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 3ala_1_C DATA FIRST_RESID 35 DATA SEQUENCE PSQLPHcPSX XXXXXXXXXX XXSQLFADLS REELTAVMRF LTQRLGPGLV DATA SEQUENCE DAAQARPSDN CVFSVELQLP PKAAALAHLD RGSPPPAREA LAIVFFGRQP DATA SEQUENCE QPNVSELVVG PLPHPSYMRD VTVERHGGPL PYHRRPVLFQ EYLDIDQMIF DATA SEQUENCE NRELPQASGL LHHCCFYKXX XRNLVTMTTA PRGLQSGDRA TWFGLYYNIS DATA SEQUENCE GAGFFLHHVG LELLVNHKAL DPARWTIQKV FYQGRYYDSL AQLEAQFEAG DATA SEQUENCE LVNVVLIPDN GTGGSWSLKS PVPPGPAPPL QFYPQGPRFS VQGSRVASSL DATA SEQUENCE WTFSFGLGAF SGPRIFDVRF QGERLVYEIS LQEALAIYGG NSPAAMTTRY DATA SEQUENCE VDGGFGMGKY TTPLTRGVDc PYLATYVDWH FLLESQAPKT IRDAFcVFEQ DATA SEQUENCE NQGLPLRRHH SDLYSHYFGG LAETVLVVRS MSTLLNXDYV WDTVFHPSGA DATA SEQUENCE IEIRFYATGY ISSAFLFXXX GKYGNQVSEH TLGTVHTHSA HFKVDLDVAG DATA SEQUENCE LENWVWAEDM VFVPMAVPWS PEHQLQRLQV TRKLLEMEEQ AAFLVGSATP DATA SEQUENCE RYLYLASNHS NKWGHPRGYR IQMLSFAGEP LPQNSSMARG FSWERYQLAV DATA SEQUENCE TQRKEEEPSS SSVFNQNDPW APTVDFSDFI NNETIAGKDL VAWVTAGFLH DATA SEQUENCE IPHAEDIPNT VTVGNGVGFF LRPYNFFDED PSFYSADSIY FRGDQDAGAc DATA SEQUENCE EVNPLAcLPQ AAAcAPDLPA FSHGGFSH 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 35 P HA 0.000 nan 4.420 nan 0.000 0.216 35 P C 0.000 177.296 177.300 -0.007 0.000 1.155 35 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 35 P CB 0.000 31.695 31.700 -0.008 0.000 0.726 36 S N -0.621 115.074 115.700 -0.009 0.000 2.500 36 S HA 0.734 5.204 4.470 -0.000 0.000 0.301 36 S C -0.927 173.664 174.600 -0.016 0.000 1.092 36 S CA 0.345 58.539 58.200 -0.010 0.000 1.030 36 S CB 1.231 64.425 63.200 -0.009 0.000 1.031 36 S HN 0.790 nan 8.310 nan 0.000 0.483 37 Q N 3.832 123.621 119.800 -0.017 0.000 2.414 37 Q HA 0.523 4.863 4.340 -0.000 0.000 0.256 37 Q C -0.630 175.350 176.000 -0.034 0.000 0.974 37 Q CA -0.659 55.128 55.803 -0.027 0.000 0.723 37 Q CB 0.740 29.464 28.738 -0.023 0.000 1.281 37 Q HN 0.909 nan 8.270 nan 0.000 0.470 38 L N 3.567 124.763 121.223 -0.045 0.000 2.499 38 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 38 L C -1.459 175.356 176.870 -0.092 0.000 1.195 38 L CA -1.101 53.706 54.840 -0.055 0.000 0.882 38 L CB 0.418 42.440 42.059 -0.062 0.000 1.133 38 L HN 0.650 nan 8.230 nan 0.000 0.483 39 P HA 0.328 nan 4.420 nan 0.000 0.304 39 P C -0.969 176.243 177.300 -0.147 0.000 1.310 39 P CA -0.692 62.358 63.100 -0.083 0.000 0.796 39 P CB 0.847 32.547 31.700 -0.001 0.000 1.297 40 H N -1.163 117.913 119.070 0.011 0.000 2.525 40 H HA 0.213 4.769 4.556 0.000 0.000 0.339 40 H C 0.152 175.505 175.328 0.042 0.000 1.109 40 H CA -0.148 55.907 56.048 0.012 0.000 1.352 40 H CB 0.628 30.396 29.762 0.011 0.000 1.461 40 H HN 0.401 nan 8.280 nan 0.000 0.533 41 c N 4.513 123.243 118.600 0.218 0.000 2.595 41 c HA 0.204 4.774 4.570 -0.000 0.000 0.384 41 c C -1.405 172.789 174.090 0.173 0.000 1.289 41 c CA -1.274 55.178 56.329 0.204 0.000 2.372 41 c CB -0.374 42.313 42.510 0.296 0.000 2.593 41 c HN 0.653 nan 8.230 nan 0.000 0.639 42 P HA 0.245 nan 4.420 nan 0.000 0.271 42 P C -0.034 177.331 177.300 0.108 0.000 1.228 42 P CA 0.634 63.801 63.100 0.112 0.000 0.797 42 P CB 0.282 32.045 31.700 0.104 0.000 0.914 58 Q N 4.447 124.258 119.800 0.018 0.000 2.810 58 Q HA 0.279 4.619 4.340 -0.000 0.000 0.236 58 Q C 0.772 176.719 176.000 -0.087 0.000 1.278 58 Q CA -0.226 55.569 55.803 -0.014 0.000 1.065 58 Q CB 0.873 29.599 28.738 -0.020 0.000 1.364 58 Q HN 0.768 nan 8.270 nan 0.000 0.570 59 L N -0.805 120.312 121.223 -0.176 0.000 2.638 59 L HA 0.248 4.588 4.340 -0.000 0.000 0.232 59 L C 0.301 176.806 176.870 -0.610 0.000 1.099 59 L CA 0.351 54.946 54.840 -0.408 0.000 0.883 59 L CB 0.443 42.197 42.059 -0.508 0.000 1.136 59 L HN 0.325 nan 8.230 nan 0.000 0.492 60 F N 0.543 120.379 119.950 -0.189 0.000 2.706 60 F HA 0.439 4.966 4.527 0.000 0.000 0.313 60 F C 1.343 177.015 175.800 -0.214 0.000 1.096 60 F CA -0.375 57.428 58.000 -0.328 0.000 1.219 60 F CB 0.217 38.919 39.000 -0.497 0.000 1.051 60 F HN 0.022 nan 8.300 nan 0.000 0.568 61 A N 0.605 123.412 122.820 -0.022 0.000 2.498 61 A HA 0.118 4.438 4.320 -0.000 0.000 0.239 61 A C 0.148 177.718 177.584 -0.023 0.000 1.068 61 A CA -0.352 51.652 52.037 -0.054 0.000 0.766 61 A CB 0.019 18.979 19.000 -0.067 0.000 1.003 61 A HN 0.126 nan 8.150 nan 0.000 0.497 62 D N 0.868 121.272 120.400 0.007 0.000 2.400 62 D HA 0.178 4.818 4.640 -0.000 0.000 0.238 62 D C 0.374 176.693 176.300 0.033 0.000 1.157 62 D CA 0.342 54.392 54.000 0.084 0.000 0.889 62 D CB 0.455 41.394 40.800 0.232 0.000 1.199 62 D HN 0.439 nan 8.370 nan 0.000 0.436 63 L N 1.382 122.620 121.223 0.024 0.000 2.525 63 L HA -0.030 4.310 4.340 -0.000 0.000 0.278 63 L C 1.305 178.176 176.870 0.003 0.000 1.218 63 L CA 0.047 54.883 54.840 -0.007 0.000 0.878 63 L CB 0.184 42.229 42.059 -0.023 0.000 1.127 63 L HN 0.398 nan 8.230 nan 0.000 0.492 64 S N 2.908 118.611 115.700 0.005 0.000 2.632 64 S HA 0.278 4.748 4.470 -0.000 0.000 0.267 64 S C 1.139 175.711 174.600 -0.047 0.000 1.276 64 S CA -0.734 57.489 58.200 0.037 0.000 0.998 64 S CB 1.241 64.450 63.200 0.015 0.000 0.953 64 S HN 0.618 nan 8.310 nan 0.000 0.547 65 R N 0.760 121.184 120.500 -0.127 0.000 2.159 65 R HA -0.231 4.109 4.340 -0.000 0.000 0.249 65 R C 2.138 178.354 176.300 -0.139 0.000 1.136 65 R CA 2.514 58.487 56.100 -0.212 0.000 0.951 65 R CB -0.652 29.464 30.300 -0.306 0.000 0.876 65 R HN 0.766 nan 8.270 nan 0.000 0.440 66 E N 0.195 120.332 120.200 -0.104 0.000 2.017 66 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 66 E C 1.911 178.469 176.600 -0.071 0.000 0.997 66 E CA 1.339 57.692 56.400 -0.079 0.000 0.804 66 E CB -0.116 29.547 29.700 -0.062 0.000 0.757 66 E HN 0.360 nan 8.360 nan 0.000 0.448 67 E N 0.336 120.496 120.200 -0.066 0.000 2.114 67 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 67 E C 2.116 178.675 176.600 -0.069 0.000 1.008 67 E CA 1.101 57.462 56.400 -0.066 0.000 0.810 67 E CB -0.215 29.449 29.700 -0.060 0.000 0.739 67 E HN 0.195 nan 8.360 nan 0.000 0.456 68 L N 0.275 121.451 121.223 -0.078 0.000 1.994 68 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 68 L C 2.683 179.509 176.870 -0.074 0.000 1.071 68 L CA 1.399 56.188 54.840 -0.084 0.000 0.745 68 L CB -0.722 41.264 42.059 -0.122 0.000 0.892 68 L HN 0.147 nan 8.230 nan 0.000 0.431 69 T N 0.015 114.519 114.554 -0.083 0.000 2.665 69 T HA -0.286 4.064 4.350 -0.000 0.000 0.268 69 T C 1.974 176.655 174.700 -0.032 0.000 1.035 69 T CA 1.630 63.692 62.100 -0.064 0.000 1.151 69 T CB -0.359 68.467 68.868 -0.070 0.000 0.862 69 T HN 0.478 nan 8.240 nan 0.000 0.438 70 A N 0.607 123.406 122.820 -0.034 0.000 1.917 70 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 70 A C 2.572 180.164 177.584 0.013 0.000 1.182 70 A CA 1.810 53.838 52.037 -0.015 0.000 0.633 70 A CB -0.964 18.012 19.000 -0.041 0.000 0.819 70 A HN 0.403 nan 8.150 nan 0.000 0.448 71 V N -1.116 118.790 119.914 -0.014 0.000 2.488 71 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 71 V C 2.486 178.626 176.094 0.076 0.000 1.046 71 V CA 2.029 64.331 62.300 0.003 0.000 1.053 71 V CB -0.532 31.267 31.823 -0.040 0.000 0.679 71 V HN 0.628 nan 8.190 nan 0.000 0.458 72 M N 1.159 120.781 119.600 0.035 0.000 2.086 72 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 72 M C 2.384 178.720 176.300 0.059 0.000 1.067 72 M CA 2.584 57.906 55.300 0.038 0.000 1.116 72 M CB -0.756 31.841 32.600 -0.005 0.000 1.348 72 M HN 0.288 nan 8.290 nan 0.000 0.407 73 R N -0.217 120.316 120.500 0.054 0.000 2.097 73 R HA -0.229 4.111 4.340 -0.000 0.000 0.236 73 R C 2.243 178.596 176.300 0.088 0.000 1.135 73 R CA 2.478 58.610 56.100 0.053 0.000 0.934 73 R CB -2.539 27.788 30.300 0.045 0.000 0.846 73 R HN 0.660 nan 8.270 nan 0.000 0.431 74 F N 0.885 120.823 119.950 -0.020 0.000 2.154 74 F HA -0.118 4.409 4.527 0.000 0.000 0.301 74 F C 2.193 177.995 175.800 0.004 0.000 1.087 74 F CA 1.865 59.856 58.000 -0.015 0.000 1.274 74 F CB -0.090 38.889 39.000 -0.035 0.000 1.009 74 F HN 0.172 nan 8.300 nan 0.000 0.485 75 L N -0.287 121.074 121.223 0.230 0.000 2.005 75 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 75 L C 2.790 179.686 176.870 0.044 0.000 1.072 75 L CA 1.871 56.802 54.840 0.152 0.000 0.744 75 L CB -1.171 40.978 42.059 0.150 0.000 0.895 75 L HN 0.327 nan 8.230 nan 0.000 0.433 76 T N -2.669 111.904 114.554 0.033 0.000 2.699 76 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 76 T C 2.013 176.699 174.700 -0.024 0.000 1.036 76 T CA 1.978 64.086 62.100 0.014 0.000 1.147 76 T CB -0.646 68.230 68.868 0.013 0.000 0.862 76 T HN 0.430 nan 8.240 nan 0.000 0.446 77 Q N 1.442 121.197 119.800 -0.075 0.000 1.967 77 Q HA 0.051 4.391 4.340 -0.000 0.000 0.202 77 Q C 2.413 178.317 176.000 -0.159 0.000 0.985 77 Q CA 1.909 57.635 55.803 -0.128 0.000 0.839 77 Q CB -0.901 27.722 28.738 -0.193 0.000 0.906 77 Q HN 0.726 nan 8.270 nan 0.000 0.423 78 R N -0.860 119.475 120.500 -0.275 0.000 2.313 78 R HA 0.211 4.551 4.340 -0.000 0.000 0.199 78 R C 1.410 177.669 176.300 -0.068 0.000 0.958 78 R CA 0.261 56.204 56.100 -0.260 0.000 1.047 78 R CB 0.069 30.034 30.300 -0.558 0.000 0.955 78 R HN 0.412 nan 8.270 nan 0.000 0.481 79 L N -0.723 120.499 121.223 -0.002 0.000 2.616 79 L HA 0.378 4.718 4.340 -0.000 0.000 0.229 79 L C -0.009 176.913 176.870 0.087 0.000 1.110 79 L CA 0.694 55.590 54.840 0.094 0.000 0.884 79 L CB 0.623 42.773 42.059 0.152 0.000 1.115 79 L HN 0.199 nan 8.230 nan 0.000 0.481 80 G N 0.922 109.743 108.800 0.036 0.000 3.399 80 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.685 80 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.685 80 G C -2.279 172.648 174.900 0.046 0.000 0.952 80 G CA -0.559 44.559 45.100 0.030 0.000 0.793 80 G HN 0.176 nan 8.290 nan 0.000 0.492 81 P HA 0.420 nan 4.420 nan 0.000 0.272 81 P C 1.265 178.595 177.300 0.049 0.000 1.243 81 P CA 1.622 64.745 63.100 0.037 0.000 0.803 81 P CB 0.365 32.078 31.700 0.023 0.000 0.974 82 G N -1.920 106.911 108.800 0.053 0.000 2.154 82 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.186 82 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.186 82 G C -0.680 174.270 174.900 0.082 0.000 1.000 82 G CA -0.494 44.645 45.100 0.064 0.000 0.664 82 G HN 0.539 nan 8.290 nan 0.000 0.513 83 L N 1.841 123.109 121.223 0.075 0.000 2.282 83 L HA 0.785 5.125 4.340 -0.000 0.000 0.288 83 L C 0.178 177.091 176.870 0.071 0.000 1.033 83 L CA -1.099 53.790 54.840 0.082 0.000 0.807 83 L CB 1.831 43.935 42.059 0.074 0.000 1.209 83 L HN 0.066 nan 8.230 nan 0.000 0.423 84 V N 3.676 123.639 119.914 0.081 0.000 2.483 84 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 84 V C -0.125 176.015 176.094 0.076 0.000 1.035 84 V CA -1.068 61.281 62.300 0.080 0.000 0.896 84 V CB 1.534 33.416 31.823 0.098 0.000 0.986 84 V HN 0.691 nan 8.190 nan 0.000 0.447 85 D N 3.214 123.657 120.400 0.070 0.000 2.570 85 D HA 0.013 4.653 4.640 -0.000 0.000 0.243 85 D C 1.252 177.614 176.300 0.103 0.000 1.171 85 D CA 0.789 54.833 54.000 0.074 0.000 0.879 85 D CB 1.455 42.299 40.800 0.074 0.000 1.143 85 D HN 0.722 nan 8.370 nan 0.000 0.511 86 A N 4.538 127.416 122.820 0.098 0.000 1.997 86 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 86 A C 2.185 179.894 177.584 0.208 0.000 1.172 86 A CA 2.189 54.310 52.037 0.140 0.000 0.645 86 A CB -0.543 18.522 19.000 0.108 0.000 0.813 86 A HN 0.701 nan 8.150 nan 0.000 0.454 87 A N -1.414 121.528 122.820 0.204 0.000 1.972 87 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 87 A C 2.082 179.822 177.584 0.261 0.000 1.169 87 A CA 1.637 53.846 52.037 0.287 0.000 0.635 87 A CB -0.262 18.895 19.000 0.263 0.000 0.810 87 A HN 0.577 nan 8.150 nan 0.000 0.446 88 Q N -0.853 119.057 119.800 0.184 0.000 2.392 88 Q HA 0.316 4.656 4.340 -0.000 0.000 0.219 88 Q C 0.977 177.059 176.000 0.137 0.000 0.895 88 Q CA 0.528 56.416 55.803 0.141 0.000 0.929 88 Q CB -0.474 28.330 28.738 0.110 0.000 1.077 88 Q HN 0.575 nan 8.270 nan 0.000 0.532 89 A N 2.878 125.795 122.820 