.374 379 I CB -0.308 37.707 38.000 0.026 0.000 1.057 379 I HN 0.201 nan 8.210 nan 0.000 0.413 380 E N 0.428 120.631 120.200 0.005 0.000 2.085 380 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 380 E C 2.321 178.905 176.600 -0.028 0.000 0.994 380 E CA 1.444 57.837 56.400 -0.013 0.000 0.801 380 E CB -0.132 29.560 29.700 -0.013 0.000 0.743 380 E HN 0.452 nan 8.360 nan 0.000 0.453 381 M N 0.282 119.877 119.600 -0.009 0.000 2.108 381 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 381 M C 2.508 178.696 176.300 -0.186 0.000 1.066 381 M CA 1.528 56.806 55.300 -0.036 0.000 1.107 381 M CB -0.324 32.333 32.600 0.094 0.000 1.356 381 M HN 0.150 nan 8.290 nan 0.000 0.406 382 A N 0.402 123.138 122.820 -0.139 0.000 1.877 382 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 382 A C 2.198 179.680 177.584 -0.170 0.000 1.186 382 A CA 1.383 53.237 52.037 -0.305 0.000 0.620 382 A CB -0.539 18.511 19.000 0.083 0.000 0.822 382 A HN 0.343 nan 8.150 nan 0.000 0.443 383 R N 0.003 120.460 120.500 -0.072 0.000 2.083 383 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 383 R C 1.868 178.129 176.300 -0.066 0.000 1.137 383 R CA 1.756 57.826 56.100 -0.050 0.000 0.951 383 R CB -0.816 29.462 30.300 -0.037 0.000 0.851 383 R HN 0.744 nan 8.270 nan 0.000 0.434 384 E N 0.273 120.422 120.200 -0.085 0.000 2.265 384 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 384 E C 1.524 178.063 176.600 -0.102 0.000 0.996 384 E CA 0.950 57.303 56.400 -0.079 0.000 0.832 384 E CB 0.013 29.671 29.700 -0.072 0.000 0.756 384 E HN 0.314 nan 8.360 nan 0.000 0.491 385 A N 0.061 122.774 122.820 -0.178 0.000 2.251 385 A HA 0.304 4.623 4.320 -0.000 0.000 0.209 385 A C 1.587 179.141 177.584 -0.049 0.000 1.187 385 A CA 0.734 52.661 52.037 -0.183 0.000 0.823 385 A CB 0.056 18.773 19.000 -0.472 0.000 0.846 385 A HN 0.310 nan 8.150 nan 0.000 0.486 386 G N -2.244 106.540 108.800 -0.027 0.000 2.159 386 G HA2 0.192 4.152 3.960 -0.000 0.000 0.170 386 G HA3 0.192 4.152 3.960 -0.000 0.000 0.170 386 G C 0.286 175.215 174.900 0.048 0.000 1.007 386 G CA -0.000 45.110 45.100 0.018 0.000 0.672 386 G HN 1.428 nan 8.290 nan 0.000 0.507 387 A N 0.214 123.074 122.820 0.067 0.000 2.401 387 A HA 0.727 5.046 4.320 -0.000 0.000 0.259 387 A C 1.206 178.800 177.584 0.017 0.000 1.103 387 A CA 0.945 53.033 52.037 0.085 0.000 0.789 387 A CB 0.519 19.616 19.000 0.160 0.000 1.035 387 A HN 0.360 nan 8.150 nan 0.000 0.491 388 K N 1.157 121.559 120.400 0.004 0.000 2.005 388 K HA 0.042 4.362 4.320 -0.000 0.000 0.214 388 K C 0.046 176.602 176.600 -0.072 0.000 1.030 388 K CA 0.810 57.082 56.287 -0.024 0.000 0.955 388 K CB -0.151 32.342 32.500 -0.013 0.000 0.767 388 K HN 0.503 nan 8.250 nan 0.000 0.446 389 K N 1.732 122.065 120.400 -0.110 0.000 2.185 389 K HA 0.329 4.649 4.320 -0.000 0.000 0.269 389 K C -0.901 175.465 176.600 -0.389 0.000 0.987 389 K CA -0.429 55.680 56.287 -0.298 0.000 0.865 389 K CB 2.094 34.386 32.500 -0.347 0.000 1.090 389 K HN -0.066 nan 8.250 nan 0.000 0.450 390 V N 4.496 124.135 119.914 -0.460 0.000 2.409 390 V HA 0.364 4.484 4.120 -0.000 0.000 0.291 390 V C -1.075 174.777 176.094 -0.403 0.000 1.020 390 V CA -0.917 61.214 62.300 -0.280 0.000 0.848 390 V CB 0.563 32.341 31.823 -0.075 0.000 0.990 390 V HN 0.534 nan 8.190 nan 0.000 0.430 391 Y N 4.636 124.974 120.300 0.064 0.000 2.429 391 Y HA 0.755 5.305 4.550 -0.000 0.000 0.342 391 Y C -0.278 175.707 175.900 0.141 0.000 1.004 391 Y CA -1.020 57.132 58.100 0.087 0.000 1.075 391 Y CB 1.963 40.466 38.460 0.071 0.000 1.214 391 Y HN 0.542 nan 8.280 nan 0.000 0.455 392 L N 2.698 124.104 121.223 0.304 0.000 2.365 392 L HA 0.943 5.283 4.340 -0.000 0.000 0.273 392 L C -0.960 175.977 176.870 0.113 0.000 1.000 392 L CA -0.705 54.239 54.840 0.172 0.000 0.819 392 L CB 1.502 43.605 42.059 0.074 0.000 1.284 392 L HN 0.700 nan 8.230 nan 0.000 0.418 393 A N 2.967 125.804 122.820 0.029 0.000 2.330 393 A HA 0.702 5.022 4.320 -0.000 0.000 0.313 393 A C -0.776 176.723 177.584 -0.141 0.000 1.124 393 A CA -0.416 51.567 52.037 -0.090 0.000 0.774 393 A CB 1.292 20.260 19.000 -0.053 0.000 1.198 393 A HN 0.707 nan 8.150 nan 0.000 0.465 394 S N 2.231 117.774 115.700 -0.263 0.000 2.422 394 S HA 0.484 4.954 4.470 -0.000 0.000 0.308 394 S C 1.148 175.691 174.600 -0.095 0.000 1.097 394 S CA 0.037 58.118 58.200 -0.199 0.000 1.099 394 S CB 0.947 63.933 63.200 -0.356 0.000 0.976 394 S HN 1.545 nan 8.310 nan 0.000 0.471 395 A N 4.203 126.995 122.820 -0.047 0.000 2.125 395 A HA 0.397 4.717 4.320 -0.000 0.000 0.219 395 A C 1.128 178.681 177.584 -0.051 0.000 1.156 395 A CA 1.174 53.184 52.037 -0.044 0.000 0.671 395 A CB -0.535 18.451 19.000 -0.024 0.000 0.794 395 A HN 1.176 nan 8.150 nan 0.000 0.459 396 A N -0.762 122.053 122.820 -0.008 0.000 2.356 396 A HA 0.715 5.035 4.320 -0.000 0.000 0.323 396 A C -2.826 174.771 177.584 0.021 0.000 1.119 396 A CA -2.045 49.959 52.037 -0.056 0.000 0.790 396 A CB 0.805 19.857 19.000 0.087 0.000 1.273 396 A HN 0.092 nan 8.150 nan 0.000 0.452 397 P HA 0.205 nan 4.420 nan 0.000 0.274 397 P C -0.627 176.752 177.300 0.132 0.000 1.264 397 P CA -0.150 62.900 63.100 -0.083 0.000 0.795 397 P CB 0.306 31.791 31.700 -0.359 0.000 1.064 398 E N -0.057 120.061 120.200 -0.137 0.000 2.414 398 E HA 0.115 4.465 4.350 -0.000 0.000 0.263 398 E C -0.323 176.355 176.600 0.129 0.000 1.000 398 E CA 0.449 56.686 56.400 -0.272 0.000 0.914 398 E CB -0.321 29.024 29.700 -0.592 0.000 0.948 398 E HN 0.254 nan 8.360 nan 0.000 0.444 399 I N 4.121 124.788 120.570 0.161 0.000 2.291 399 I HA 0.183 4.353 4.170 -0.000 0.000 0.290 399 I C 1.034 177.118 176.117 -0.056 0.000 1.050 399 I CA -0.031 61.350 61.300 0.134 0.000 1.245 399 I CB 0.489 38.568 38.000 0.132 0.000 1.405 399 I HN 0.442 nan 8.210 nan 0.000 0.478 400 R N 4.269 124.646 120.500 -0.205 0.000 2.419 400 R HA 0.301 4.641 4.340 -0.000 0.000 0.235 400 R C -0.628 175.209 176.300 -0.772 0.000 0.899 400 R CA 0.118 55.900 56.100 -0.530 0.000 1.048 400 R CB 0.541 30.353 30.300 -0.812 0.000 1.182 400 R HN 0.320 nan 8.270 nan 0.000 0.544 401 F N 1.813 121.763 119.950 -0.001 0.000 2.563 401 F HA 0.438 4.965 4.527 -0.000 0.000 0.316 401 F C -2.191 173.577 175.800 -0.053 0.000 1.076 401 F CA -3.293 54.708 58.000 0.002 0.000 0.921 401 F CB 1.205 40.203 39.000 -0.004 0.000 1.209 401 F HN -0.258 nan 8.300 nan 0.000 0.462 402 P HA -0.004 nan 4.420 nan 0.000 0.276 402 P C -0.891 176.442 177.300 0.054 0.000 1.235 402 P CA -0.181 62.944 63.100 0.041 0.000 0.772 402 P CB 0.889 32.594 31.700 0.009 0.000 0.871 403 N N 2.983 121.650 118.700 -0.054 0.000 2.458 403 N HA 0.122 4.862 4.740 -0.000 0.000 0.270 403 N C 0.304 175.771 175.510 -0.073 0.000 1.102 403 N CA -0.195 52.822 53.050 -0.056 0.000 0.967 403 N CB 0.785 39.185 38.487 -0.145 0.000 1.078 403 N HN 0.169 nan 8.380 nan 0.000 0.471 404 V N 2.176 121.991 119.914 -0.165 0.000 2.887 404 V HA 0.374 4.494 4.120 -0.000 0.000 0.370 404 V C -0.929 175.016 176.094 -0.247 0.000 1.322 404 V CA -0.349 61.813 62.300 -0.231 0.000 1.267 404 V CB -1.133 30.520 31.823 -0.282 0.000 1.344 404 V HN 0.494 nan 8.190 nan 0.000 0.573 405 Y N 0.801 121.145 120.300 0.073 0.000 2.712 405 Y HA 0.704 5.254 4.550 0.000 0.000 0.250 405 Y C 1.416 177.318 175.900 0.003 0.000 1.101 405 Y CA -0.659 57.481 58.100 0.066 0.000 1.118 405 Y