0.161 0.000 2.616 89 A HA -0.051 4.269 4.320 -0.000 0.000 0.234 89 A C 0.241 177.934 177.584 0.181 0.000 1.024 89 A CA 0.635 52.778 52.037 0.177 0.000 0.758 89 A CB 0.165 19.296 19.000 0.219 0.000 0.939 89 A HN 0.066 nan 8.150 nan 0.000 0.510 90 R N 2.334 122.934 120.500 0.167 0.000 2.856 90 R HA 0.392 4.732 4.340 -0.000 0.000 0.258 90 R C -2.134 174.299 176.300 0.220 0.000 1.066 90 R CA -2.138 54.058 56.100 0.159 0.000 1.045 90 R CB -0.184 30.166 30.300 0.082 0.000 1.178 90 R HN 0.368 nan 8.270 nan 0.000 0.499 91 P HA -0.156 nan 4.420 nan 0.000 0.216 91 P C 0.795 178.269 177.300 0.291 0.000 1.153 91 P CA 1.615 64.914 63.100 0.332 0.000 0.858 91 P CB 0.120 32.024 31.700 0.341 0.000 0.789 92 S N -2.410 113.388 115.700 0.163 0.000 2.603 92 S HA 0.046 4.516 4.470 -0.000 0.000 0.220 92 S C 0.647 175.310 174.600 0.105 0.000 0.967 92 S CA -0.100 58.152 58.200 0.087 0.000 0.920 92 S CB -0.714 62.513 63.200 0.047 0.000 0.773 92 S HN 0.073 nan 8.310 nan 0.000 0.529 93 D N 2.698 123.193 120.400 0.158 0.000 2.358 93 D HA 0.299 4.939 4.640 -0.000 0.000 0.244 93 D C -0.357 176.070 176.300 0.211 0.000 1.163 93 D CA -0.023 54.076 54.000 0.164 0.000 0.945 93 D CB 0.398 41.297 40.800 0.164 0.000 1.152 93 D HN 0.093 nan 8.370 nan 0.000 0.451 94 N N -0.296 118.519 118.700 0.191 0.000 2.443 94 N HA 0.393 5.133 4.740 -0.000 0.000 0.295 94 N C -1.107 174.489 175.510 0.144 0.000 1.076 94 N CA -0.252 52.924 53.050 0.210 0.000 0.919 94 N CB 1.369 40.011 38.487 0.258 0.000 1.176 94 N HN 0.227 nan 8.380 nan 0.000 0.487 95 C N 1.515 120.864 119.300 0.082 0.000 2.985 95 C HA 0.474 4.934 4.460 -0.000 0.000 0.332 95 C C -0.977 173.966 174.990 -0.077 0.000 1.164 95 C CA -0.538 58.501 59.018 0.035 0.000 1.347 95 C CB 1.034 28.828 27.740 0.089 0.000 1.764 95 C HN 0.431 nan 8.230 nan 0.000 0.489 96 V N 5.714 125.597 119.914 -0.051 0.000 2.364 96 V HA 0.293 4.413 4.120 -0.000 0.000 0.272 96 V C 0.388 176.440 176.094 -0.069 0.000 1.036 96 V CA 0.061 62.327 62.300 -0.056 0.000 0.880 96 V CB 1.144 32.962 31.823 -0.008 0.000 0.991 96 V HN 0.880 nan 8.190 nan 0.000 0.460 97 F N 4.173 123.932 119.950 -0.318 0.000 2.262 97 F HA 0.211 4.738 4.527 -0.000 0.000 0.292 97 F C 1.166 176.944 175.800 -0.037 0.000 1.081 97 F CA 0.754 58.542 58.000 -0.353 0.000 1.355 97 F CB 0.487 39.046 39.000 -0.735 0.000 1.069 97 F HN 0.540 nan 8.300 nan 0.000 0.506 98 S N 0.093 115.779 115.700 -0.024 0.000 2.533 98 S HA 0.696 5.166 4.470 -0.000 0.000 0.271 98 S C -1.562 173.078 174.600 0.066 0.000 1.143 98 S CA -0.664 57.524 58.200 -0.021 0.000 0.891 98 S CB 1.581 64.893 63.200 0.185 0.000 1.105 98 S HN -0.037 nan 8.310 nan 0.000 0.468 99 V N 2.827 122.755 119.914 0.023 0.000 2.525 99 V HA 0.786 4.906 4.120 -0.000 0.000 0.299 99 V C -0.439 175.670 176.094 0.025 0.000 1.034 99 V CA -0.376 61.945 62.300 0.036 0.000 0.863 99 V CB 0.998 32.822 31.823 0.002 0.000 0.999 99 V HN 1.118 nan 8.190 nan 0.000 0.423 100 E N 4.241 124.478 120.200 0.062 0.000 2.445 100 E HA 0.615 4.965 4.350 -0.000 0.000 0.279 100 E C -1.220 175.425 176.600 0.076 0.000 1.018 100 E CA -1.235 55.204 56.400 0.064 0.000 0.816 100 E CB 2.037 31.789 29.700 0.086 0.000 1.356 100 E HN 0.411 nan 8.360 nan 0.000 0.462 101 L N 1.728 122.996 121.223 0.075 0.000 2.578 101 L HA 0.071 4.411 4.340 -0.000 0.000 0.279 101 L C -0.278 176.643 176.870 0.084 0.000 1.227 101 L CA 0.780 55.657 54.840 0.060 0.000 0.900 101 L CB 0.445 42.538 42.059 0.057 0.000 1.144 101 L HN 0.669 nan 8.230 nan 0.000 0.496 102 Q N 4.444 124.283 119.800 0.064 0.000 2.303 102 Q HA 0.440 4.780 4.340 -0.000 0.000 0.257 102 Q C -1.146 174.892 176.000 0.064 0.000 0.941 102 Q CA -0.083 55.771 55.803 0.085 0.000 0.931 102 Q CB 0.749 29.535 28.738 0.082 0.000 1.215 102 Q HN 0.736 nan 8.270 nan 0.000 0.437 103 L N 6.721 128.002 121.223 0.096 0.000 2.461 103 L HA 0.368 4.708 4.340 -0.000 0.000 0.272 103 L C -1.672 175.244 176.870 0.077 0.000 1.197 103 L CA -1.628 53.263 54.840 0.084 0.000 0.836 103 L CB 0.322 42.483 42.059 0.170 0.000 1.105 103 L HN 0.689 nan 8.230 nan 0.000 0.477 104 P HA 0.257 nan 4.420 nan 0.000 0.274 104 P C -2.622 174.744 177.300 0.111 0.000 1.246 104 P CA -1.489 61.629 63.100 0.030 0.000 0.795 104 P CB -0.248 31.408 31.700 -0.072 0.000 1.006 105 P HA 0.152 nan 4.420 nan 0.000 0.272 105 P C 0.999 178.355 177.300 0.093 0.000 1.223 105 P CA -0.171 62.975 63.100 0.077 0.000 0.784 105 P CB 0.699 32.421 31.700 0.037 0.000 0.923 106 K N 1.685 122.107 120.400 0.037 0.000 2.031 106 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 106 K C 1.852 178.437 176.600 -0.025 0.000 1.049 106 K CA 1.485 57.726 56.287 -0.076 0.000 0.939 106 K CB -0.566 31.720 32.500 -0.357 0.000 0.717 106 K HN 0.492 nan 8.250 nan 0.000 0.438 107 A N 1.319 124.125 122.820 -0.024 0.000 1.892 107 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 107 A C 2.327 179.932 177.584 0.034 0.000 1.188 107 A CA 2.337 54.373 52.037 -0.001 0.000 0.631 107 A CB -0.834 18.163 19.000 -0.006 0.000 0.822 107 A HN 0.464 nan 8.150 nan 0.000 0.447 108 A N -0.424 122.419 122.820 0.038 0.000 1.873 108 A HA 0.198 4.518 4.320 -0.000 0.000 0.215 108 A C 2.544 180.177 177.584 0.081 0.000 1.186 108 A CA 2.128 54.192 52.037 0.045 0.000 0.616 108 A CB -1.128 17.883 19.000 0.018 0.000 0.823 108 A HN 1.168 nan 8.150 nan 0.000 0.442 109 A N -0.244 122.638 122.820 0.103 0.000 1.917 109 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 109 A C 2.207 179.934 177.584 0.237 0.000 1.182 109 A CA 1.668 53.803 52.037 0.163 0.000 0.633 109 A CB -0.598 18.580 19.000 0.297 0.000 0.819 109 A HN 0.485 nan 8.150 nan 0.000 0.448 110 L N -1.168 120.180 121.223 0.208 0.000 2.023 110 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 110 L C 3.157 180.104 176.870 0.129 0.000 1.073 110 L CA 0.926 55.875 54.840 0.181 0.000 0.745 110 L CB -0.739 41.392 42.059 0.120 0.000 0.900 110 L HN 0.436 nan 8.230 nan 0.000 0.435 111 A N -0.109 122.773 122.820 0.103 0.000 1.940 111 A HA -0.370 3.950 4.320 -0.000 0.000 0.221 111 A C 2.116 179.765 177.584 0.108 0.000 1.190 111 A CA 2.593 54.682 52.037 0.087 0.000 0.647 111 A CB -1.018 18.025 19.000 0.073 0.000 0.821 111 A HN 0.593 nan 8.150 nan 0.000 0.457 112 H N -0.561 118.531 119.070 0.036 0.000 2.326 112 H HA 0.078 4.634 4.556 0.000 0.000 0.301 112 H C 1.753 177.105 175.328 0.041 0.000 1.081 112 H CA 1.873 57.935 56.048 0.024 0.000 1.334 112 H CB -0.307 29.454 29.762 -0.001 0.000 1.385 112 H HN 0.358 nan 8.280 nan 0.000 0.504 113 L N -0.240 120.962 121.223 -0.035 0.000 2.093 113 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 113 L C 1.485 178.326 176.870 -0.048 0.000 1.085 113 L CA 1.390 56.187 54.840 -0.072 0.000 0.755 113 L CB -0.085 42.051 42.059 0.128 0.000 0.904 113 L HN 0.392 nan 8.230 nan 0.000 0.435 114 D N -1.067 119.337 120.400 0.006 0.000 3.161 114 D HA 0.023 4.663 4.640 -0.000 0.000 0.287 114 D C 2.404 178.707 176.300 0.005 0.000 1.343 114 D CA 0.989 55.001 54.000 0.020 0.000 1.070 114 D CB -0.325 40.509 40.800 0.058 0.000 1.188 114 D HN 0.011 nan 8.370 nan 0.000 0.409 115 R N 0.995 121.507 120.500 0.020 0.000 2.200 115 R HA 0.081 4.421 4.340 -0.000 0.000 0.234 115 R C 1.826 178.130 176.300 0.007 0.000 1.127 115 R CA 1.950 58.061 56.100 0.019 0.000 0.989 115 R CB -1.516 28.803 30.300 0.032 0.000 0.869 115 R HN 0.457 nan 8.270 nan 0.000 0.459 116 G N -1.347 107.444 108.800 -0.016 0.000 2.176 116 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 116 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 116 G C 0.643 175.570 174.900 0.045 0.000 0.979 116 G CA 0.562 45.647 45.100 -0.025 0.000 0.641 116 G HN 0.873 nan 8.290 nan 0.000 0.530 117 S N 2.037 117.783 115.700 0.078 0.000 2.592 117 S HA 0.431 4.901 4.470 -0.000 0.000 0.256 117 S C -1.321 173.394 174.600 0.192 0.000 1.369 117 S CA -0.029 58.233 58.200 0.104 0.000 0.984 117 S CB 0.635 63.883 63.200 0.081 0.000 0.919 117 S HN 0.494 nan 8.310 nan 0.000 0.576 118 P HA 0.280 nan 4.420 nan 0.000 0.272 118 P C -2.769 174.487 177.300 -0.072 0.000 1.240 118 P CA -1.467 61.665 63.100 0.054 0.000 0.791 118 P CB -0.899 30.802 31.700 0.002 0.000 0.978 119 P HA 0.201 nan 4.420 nan 0.000 0.271 119 P C -2.008 175.158 177.300 -0.223 0.000 1.218 119 P CA -1.052 61.731 63.100 -0.529 0.000 0.780 119 P CB -1.168 30.179 31.700 -0.589 0.000 0.901 120 P HA 0.122 nan 4.420 nan 0.000 0.272 120 P C -0.613 176.629 177.300 -0.097 0.000 1.230 120 P CA -0.335 62.706 63.100 -0.097 0.000 0.788 120 P CB 0.362 32.020 31.700 -0.069 0.000 0.949 121 A N 2.310 125.103 122.820 -0.044 0.000 2.566 121 A HA -0.024 4.296 4.320 -0.000 0.000 0.245 121 A C 0.695 178.256 177.584 -0.037 0.000 1.056 121 A CA 0.092 52.122 52.037 -0.012 0.000 0.757 121 A CB -0.609 18.435 19.000 0.074 0.000 0.979 121 A HN 0.583 nan 8.150 nan 0.000 0.508 122 R N 2.408 122.869 120.500 -0.064 0.000 2.248 122 R HA 0.319 4.659 4.340 -0.000 0.000 0.328 122 R C -0.254 176.007 176.300 -0.066 0.000 1.067 122 R CA 0.167 56.218 56.100 -0.082 0.000 0.924 122 R CB 0.293 30.532 30.300 -0.103 0.000 1.013 122 R HN 0.882 nan 8.270 nan 0.000 0.454 123 E N 1.952 122.126 120.200 -0.044 0.000 2.355 123 E HA 0.700 5.050 4.350 -0.000 0.000 0.261 123 E C -1.263 175.318 176.600 -0.032 0.000 0.943 123 E CA -1.312 55.067 56.400 -0.036 0.000 0.806 123 E CB 1.989 31.712 29.700 0.040 0.000 1.286 123 E HN 0.631 nan 8.360 nan 0.000 0.424 124 A N 0.827 123.630 122.820 -0.029 0.000 2.515 124 A HA 0.670 4.990 4.320 -0.000 0.000 0.296 124 A C -1.781 175.831 177.584 0.046 0.000 1.094 124 A CA -0.583 51.455 52.037 0.001 0.000 0.718 124 A CB 1.193 20.175 19.000 -0.030 0.000 1.307 124 A HN 0.387 nan 8.150 nan 0.000 0.408 125 L N 1.164 122.439 121.223 0.087 0.000 2.322 125 L HA 0.845 5.185 4.340 -0.000 0.000 0.281 125 L C 0.003 176.960 176.870 0.145 0.000 1.014 125 L CA -0.032 54.887 54.840 0.132 0.000 0.815 125 L CB 1.603 43.765 42.059 0.172 0.000 1.247 125 L HN 1.035 nan 8.230 nan 0.000 0.421 126 A N 5.950 128.864 122.820 0.158 0.000 2.342 126 A HA 0.758 5.078 4.320 -0.000 0.000 0.323 126 A C -0.874 176.838 177.584 0.214 0.000 1.125 126 A CA -0.511 51.623 52.037 0.161 0.000 0.785 126 A CB 0.715 19.790 19.000 0.124 0.000 1.221 126 A HN 0.676 nan 8.150 nan 0.000 0.463 127 I N 2.567 123.293 120.570 0.260 0.000 2.321 127 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 127 I C -0.710 175.526 176.117 0.198 0.000 0.998 127 I CA -0.613 60.882 61.300 0.325 0.000 1.227 127 I CB 1.662 39.972 38.000 0.516 0.000 1.368 127 I HN 0.285 nan 8.210 nan 0.000 0.466 128 V N 6.750 126.734 119.914 0.117 0.000 2.448 128 V HA 0.378 4.498 4.120 -0.000 0.000 0.295 128 V C -0.364 175.727 176.094 -0.005 0.000 1.025 128 V CA -0.638 61.591 62.300 -0.118 0.000 0.859 128 V CB 1.539 33.118 31.823 -0.407 0.000 0.988 128 V HN 0.316 nan 8.190 nan 0.000 0.431 129 F N 4.565 124.429 119.950 -0.142 0.000 2.424 129 F HA 0.493 5.020 4.527 -0.000 0.000 0.356 129 F C -0.017 175.748 175.800 -0.058 0.000 1.110 129 F CA -1.463 56.544 58.000 0.011 0.000 1.161 129 F CB 0.410 39.484 39.000 0.124 0.000 1.115 129 F HN 0.313 nan 8.300 nan 0.000 0.507 130 F N 2.128 122.332 119.950 0.423 0.000 2.300 130 F HA 0.401 4.928 4.527 0.000 0.000 0.364 130 F C 1.183 176.986 175.800 0.005 0.000 1.090 130 F CA -0.835 57.282 58.000 0.194 0.000 1.200 130 F CB 0.819 39.893 39.000 0.124 0.000 1.493 130 F HN 0.587 nan 8.300 nan 0.000 0.518 131 G N 0.877 109.779 108.800 0.170 0.000 2.441 131 G HA2 0.020 3.980 3.960 -0.000 0.000 0.212 131 G HA3 0.020 3.980 3.960 -0.000 0.000 0.212 131 G C 1.329 176.206 174.900 -0.038 0.000 1.164 131 G CA -0.008 45.027 45.100 -0.108 0.000 0.811 131 G HN 0.501 nan 8.290 nan 0.000 0.535 132 R N 0.851 121.394 120.500 0.071 0.000 3.152 132 R HA 0.516 4.855 4.340 -0.000 0.000 0.209 132 R C 0.048 176.361 176.300 0.022 0.000 1.649 132 R CA 0.342 56.471 56.100 0.049 0.000 1.185 132 R CB -1.226 29.120 30.300 0.076 0.000 1.258 132 R