CB 1.214 39.714 38.460 0.066 0.000 1.203 405 Y HN 0.401 nan 8.280 nan 0.000 0.587 406 G N 0.058 108.917 108.800 0.098 0.000 2.211 406 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.201 406 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.201 406 G C -0.123 174.681 174.900 -0.160 0.000 0.997 406 G CA -0.367 44.718 45.100 -0.025 0.000 0.652 406 G HN 0.211 nan 8.290 nan 0.000 0.500 407 I N 1.664 122.129 120.570 -0.176 0.000 2.378 407 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 407 I C -0.743 175.284 176.117 -0.149 0.000 0.992 407 I CA -0.766 60.354 61.300 -0.299 0.000 1.154 407 I CB 1.729 39.479 38.000 -0.416 0.000 1.315 407 I HN 0.032 nan 8.210 nan 0.000 0.448 408 D N 7.999 128.372 120.400 -0.045 0.000 2.336 408 D HA 0.315 4.955 4.640 -0.000 0.000 0.249 408 D C -0.620 175.706 176.300 0.044 0.000 1.213 408 D CA 0.092 54.148 54.000 0.094 0.000 0.870 408 D CB 0.624 41.629 40.800 0.342 0.000 1.076 408 D HN 0.185 nan 8.370 nan 0.000 0.483 409 M N 3.574 123.151 119.600 -0.039 0.000 2.602 409 M HA 0.428 4.908 4.480 -0.000 0.000 0.312 409 M C -2.134 174.132 176.300 -0.057 0.000 1.181 409 M CA -2.026 53.230 55.300 -0.074 0.000 0.910 409 M CB 1.423 33.936 32.600 -0.144 0.000 1.723 409 M HN 0.172 nan 8.290 nan 0.000 0.459 410 P HA 0.078 nan 4.420 nan 0.000 0.271 410 P C -0.358 176.888 177.300 -0.089 0.000 1.244 410 P CA -0.192 62.871 63.100 -0.061 0.000 0.793 410 P CB 0.428 32.097 31.700 -0.052 0.000 0.984 411 S N 0.307 115.947 115.700 -0.100 0.000 2.560 411 S HA 0.180 4.650 4.470 -0.000 0.000 0.284 411 S C 1.574 176.065 174.600 -0.181 0.000 1.327 411 S CA 0.091 58.213 58.200 -0.130 0.000 1.055 411 S CB -0.058 63.069 63.200 -0.122 0.000 0.868 411 S HN 0.458 nan 8.310 nan 0.000 0.506 412 A N 4.429 127.111 122.820 -0.230 0.000 1.971 412 A HA -0.147 4.172 4.320 -0.000 0.000 0.222 412 A C 2.234 179.428 177.584 -0.650 0.000 1.182 412 A CA 2.691 54.485 52.037 -0.406 0.000 0.649 412 A CB -1.917 16.829 19.000 -0.424 0.000 0.818 412 A HN 0.970 nan 8.150 nan 0.000 0.458 413 T N 0.364 114.635 114.554 -0.471 0.000 2.635 413 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 413 T C 1.611 176.219 174.700 -0.154 0.000 1.040 413 T CA 1.709 63.627 62.100 -0.304 0.000 1.156 413 T CB -0.490 68.287 68.868 -0.151 0.000 0.863 413 T HN 0.741 nan 8.240 nan 0.000 0.430 414 E N 0.922 121.049 120.200 -0.123 0.000 2.265 414 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 414 E C 0.280 176.855 176.600 -0.042 0.000 0.996 414 E CA 0.211 56.572 56.400 -0.065 0.000 0.832 414 E CB -0.317 29.348 29.700 -0.059 0.000 0.756 414 E HN 0.481 nan 8.360 nan 0.000 0.491 415 L N 1.933 123.119 121.223 -0.062 0.000 2.462 415 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 415 L C 1.564 178.456 176.870 0.036 0.000 1.166 415 L CA -0.012 54.818 54.840 -0.016 0.000 0.880 415 L CB 0.618 42.656 42.059 -0.035 0.000 1.142 415 L HN 0.140 nan 8.230 nan 0.000 0.473 416 I N 2.909 123.504 120.570 0.041 0.000 2.315 416 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 416 I C 2.371 178.517 176.117 0.049 0.000 1.117 416 I CA 1.403 62.736 61.300 0.054 0.000 1.404 416 I CB 0.311 38.350 38.000 0.066 0.000 1.071 416 I HN 0.835 nan 8.210 nan 0.000 0.419 417 A N -0.605 122.235 122.820 0.034 0.000 2.121 417 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 417 A C 1.139 178.678 177.584 -0.076 0.000 1.154 417 A CA 0.512 52.527 52.037 -0.037 0.000 0.679 417 A CB -1.049 17.896 19.000 -0.091 0.000 0.795 417 A HN 0.676 nan 8.150 nan 0.000 0.458 418 H N 0.050 119.043 119.070 -0.128 0.000 3.253 418 H HA 0.349 4.905 4.556 -0.000 0.000 0.250 418 H C 1.277 176.541 175.328 -0.106 0.000 1.051 418 H CA 0.583 56.536 56.048 -0.158 0.000 1.458 418 H CB -0.581 29.100 29.762 -0.135 0.000 1.549 418 H HN 0.492 nan 8.280 nan 0.000 0.506 419 G N 4.357 112.860 108.800 -0.495 0.000 2.198 419 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 419 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 419 G C 0.103 174.905 174.900 -0.164 0.000 1.042 419 G CA 0.209 45.090 45.100 -0.367 0.000 0.791 419 G HN 0.750 nan 8.290 nan 0.000 0.502 420 R N -0.516 119.910 120.500 -0.124 0.000 2.621 420 R HA 0.429 4.769 4.340 -0.000 0.000 0.284 420 R C -0.669 175.598 176.300 -0.056 0.000 0.998 420 R CA -0.964 55.101 56.100 -0.059 0.000 0.895 420 R CB 1.306 31.595 30.300 -0.020 0.000 1.195 420 R HN 0.133 nan 8.270 nan 0.000 0.450 421 E N 1.671 121.855 120.200 -0.025 0.000 2.343 421 E HA 0.043 4.393 4.350 -0.000 0.000 0.269 421 E C 1.161 177.777 176.600 0.027 0.000 1.047 421 E CA -0.121 56.272 56.400 -0.013 0.000 0.874 421 E CB 1.649 31.350 29.700 0.003 0.000 1.033 421 E HN 0.337 nan 8.360 nan 0.000 0.409 422 V N 2.561 122.500 119.914 0.041 0.000 2.311 422 V HA -0.350 3.770 4.120 -0.000 0.000 0.256 422 V C 1.834 178.026 176.094 0.163 0.000 1.077 422 V CA 2.547 64.935 62.300 0.146 0.000 1.067 422 V CB -0.462 31.476 31.823 0.191 0.000 0.659 422 V HN 0.712 nan 8.190 nan 0.000 0.451 423 D N -0.916 119.554 120.400 0.117 0.000 2.144 423 D HA -0.176 4.464 4.640 -0.000 0.000 0.200 423 D C 2.260 178.611 176.300 0.084 0.000 0.978 423 D CA 1.190 55.254 54.000 0.106 0.000 0.833 423 D CB -0.074 40.776 40.800 0.084 0.000 0.961 423 D HN 0.550 nan 8.370 nan 0.000 0.470 424 E N -0.405 119.834 120.200 0.066 0.000 2.150 424 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 424 E C 2.033 178.672 176.600 0.065 0.000 0.985 424 E CA 0.580 57.011 56.400 0.051 0.000 0.814 424 E CB 0.070 29.790 29.700 0.032 0.000 0.752 424 E HN 0.408 nan 8.360 nan 0.000 0.466 425 I N 0.316 120.941 120.570 0.091 0.000 2.233 425 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 425 I C 2.783 178.970 176.117 0.116 0.000 1.093 425 I CA 0.690 62.060 61.300 0.117 0.000 1.380 425 I CB -0.311 37.804 38.000 0.192 0.000 1.067 425 I HN 0.064 nan 8.210 nan 0.000 0.413 426 R N 1.043 121.622 120.500 0.132 0.000 2.105 426 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 426 R C 2.192 178.537 176.300 0.075 0.000 1.135 426 R CA 1.699 57.868 56.100 0.114 0.000 0.967 426 R CB -0.073 30.308 30.300 0.135 0.000 0.861 426 R HN 0.481 nan 8.270 nan 0.000 0.442 427 Q N 0.050 119.889 119.800 0.065 0.000 2.020 427 Q HA -0.106 4.234 4.340 -0.000 0.000 0.198 427 Q C 2.279 178.301 176.000 0.036 0.000 0.974 427 Q CA 1.628 57.457 55.803 0.043 0.000 0.829 427 Q CB -0.088 28.673 28.738 0.038 0.000 0.894 427 Q HN 0.383 nan 8.270 nan 0.000 0.433 428 I N 1.212 121.807 120.570 0.042 0.000 2.208 428 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 428 I C 2.331 178.467 176.117 0.032 0.000 1.097 428 I CA 1.233 62.554 61.300 0.035 0.000 1.363 428 I CB -0.375 37.649 38.000 0.040 0.000 1.051 428 I HN 0.320 nan 8.210 nan 0.000 0.413 429 I N -1.203 119.392 120.570 0.041 0.000 3.564 429 I HA 0.300 4.470 4.170 -0.000 0.000 0.294 429 I C 1.352 177.483 176.117 0.023 0.000 1.289 429 I CA 0.533 61.853 61.300 0.033 0.000 1.325 429 I CB -0.492 37.533 38.000 0.042 0.000 1.039 429 I HN 0.236 nan 8.210 nan 0.000 0.474 430 G N 1.748 110.561 108.800 0.021 0.000 2.273 430 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.280 430 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.280 430 G C 0.251 175.149 174.900 -0.003 0.000 1.047 430 G CA 0.216 45.320 45.100 0.007 0.000 0.869 430 G HN 0.983 nan 8.290 nan 