HN 0.558 nan 8.270 nan 0.000 0.656 133 Q N 0.233 120.020 119.800 -0.022 0.000 2.503 133 Q HA 0.187 4.527 4.340 -0.000 0.000 0.268 133 Q C -2.127 173.840 176.000 -0.055 0.000 0.982 133 Q CA -1.687 54.092 55.803 -0.039 0.000 0.907 133 Q CB 2.805 31.516 28.738 -0.046 0.000 1.467 133 Q HN 0.297 nan 8.270 nan 0.000 0.394 134 P HA -0.167 nan 4.420 nan 0.000 0.215 134 P C -0.403 176.870 177.300 -0.045 0.000 1.157 134 P CA 1.387 64.464 63.100 -0.038 0.000 0.868 134 P CB 0.340 32.023 31.700 -0.029 0.000 0.788 135 Q N -0.279 119.493 119.800 -0.047 0.000 2.560 135 Q HA 0.287 4.627 4.340 -0.000 0.000 0.238 135 Q C -2.460 173.505 176.000 -0.059 0.000 1.079 135 Q CA -1.878 53.900 55.803 -0.042 0.000 0.866 135 Q CB 0.842 29.567 28.738 -0.021 0.000 1.153 135 Q HN 0.181 nan 8.270 nan 0.000 0.530 136 P HA 0.151 nan 4.420 nan 0.000 0.275 136 P C -0.946 176.318 177.300 -0.061 0.000 1.228 136 P CA -0.420 62.542 63.100 -0.232 0.000 0.786 136 P CB 0.889 32.163 31.700 -0.711 0.000 0.927 137 N N 0.281 119.057 118.700 0.126 0.000 2.525 137 N HA 0.415 5.155 4.740 -0.000 0.000 0.270 137 N C -1.587 174.148 175.510 0.375 0.000 1.321 137 N CA -1.047 52.151 53.050 0.246 0.000 0.797 137 N CB 0.758 39.340 38.487 0.157 0.000 1.529 137 N HN 0.008 nan 8.380 nan 0.000 0.491 138 V N 0.403 120.413 119.914 0.160 0.000 2.481 138 V HA 0.622 4.742 4.120 -0.000 0.000 0.286 138 V C -0.112 176.065 176.094 0.139 0.000 1.042 138 V CA -0.367 61.996 62.300 0.105 0.000 0.928 138 V CB 1.125 32.843 31.823 -0.174 0.000 0.986 138 V HN 0.788 nan 8.190 nan 0.000 0.462 139 S N 3.023 118.863 115.700 0.234 0.000 2.526 139 S HA 0.508 4.978 4.470 -0.000 0.000 0.293 139 S C -0.715 174.043 174.600 0.263 0.000 1.092 139 S CA -0.730 57.635 58.200 0.275 0.000 0.980 139 S CB 1.732 65.208 63.200 0.460 0.000 1.048 139 S HN 0.786 nan 8.310 nan 0.000 0.483 140 E N 1.673 122.031 120.200 0.264 0.000 2.133 140 E HA 0.431 4.781 4.350 -0.000 0.000 0.274 140 E C -1.463 175.272 176.600 0.225 0.000 0.930 140 E CA -0.605 55.957 56.400 0.270 0.000 0.770 140 E CB 0.905 30.784 29.700 0.299 0.000 1.104 140 E HN 0.138 nan 8.360 nan 0.000 0.403 141 L N 3.796 125.147 121.223 0.214 0.000 2.349 141 L HA 0.325 4.665 4.340 -0.000 0.000 0.278 141 L C -0.662 176.308 176.870 0.166 0.000 0.996 141 L CA -0.844 54.113 54.840 0.196 0.000 0.825 141 L CB 1.775 43.959 42.059 0.209 0.000 1.243 141 L HN 0.310 nan 8.230 nan 0.000 0.412 142 V N 4.768 124.777 119.914 0.159 0.000 2.432 142 V HA 0.456 4.576 4.120 -0.000 0.000 0.271 142 V C 0.018 176.183 176.094 0.118 0.000 1.046 142 V CA -0.535 61.850 62.300 0.141 0.000 0.945 142 V CB 1.627 33.545 31.823 0.158 0.000 0.992 142 V HN 0.440 nan 8.190 nan 0.000 0.471 143 V N 4.608 124.523 119.914 0.002 0.000 2.495 143 V HA 0.989 5.109 4.120 -0.000 0.000 0.298 143 V C 0.521 176.370 176.094 -0.410 0.000 1.031 143 V CA 0.199 62.368 62.300 -0.219 0.000 0.871 143 V CB 1.338 33.037 31.823 -0.208 0.000 0.988 143 V HN 1.068 nan 8.190 nan 0.000 0.432 144 G N 5.321 113.555 108.800 -0.943 0.000 2.554 144 G HA2 0.663 4.623 3.960 -0.000 0.000 0.306 144 G HA3 0.663 4.623 3.960 -0.000 0.000 0.306 144 G C -3.496 170.529 174.900 -1.459 0.000 1.320 144 G CA -0.832 43.701 45.100 -0.945 0.000 0.800 144 G HN 0.469 nan 8.290 nan 0.000 0.481 145 P HA 0.562 nan 4.420 nan 0.000 0.294 145 P C -0.536 176.634 177.300 -0.217 0.000 1.294 145 P CA -0.559 62.399 63.100 -0.236 0.000 0.827 145 P CB 1.747 33.444 31.700 -0.005 0.000 0.992 146 L N 5.552 126.668 121.223 -0.178 0.000 2.467 146 L HA 0.192 4.532 4.340 -0.000 0.000 0.270 146 L C -0.617 176.194 176.870 -0.099 0.000 1.205 146 L CA -0.783 53.973 54.840 -0.139 0.000 0.828 146 L CB -0.509 41.478 42.059 -0.119 0.000 1.101 146 L HN 0.377 nan 8.230 nan 0.000 0.479 147 P HA 0.016 nan 4.420 nan 0.000 0.245 147 P C -0.129 177.123 177.300 -0.080 0.000 1.206 147 P CA 0.849 63.903 63.100 -0.076 0.000 0.781 147 P CB 0.064 31.731 31.700 -0.055 0.000 0.994 148 H N 0.529 119.547 119.070 -0.087 0.000 2.675 148 H HA 0.492 5.048 4.556 -0.000 0.000 0.258 148 H C -2.768 172.481 175.328 -0.132 0.000 1.271 148 H CA -2.236 53.767 56.048 -0.075 0.000 1.462 148 H CB 0.275 30.018 29.762 -0.032 0.000 1.467 148 H HN 0.075 nan 8.280 nan 0.000 0.501 149 P HA 0.137 nan 4.420 nan 0.000 0.271 149 P C 0.739 177.773 177.300 -0.444 0.000 1.218 149 P CA 0.807 63.592 63.100 -0.525 0.000 0.780 149 P CB 1.834 33.021 31.700 -0.856 0.000 0.901 150 S N 1.035 116.466 115.700 -0.448 0.000 2.727 150 S HA 0.113 4.583 4.470 -0.000 0.000 0.249 150 S C 0.489 175.170 174.600 0.135 0.000 1.079 150 S CA -0.252 57.950 58.200 0.003 0.000 0.912 150 S CB -0.533 62.723 63.200 0.093 0.000 0.861 150 S HN 0.528 nan 8.310 nan 0.000 0.484 151 Y N 0.639 120.898 120.300 -0.067 0.000 2.675 151 Y HA 0.864 5.414 4.550 -0.000 0.000 0.328 151 Y C -0.480 175.430 175.900 0.017 0.000 1.092 151 Y CA -1.703 56.440 58.100 0.072 0.000 1.190 151 Y CB 1.034 39.512 38.460 0.031 0.000 1.350 151 Y HN 0.255 nan 8.280 nan 0.000 0.525 152 M N 1.326 121.163 119.600 0.394 0.000 2.319 152 M HA 0.587 5.067 4.480 -0.000 0.000 0.265 152 M C -2.347 174.124 176.300 0.285 0.000 1.038 152 M CA -0.388 55.093 55.300 0.301 0.000 0.946 152 M CB 1.775 34.612 32.600 0.396 0.000 1.984 152 M HN 0.687 nan 8.290 nan 0.000 0.482 153 R N 2.171 122.819 120.500 0.246 0.000 2.513 153 R HA 0.460 4.800 4.340 -0.000 0.000 0.301 153 R C -1.385 175.009 176.300 0.158 0.000 0.968 153 R CA -0.769 55.436 56.100 0.175 0.000 0.872 153 R CB 1.463 31.844 30.300 0.135 0.000 1.177 153 R HN 0.891 nan 8.270 nan 0.000 0.444 154 D N 1.260 121.745 120.400 0.142 0.000 2.336 154 D HA 0.140 4.780 4.640 -0.000 0.000 0.249 154 D C 1.186 177.554 176.300 0.113 0.000 1.213 154 D CA -0.209 53.879 54.000 0.146 0.000 0.870 154 D CB 1.268 42.154 40.800 0.144 0.000 1.076 154 D HN 0.413 nan 8.370 nan 0.000 0.483 155 V N 0.942 120.924 119.914 0.114 0.000 3.621 155 V HA 0.057 4.177 4.120 -0.000 0.000 0.285 155 V C 1.692 177.815 176.094 0.047 0.000 1.346 155 V CA 0.485 62.828 62.300 0.071 0.000 1.104 155 V CB -0.297 31.567 31.823 0.068 0.000 0.913 155 V HN 0.517 nan 8.190 nan 0.000 0.432 156 T N 2.163 116.778 114.554 0.101 0.000 2.597 156 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 156 T C 1.907 176.651 174.700 0.073 0.000 1.053 156 T CA 2.511 64.689 62.100 0.129 0.000 1.165 156 T CB -0.474 68.497 68.868 0.173 0.000 0.863 156 T HN 0.459 nan 8.240 nan 0.000 0.427 157 V N 1.351 121.305 119.914 0.067 0.000 2.427 157 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 157 V C 2.532 178.639 176.094 0.023 0.000 1.051 157 V CA 1.835 64.167 62.300 0.054 0.000 1.048 157 V CB -0.776 31.077 31.823 0.049 0.000 0.666 157 V HN 0.398 nan 8.190 nan 0.000 0.456 158 E N 1.233 121.437 120.200 0.007 0.000 2.033 158 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 158 E C 2.329 178.899 176.600 -0.050 0.000 1.011 158 E CA 2.039 58.432 56.400 -0.012 0.000 0.815 158 E CB -0.283 29.413 29.700 -0.007 0.000 0.755 158 E HN 0.525 nan 8.360 nan 0.000 0.451 159 R N -1.290 119.128 120.500 -0.137 0.000 2.057 159 R HA -0.030 4.310 4.340 -0.000 0.000 0.229 159 R C 2.115 178.242 176.300 -0.288 0.000 1.136 159 R CA 1.504 57.428 56.100 -0.293 0.000 0.952 159 R CB -0.334 29.640 30.300 -0.544 0.000 0.848 159 R HN 0.400 nan 8.270 nan 0.000 0.430 160 H N -1.061 118.056 119.070 0.078 0.000 2.586 160 H HA 0.223 4.779 4.556 -0.000 0.000 0.273 160 H C 0.928 176.285 175.328 0.049 0.000 0.997 160 H CA 0.578 56.667 56.048 0.068 0.000 1.177 160 H CB 0.801 30.601 29.762 0.062 0.000 1.471 160 H HN 0.488 nan 8.280 nan 0.000 0.538 161 G N 0.772 109.633 108.800 0.102 0.000 2.249 161 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.273 161 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.273 161 G C 0.582 175.525 174.900 0.071 0.000 1.036 161 G CA 0.691 45.835 45.100 0.072 0.000 0.824 161 G HN 0.923 nan 8.290 nan 0.000 0.504 162 G N -1.428 107.421 108.800 0.083 0.000 2.352 162 G HA2 0.611 4.571 3.960 -0.000 0.000 0.302 162 G HA3 0.611 4.571 3.960 -0.000 0.000 0.302 162 G C -2.908 172.034 174.900 0.071 0.000 1.370 162 G CA 0.018 45.157 45.100 0.065 0.000 0.918 162 G HN 0.653 nan 8.290 nan 0.000 0.610 163 P HA 0.340 nan 4.420 nan 0.000 0.269 163 P C -0.193 177.100 177.300 -0.011 0.000 1.215 163 P CA -0.195 62.926 63.100 0.037 0.000 0.780 163 P CB 0.911 32.629 31.700 0.030 0.000 0.898 164 L N 3.776 124.964 121.223 -0.058 0.000 2.261 164 L HA 0.288 4.628 4.340 -0.000 0.000 0.289 164 L C -1.975 174.769 176.870 -0.209 0.000 1.059 164 L CA -2.118 52.592 54.840 -0.218 0.000 0.816 164 L CB 0.603 42.414 42.059 -0.414 0.000 1.191 164 L HN 0.186 nan 8.230 nan 0.000 0.431 165 P HA -0.135 nan 4.420 nan 0.000 0.265 165 P C 0.049 177.170 177.300 -0.298 0.000 1.187 165 P CA 0.221 63.183 63.100 -0.231 0.000 0.766 165 P CB 0.416 31.880 31.700 -0.393 0.000 0.820 166 Y N 3.287 123.448 120.300 -0.231 0.000 2.352 166 Y HA -0.226 4.324 4.550 0.000 0.000 0.292 166 Y C 2.393 178.148 175.900 -0.242 0.000 1.136 166 Y CA 1.685 59.654 58.100 -0.218 0.000 1.227 166 Y CB -0.533 37.874 38.460 -0.088 0.000 0.991 166 Y HN 0.524 nan 8.280 nan 0.000 0.545 167 H N -1.296 117.725 119.070 -0.083 0.000 2.521 167 H HA -0.002 4.554 4.556 -0.000 0.000 0.286 167 H C 1.615 176.844 175.328 -0.164 0.000 1.034 167 H CA 1.038 57.012 56.048 -0.123 0.000 1.278 167 H CB -0.337 29.396 29.762 -0.048 0.000 1.386 167 H HN 0.316 nan 8.280 nan 0.000 0.567 168 R N 1.494 121.666 120.500 -0.546 0.000 2.235 168 R HA -0.006 4.334 4.340 -0.000 0.000 0.213 168 R C 0.915 177.076 176.300 -0.232 0.000 1.059 168 R CA 0.178 56.087 56.100 -0.319 0.000 0.997 168 R CB -0.079 29.986 30.300 -0.392 0.000 0.884 168 R HN 0.450 nan 8.270 nan 0.000 0.462 169 R N 2.461 122.671 120.500 -0.483 0.000 2.583 169 R HA 0.050 4.390 4.340 -0.000 0.000 0.274 169 R C -2.535 173.519 176.300 -0.410 0.000 0.998 169 R CA -1.288 54.404 56.100 -0.680 0.000 1.081 169 R CB -0.275 29.138 30.300 -1.477 0.000 0.940 169 R HN -0.210 nan 8.270 nan 0.000 0.413 170 P HA -0.046 nan 4.420 nan 0.000 0.269 170 P C -0.558 176.680 177.300 -0.104 0.000 1.215 170 P CA -0.328 62.666 63.100 -0.176 0.000 0.780 170 P CB 0.571 32.205 31.700 -0.110 0.000 0.898 171 V N 4.387 124.258 119.914 -0.072 0.000 2.479 171 V HA -0.019 4.101 4.120 -0.000 0.000 0.281 171 V C 0.965 177.082 176.094 0.038 0.000 1.031 171 V CA 0.226 62.447 62.300 -0.133 0.000 1.038 171 V CB -0.594 30.969 31.823 -0.434 0.000 0.981 171 V HN 0.365 nan 8.190 nan 0.000 0.478 172 L N 4.133 125.447 121.223 0.151 0.000 2.476 172 L HA 0.126 4.466 4.340 -0.000 0.000 0.264 172 L C 1.375 178.501 176.870 0.426 0.000 1.224 172 L CA -0.100 54.967 54.840 0.380 0.000 0.821 172 L CB 0.052 42.340 42.059 0.382 0.000 1.101 172 L HN 0.664 nan 8.230 nan 0.000 0.488 173 F N 0.963 121.156 119.950 0.404 0.000 2.102 173 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 173 F C 2.411 178.402 175.800 0.319 0.000 1.105 173 F CA 1.816 60.070 58.000 0.424 0.000 1.239 173 F CB -0.191 38.982 39.000 0.287 0.000 0.991 173 F HN 0.582 nan 8.300 nan 0.000 0.474 174 Q N 0.928 120.785 119.800 0.094 0.000 2.096 174 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 174 Q C 2.258 178.277 176.000 0.032 0.000 0.982 174 Q CA 2.267 58.049 55.803 -0.035 0.000 0.850 174 Q CB -0.639 28.162 28.738 0.106 0.000 0.901 174 Q HN 0.656 nan 8.270 nan 0.000 0.422 175 E N -1.450 118.817 120.200 0.111 0.000 2.097 175 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 175 E C 1.538 178.149 176.600 0.018 0.000 1.000 175 E CA 1.388 57.858 56.400 0.118 0.000 0.804 175 E CB -0.215 29.508 29.700 0.038 0.000 0.740 175 E HN 0.520 nan 8.360 nan 0.000 0.454 176 Y N 0.493 120.829 120.300 0.060 0.000 2.181 176 Y HA -0.174 4.376 4.550 0.000 0.000 0.288 176 Y C 2.204 178.074 175.900 -0.051 0.000 1.146 176 Y CA 1.155 59.274 58.100 0.032 0.000 1.164 176 Y CB -0.329 38.217 38.460 0.143 0.000 0.982 176 Y HN 0.080 nan 8.280 nan 0.000 0.515 177 L N -0.443 120.770 121.223 -0.016 0.000 2.017 177 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 177 L C 2.039 178.920 176.870 0.020 0.000 1.073 177 L CA 1.453 56.244 54.840 -0.082 0.000 0.745 177 L CB -0.573 41.337 42.059 -0.249 0.000 0.894 177 L HN 0.181 nan 8.230 nan 0.000 0.432 178 D N 0.333 120.772 120.400 0.065 0.000 2.104 178 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 178 D C 2.212 178.642 176.300 0.216 0.000 0.994 178 D CA 1.406 55.482 54.000 0.126 0.000 0.830 178 D CB -0.226 40.666 40.800 0.153 0.000 0.959 178 D HN 0.287 nan 8.370 nan 0.000 0.452 179 I N 1.070 121.783 120.570 0.238 0.000 2.264 179 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 179 I C 1.787 177.892 176.117 -0.019 0.000 1.111 179 I CA 1.195 62.538 61.300 0.072 0.000 1.382 179 I CB -0.038 37.812 38.000 -0.251 0.000 1.060 179 I HN -0.130 nan 8.210 nan 0.000 0.418 180 D N -0.184 120.236 120.400 0.034 0.000 2.144 180 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 180 D C 2.406 178.849 176.300 0.238 0.000 0.978 180 D CA 0.736 54.832 54.000 0.159 0.000 0.833 180 D CB -0.250 40.695 40.800 0.241 0.000 0.961 180 D HN 0.194 nan 8.370 nan 0.000 0.470 181 Q N 0.026 119.915 119.800 0.147 0.000 2.045 181 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 181 Q C 2.279 178.346 176.000 0.112 0.000 0.991 181 Q CA 1.604 57.482 55.803 0.125 0.000 0.851 181 Q CB -0.635 28.142 28.738 0.064 0.000 0.911 181 Q HN 0.564 nan 8.270 nan 0.000 0.418 182 M N -0.379 119.274 119.600 0.088 0.000 2.073 182 M HA -0.209 4.271 4.480 -0.000 0.000 0.258 182 M C 2.080 178.386 176.300 0.009 0.000 1.070 182 M CA 2.115 57.455 55.300 0.066 0.000 1.103 182 M CB -0.309 32.364 32.600 0.121 0.000 1.321 182 M HN 0.360 nan 8.290 nan 0.000 0.405 183 I N -0.523 120.006 120.570 -0.068 0.000 2.179 183 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 183 I C 1.901 177.860 176.117 -0.263 0.000 1.088 183 I CA 1.501 62.651 61.300 -0.250 0.000 1.357 183 I CB -0.379 37.327 38.000 -0.490 0.000 1.051 183 I HN 0.256 nan 8.210 nan 0.000 0.409 184 F N 0.477 120.434 119.950 0.012 0.000 2.387 184 F HA -0.029 4.498 4.527 -0.000 0.000 0.294 184 F C 2.271 178.108 175.800 0.062 0.000 1.093 184 F CA 0.732 58.761 58.000 0.047 0.000 1.420 184 F CB -0.433 38.592 39.000 0.041 0.000 1.086 184 F HN 0.059 nan 8.300 nan 0.000 0.531 185 N N 0.376 119.198 118.700 0.204 0.000 2.176 185 N HA -0.010 4.730 4.740 -0.000 0.000 0.187 185 N C 1.790 177.350 175.510 0.083 0.000 1.043 185 N CA 1.069 54.196 53.050 0.128 0.000 0.851 185 N CB -0.521 38.021 38.487 0.091 0.000 1.018 185 N HN 0.200 nan 8.380 nan 0.000 0.436 186 R N 0.502 121.034 120.500 0.054 0.000 2.161 186 R HA 0.145 4.485 4.340 -0.000 0.000 0.213 186 R C 1.221 177.528 176.300 0.012 0.000 1.055 186 R CA 0.743 56.862 56.100 0.031 0.000 0.996 186 R CB 0.220 30.536 30.300 0.027 0.000 0.901 186 R HN 0.269 nan 8.270 nan 0.000 0.456 187 E N 0.718 120.910 120.200 -0.013 0.000 2.280 187 E HA 0.086 4.436 4.350 -0.000 0.000 0.197 187 E C 2.154 178.703 176.600 -0.085 0.000 0.913 187 E CA 0.192 56.560 56.400 -0.052 0.000 0.995 187 E CB -0.194 29.459 29.700 -0.079 0.000 0.991 187 E HN 0.119 nan 8.360 nan 0.000 0.484 188 L N 1.556 122.703 121.223 -0.127 0.000 2.079 188 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 188 L C -0.593 176.178 176.870 -0.165 0.000 1.081 188 L CA 1.409 56.126 54.840 -0.205 0.000 0.752 188 L CB -1.468 40.435 42.059 -0.259 0.000 0.896 188 L HN 0.105 nan 8.230 nan 0.000 0.433 189 P HA -0.203 nan 4.420 nan 0.000 0.218 189 P C 1.281 178.593 177.300 0.020 0.000 1.148 189 P CA 1.191 64.351 63.100 0.101 0.000 0.822 189 P CB -0.046 31.741 31.700 0.145 0.000 0.784 190 Q N -1.088 118.697 119.800 -0.025 0.000 2.443 190 Q HA -0.052 4.288 4.340 -0.000 0.000 0.213 190 Q C 1.328 177.281 176.000 -0.079 0.000 0.982 190 Q CA 1.232 57.011 55.803 -0.040 0.000 0.894 190 Q CB -0.353 28.357 28.738 -0.047 0.000 0.947 190 Q HN 0.210 nan 8.270 nan 0.000 0.480 191 A N 0.229 122.964 122.820 -0.143 0.000 2.606 191 A HA 0.140 4.460 4.320 -0.000 0.000 0.290 191 A C 1.601 179.057 177.584 -0.215 0.000 1.174 191 A CA 0.001 51.915 52.037 -0.204 0.000 0.958 191 A CB 0.168 18.982 19.000 -0.309 0.000 1.194 191 A HN 0.258 nan 8.150 nan 0.000 0.526 192 S N -0.722 114.919 115.700 -0.099 0.000 2.465 192 S HA -0.074 4.396 4.470 -0.000 0.000 0.241 192 S C 1.841 176.601 174.600 0.267 0.000 1.000 192 S CA 1.461 59.706 58.200 0.075 0.000 0.964 192 S CB -0.602 62.839 63.200 0.402 0.000 0.763 192 S HN 0.668 nan 8.310 nan 0.000 0.512 193 G N 2.249 111.131 108.800 0.136 0.000 2.453 193 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.215 193 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.215 193 G C 1.293 176.324 174.900 0.218 0.000 1.201 193 G CA 0.957 46.187 45.100 0.216 0.000 0.784 193 G HN 0.478 nan 8.290 nan 0.000 0.545 194 L N 0.793 121.906 121.223 -0.183 0.000 1.990 194 L HA -0.042 4.298 4.340 -0.000 0.000 0.213 194 L C 2.785 179.391 176.870 -0.441 0.000 1.072 194 L CA 1.612 55.890 54.840 -0.936 0.000 0.755 194 L CB -0.710 40.695 42.059 -1.090 0.000 0.889 194 L HN 0.250 nan 8.230 nan 0.000 0.432 195 L N -1.384 119.642 121.223 -0.329 0.000 2.127 195 L HA -0.260 4.080 4.340 -0.000 0.000 0.211 195 L C 2.498 179.315 176.870 -0.088 0.000 1.089 195 L CA 1.354 56.021 54.840 -0.288 0.000 0.757 195 L CB -0.806 40.907 42.059 -0.576 0.000 0.899 195 L HN 0.409 nan 8.230 nan 0.000 0.434 196 H N -2.057 117.034 119.070 0.035 0.000 2.421 196 H HA -0.173 4.382 4.556 -0.000 0.000 0.298 196 H C 2.289 177.633 175.328 0.026 0.000 1.087 196 H CA 1.597 57.704 56.048 0.098 0.000 1.330 196 H CB -0.023 29.823 29.762 0.140 0.000 1.388 196 H HN 0.329 nan 8.280 nan 0.000 0.526 197 H N -0.527 118.565 119.070 0.037 0.000 2.395 197 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 197 H C 1.759 177.004 175.328 -0.139 0.000 1.070 197 H CA 1.531 57.580 56.048 0.002 0.000 1.356 197 H CB 0.232 30.083 29.762 0.148 0.000 1.401 197 H HN 0.577 nan 8.280 nan 0.000 0.524 198 C N -1.579 117.577 119.300 -0.241 0.000 2.935 198 C HA 0.359 4.819 4.460 -0.000 0.000 0.308 198 C C 1.668 176.511 174.990 -0.245 0.000 1.263 198 C CA -0.138 58.715 59.018 -0.276 0.000 1.738 198 C CB -0.636 27.009 27.740 -0.158 0.000 2.237 198 C HN 0.576 nan 8.230 nan 0.000 0.600 199 C N -0.790 118.372 119.300 -0.231 0.000 3.596 199 C HA 0.457 4.917 4.460 -0.000 0.000 0.268 199 C C 0.296 175.494 174.990 0.347 0.000 1.912 199 C CA -0.562 58.550 59.018 0.156 0.000 1.721 199 C CB -2.065 25.729 27.740 0.091 0.000 3.328 199 C HN 0.559 nan 8.230 nan 0.000 0.500 200 F N -0.875 119.157 119.950 0.137 0.000 3.090 200 F HA -0.243 4.284 4.527 -0.000 0.000 0.282 200 F C 0.557 176.392 175.800 0.059 0.000 0.923 200 F CA 0.395 58.442 58.000 0.078 0.000 0.977 200 F CB -2.473 36.547 39.000 0.033 0.000 0.954 200 F HN 0.479 nan 8.300 nan 0.000 0.695 201 Y N 1.338 121.590 120.300 -0.079 0.000 2.578 201 Y HA 0.429 4.979 4.550 -0.000 0.000 0.339 201 Y C 0.372 176.080 175.900 -0.320 0.000 1.231 201 Y CA 0.432 58.402 58.100 -0.217 0.000 1.461 201 Y CB 0.325 38.563 38.460 -0.370 0.000 1.323 201 Y HN 0.363 nan 8.280 nan 0.000 0.590 207 N N 1.799 120.515 118.700 0.028 0.000 2.235 207 N HA 0.290 5.030 4.740 -0.000 0.000 0.209 207 N C 0.017 175.638 175.510 0.186 0.000 1.122 207 N CA 0.174 53.276 53.050 0.086 0.000 0.845 207 N CB 0.526 39.079 38.487 0.110 0.000 1.004 207 N HN 0.573 nan 8.380 nan 0.000 0.499 208 L N 0.449 121.780 121.223 0.180 0.000 2.354 208 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 208 L C -0.442 176.556 176.870 0.214 0.000 1.008 208 L CA -1.364 53.628 54.840 0.252 0.000 0.819 208 L CB 2.259 44.538 42.059 0.367 0.000 1.339 208 L HN -0.104 nan 8.230 nan 0.000 0.420 209 V N -2.096 117.923 119.914 0.175 0.000 3.078 209 V HA 0.800 4.919 4.120 -0.000 0.000 0.311 209 V C -0.298 175.899 176.094 0.171 0.000 1.138 209 V CA -0.610 61.737 62.300 0.078 0.000 1.007 209 V CB 1.753 33.385 31.823 -0.319 0.000 1.045 209 V HN 0.858 nan 8.190 nan 0.000 0.432 210 T N 0.593 115.266 114.554 0.199 0.000 2.925 210 T HA 0.781 5.131 4.350 -0.000 0.000 0.285 210 T C -0.546 174.381 174.700 0.379 0.000 1.021 210 T CA -0.624 61.666 62.100 0.317 0.000 1.042 210 T CB 1.843 70.857 68.868 0.243 0.000 1.037 210 T HN 1.082 nan 8.240 nan 0.000 0.481 211 M N 2.510 122.474 119.600 0.606 0.000 2.263 211 M HA 0.375 4.855 4.480 -0.000 0.000 0.295 211 M C 0.034 176.647 176.300 0.523 0.000 1.028 211 M CA -0.555 55.075 55.300 0.550 0.000 0.921 211 M CB 2.244 35.179 32.600 0.557 0.000 1.601 211 M HN 0.978 nan 8.290 nan 0.000 0.440 212 T N 2.274 117.076 114.554 0.414 0.000 2.748 212 T HA 0.439 4.789 4.350 -0.000 0.000 0.304 212 T C 0.103 174.903 174.700 0.167 0.000 1.041 212 T CA 0.392 62.554 62.100 0.103 0.000 1.033 212 T CB 0.468 69.569 68.868 0.388 0.000 0.995 212 T HN 0.878 nan 8.240 nan 0.000 0.536 213 T N -0.846 113.733 114.554 0.043 0.000 2.716 213 T HA 0.859 5.209 4.350 -0.000 0.000 0.286 213 T C -0.840 173.940 174.700 0.134 0.000 1.052 213 T CA -0.393 61.762 62.100 0.092 0.000 1.024 213 T CB 1.430 70.272 68.868 -0.043 0.000 1.349 213 T HN 1.119 nan 8.240 nan 0.000 0.525 214 A N 0.554 123.347 122.820 -0.045 0.000 2.586 214 A HA 0.859 5.179 4.320 -0.000 0.000 0.291 214 A C -3.139 174.409 177.584 -0.059 0.000 1.062 214 A CA -1.487 50.587 52.037 0.061 0.000 0.666 214 A CB 0.648 19.811 19.000 0.272 0.000 1.281 214 A HN 0.738 nan 8.150 nan 0.000 0.421 215 P HA 0.295 nan 4.420 nan 0.000 0.282 215 P C -0.859 176.538 177.300 0.163 0.000 1.286 215 P CA -0.136 63.002 63.100 0.064 0.000 0.777 215 P CB 0.436 32.080 31.700 -0.093 0.000 1.184 216 R N 0.158 120.791 120.500 0.222 0.000 3.050 216 R HA 0.600 4.940 4.340 -0.000 0.000 0.275 216 R C 0.563 176.968 176.300 0.176 0.000 1.373 216 R CA -0.296 55.899 56.100 0.159 0.000 1.612 216 R CB 0.101 30.448 30.300 0.077 0.000 1.218 216 R HN 0.851 nan 8.270 nan 0.000 0.621 217 G N 0.282 109.218 108.800 0.226 0.000 2.260 217 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.250 217 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.250 217 G C -0.357 174.611 174.900 0.113 0.000 1.340 217 G CA -0.911 44.237 45.100 0.080 0.000 1.056 217 G HN 0.269 nan 8.290 nan 0.000 0.471 218 L N 0.198 121.242 121.223 -0.299 0.000 3.217 218 L HA 0.548 4.888 4.340 -0.000 0.000 0.288 218 L C 0.253 176.446 176.870 -1.129 0.000 1.202 218 L CA 0.225 54.856 54.840 -0.348 0.000 1.027 218 L CB 1.027 42.974 42.059 -0.187 0.000 1.427 218 L HN 0.716 nan 8.230 nan 0.000 0.600 219 Q N -0.004 118.585 119.800 -2.018 0.000 2.617 219 Q HA 0.200 4.540 4.340 -0.000 0.000 0.270 219 Q C -1.042 174.253 176.000 -1.174 0.000 0.967 219 Q CA -0.269 54.607 55.803 -1.545 0.000 0.887 219 Q CB 2.119 30.430 28.738 -0.712 0.000 1.516 219 Q HN -0.011 nan 8.270 nan 0.000 0.395 220 S N 1.093 116.484 115.700 -0.514 0.000 2.546 220 S HA 0.428 4.898 4.470 -0.000 0.000 0.290 220 S C 1.062 175.492 174.600 -0.283 0.000 1.290 220 S CA 1.941 60.121 58.200 -0.033 0.000 1.069 220 S CB -0.092 63.184 63.200 0.126 0.000 0.846 220 S HN 1.218 nan 8.310 nan 0.000 0.495 221 G N 4.534 113.015 108.800 -0.532 0.000 2.308 221 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.221 221 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.221 221 G C -0.190 174.395 174.900 -0.525 0.000 1.032 221 G CA 0.052 44.558 45.100 -0.990 0.000 0.623 221 G HN 0.697 nan 8.290 nan 0.000 0.506 222 D N 0.185 120.380 120.400 -0.342 0.000 2.400 222 D HA 0.491 5.131 4.640 -0.000 0.000 0.238 222 D C 1.057 177.266 176.300 -0.152 0.000 1.157 222 D CA 0.353 54.207 54.000 -0.244 0.000 0.889 222 D CB 0.699 41.335 40.800 -0.273 0.000 1.199 222 D HN 0.450 nan 8.370 nan 0.000 0.436 223 R N 0.238 120.607 120.500 -0.219 0.000 2.583 223 R HA 0.449 4.789 4.340 -0.000 0.000 0.282 223 R C -1.471 174.513 176.300 -0.527 0.000 1.288 223 R CA -0.303 55.589 56.100 -0.347 0.000 1.415 223 R CB 