0.000 0.502 431 A N -0.699 122.129 122.820 0.012 0.000 2.304 431 A HA 0.681 5.001 4.320 -0.000 0.000 0.301 431 A C 1.112 178.680 177.584 -0.027 0.000 1.132 431 A CA 0.209 52.246 52.037 0.000 0.000 0.819 431 A CB 0.665 19.697 19.000 0.053 0.000 1.094 431 A HN 0.144 nan 8.150 nan 0.000 0.492 432 D N 0.826 121.147 120.400 -0.131 0.000 2.224 432 D HA 0.128 4.768 4.640 -0.000 0.000 0.205 432 D C 0.815 177.115 176.300 0.000 0.000 0.965 432 D CA 1.805 55.703 54.000 -0.170 0.000 0.852 432 D CB 0.333 40.841 40.800 -0.487 0.000 0.947 432 D HN 0.712 nan 8.370 nan 0.000 0.494 433 G N 0.076 108.955 108.800 0.132 0.000 2.742 433 G HA2 0.485 4.445 3.960 -0.000 0.000 0.296 433 G HA3 0.485 4.445 3.960 -0.000 0.000 0.296 433 G C -2.129 173.010 174.900 0.398 0.000 1.436 433 G CA -0.505 44.752 45.100 0.262 0.000 0.928 433 G HN 0.045 nan 8.290 nan 0.000 0.520 434 L N 1.617 123.129 121.223 0.481 0.000 2.464 434 L HA 0.885 5.225 4.340 -0.000 0.000 0.266 434 L C -1.408 175.650 176.870 0.313 0.000 0.965 434 L CA -0.916 54.126 54.840 0.338 0.000 0.833 434 L CB 1.872 44.040 42.059 0.181 0.000 1.296 434 L HN 0.636 nan 8.230 nan 0.000 0.405 435 I N 3.992 124.565 120.570 0.006 0.000 2.571 435 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 435 I C -1.356 174.607 176.117 -0.256 0.000 1.115 435 I CA -0.333 60.855 61.300 -0.186 0.000 1.045 435 I CB 1.306 38.849 38.000 -0.762 0.000 1.238 435 I HN 0.557 nan 8.210 nan 0.000 0.424 436 F N 4.243 124.131 119.950 -0.105 0.000 2.411 436 F HA 0.491 5.018 4.527 -0.000 0.000 0.324 436 F C 0.379 176.101 175.800 -0.131 0.000 1.086 436 F CA -0.324 57.623 58.000 -0.088 0.000 1.028 436 F CB 0.790 39.759 39.000 -0.051 0.000 1.284 436 F HN 0.403 nan 8.300 nan 0.000 0.501 437 Q N 0.913 120.760 119.800 0.080 0.000 2.259 437 Q HA 0.196 4.536 4.340 -0.000 0.000 0.249 437 Q C -1.357 174.613 176.000 -0.049 0.000 0.914 437 Q CA -0.444 55.335 55.803 -0.041 0.000 0.904 437 Q CB 0.747 29.434 28.738 -0.085 0.000 1.213 437 Q HN 0.371 nan 8.270 nan 0.000 0.428 438 D N 3.630 123.984 120.400 -0.076 0.000 2.351 438 D HA -0.014 4.626 4.640 -0.000 0.000 0.251 438 D C 0.861 177.094 176.300 -0.112 0.000 1.137 438 D CA -0.141 53.813 54.000 -0.076 0.000 0.879 438 D CB 1.219 41.980 40.800 -0.065 0.000 1.181 438 D HN 0.629 nan 8.370 nan 0.000 0.448 439 L N 4.429 125.586 121.223 -0.110 0.000 2.089 439 L HA -0.246 4.093 4.340 -0.000 0.000 0.213 439 L C 1.828 178.637 176.870 -0.101 0.000 1.079 439 L CA 1.785 56.546 54.840 -0.132 0.000 0.758 439 L CB -0.639 41.394 42.059 -0.044 0.000 0.891 439 L HN 0.518 nan 8.230 nan 0.000 0.433 440 N N -1.584 117.078 118.700 -0.064 0.000 2.270 440 N HA -0.206 4.534 4.740 -0.000 0.000 0.181 440 N C 1.357 176.822 175.510 -0.075 0.000 1.016 440 N CA 1.572 54.592 53.050 -0.050 0.000 0.870 440 N CB -0.611 37.859 38.487 -0.028 0.000 0.979 440 N HN 0.366 nan 8.380 nan 0.000 0.431 441 D N 0.828 121.174 120.400 -0.090 0.000 2.144 441 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 441 D C 2.021 178.241 176.300 -0.133 0.000 0.978 441 D CA 0.414 54.355 54.000 -0.099 0.000 0.833 441 D CB -0.217 40.525 40.800 -0.097 0.000 0.961 441 D HN 0.218 nan 8.370 nan 0.000 0.470 442 L N 0.933 122.055 121.223 -0.168 0.000 1.994 442 L HA -0.109 4.230 4.340 -0.000 0.000 0.208 442 L C 2.182 178.889 176.870 -0.271 0.000 1.071 442 L CA 1.381 56.089 54.840 -0.221 0.000 0.745 442 L CB -0.737 41.157 42.059 -0.276 0.000 0.892 442 L HN -0.024 nan 8.230 nan 0.000 0.431 443 I N -0.025 120.394 120.570 -0.252 0.000 2.118 443 I HA -0.367 3.803 4.170 -0.000 0.000 0.241 443 I C 2.140 178.152 176.117 -0.176 0.000 1.070 443 I CA 1.757 62.889 61.300 -0.281 