0.275 30.332 30.300 -0.405 0.000 1.331 223 R HN 0.389 nan 8.270 nan 0.000 0.719 224 A N 0.821 123.470 122.820 -0.286 0.000 2.271 224 A HA 0.591 4.911 4.320 -0.000 0.000 0.317 224 A C -0.535 176.981 177.584 -0.114 0.000 1.245 224 A CA -0.297 51.603 52.037 -0.227 0.000 0.857 224 A CB 1.342 20.219 19.000 -0.205 0.000 1.175 224 A HN 0.254 nan 8.150 nan 0.000 0.512 225 T N 2.445 116.996 114.554 -0.004 0.000 2.812 225 T HA 0.368 4.718 4.350 -0.000 0.000 0.282 225 T C -0.687 173.980 174.700 -0.054 0.000 0.990 225 T CA -0.037 62.075 62.100 0.020 0.000 0.960 225 T CB 0.434 69.375 68.868 0.122 0.000 0.948 225 T HN 0.603 nan 8.240 nan 0.000 0.438 226 W N 2.927 124.192 121.300 -0.058 0.000 2.253 226 W HA 0.478 5.138 4.660 0.000 0.000 0.322 226 W C -0.438 175.998 176.519 -0.139 0.000 1.342 226 W CA -0.487 56.854 57.345 -0.007 0.000 1.218 226 W CB 0.279 29.731 29.460 -0.014 0.000 1.205 226 W HN 0.522 nan 8.180 nan 0.000 0.551 227 F N 2.522 122.702 119.950 0.384 0.000 2.493 227 F HA 0.515 5.042 4.527 -0.000 0.000 0.329 227 F C 0.928 176.903 175.800 0.291 0.000 1.126 227 F CA -0.929 57.257 58.000 0.309 0.000 0.937 227 F CB 1.170 40.295 39.000 0.209 0.000 1.146 227 F HN 0.324 nan 8.300 nan 0.000 0.442 228 G N 3.314 112.393 108.800 0.464 0.000 2.537 228 G HA2 0.548 4.508 3.960 -0.000 0.000 0.273 228 G HA3 0.548 4.508 3.960 -0.000 0.000 0.273 228 G C -1.213 173.745 174.900 0.097 0.000 1.189 228 G CA -0.481 44.784 45.100 0.275 0.000 0.881 228 G HN 0.419 nan 8.290 nan 0.000 0.535 229 L N 0.646 121.657 121.223 -0.354 0.000 2.362 229 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 229 L C -1.105 175.418 176.870 -0.578 0.000 0.998 229 L CA -0.674 53.997 54.840 -0.282 0.000 0.820 229 L CB 1.365 43.294 42.059 -0.217 0.000 1.270 229 L HN 0.562 nan 8.230 nan 0.000 0.415 230 Y N 1.249 121.524 120.300 -0.041 0.000 2.545 230 Y HA 0.429 4.979 4.550 -0.000 0.000 0.348 230 Y C -0.377 175.522 175.900 -0.002 0.000 1.002 230 Y CA -1.042 57.056 58.100 -0.004 0.000 1.039 230 Y CB 1.573 40.171 38.460 0.229 0.000 1.271 230 Y HN 0.278 nan 8.280 nan 0.000 0.467 231 Y N 1.231 121.706 120.300 0.291 0.000 2.620 231 Y HA -0.037 4.513 4.550 -0.000 0.000 0.330 231 Y C 0.903 176.882 175.900 0.131 0.000 1.186 231 Y CA -0.466 57.748 58.100 0.190 0.000 1.467 231 Y CB 0.122 38.690 38.460 0.180 0.000 1.262 231 Y HN 0.499 nan 8.280 nan 0.000 0.550 232 N N 4.266 123.097 118.700 0.220 0.000 2.892 232 N HA 0.007 4.747 4.740 -0.000 0.000 0.300 232 N C -0.596 174.970 175.510 0.094 0.000 1.211 232 N CA 0.004 53.095 53.050 0.067 0.000 1.158 232 N CB -0.523 37.964 38.487 -0.000 0.000 1.455 232 N HN 0.385 nan 8.380 nan 0.000 0.524 233 I N 0.623 121.283 120.570 0.149 0.000 2.813 233 I HA -0.071 4.099 4.170 -0.000 0.000 0.287 233 I C 0.845 177.015 176.117 0.088 0.000 1.196 233 I CA 0.216 61.589 61.300 0.120 0.000 1.421 233 I CB 0.475 38.565 38.000 0.150 0.000 1.365 233 I HN 0.317 nan 8.210 nan 0.000 0.591 234 S N 3.418 119.160 115.700 0.069 0.000 2.429 234 S HA 0.536 5.006 4.470 -0.000 0.000 0.302 234 S C 0.705 175.344 174.600 0.065 0.000 1.115 234 S CA 0.186 58.414 58.200 0.047 0.000 1.095 234 S CB 0.765 63.975 63.200 0.016 0.000 0.987 234 S HN 1.045 nan 8.310 nan 0.000 0.474 235 G N 2.815 111.651 108.800 0.060 0.000 2.153 235 G HA2 0.050 4.010 3.960 -0.000 0.000 0.252 235 G HA3 0.050 4.010 3.960 -0.000 0.000 0.252 235 G C 0.131 175.105 174.900 0.123 0.000 0.994 235 G CA 0.199 45.342 45.100 0.072 0.000 0.698 235 G HN 1.463 nan 8.290 nan 0.000 0.521 236 A N -1.735 121.167 122.820 0.136 0.000 2.586 236 A HA 0.911 5.231 4.320 -0.000 0.000 0.290 236 A C 0.330 177.939 177.584 0.042 0.000 1.086 236 A CA 0.401 52.546 52.037 0.180 0.000 0.665 236 A CB 0.342 19.477 19.000 0.225 0.000 1.279 236 A HN 1.894 nan 8.150 nan 0.000 0.423 237 G N -0.258 108.425 108.800 -0.195 0.000 2.365 237 G HA2 0.434 4.394 3.960 -0.000 0.000 0.249 237 G HA3 0.434 4.394 3.960 -0.000 0.000 0.249 237 G C 0.443 175.023 174.900 -0.534 0.000 1.288 237 G CA 0.372 44.951 45.100 -0.867 0.000 0.887 237 G HN 1.389 nan 8.290 nan 0.000 0.524 238 F N 1.224 120.789 119.950 -0.641 0.000 2.512 238 F HA 0.180 4.707 4.527 -0.000 0.000 0.296 238 F C 1.685 177.227 175.800 -0.429 0.000 1.110 238 F CA -0.253 57.524 58.000 -0.371 0.000 1.446 238 F CB -0.527 38.236 39.000 -0.394 0.000 1.092 238 F HN 0.338 nan 8.300 nan 0.000 0.554 239 F N 1.471 120.850 119.950 -0.951 0.000 2.287 239 F HA -0.130 4.397 4.527 -0.000 0.000 0.301 239 F C 1.747 177.369 175.800 -0.297 0.000 1.069 239 F CA 0.990 58.523 58.000 -0.777 0.000 1.372 239 F CB -1.017 37.520 39.000 -0.772 0.000 1.056 239 F HN 0.067 nan 8.300 nan 0.000 0.523 240 L N -0.292 120.783 121.223 -0.248 0.000 2.627 240 L HA 0.047 4.387 4.340 -0.000 0.000 0.232 240 L C 0.185 176.711 176.870 -0.573 0.000 1.150 240 L CA 0.301 54.901 54.840 -0.400 0.000 0.917 240 L CB -0.405 41.302 42.059 -0.587 0.000 1.104 240 L HN 0.250 nan 8.230 nan 0.000 0.445 241 H N -1.456 117.761 119.070 0.245 0.000 2.716 241 H HA 0.188 4.744 4.556 -0.000 0.000 0.230 241 H C -0.364 175.197 175.328 0.389 0.000 1.401 241 H CA -0.358 55.865 56.048 0.292 0.000 1.168 241 H CB 0.138 30.055 29.762 0.258 0.000 1.935 241 H HN 0.144 nan 8.280 nan 0.000 0.538 242 H N 2.085 121.350 119.070 0.325 0.000 2.929 242 H HA 0.034 4.590 4.556 -0.000 0.000 0.317 242 H C 1.255 176.528 175.328 -0.092 0.000 1.031 242 H CA 0.189 56.179 56.048 -0.096 0.000 1.466 242 H CB 1.395 31.142 29.762 -0.025 0.000 1.482 242 H HN 0.281 nan 8.280 nan 0.000 0.561 243 V N 2.207 121.787 119.914 -0.558 0.000 3.306 243 V HA 0.187 4.307 4.120 -0.000 0.000 0.264 243 V C 1.377 177.169 176.094 -0.504 0.000 1.149 243 V CA 0.881 62.891 62.300 -0.482 0.000 1.143 243 V CB -0.010 31.486 31.823 -0.546 0.000 0.767 243 V HN 1.008 nan 8.190 nan 0.000 0.476 244 G N -0.001 108.451 108.800 -0.581 0.000 2.163 244 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.213 244 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.213 244 G C -0.496 174.248 174.900 -0.261 0.000 0.991 244 G CA 0.087 44.951 45.100 -0.393 0.000 0.653 244 G HN 0.801 nan 8.290 nan 0.000 0.518 245 L N 1.043 122.111 121.223 -0.259 0.000 2.356 245 L HA 0.860 5.200 4.340 -0.000 0.000 0.277 245 L C -0.471 176.438 176.870 0.066 0.000 0.996 245 L CA -0.866 53.996 54.840 0.036 0.000 0.822 245 L CB 1.420 43.500 42.059 0.035 0.000 1.256 245 L HN 0.224 nan 8.230 nan 0.000 0.413 246 E N 5.546 125.925 120.200 0.300 0.000 2.288 246 E HA 0.636 4.986 4.350 -0.000 0.000 0.268 246 E C -1.506 175.429 176.600 0.559 0.000 0.885 246 E CA -0.791 55.859 56.400 0.416 0.000 0.767 246 E CB 2.596 32.531 29.700 0.391 0.000 1.220 246 E HN 0.487 nan 8.360 nan 0.000 0.427 247 L N 2.450 123.972 121.223 0.497 0.000 2.381 247 L HA 0.368 4.708 4.340 -0.000 0.000 0.274 247 L C -0.952 175.946 176.870 0.046 0.000 0.988 247 L CA -1.110 53.887 54.840 0.261 0.000 0.824 247 L CB 1.428 43.558 42.059 0.119 0.000 1.263 247 L HN 0.319 nan 8.230 nan 0.000 0.410 248 L N 4.935 125.876 121.223 -0.469 0.000 2.334 248 L HA 0.297 4.637 4.340 -0.000 0.000 0.286 248 L C -0.286 176.408 176.870 -0.294 0.000 1.108 248 L CA 0.089 54.438 54.840 -0.818 0.000 0.875 248 L CB 0.821 42.068 42.059 -1.353 0.000 1.246 248 L HN 0.290 nan 8.230 nan 0.000 0.439 249 V N 5.004 124.887 119.914 -0.052 0.000 2.432 249 V HA 0.251 4.371 4.120 -0.000 0.000 0.271 249 V C 0.421 176.517 176.094 0.003 0.000 1.046 249 V CA -0.642 61.679 62.300 0.036 0.000 0.945 249 V CB 1.098 33.013 31.823 0.153 0.000 0.992 249 V HN 0.735 nan 8.190 nan 0.000 0.471 250 N N 4.015 122.670 118.700 -0.075 0.000 2.437 250 N HA 0.160 4.900 4.740 -0.000 0.000 0.243 250 N C 0.224 175.565 175.510 -0.281 0.000 1.041 250 N CA -0.410 52.540 53.050 -0.165 0.000 0.940 250 N CB 0.361 38.779 38.487 -0.114 0.000 1.133 250 N HN 0.847 nan 8.380 nan 0.000 0.506 251 H N 0.942 119.661 119.070 -0.585 0.000 2.467 251 H HA 0.327 4.883 4.556 -0.000 0.000 0.275 251 H C 1.142 176.093 175.328 -0.627 0.000 1.131 251 H CA -0.583 54.644 56.048 -1.368 0.000 0.989 251 H CB 0.541 29.201 29.762 -1.837 0.000 1.696 251 H HN 0.385 nan 8.280 nan 0.000 0.574 252 K N 1.189 121.385 120.400 -0.339 0.000 2.062 252 K HA 0.114 4.434 4.320 -0.000 0.000 0.205 252 K C 0.907 177.605 176.600 0.164 0.000 1.051 252 K CA 0.622 56.849 56.287 -0.100 0.000 0.941 252 K CB -0.089 32.351 32.500 -0.101 0.000 0.719 252 K HN 0.429 nan 8.250 nan 0.000 0.440 253 A N 1.354 124.362 122.820 0.312 0.000 2.540 253 A HA 0.009 4.329 4.320 -0.000 0.000 0.239 253 A C 1.020 178.859 177.584 0.425 0.000 1.061 253 A CA 0.049 52.295 52.037 0.348 0.000 0.758 253 A CB 0.071 19.273 19.000 0.337 0.000 0.991 253 A HN 0.410 nan 8.150 nan 0.000 0.502 254 L N 0.691 122.055 121.223 0.235 0.000 2.265 254 L HA -0.079 4.261 4.340 -0.000 0.000 0.215 254 L C 0.686 177.603 176.870 0.078 0.000 1.117 254 L CA 0.922 55.877 54.840 0.191 0.000 0.782 254 L CB -0.177 41.946 42.059 0.106 0.000 0.914 254 L HN 0.732 nan 8.230 nan 0.000 0.441 255 D N -0.425 119.972 120.400 -0.005 0.000 2.412 255 D HA 0.157 4.797 4.640 -0.000 0.000 0.224 255 D C -1.715 174.304 176.300 -0.468 0.000 1.093 255 D CA -2.433 51.469 54.000 -0.163 0.000 0.850 255 D CB 1.563 42.306 40.800 -0.094 0.000 1.046 255 D HN -0.204 nan 8.370 nan 0.000 0.507 256 P HA -0.196 nan 4.420 nan 0.000 0.217 256 P C 1.077 177.901 177.300 -0.792 0.000 1.148 256 P CA 1.491 63.610 63.100 -1.635 0.000 0.834 256 P CB 0.203 31.154 31.700 -1.249 0.000 0.783 257 A N 0.031 122.610 122.820 -0.401 0.000 1.917 257 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 257 A C 2.201 179.724 177.584 -0.102 0.000 1.182 257 A CA 1.781 53.705 52.037 -0.187 0.000 0.633 257 A CB -1.162 17.764 19.000 -0.123 0.000 0.819 257 A HN 0.144 nan 8.150 nan 0.000 0.448 258 R N -1.894 118.551 120.500 -0.091 0.000 2.316 258 R HA -0.066 4.274 4.340 -0.000 0.000 0.202 258 R C -0.371 176.042 176.300 0.188 0.000 1.029 258 R CA -0.004 56.121 56.100 0.041 0.000 1.018 258 R CB -0.037 30.296 30.300 0.055 0.000 0.888 258 R HN 0.594 nan 8.270 nan 0.000 0.471 259 W N 1.879 123.192 121.300 0.022 0.000 2.223 259 W HA 0.049 4.709 4.660 0.000 0.000 0.334 259 W C 0.989 177.516 176.519 0.013 0.000 1.334 259 W CA -0.359 57.004 57.345 0.030 0.000 1.246 259 W CB 0.004 29.495 29.460 0.052 0.000 1.184 259 W HN -0.029 nan 8.180 nan 0.000 0.563 260 T N 0.289 114.975 114.554 0.219 0.000 2.864 260 T HA 0.766 5.116 4.350 -0.000 0.000 0.289 260 T C -0.766 173.963 174.700 0.048 0.000 1.082 260 T CA -0.960 61.203 62.100 0.104 0.000 1.009 260 T CB 1.716 70.621 68.868 0.063 0.000 1.234 260 T HN 0.213 nan 8.240 nan 0.000 0.526 261 I N 2.248 122.829 120.570 0.017 0.000 2.359 261 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 261 I C 1.313 177.407 176.117 -0.038 0.000 1.018 261 I CA -0.632 60.656 61.300 -0.020 0.000 1.173 261 I CB 1.641 39.633 38.000 -0.013 0.000 1.326 261 I HN 0.787 nan 8.210 nan 0.000 0.462 262 Q N 3.937 123.686 119.800 -0.085 0.000 2.230 262 Q HA 0.065 4.405 4.340 -0.000 0.000 0.202 262 Q C 0.116 176.087 176.000 -0.048 0.000 0.963 262 Q CA 0.941 56.697 55.803 -0.078 0.000 0.866 262 Q CB 0.426 29.089 28.738 -0.124 0.000 0.931 262 Q HN 0.414 nan 8.270 nan 0.000 0.452 263 K N -0.498 119.859 120.400 -0.072 0.000 2.597 263 K HA 0.448 4.768 4.320 -0.000 0.000 0.282 263 K C -1.666 175.021 176.600 0.144 0.000 0.975 263 K CA -0.514 55.815 56.287 0.071 0.000 0.867 263 K CB 2.511 35.106 32.500 0.159 0.000 1.465 263 K HN -0.229 nan 8.250 nan 0.000 0.417 264 V N 1.892 122.010 119.914 0.340 0.000 2.686 264 V HA 0.516 4.636 4.120 -0.000 0.000 0.306 264 V C -1.205 175.211 176.094 0.535 0.000 1.065 264 V CA -0.908 61.630 62.300 0.398 0.000 0.894 264 V CB 1.882 33.864 31.823 0.264 0.000 1.004 264 V HN 0.691 nan 8.190 nan 0.000 0.424 265 F N 5.047 125.212 119.950 0.357 0.000 2.482 265 F HA 0.747 5.274 4.527 -0.000 0.000 0.331 265 F C -1.299 174.599 175.800 0.163 0.000 1.115 265 F CA -0.688 57.374 58.000 0.104 0.000 0.955 265 F CB 1.551 40.473 39.000 -0.130 0.000 1.136 265 F HN 0.524 nan 8.300 nan 0.000 0.452 266 Y N 5.236 125.231 120.300 -0.508 0.000 2.361 266 Y HA 0.253 4.803 4.550 -0.000 0.000 0.328 266 Y C -0.161 175.372 175.900 -0.611 0.000 1.044 266 Y CA -1.021 56.860 58.100 -0.366 0.000 1.085 266 Y CB 1.302 39.676 38.460 -0.144 0.000 1.194 266 Y HN 0.749 nan 8.280 nan 0.000 0.438 267 Q N 4.659 123.812 119.800 -1.079 0.000 2.372 267 Q HA -0.280 4.060 4.340 -0.000 0.000 0.333 267 Q C 1.019 176.524 176.000 -0.825 0.000 1.285 267 Q CA 1.494 56.777 55.803 -0.867 0.000 0.983 267 Q CB -1.390 26.671 28.738 -1.130 0.000 1.229 267 Q HN 1.316 nan 8.270 nan 0.000 0.442 268 G N -0.752 107.258 108.800 -1.317 0.000 2.195 268 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.224 268 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.224 268 G C 0.005 174.233 174.900 -1.119 0.000 0.990 268 G CA 0.068 44.202 45.100 -1.609 0.000 0.639 268 G HN 0.307 nan 8.290 nan 0.000 0.514 269 R N -0.768 118.970 120.500 -1.269 0.000 2.795 269 R HA 0.611 4.951 4.340 -0.000 0.000 0.275 269 R C -0.974 174.699 176.300 -1.044 0.000 0.981 269 R CA -0.845 54.732 56.100 -0.871 0.000 0.917 269 R CB 1.313 31.264 30.300 -0.581 0.000 1.202 269 R HN 0.159 nan 8.270 nan 0.000 0.469 270 Y N 0.506 120.486 120.300 -0.533 0.000 2.335 270 Y HA 0.424 4.974 4.550 -0.000 0.000 0.323 270 Y C -0.242 175.229 175.900 -0.716 0.000 1.224 270 Y CA -0.230 57.698 58.100 -0.286 0.000 1.241 270 Y CB 0.931 39.399 38.460 0.013 0.000 1.235 270 Y HN 0.388 nan 8.280 nan 0.000 0.492 271 Y N -0.871 119.569 120.300 0.233 0.000 2.625 271 Y HA 0.213 4.763 4.550 -0.000 0.000 0.338 271 Y C 0.290 176.271 175.900 0.136 0.000 1.123 271 Y CA -1.396 56.782 58.100 0.131 0.000 1.046 271 Y CB 1.382 39.873 38.460 0.053 0.000 1.299 271 Y HN 0.567 nan 8.280 nan 0.000 0.464 272 D N 0.112 120.658 120.400 0.243 0.000 2.305 272 D HA 0.044 4.684 4.640 -0.000 0.000 0.206 272 D C 0.175 176.543 176.300 0.113 0.000 0.974 272 D CA 1.021 55.109 54.000 0.145 0.000 0.871 272 D CB 0.547 41.404 40.800 0.096 0.000 0.947 272 D HN 0.408 nan 8.370 nan 0.000 0.516 273 S N -1.172 114.596 115.700 0.113 0.000 2.636 273 S HA 0.283 4.753 4.470 -0.000 0.000 0.268 273 S C 0.374 174.973 174.600 -0.001 0.000 1.159 273 S CA -0.772 57.456 58.200 0.048 0.000 0.815 273 S CB 0.876 64.089 63.200 0.022 0.000 1.130 273 S HN -0.063 nan 8.310 nan 0.000 0.471 274 L N 1.036 122.232 121.223 -0.044 0.000 2.217 274 L HA 0.147 4.487 4.340 -0.000 0.000 0.211 274 L C 2.993 179.787 176.870 -0.125 0.000 1.107 274 L CA 1.370 56.142 54.840 -0.114 0.000 0.783 274 L CB -0.947 41.040 42.059 -0.119 0.000 0.919 274 L HN 0.923 nan 8.230 nan 0.000 0.442 275 A N -0.343 122.433 122.820 -0.073 0.000 1.859 275 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 275 A C 2.318 179.858 177.584 -0.074 0.000 1.198 275 A CA 1.905 53.907 52.037 -0.059 0.000 0.629 275 A CB -0.639 nan 19.000 nan 0.000 0.830 275 A HN 0.402 nan 8.150 nan 0.000 0.446 276 Q N -0.829 118.939 119.800 -0.055 0.000 2.084 276 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 276 Q C 2.113 178.033 176.000 -0.133 0.000 0.978 276 Q CA 1.809 57.593 55.803 -0.031 0.000 0.844 276 Q CB -0.298 28.474 28.738 0.057 0.000 0.898 276 Q HN 0.618 nan 8.270 nan 0.000 0.426 277 L N 1.149 122.185 121.223 -0.312 0.000 1.973 277 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 277 L C 2.365 179.007 176.870 -0.379 0.000 1.073 277 L CA 2.617 57.032 54.840 -0.707 0.000 0.746 277 L CB -0.880 40.652 42.059 -0.877 0.000 0.891 277 L HN 0.132 nan 8.230 nan 0.000 0.433 278 E N 0.149 120.189 120.200 -0.266 0.000 2.136 278 E HA -0.292 4.058 4.350 -0.000 0.000 0.202 278 E C 1.907 178.495 176.600 -0.020 0.000 1.019 278 E CA 1.943 58.273 56.400 -0.116 0.000 0.819 278 E CB -0.555 29.085 29.700 -0.099 0.000 0.739 278 E HN 0.649 nan 8.360 nan 0.000 0.458 279 A N 0.638 123.422 122.820 -0.059 0.000 1.836 279 A HA -0.326 3.994 4.320 -0.000 0.000 0.215 279 A C 2.172 179.736 177.584 -0.034 0.000 1.214 279 A CA 2.199 54.212 52.037 -0.041 0.000 0.636 279 A CB -1.091 17.888 19.000 -0.035 0.000 0.847 279 A HN 0.464 nan 8.150 nan 0.000 0.451 280 Q N -1.905 117.870 119.800 -0.041 0.000 2.344 280 Q HA -0.240 4.100 4.340 -0.000 0.000 0.212 280 Q C 1.824 177.838 176.000 0.024 0.000 0.991 280 Q CA 1.714 57.512 55.803 -0.009 0.000 0.897 280 Q CB -0.388 28.361 28.738 0.018 0.000 0.915 280 Q HN 0.744 nan 8.270 nan 0.000 0.438 281 F N 1.635 121.486 119.950 -0.166 0.000 2.098 281 F HA -0.101 4.426 4.527 -0.000 0.000 0.294 281 F C 1.845 177.568 175.800 -0.128 0.000 1.107 281 F CA 1.498 59.403 58.000 -0.157 0.000 1.234 281 F CB -0.160 38.717 39.000 -0.206 0.000 1.002 281 F HN -0.043 nan 8.300 nan 0.000 0.472 282 E N 0.150 120.179 120.200 -0.284 0.000 2.204 282 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 282 E C 2.080 178.517 176.600 -0.273 0.000 0.990 282 E CA 0.817 56.986 56.400 -0.384 0.000 0.821 282 E CB -0.375 29.212 29.700 -0.188 0.000 0.750 282 E HN 0.444 nan 8.360 nan 0.000 0.477 283 A N 0.447 123.168 122.820 -0.165 0.000 2.248 283 A HA 0.055 4.375 4.320 -0.000 0.000 0.210 283 A C 1.867 179.380 177.584 -0.118 0.000 1.174 283 A CA 0.987 52.957 52.037 -0.111 0.000 0.750 283 A CB -0.787 18.180 19.000 -0.055 0.000 0.780 283 A HN 0.372 nan 8.150 nan 0.000 0.478 284 G N -1.750 106.937 108.800 -0.188 0.000 2.168 284 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.263 284 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.263 284 G C 0.383 175.254 174.900 -0.049 0.000 0.977 284 G CA 0.599 45.606 45.100 -0.154 0.000 0.659 284 G HN 1.212 nan 8.290 nan 0.000 0.533 285 L N 0.209 121.428 121.223 -0.007 0.000 3.030 285 L HA 0.753 5.093 4.340 -0.000 0.000 0.252 285 L C -0.435 176.490 176.870 0.091 0.000 1.316 285 L CA -0.612 54.253 54.840 0.041 0.000 0.975 285 L CB 0.993 43.072 42.059 0.033 0.000 1.357 285 L HN -0.000 nan 8.230 nan 0.000 0.534 286 V N 2.160 122.156 119.914 0.137 0.000 2.559 286 V HA 0.263 4.383 4.120 -0.000 0.000 0.289 286 V C -0.945 175.285 176.094 0.227 0.000 1.036 286 V CA -0.621 61.790 62.300 0.185 0.000 0.887 286 V CB 2.126 34.050 31.823 0.168 0.000 1.022 286 V HN 0.687 nan 8.190 nan 0.000 0.442 287 N N 5.182 123.985 118.700 0.172 0.000 2.500 287 N HA 0.434 5.174 4.740 -0.000 0.000 0.236 287 N C -0.606 175.000 175.510 0.159 0.000 1.022 287 N CA -0.484 52.668 53.050 0.170 0.000 0.935 287 N CB 1.663 40.222 38.487 0.120 0.000 1.147 287 N HN 0.281 nan 8.380 nan 0.000 0.512 288 V N 2.200 122.241 119.914 0.211 0.000 2.763 288 V HA 0.043 4.163 4.120 -0.000 0.000 0.306 288 V C 0.533 176.656 176.094 0.048 0.000 1.059 288 V CA -0.413 61.961 62.300 0.123 0.000 1.138 288 V CB 0.790 32.702 31.823 0.149 0.000 0.940 288 V HN 0.504 nan 8.190 nan 0.000 0.489 289 V N 5.409 125.294 119.914 -0.049 0.000 2.435 289 V HA 0.293 4.413 4.120 -0.000 0.000 0.290 289 V C -0.030 176.000 176.094 -0.107 0.000 1.030 289 V CA -0.697 61.581 62.300 -0.036 0.000 0.881 289 V CB 1.698 33.542 31.823 0.035 0.000 0.983 289 V HN 0.589 nan 8.190 nan 0.000 0.445 290 L N 6.301 127.498 121.223 -0.043 0.000 2.342 290 L HA 0.467 4.807 4.340 -0.000 0.000 0.285 290 L C 0.277 177.217 176.870 0.117 0.000 1.095 290 L CA 0.508 55.344 54.840 -0.007 0.000 0.843 290 L CB 0.571 42.638 42.059 0.012 0.000 1.201 290 L HN 0.693 nan 8.230 nan 0.000 0.445 291 I N 6.765 127.439 120.570 0.173 0.000 2.337 291 I HA 0.489 4.659 4.170 -0.000 0.000 0.291 291 I C -2.041 174.453 176.117 0.628 0.000 1.046 291 I CA -2.032 59.505 61.300 0.395 0.000 1.324 291 I CB 0.203 38.395 38.000 0.320 0.000 1.409 291 I HN 0.491 nan 8.210 nan 0.000 0.494 292 P HA 0.240 nan 4.420 nan 0.000 0.271 292 P C 0.041 177.518 177.300 0.296 0.000 1.233 292 P CA 0.165 63.526 63.100 0.435 0.000 0.789 292 P CB 0.811 32.712 31.700 0.335 0.000 0.951 293 D N -0.448 119.796 120.400 -0.260 0.000 2.379 293 D HA 0.072 4.712 4.640 -0.000 0.000 0.208 293 D C -0.124 175.821 176.300 -0.592 0.000 1.065 293 D CA 0.570 54.075 54.000 -0.826 0.000 0.848 293 D CB -0.014 39.946 40.800 -1.400 0.000 0.949 293 D HN 0.260 nan 8.370 nan 0.000 0.509 294 N N -1.510 116.698 118.700 -0.821 0.000 3.265 294 N HA 0.512 5.252 4.740 -0.000 0.000 0.235 294 N C -0.650 173.788 175.510 -1.786 0.000 1.343 294 N CA 0.116 52.453 53.050 -1.189 0.000 0.904 294 N CB 1.048 39.142 38.487 -0.654 0.000 1.492 294 N HN 0.024 nan 8.380 nan 0.000 0.504 295 G N -0.593 107.139 108.800 -1.780 0.000 2.356 295 G HA2 0.492 4.452 3.960 -0.000 0.000 0.281 295 G HA3 0.492 4.452 3.960 -0.000 0.000 0.281 295 G C -1.725 172.714 174.900 -0.768 0.000 1.246 295 G CA 0.131 44.398 45.100 -1.388 0.000 0.889 295 G HN 1.178 nan 8.290 nan 0.000 0.486 296 T N -3.006 111.372 114.554 -0.293 0.000 2.868 296 T HA 0.928 5.278 4.350 -0.000 0.000 0.306 296 T C 0.395 175.264 174.700 0.282 0.000 1.224 296 T CA 0.413 62.556 62.100 0.072 0.000 1.012 296 T CB 1.559 70.429 68.868 0.005 0.000 1.221 296 T HN 2.801 nan 8.240 nan 0.000 0.499 297 G N 0.037 108.982 108.800 0.242 0.000 2.466 297 G HA2 0.307 4.267 3.960 -0.000 0.000 0.316 297 G HA3 0.307 4.267 3.960 -0.000 0.000 0.316 297 G C 0.692 175.730 174.900 0.229 0.000 1.270 297 G CA -0.036 45.194 45.100 0.215 0.000 0.982 297 G HN 1.598 nan 8.290 nan 0.000 0.506 298 G N -0.581 108.316 108.800 0.160 0.000 2.443 298 G HA2 0.138 4.098 3.960 -0.000 0.000 0.219 298 G HA3 0.138 4.098 3.960 -0.000 0.000 0.219 298 G C 2.040 177.015 174.900 0.125 0.000 1.131 298 G CA 2.106 47.281 45.100 0.124 0.000 0.775 298 G HN 1.338 nan 8.290 nan 0.000 0.547 299 S N -0.207 115.547 115.700 0.089 0.000 2.400 299 S HA -0.117 4.353 4.470 -0.000 0.000 0.232 299 S C 1.665 176.123 174.600 -0.238 0.000 1.025 299 S CA 1.288 59.410 58.200 -0.130 0.000 0.993 299 S CB -0.271 62.804 63.200 -0.208 0.000 0.808 299 S HN 0.731 nan 8.310 nan 0.000 0.478 300 W N 0.254 121.702 121.300 0.246 0.000 2.940 300 W HA 0.498 5.158 4.660 -0.000 0.000 0.297 300 W C 0.892 177.517 176.519 0.177 0.000 1.149 300 W CA -0.288 57.192 57.345 0.225 0.000 1.564 300 W CB 0.247 29.776 29.460 0.116 0.000 1.010 300 W HN -0.003 nan 8.180 nan 0.000 0.578 301 S N -0.258 115.635 115.700 0.320 0.000 2.618 301 S HA 0.509 4.979 4.470 -0.000 0.000 0.277 301 S C -0.116 174.598 174.600 0.189 0.000 1.138 301 S CA -0.573 57.769 58.200 0.237 0.000 0.844 301 S CB 1.064 64.378 63.200 0.191 0.000 1.127 301 S HN 0.011 nan 8.310 nan 0.000 0.474 302 L N 1.219 122.536 121.223 0.155 0.000 2.672 302 L HA 0.409 4.749 4.340 -0.000 0.000 0.236 302 L C 0.799 177.708 176.870 0.064 0.000 1.092 302 L CA 0.083 54.981 54.840 0.098 0.000 0.887 302 L CB 0.138 42.259 42.059 0.103 0.000 1.168 302 L HN 0.525 nan 8.230 nan 0.000 0.502 303 K N 1.353 121.796 120.400 0.070 0.000 2.379 303 K HA 0.082 4.402 4.320 -0.000 0.000 0.284 303 K C 0.240 176.864 176.600 0.040 0.000 1.044 303 K CA -0.001 56.313 56.287 0.046 0.000 0.974 303 K CB 0.958 33.484 32.500 0.043 0.000 0.962 303 K HN -0.115 nan 8.250 nan 0.000 0.474 304 S N 4.168 119.882 115.700 0.023 0.000 2.564 304 S HA 0.208 4.678 4.470 -0.000 0.000 0.278 304 S C -1.301 173.309 174.600 0.018 0.000 1.333 304 S CA -1.374 56.837 58.200 0.019 0.000 1.048 304 S CB 0.711 63.914 63.200 0.005 0.000 0.900 304 S HN 0.642 nan 8.310 nan 0.000 0.505 305 P HA 0.171 nan 4.420 nan 0.000 0.249 305 P C -0.565 176.739 177.300 0.008 0.000 1.229 305 P CA 0.130 63.239 63.100 0.015 0.000 0.788 305 P CB 0.044 31.756 31.700 0.020 0.000 1.072 306 V N 3.806 123.722 119.914 0.004 0.000 2.384 306 V HA 0.301 4.421 4.120 -0.000 0.000 0.287 306 V C -1.904 174.187 176.094 -0.006 0.000 1.020 306 V CA -1.742 60.558 62.300 -0.001 0.000 0.850 306 V CB 1.604 33.427 31.823 -0.001 0.000 0.987 306 V HN 0.068 nan 8.190 nan 0.000 0.436 307 P HA 0.334 nan 4.420 nan 0.000 0.272 307 P C -2.664 174.626 177.300 -0.016 0.000 1.230 307 P CA -1.327 61.766 63.100 -0.012 0.000 0.788 307 P CB -0.271 31.422 31.700 -0.011 