0.000 1.327 443 I CB -0.658 37.302 38.000 -0.068 0.000 1.034 443 I HN 0.322 nan 8.210 nan 0.000 0.405 444 D N 0.899 121.239 120.400 -0.101 0.000 2.123 444 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 444 D C 2.271 178.513 176.300 -0.096 0.000 0.992 444 D CA 1.593 55.554 54.000 -0.065 0.000 0.833 444 D CB -0.362 40.405 40.800 -0.056 0.000 0.954 444 D HN 0.396 nan 8.370 nan 0.000 0.455 445 A N 0.593 123.330 122.820 -0.138 0.000 1.892 445 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 445 A C 2.532 180.012 177.584 -0.173 0.000 1.188 445 A CA 1.991 53.939 52.037 -0.148 0.000 0.631 445 A CB -0.759 18.143 19.000 -0.163 0.000 0.822 445 A HN 0.187 nan 8.150 nan 0.000 0.447 446 V N -0.920 118.836 119.914 -0.263 0.000 2.331 446 V HA -0.121 3.999 4.120 -0.000 0.000 0.242 446 V C 2.501 178.510 176.094 -0.143 0.000 1.034 446 V CA 1.688 63.784 62.300 -0.340 0.000 1.027 446 V CB -0.843 30.547 31.823 -0.722 0.000 0.667 446 V HN 0.539 nan 8.190 nan 0.000 0.457 447 R N 0.327 120.812 120.500 -0.024 0.000 2.119 447 R HA -0.262 4.078 4.340 -0.000 0.000 0.246 447 R C 2.363 178.690 176.300 0.046 0.000 1.146 447 R CA 1.779 57.965 56.100 0.143 0.000 0.962 447 R CB -0.625 29.775 30.300 0.167 0.000 0.863 447 R HN 0.531 nan 8.270 nan 0.000 0.442 448 A N 0.982 123.799 122.820 -0.006 0.000 2.009 448 A HA -0.222 4.098 4.320 -0.000 0.000 0.222 448 A C 1.794 179.375 177.584 -0.004 0.000 1.175 448 A CA 1.759 53.787 52.037 -0.014 0.000 0.651 448 A CB -0.389 18.588 19.000 -0.039 0.000 0.815 448 A HN 0.338 nan 8.150 nan 0.000 0.459 449 E N -1.029 119.169 120.200 -0.004 0.000 2.274 449 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 449 E C -0.023 176.602 176.600 0.042 0.000 0.996 449 E CA 0.656 57.068 56.400 0.020 0.000 0.840 449 E CB -0.055 29.658 29.700 0.023 0.000 0.772 449 E HN 0.606 nan 8.360 nan 0.000 0.491 450 N N -0.736 117.990 118.700 0.044 0.000 3.112 450 N HA 0.099 4.839 4.740 -0.000 0.000 0.231 450 N C -2.601 172.931 175.510 0.037 0.000 1.385 450 N CA -1.084 51.993 53.050 0.045 0.000 0.790 450 N CB 1.163 39.690 38.487 0.066 0.000 1.563 450 N HN -0.304 nan 8.380 nan 0.000 0.613 451 P HA -0.013 nan 4.420 nan 0.000 0.222 451 P C 0.468 177.769 177.300 0.003 0.000 1.147 451 P CA 0.769 63.880 63.100 0.019 0.000 0.790 451 P CB 0.381 32.089 31.700 0.013 0.000 0.780 452 D N -0.774 119.626 120.400 -0.001 0.000 2.265 452 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 452 D C 0.742 177.014 176.300 -0.045 0.000 0.977 452 D CA 0.873 54.865 54.000 -0.014 0.000 0.871 452 D CB -0.309 40.488 40.800 -0.004 0.000 0.925 452 D HN 0.145 nan 8.370 nan 0.000 0.485 453 I N 1.919 122.448 120.570 -0.069 0.000 2.436 453 I HA -0.007 4.163 4.170 -0.000 0.000 0.289 453 I C 1.471 177.486 176.117 -0.170 0.000 1.083 453 I CA 0.191 61.382 61.300 -0.183 0.000 1.372 453 I CB 1.162 38.962 38.000 -0.333 0.000 1.408 453 I HN -0.090 nan 8.210 nan 0.000 0.516 454 Q N 4.128 123.833 119.800 -0.160 0.000 2.349 454 Q HA 0.127 4.467 4.340 -0.000 0.000 0.209 454 Q C 0.477 176.420 176.000 -0.095 0.000 0.920 454 Q CA 0.624 56.374 55.803 -0.088 0.000 0.901 454 Q CB 0.884 29.590 28.738 -0.054 0.000 1.021 454 Q HN 0.661 nan 8.270 nan 0.000 0.519 455 Q N -0.673 119.006 119.800 -0.201 0.000 2.359 455 Q HA 0.446 4.786 4.340 -0.000 0.000 0.274 455 Q C -1.611 174.214 176.000 -0.291 0.000 1.074 455 Q CA -0.359 55.370 55.803 -0.125 0.000 0.810 455 Q CB 1.665 30.377 28.738 -0.044 0.000 1.342 455 Q HN -0.091 nan 8.270 nan 0.000 0.427 456 F N 0.793 120.767 119.950 0.041 0.000 2.470 456 F HA 0.342 4.868 4.527 -0.001 0.000 0.329 456 F C 0.439 176.277 175.800 0.064 0.000 1.072 456 F CA -0.767 