0.000 0.949 308 P HA 0.133 nan 4.420 nan 0.000 0.262 308 P C 0.580 177.867 177.300 -0.022 0.000 1.182 308 P CA 0.458 63.543 63.100 -0.025 0.000 0.761 308 P CB 0.099 31.780 31.700 -0.032 0.000 0.795 309 G N 3.608 112.395 108.800 -0.022 0.000 2.606 309 G HA2 0.498 4.458 3.960 -0.000 0.000 0.262 309 G HA3 0.498 4.458 3.960 -0.000 0.000 0.262 309 G C -2.196 172.690 174.900 -0.024 0.000 1.394 309 G CA -0.873 44.215 45.100 -0.020 0.000 1.044 309 G HN 0.415 nan 8.290 nan 0.000 0.553 310 P HA 0.331 nan 4.420 nan 0.000 0.266 310 P C 0.057 177.341 177.300 -0.028 0.000 1.195 310 P CA -0.076 63.010 63.100 -0.025 0.000 0.768 310 P CB 0.508 32.196 31.700 -0.021 0.000 0.838 311 A N 5.311 128.111 122.820 -0.034 0.000 2.561 311 A HA 0.250 4.570 4.320 -0.000 0.000 0.234 311 A C -1.211 176.356 177.584 -0.029 0.000 1.055 311 A CA -0.646 51.368 52.037 -0.038 0.000 0.756 311 A CB -1.350 17.619 19.000 -0.051 0.000 0.986 311 A HN 0.528 nan 8.150 nan 0.000 0.505 312 P HA 0.398 nan 4.420 nan 0.000 0.275 312 P C -2.561 174.732 177.300 -0.013 0.000 1.266 312 P CA -1.184 61.906 63.100 -0.017 0.000 0.793 312 P CB -0.811 30.880 31.700 -0.015 0.000 1.074 313 P HA 0.183 nan 4.420 nan 0.000 0.267 313 P C -0.730 176.579 177.300 0.015 0.000 1.200 313 P CA 0.115 63.222 63.100 0.011 0.000 0.772 313 P CB 0.136 31.848 31.700 0.020 0.000 0.855 314 L N 1.774 123.013 121.223 0.027 0.000 2.401 314 L HA 0.449 4.789 4.340 -0.000 0.000 0.266 314 L C -0.846 176.080 176.870 0.094 0.000 0.991 314 L CA -0.523 54.336 54.840 0.033 0.000 0.818 314 L CB 2.092 44.140 42.059 -0.018 0.000 1.321 314 L HN 0.316 nan 8.230 nan 0.000 0.413 315 Q N 3.213 123.071 119.800 0.096 0.000 2.309 315 Q HA 0.695 5.035 4.340 -0.000 0.000 0.264 315 Q C -1.664 174.411 176.000 0.125 0.000 1.008 315 Q CA -0.660 55.214 55.803 0.119 0.000 0.853 315 Q CB 2.125 30.910 28.738 0.080 0.000 1.314 315 Q HN 0.635 nan 8.270 nan 0.000 0.448 316 F N -0.176 119.695 119.950 -0.132 0.000 2.685 316 F HA 0.534 5.061 4.527 -0.000 0.000 0.315 316 F C -2.006 173.707 175.800 -0.145 0.000 1.126 316 F CA -1.177 56.661 58.000 -0.269 0.000 0.950 316 F CB 1.054 39.976 39.000 -0.130 0.000 1.360 316 F HN 0.318 nan 8.300 nan 0.000 0.469 317 Y N 1.371 121.656 120.300 -0.025 0.000 2.717 317 Y HA 0.438 4.988 4.550 -0.000 0.000 0.329 317 Y C -2.236 173.595 175.900 -0.114 0.000 1.017 317 Y CA -3.142 54.890 58.100 -0.112 0.000 1.275 317 Y CB 0.369 38.865 38.460 0.060 0.000 1.109 317 Y HN 0.371 nan 8.280 nan 0.000 0.511 318 P HA -0.119 nan 4.420 nan 0.000 0.223 318 P C 0.058 177.426 177.300 0.114 0.000 1.144 318 P CA 1.469 64.550 63.100 -0.031 0.000 0.783 318 P CB 0.364 31.971 31.700 -0.155 0.000 0.771 319 Q N -0.718 119.137 119.800 0.092 0.000 2.158 319 Q HA 0.443 4.783 4.340 -0.000 0.000 0.306 319 Q C 0.248 176.303 176.000 0.092 0.000 0.878 319 Q CA -0.235 55.621 55.803 0.088 0.000 1.136 319 Q CB 0.909 29.679 28.738 0.054 0.000 1.253 319 Q HN 0.103 nan 8.270 nan 0.000 0.441 320 G N 2.564 111.450 108.800 0.143 0.000 2.730 320 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 320 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 320 G C -2.965 172.003 174.900 0.114 0.000 1.343 320 G CA -1.111 44.067 45.100 0.129 0.000 0.826 320 G HN 0.096 nan 8.290 nan 0.000 0.582 321 P HA 0.377 nan 4.420 nan 0.000 0.274 321 P C 0.022 177.203 177.300 -0.198 0.000 1.237 321 P CA -0.351 62.622 63.100 -0.210 0.000 0.793 321 P CB 0.684 32.211 31.700 -0.288 0.000 0.977 322 R N 1.115 121.522 120.500 -0.155 0.000 2.613 322 R HA 0.344 4.684 4.340 -0.000 0.000 0.361 322 R C -0.110 176.255 176.300 0.108 0.000 1.072 322 R CA -0.126 55.961 56.100 -0.023 0.000 1.089 322 R CB -0.309 29.982 30.300 -0.015 0.000 1.343 322 R HN 0.533 nan 8.270 nan 0.000 0.571 323 F N -1.572 118.292 119.950 -0.144 0.000 2.662 323 F HA 0.682 5.209 4.527 -0.000 0.000 0.312 323 F C -0.830 174.914 175.800 -0.092 0.000 1.113 323 F CA -1.315 56.616 58.000 -0.115 0.000 0.951 323 F CB 1.315 40.238 39.000 -0.129 0.000 1.344 323 F HN -0.152 nan 8.300 nan 0.000 0.462 324 S N 0.652 116.305 115.700 -0.078 0.000 2.548 324 S HA 0.840 5.310 4.470 -0.000 0.000 0.286 324 S C -1.668 172.913 174.600 -0.032 0.000 1.098 324 S CA -0.739 57.367 58.200 -0.155 0.000 0.930 324 S CB 1.707 64.848 63.200 -0.098 0.000 1.070 324 S HN 0.832 nan 8.310 nan 0.000 0.480 325 V N 1.806 121.697 119.914 -0.039 0.000 2.378 325 V HA 0.797 4.917 4.120 -0.000 0.000 0.288 325 V C 0.206 176.312 176.094 0.021 0.000 1.016 325 V CA -0.305 62.007 62.300 0.019 0.000 0.840 325 V CB 0.598 32.463 31.823 0.069 0.000 0.994 325 V HN 1.140 nan 8.190 nan 0.000 0.431 326 Q N 3.129 122.940 119.800 0.018 0.000 2.456 326 Q HA 0.666 5.006 4.340 -0.000 0.000 0.252 326 Q C 0.806 176.823 176.000 0.027 0.000 1.042 326 Q CA 0.316 56.129 55.803 0.017 0.000 0.766 326 Q CB 1.154 29.892 28.738 -0.002 0.000 1.196 326 Q HN 1.908 nan 8.270 nan 0.000 0.504 327 G N 1.094 109.917 108.800 0.039 0.000 2.557 327 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.292 327 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.292 327 G C 1.548 176.434 174.900 -0.024 0.000 1.162 327 G CA 1.291 46.397 45.100 0.010 0.000 0.964 327 G HN 2.138 nan 8.290 nan 0.000 0.541 328 S N 0.143 115.771 115.700 -0.120 0.000 2.575 328 S HA 0.454 4.924 4.470 -0.000 0.000 0.215 328 S C 0.916 175.493 174.600 -0.039 0.000 0.966 328 S CA 1.168 59.149 58.200 -0.366 0.000 0.911 328 S CB 0.312 63.308 63.200 -0.340 0.000 0.780 328 S HN 0.787 nan 8.310 nan 0.000 0.514 329 R N 1.079 121.613 120.500 0.057 0.000 2.338 329 R HA 0.655 4.995 4.340 -0.000 0.000 0.317 329 R C -1.474 174.776 176.300 -0.084 0.000 0.968 329 R CA -0.386 55.713 56.100 -0.002 0.000 0.849 329 R CB 1.544 31.836 30.300 -0.012 0.000 1.128 329 R HN 0.167 nan 8.270 nan 0.000 0.448 330 V N 3.068 122.754 119.914 -0.381 0.000 2.581 330 V HA 0.865 4.985 4.120 -0.000 0.000 0.303 330 V C -0.460 175.373 176.094 -0.434 0.000 1.041 330 V CA -0.685 61.311 62.300 -0.506 0.000 0.907 330 V CB 1.705 32.944 31.823 -0.973 0.000 0.994 330 V HN 0.925 nan 8.190 nan 0.000 0.442 331 A N 3.241 125.946 122.820 -0.192 0.000 2.422 331 A HA 0.945 5.265 4.320 -0.000 0.000 0.302 331 A C -0.334 177.247 177.584 -0.005 0.000 1.041 331 A CA -0.103 51.879 52.037 -0.092 0.000 0.708 331 A CB 2.042 21.005 19.000 -0.062 0.000 1.257 331 A HN 1.159 nan 8.150 nan 0.000 0.414 332 S N 0.289 116.000 115.700 0.018 0.000 2.794 332 S HA 0.618 5.088 4.470 -0.000 0.000 0.299 332 S C 1.111 175.706 174.600 -0.008 0.000 1.179 332 S CA 0.382 58.611 58.200 0.048 0.000 0.838 332 S CB 0.940 64.200 63.200 0.100 0.000 1.206 332 S HN 1.518 nan 8.310 nan 0.000 0.523 333 S N -0.309 115.381 115.700 -0.017 0.000 2.381 333 S HA -0.124 4.346 4.470 -0.000 0.000 0.230 333 S C 1.472 175.967 174.600 -0.176 0.000 1.052 333 S CA 2.083 60.239 58.200 -0.074 0.000 1.068 333 S CB -0.913 62.257 63.200 -0.050 0.000 0.918 333 S HN 0.585 nan 8.310 nan 0.000 0.448 334 L N -2.287 118.804 121.223 -0.220 0.000 2.467 334 L HA 0.343 4.683 4.340 -0.000 0.000 0.213 334 L C 0.286 176.762 176.870 -0.657 0.000 1.053 334 L CA -0.204 54.278 54.840 -0.597 0.000 0.847 334 L CB 0.040 41.704 42.059 -0.657 0.000 1.075 334 L HN 0.311 nan 8.230 nan 0.000 0.479 335 W N -0.665 120.571 121.300 -0.106 0.000 2.639 335 W HA 0.529 5.189 4.660 -0.000 0.000 0.347 335 W C -0.249 176.244 176.519 -0.043 0.000 1.067 335 W CA -0.422 56.909 57.345 -0.023 0.000 1.218 335 W CB 1.897 31.331 29.460 -0.043 0.000 1.393 335 W HN -0.413 nan 8.180 nan 0.000 0.557 336 T N 3.227 117.991 114.554 0.351 0.000 3.237 336 T HA 0.544 4.894 4.350 -0.000 0.000 0.319 336 T C -1.508 173.353 174.700 0.269 0.000 1.037 336 T CA -0.533 61.654 62.100 0.144 0.000 1.048 336 T CB 0.263 69.185 68.868 0.090 0.000 1.081 336 T HN 0.276 nan 8.240 nan 0.000 0.455 337 F N 0.162 120.114 119.950 0.004 0.000 2.719 337 F HA 0.815 5.342 4.527 -0.000 0.000 0.309 337 F C -0.616 175.232 175.800 0.081 0.000 1.138 337 F CA -1.151 56.863 58.000 0.023 0.000 0.943 337 F CB 1.064 40.036 39.000 -0.046 0.000 1.304 337 F HN 0.365 nan 8.300 nan 0.000 0.445 338 S N 1.661 117.518 115.700 0.262 0.000 2.541 338 S HA 0.805 5.275 4.470 -0.000 0.000 0.283 338 S C -0.850 174.017 174.600 0.445 0.000 1.196 338 S CA -0.532 57.821 58.200 0.255 0.000 1.062 338 S CB 0.468 63.803 63.200 0.225 0.000 1.009 338 S HN 0.752 nan 8.310 nan 0.000 0.502 339 F N 1.695 121.724 119.950 0.130 0.000 2.654 339 F HA 1.022 5.549 4.527 0.000 0.000 0.334 339 F C 0.266 176.069 175.800 0.005 0.000 1.078 339 F CA -0.421 57.636 58.000 0.095 0.000 0.986 339 F CB 1.081 40.101 39.000 0.033 0.000 1.362 339 F HN 0.839 nan 8.300 nan 0.000 0.498 340 G N 0.130 108.906 108.800 -0.040 0.000 2.321 340 G HA2 0.454 4.414 3.960 -0.000 0.000 0.296 340 G HA3 0.454 4.414 3.960 -0.000 0.000 0.296 340 G C -2.685 172.346 174.900 0.218 0.000 1.287 340 G CA -1.044 44.046 45.100 -0.017 0.000 0.846 340 G HN 0.861 nan 8.290 nan 0.000 0.508 341 L N 0.697 122.027 121.223 0.179 0.000 2.439 341 L HA 0.612 4.952 4.340 -0.000 0.000 0.270 341 L C 0.822 177.725 176.870 0.054 0.000 0.972 341 L CA -0.780 54.022 54.840 -0.064 0.000 0.836 341 L CB 2.135 43.773 42.059 -0.702 0.000 1.255 341 L HN 0.922 nan 8.230 nan 0.000 0.404 342 G N 1.319 110.127 108.800 0.013 0.000 2.406 342 G HA2 0.351 4.311 3.960 -0.000 0.000 0.251 342 G HA3 0.351 4.311 3.960 -0.000 0.000 0.251 342 G C 0.930 175.796 174.900 -0.057 0.000 1.271 342 G CA 0.324 45.450 45.100 0.045 0.000 0.859 342 G HN 0.878 nan 8.290 nan 0.000 0.540 343 A N 2.144 124.917 122.820 -0.078 0.000 1.908 343 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 343 A C 1.787 179.054 177.584 -0.527 0.000 1.181 343 A CA 1.620 53.456 52.037 -0.334 0.000 0.627 343 A CB -0.291 18.268 19.000 -0.734 0.000 0.818 343 A HN 0.599 nan 8.150 nan 0.000 0.445 344 F N -0.517 119.489 119.950 0.093 0.000 2.453 344 F HA 0.066 4.593 4.527 -0.000 0.000 0.284 344 F C 2.802 178.592 175.800 -0.017 0.000 1.065 344 F CA 0.871 58.911 58.000 0.067 0.000 1.411 344 F CB -0.694 38.350 39.000 0.072 0.000 1.131 344 F HN 0.251 nan 8.300 nan 0.000 0.582 345 S N -0.325 115.437 115.700 0.103 0.000 2.428 345 S HA 0.355 4.825 4.470 -0.000 0.000 0.230 345 S C 1.428 175.893 174.600 -0.225 0.000 1.014 345 S CA 0.674 58.846 58.200 -0.047 0.000 0.957 345 S CB -0.739 62.458 63.200 -0.005 0.000 0.784 345 S HN 0.699 nan 8.310 nan 0.000 0.499 346 G N 1.109 109.774 108.800 -0.224 0.000 2.568 346 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.222 346 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.222 346 G C -3.124 171.578 174.900 -0.330 0.000 1.321 346 G CA -0.591 44.286 45.100 -0.371 0.000 0.893 346 G HN 0.474 nan 8.290 nan 0.000 0.569 347 P HA 0.399 nan 4.420 nan 0.000 0.267 347 P C -0.054 177.163 177.300 -0.139 0.000 1.200 347 P CA 0.515 63.502 63.100 -0.188 0.000 0.772 347 P CB 0.421 32.013 31.700 -0.180 0.000 0.855 348 R N 1.434 121.913 120.500 -0.034 0.000 2.663 348 R HA 0.759 5.099 4.340 -0.000 0.000 0.267 348 R C -1.651 174.588 176.300 -0.102 0.000 1.038 348 R CA -0.916 55.107 56.100 -0.129 0.000 0.886 348 R CB 1.002 31.234 30.300 -0.114 0.000 1.249 348 R HN 0.239 nan 8.270 nan 0.000 0.463 349 I N 1.592 121.953 120.570 -0.348 0.000 2.730 349 I HA 0.574 4.744 4.170 -0.000 0.000 0.298 349 I C -1.230 174.510 176.117 -0.629 0.000 1.089 349 I CA -0.828 60.342 61.300 -0.218 0.000 1.041 349 I CB 2.108 40.013 38.000 -0.157 0.000 1.235 349 I HN 0.498 nan 8.210 nan 0.000 0.423 350 F N 1.669 121.494 119.950 -0.209 0.000 2.613 350 F HA 0.327 4.854 4.527 0.000 0.000 0.314 350 F C 0.114 175.716 175.800 -0.331 0.000 1.075 350 F CA -0.839 56.835 58.000 -0.544 0.000 0.945 350 F CB 1.324 39.535 39.000 -1.314 0.000 1.310 350 F HN 0.479 nan 8.300 nan 0.000 0.467 351 D N 1.107 121.408 120.400 -0.166 0.000 2.697 351 D HA -0.148 4.492 4.640 -0.000 0.000 0.235 351 D C -1.028 175.366 176.300 0.156 0.000 1.167 351 D CA 0.299 54.321 54.000 0.036 