57.276 58.000 0.072 0.000 0.989 456 F CB 1.369 40.434 39.000 0.110 0.000 1.193 456 F HN 0.376 nan 8.300 nan 0.000 0.481 457 E N 1.626 121.966 120.200 0.234 0.000 2.290 457 E HA 0.274 4.624 4.350 -0.000 0.000 0.277 457 E C -0.741 175.981 176.600 0.203 0.000 1.035 457 E CA -0.076 56.399 56.400 0.126 0.000 0.873 457 E CB 0.869 30.593 29.700 0.039 0.000 1.029 457 E HN 0.781 nan 8.360 nan 0.000 0.419 458 C N 2.215 121.596 119.300 0.135 0.000 3.117 458 C HA 0.246 4.705 4.460 -0.000 0.000 0.278 458 C C 1.386 176.357 174.990 -0.032 0.000 2.067 458 C CA -0.129 58.965 59.018 0.127 0.000 1.202 458 C CB -1.415 26.544 27.740 0.365 0.000 2.170 458 C HN 0.532 nan 8.230 nan 0.000 0.600 459 S N 1.100 116.712 115.700 -0.146 0.000 2.419 459 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 459 S C 1.664 176.099 174.600 -0.275 0.000 1.016 459 S CA 1.702 59.663 58.200 -0.399 0.000 0.974 459 S CB -0.770 62.027 63.200 -0.672 0.000 0.786 459 S HN 1.568 nan 8.310 nan 0.000 0.492 460 V N -1.726 118.024 119.914 -0.273 0.000 2.515 460 V HA 0.005 4.125 4.120 -0.000 0.000 0.250 460 V C 1.994 178.043 176.094 -0.073 0.000 1.058 460 V CA 1.167 63.320 62.300 -0.245 0.000 1.064 460 V CB -1.324 30.159 31.823 -0.566 0.000 0.675 460 V HN 0.355 nan 8.190 nan 0.000 0.461 461 F N 2.856 122.927 119.950 0.201 0.000 2.262 461 F HA 0.185 4.712 4.527 -0.000 0.000 0.292 461 F C 2.074 178.049 175.800 0.293 0.000 1.081 461 F CA 1.121 59.237 58.000 0.195 0.000 1.355 461 F CB -0.807 38.263 39.000 0.117 0.000 1.069 461 F HN 0.536 nan 8.300 nan 0.000 0.506 462 N N -1.206 117.663 118.700 0.281 0.000 2.159 462 N HA 0.203 4.943 4.740 -0.000 0.000 0.217 462 N C 1.269 176.419 175.510 -0.601 0.000 1.223 462 N CA 0.500 53.578 53.050 0.047 0.000 0.896 462 N CB 0.135 38.644 38.487 0.037 0.000 1.064 462 N HN 0.206 nan 8.380 nan 0.000 0.518 463 G N -0.130 107.949 108.800 -1.201 0.000 2.203 463 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 463 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 463 G C -0.472 173.925 174.900 -0.839 0.000 1.012 463 G CA 0.658 44.790 45.100 -1.614 0.000 0.749 463 G HN 0.325 nan 8.290 nan 0.000 0.512 464 V N 0.930 120.484 119.914 -0.600 0.000 2.318 464 V HA 0.412 4.532 4.120 -0.000 0.000 0.271 464 V C -0.057 175.821 176.094 -0.361 0.000 1.030 464 V CA -1.019 61.082 62.300 -0.332 0.000 0.844 464 V CB 0.572 32.302 31.823 -0.154 0.000 1.015 464 V HN 0.241 nan 8.190 nan 0.000 0.460 465 Y N 4.126 124.439 120.300 0.021 0.000 2.452 465 Y HA 0.186 4.736 4.550 0.000 0.000 0.348 465 Y C 1.446 177.433 175.900 0.145 0.000 0.985 465 Y CA -0.334 57.853 58.100 0.145 0.000 1.214 465 Y CB 1.231 39.754 38.460 0.106 0.000 1.136 465 Y HN 0.587 nan 8.280 nan 0.000 0.523 466 V N -0.002 120.043 119.914 0.218 0.000 2.453 466 V HA -0.262 3.858 4.120 -0.000 0.000 0.252 466 V C 1.615 177.781 176.094 0.120 0.000 1.068 466 V CA 2.318 64.677 62.300 0.098 0.000 1.070 466 V CB -1.259 30.554 31.823 -0.016 0.000 0.664 466 V HN 0.849 nan 8.190 nan 0.000 0.461 467 T N -3.406 111.284 114.554 0.228 0.000 3.148 467 T HA 0.105 4.455 4.350 -0.000 0.000 0.253 467 T C 1.092 175.873 174.700 0.135 0.000 1.134 467 T CA 0.464 62.667 62.100 0.171 0.000 1.051 467 T CB -0.583 68.417 68.868 0.220 0.000 0.959 467 T HN 0.647 nan 8.240 nan 0.000 0.525 468 K N 0.543 121.037 120.400 0.156 0.000 3.013 468 K HA -0.255 4.065 4.320 -0.000 0.000 0.275 468 K C 0.594 177.223 176.600 0.048 0.000 1.086 468 K CA 1.074 57.422 56.287 0.101 0.000 0.814 468 K CB -1.127 31.410 32.500 0.063 0.000 1.212 468 K HN 0.472 nan 8.250 nan 0.000 0.468 469 D N 0.548 120.969 120.400 0.035 0.000 2.091 469 D HA -0.038 4.602 4.640 -0.000 0.000 0.199 469 D C 0.650 176.860 176.300 -0.150 0.000 0.980 469 D CA 0.977 54.935 54.000 -0.069 0.000 0.831 469 D CB 0.210 40.956 40.800 -0.090 0.000 0.987 469 D HN 0.014 nan 8.370 nan 0.000 0.460 470 V N 2.653 122.450 119.914 -0.195 0.000 2.843 470 V HA 0.108 4.228 4.120 -0.000 0.000 0.305 470 V C 0.425 176.457 176.094 -0.102 0.000 1.065 470 V CA 0.358 62.511 62.300 -0.246 0.000 1.116 470 V CB 1.169 32.533 31.823 -0.765 0.000 0.968 470 V HN 0.258 nan 8.190 nan 0.000 0.487 471 D N 2.235 122.627 120.400 -0.012 0.000 2.643 471 D HA 0.151 4.791 4.640 -0.000 0.000 0.283 471 D C 0.409 176.743 176.300 0.056 0.000 1.242 471 D CA -0.721 53.298 54.000 0.031 0.000 0.863 471 D CB 1.853 42.674 40.800 0.035 0.000 1.382 471 D HN 0.191 nan 8.370 nan 0.000 0.444 472 Q N 0.943 120.778 119.800 0.058 0.000 2.014 472 Q HA -0.076 4.264 4.340 -0.000 0.000 0.207 472 Q C 2.098 178.129 176.000 0.051 0.000 0.993 472 Q CA 3.031 58.868 55.803 0.057 0.000 0.850 472 Q CB -1.192 27.581 28.738 0.057 0.000 0.916 472 Q HN 0.752 nan 8.270 nan 0.000 0.417 473 G N -0.717 108.118 108.800 0.058 0.000 2.469 473 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.220 473 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.220 473 G C 1.345 176.307 174.900 0.105 0.000 1.136 473 G CA 1.093 46.230 45.100 0.062 0.000 0.759 473 G HN 0.522 nan 8.290 nan 0.000 0.562 474 Y N 1.323 121.627 120.300 0.007 0.000 2.145 474 Y HA -0.016 4.534 4.550 -0.000 0.000 0.286 474 Y C 2.572 178.504 175.900 0.053 0.000 1.145 474 Y CA 1.228 59.352 58.100 0.040 0.000 1.148 474 Y CB -0.462 37.982 38.460 -0.028 0.000 0.981 474 Y HN 0.137 nan 8.280 nan 0.000 0.507 475 L N -0.006 121.096 121.223 -0.201 0.000 2.079 475 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 475 L C 1.922 178.683 176.870 -0.182 0.000 1.081 475 L CA 1.851 56.529 54.840 -0.270 0.000 0.752 475 L CB -0.710 41.281 42.059 -0.113 0.000 0.896 475 L HN 0.176 nan 8.230 nan 0.000 0.433 476 D N -0.180 120.180 120.400 -0.067 0.000 2.097 476 D HA -0.242 4.398 4.640 -0.000 0.000 0.195 476 D C 1.897 178.206 176.300 0.015 0.000 0.989 476 D CA 1.168 55.158 54.000 -0.017 0.000 0.827 476 D CB -0.207 40.608 40.800 0.026 0.000 0.966 476 D HN 0.176 nan 8.370 nan 0.000 0.456 477 F N 1.074 120.936 119.950 -0.147 0.000 2.202 477 F HA -0.085 4.442 4.527 -0.000 0.000 0.301 477 F C 1.582 177.276 175.800 -0.178 0.000 1.082 477 F CA 1.072 58.999 58.000 -0.121 0.000 1.313 477 F CB -0.201 38.767 39.000 -0.053 0.000 1.024 477 F HN -0.022 nan 8.300 nan 0.000 0.495 478 L N -0.747 120.245 121.223 -0.386 0.000 2.341 478 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 478 L C 1.648 178.346 176.870 -0.285 0.000 1.115 478 L CA 0.773 55.336 54.840 -0.463 0.000 0.820 478 L CB -0.698 41.057 42.059 -0.507 0.000 0.944 478 L HN -0.072 nan 8.230 nan 0.000 0.452 479 D N -0.254 120.030 120.400 -0.195 0.000 2.312 479 D HA -0.103 4.536 4.640 -0.000 0.000 0.211 479 D C 1.797 178.031 176.300 -0.110 0.000 0.964 479 D CA 1.239 55.159 54.000 -0.133 0.000 0.877 479 D CB 0.013 40.755 40.800 -0.096 0.000 0.924 479 D HN 0.297 nan 8.370 nan 0.000 0.515 480 T N -1.597 112.891 114.554 -0.110 0.000 3.366 480 T HA 0.321 4.671 4.350 -0.000 0.000 0.249 480 T C 0.683 175.315 174.700 -0.114 0.000 1.028 480 T CA -0.197 61.863 62.100 -0.067 0.000 0.938 480 T CB -0.443 68.449 68.868 0.040 0.000 1.046 480 T HN -0.052 nan 8.240 nan 0.000 0.587 481 L N 0.000 121.127 121.223 -0.160 0.000 2.949 481 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 481 L CA 0.000 54.745 54.840 -0.159 0.000 0.813 481 L CB 0.000 41.911 42.059 -0.247 0.000 0.961 481 L HN 0.000 nan 8.230 nan 0.000 0.502