0.000 0.656 351 D CB -0.582 40.288 40.800 0.118 0.000 1.025 351 D HN 0.200 nan 8.370 nan 0.000 0.419 352 V N 1.859 121.869 119.914 0.161 0.000 2.508 352 V HA 0.322 4.442 4.120 -0.000 0.000 0.281 352 V C 1.105 177.395 176.094 0.327 0.000 1.041 352 V CA 0.295 62.767 62.300 0.287 0.000 1.016 352 V CB 1.252 33.218 31.823 0.238 0.000 0.984 352 V HN 0.183 nan 8.190 nan 0.000 0.478 353 R N 4.128 124.864 120.500 0.393 0.000 2.483 353 R HA 0.424 4.764 4.340 -0.000 0.000 0.303 353 R C -1.287 175.167 176.300 0.256 0.000 0.987 353 R CA -0.552 55.726 56.100 0.297 0.000 0.881 353 R CB 2.102 32.515 30.300 0.189 0.000 1.177 353 R HN 0.630 nan 8.270 nan 0.000 0.451 354 F N 2.978 122.930 119.950 0.003 0.000 2.411 354 F HA 0.108 4.635 4.527 -0.000 0.000 0.355 354 F C 0.561 176.290 175.800 -0.119 0.000 1.117 354 F CA 0.056 57.847 58.000 -0.349 0.000 1.139 354 F CB 0.935 39.705 39.000 -0.384 0.000 1.120 354 F HN 0.601 nan 8.300 nan 0.000 0.493 355 Q N 4.725 124.082 119.800 -0.740 0.000 2.406 355 Q HA -0.249 4.091 4.340 -0.000 0.000 0.339 355 Q C 1.117 177.047 176.000 -0.117 0.000 1.337 355 Q CA 0.993 56.538 55.803 -0.430 0.000 0.985 355 Q CB -1.433 27.049 28.738 -0.428 0.000 1.216 355 Q HN 1.298 nan 8.270 nan 0.000 0.415 356 G N -0.402 108.359 108.800 -0.064 0.000 2.199 356 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.254 356 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.254 356 G C -0.091 174.860 174.900 0.084 0.000 0.982 356 G CA 0.398 45.505 45.100 0.012 0.000 0.632 356 G HN 0.505 nan 8.290 nan 0.000 0.529 357 E N 0.178 120.467 120.200 0.149 0.000 2.179 357 E HA 0.592 4.942 4.350 -0.000 0.000 0.275 357 E C 0.391 177.132 176.600 0.234 0.000 0.945 357 E CA -1.090 55.434 56.400 0.207 0.000 0.792 357 E CB 0.755 30.627 29.700 0.286 0.000 1.125 357 E HN 0.323 nan 8.360 nan 0.000 0.397 358 R N 4.438 125.062 120.500 0.207 0.000 2.347 358 R HA 0.133 4.473 4.340 -0.000 0.000 0.304 358 R C 0.400 176.798 176.300 0.162 0.000 1.072 358 R CA 0.105 56.321 56.100 0.192 0.000 0.980 358 R CB 0.427 30.838 30.300 0.184 0.000 0.986 358 R HN 0.702 nan 8.270 nan 0.000 0.448 359 L N 4.060 125.340 121.223 0.094 0.000 2.349 359 L HA 0.229 4.569 4.340 -0.000 0.000 0.200 359 L C 0.462 177.279 176.870 -0.088 0.000 1.064 359 L CA 0.172 54.941 54.840 -0.117 0.000 0.821 359 L CB 0.291 42.183 42.059 -0.278 0.000 1.027 359 L HN 0.417 nan 8.230 nan 0.000 0.476 360 V N -2.128 117.781 119.914 -0.009 0.000 2.656 360 V HA 0.205 4.325 4.120 -0.000 0.000 0.307 360 V C 0.325 176.453 176.094 0.057 0.000 1.051 360 V CA -0.669 61.626 62.300 -0.010 0.000 0.893 360 V CB 1.945 33.719 31.823 -0.083 0.000 0.999 360 V HN 0.288 nan 8.190 nan 0.000 0.426 361 Y N 4.521 124.807 120.300 -0.023 0.000 2.243 361 Y HA 0.332 4.882 4.550 -0.000 0.000 0.293 361 Y C 1.019 176.881 175.900 -0.063 0.000 1.124 361 Y CA 1.766 59.874 58.100 0.014 0.000 1.159 361 Y CB 0.423 38.917 38.460 0.056 0.000 1.008 361 Y HN 0.788 nan 8.280 nan 0.000 0.527 362 E N 0.219 120.335 120.200 -0.140 0.000 2.321 362 E HA 0.388 4.738 4.350 -0.000 0.000 0.281 362 E C -1.922 174.450 176.600 -0.380 0.000 0.910 362 E CA -0.560 55.550 56.400 -0.483 0.000 0.770 362 E CB 1.359 30.886 29.700 -0.289 0.000 1.225 362 E HN 0.189 nan 8.360 nan 0.000 0.417 363 I N 3.473 123.753 120.570 -0.484 0.000 2.468 363 I HA 0.295 4.465 4.170 -0.000 0.000 0.285 363 I C -0.795 175.129 176.117 -0.321 0.000 1.039 363 I CA -0.549 60.563 61.300 -0.313 0.000 1.074 363 I CB 1.863 39.715 38.000 -0.247 0.000 1.228 363 I HN 0.477 nan 8.210 nan 0.000 0.436 364 S N 6.107 121.673 115.700 -0.223 0.000 2.547 364 S HA 0.622 5.092 4.470 -0.000 0.000 0.281 364 S C -0.822 173.692 174.600 -0.144 0.000 1.118 364 S CA -0.853 57.229 58.200 -0.197 0.000 0.947 364 S CB 2.136 65.215 63.200 -0.203 0.000 1.053 364 S HN 0.476 nan 8.310 nan 0.000 0.482 365 L N 2.365 123.444 121.223 -0.240 0.000 2.485 365 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 365 L C 0.995 177.575 176.870 -0.484 0.000 1.207 365 L CA 0.930 55.424 54.840 -0.577 0.000 0.855 365 L CB 0.192 41.730 42.059 -0.868 0.000 1.114 365 L HN 0.874 nan 8.230 nan 0.000 0.485 366 Q N 1.932 121.385 119.800 -0.578 0.000 2.477 366 Q HA 0.269 4.609 4.340 -0.000 0.000 0.252 366 Q C -0.236 175.531 176.000 -0.388 0.000 0.869 366 Q CA 0.298 55.886 55.803 -0.357 0.000 0.969 366 Q CB 0.961 29.547 28.738 -0.253 0.000 1.144 366 Q HN 0.744 nan 8.270 nan 0.000 0.577 367 E N -1.140 118.710 120.200 -0.584 0.000 2.396 367 E HA 0.640 4.990 4.350 -0.000 0.000 0.280 367 E C -2.051 174.264 176.600 -0.474 0.000 1.065 367 E CA -0.301 55.836 56.400 -0.438 0.000 0.831 367 E CB 1.526 30.998 29.700 -0.380 0.000 1.272 367 E HN 0.078 nan 8.360 nan 0.000 0.443 368 A N 1.731 124.429 122.820 -0.202 0.000 2.454 368 A HA 0.884 5.204 4.320 -0.000 0.000 0.302 368 A C -1.834 175.817 177.584 0.111 0.000 1.079 368 A CA -0.606 51.358 52.037 -0.123 0.000 0.731 368 A CB 1.317 20.104 19.000 -0.354 0.000 1.299 368 A HN 0.522 nan 8.150 nan 0.000 0.413 369 L N 0.866 122.187 121.223 0.163 0.000 2.464 369 L HA 0.824 5.164 4.340 -0.000 0.000 0.266 369 L C -0.573 176.305 176.870 0.015 0.000 0.965 369 L CA -0.013 54.861 54.840 0.058 0.000 0.833 369 L CB 1.899 43.909 42.059 -0.083 0.000 1.296 369 L HN 1.282 nan 8.230 nan 0.000 0.405 370 A N 6.232 129.043 122.820 -0.015 0.000 2.357 370 A HA 0.787 5.107 4.320 -0.000 0.000 0.295 370 A C -1.170 176.327 177.584 -0.145 0.000 1.121 370 A CA -0.302 51.672 52.037 -0.106 0.000 0.742 370 A CB 0.599 19.621 19.000 0.036 0.000 1.181 370 A HN 0.611 nan 8.150 nan 0.000 0.454 371 I N 2.521 122.927 120.570 -0.273 0.000 2.378 371 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 371 I C -0.902 175.084 176.117 -0.217 0.000 0.992 371 I CA -0.498 60.679 61.300 -0.204 0.000 1.154 371 I CB 1.377 39.245 38.000 -0.220 0.000 1.315 371 I HN 0.672 nan 8.210 nan 0.000 0.448 372 Y N 3.260 123.490 120.300 -0.116 0.000 2.567 372 Y HA 0.758 5.308 4.550 -0.000 0.000 0.333 372 Y C 0.701 176.559 175.900 -0.070 0.000 1.106 372 Y CA -0.455 57.598 58.100 -0.078 0.000 1.157 372 Y CB 2.200 40.577 38.460 -0.138 0.000 1.277 372 Y HN 0.527 nan 8.280 nan 0.000 0.490 373 G N -0.768 108.117 108.800 0.141 0.000 2.619 373 G HA2 0.653 4.613 3.960 -0.000 0.000 0.296 373 G HA3 0.653 4.613 3.960 -0.000 0.000 0.296 373 G C -1.108 173.806 174.900 0.023 0.000 1.334 373 G CA -0.498 44.646 45.100 0.074 0.000 0.934 373 G HN 0.916 nan 8.290 nan 0.000 0.476 374 G N -0.511 108.177 108.800 -0.186 0.000 2.506 374 G HA2 0.433 4.393 3.960 -0.000 0.000 0.292 374 G HA3 0.433 4.393 3.960 -0.000 0.000 0.292 374 G C 0.129 174.515 174.900 -0.856 0.000 1.425 374 G CA 0.041 44.922 45.100 -0.366 0.000 0.788 374 G HN 0.857 nan 8.290 nan 0.000 0.490 375 N N -1.176 117.117 118.700 -0.679 0.000 2.422 375 N HA 0.069 4.809 4.740 -0.000 0.000 0.181 375 N C 0.917 176.226 175.510 -0.336 0.000 1.080 375 N CA 0.785 53.450 53.050 -0.640 0.000 0.893 375 N CB 0.215 38.327 38.487 -0.626 0.000 0.973 375 N HN 0.676 nan 8.380 nan 0.000 0.456 376 S N -0.980 114.461 115.700 -0.432 0.000 2.739 376 S HA 0.586 5.056 4.470 -0.000 0.000 0.306 376 S C -2.162 171.969 174.600 -0.781 0.000 1.115 376 S CA -1.303 56.472 58.200 -0.709 0.000 0.985 376 S CB 2.304 65.184 63.200 -0.533 0.000 1.133 376 S HN -0.226 nan 8.310 nan 0.000 0.541 377 P HA 0.125 nan 4.420 nan 0.000 0.218 377 P C 1.539 178.293 177.300 -0.910 0.000 1.152 377 P CA 1.557 64.012 63.100 -1.074 0.000 0.826 377 P CB -0.250 30.296 31.700 -1.924 0.000 0.790 378 A N 0.706 123.053 122.820 -0.787 0.000 1.834 378 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 378 A C 2.381 179.752 177.584 -0.356 0.000 1.203 378 A CA 2.629 54.423 52.037 -0.405 0.000 0.621 378 A CB -1.748 17.134 19.000 -0.198 0.000 0.841 378 A HN 0.170 nan 8.150 nan 0.000 0.446 379 A N 0.255 122.856 122.820 -0.364 0.000 1.892 379 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 379 A C 2.336 179.784 177.584 -0.226 0.000 1.188 379 A CA 2.639 54.489 52.037 -0.311 0.000 0.631 379 A CB -0.777 18.061 19.000 -0.270 0.000 0.822 379 A HN 0.967 nan 8.150 nan 0.000 0.447 380 M N -0.502 118.929 119.600 -0.281 0.000 2.619 380 M HA 0.010 4.490 4.480 -0.000 0.000 0.251 380 M C 1.100 177.320 176.300 -0.134 0.000 1.106 380 M CA 1.903 57.080 55.300 -0.206 0.000 1.086 380 M CB -0.445 31.992 32.600 -0.272 0.000 1.465 380 M HN 0.387 nan 8.290 nan 0.000 0.506 381 T N -3.721 110.743 114.554 -0.150 0.000 3.043 381 T HA 0.214 4.564 4.350 -0.000 0.000 0.272 381 T C 0.349 175.002 174.700 -0.079 0.000 0.990 381 T CA -0.298 61.762 62.100 -0.067 0.000 0.897 381 T CB -0.209 68.652 68.868 -0.013 0.000 1.111 381 T HN 0.221 nan 8.240 nan 0.000 0.529 382 T N 3.677 118.135 114.554 -0.159 0.000 2.834 382 T HA 0.455 4.805 4.350 -0.000 0.000 0.298 382 T C -0.222 174.351 174.700 -0.211 0.000 0.966 382 T CA -0.100 61.826 62.100 -0.290 0.000 1.141 382 T CB 0.366 68.931 68.868 -0.505 0.000 0.905 382 T HN 0.212 nan 8.240 nan 0.000 0.535 383 R N 2.615 122.957 120.500 -0.264 0.000 2.576 383 R HA 0.277 4.617 4.340 -0.000 0.000 0.283 383 R C -1.443 174.749 176.300 -0.181 0.000 1.493 383 R CA -0.532 55.442 56.100 -0.210 0.000 1.170 383 R CB 0.451 30.657 30.300 -0.156 0.000 1.189 383 R HN 0.537 nan 8.270 nan 0.000 0.542 384 Y N 1.215 121.516 120.300 0.002 0.000 2.436 384 Y HA 0.173 4.723 4.550 -0.000 0.000 0.336 384 Y C 0.716 176.621 175.900 0.008 0.000 1.049 384 Y CA -0.567 57.565 58.100 0.052 0.000 1.294 384 Y CB 1.048 39.528 38.460 0.034 0.000 1.179 384 Y HN 0.164 nan 8.280 nan 0.000 0.520 385 V N 4.896 124.960 119.914 0.251 0.000 2.217 385 V HA 0.059 4.179 4.120 -0.000 0.000 0.264 385 V C 0.668 176.927 176.094 0.276 0.000 1.107 385 V CA -0.601 61.818 62.300 0.198 0.000 0.913 385 V CB 0.506 32.445 31.823 0.193 0.000 1.153 385 V HN 0.832 nan 8.190 nan 0.000 0.469 386 D N 3.994 124.529 120.400 0.226 0.000 2.228 386 D HA -0.151 4.489 4.640 -0.000 0.000 0.203 386 D C 2.120 178.568 176.300 0.246 0.000 0.988 386 D CA 1.665 55.790 54.000 0.208 0.000 0.864 386 D CB 0.245 41.095 40.800 0.084 0.000 0.928 386 D HN 0.674 nan 8.370 nan 0.000 0.469 387 G N 0.732 109.636 108.800 0.174 0.000 2.462 387 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 387 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 387 G C 1.680 176.708 174.900 0.213 0.000 1.121 387 G CA 0.938 46.143 45.100 0.176 0.000 0.758 387 G HN 0.377 nan 8.290 nan 0.000 0.559 388 G N -0.262 108.652 108.800 0.190 0.000 2.498 388 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.219 388 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.219 388 G C 1.368 176.309 174.900 0.069 0.000 1.119 388 G CA 0.586 45.726 45.100 0.067 0.000 0.766 388 G HN 0.404 nan 8.290 nan 0.000 0.552 389 F N 0.216 120.292 119.950 0.210 0.000 2.298 389 F HA 0.428 4.955 4.527 0.000 0.000 0.282 389 F C 1.522 177.608 175.800 0.478 0.000 1.045 389 F CA 0.932 59.105 58.000 0.288 0.000 1.280 389 F CB 0.147 39.127 39.000 -0.034 0.000 1.114 389 F HN 0.261 nan 8.300 nan 0.000 0.546 390 G N 0.085 109.221 108.800 0.559 0.000 3.160 390 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.573 390 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.573 390 G C -0.123 174.951 174.900 0.290 0.000 1.286 390 G CA -0.644 44.752 45.100 0.494 0.000 1.151 390 G HN 0.006 nan 8.290 nan 0.000 0.555 391 M N 1.956 121.624 119.600 0.113 0.000 2.254 391 M HA 0.136 4.616 4.480 -0.000 0.000 0.265 391 M C 2.517 178.778 176.300 -0.065 0.000 1.066 391 M CA 2.752 58.070 55.300 0.029 0.000 1.123 391 M CB -0.229 32.278 32.600 -0.155 0.000 1.388 391 M HN 0.781 nan 8.290 nan 0.000 0.425 392 G N -0.707 107.978 108.800 -0.191 0.000 2.394 392 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.214 392 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.214 392 G C 1.562 176.279 174.900 -0.305 0.000 1.176 392 G CA 0.683 45.502 45.100 -0.468 0.000 0.786 392 G HN 0.428 nan 8.290 nan 0.000 0.533 393 K N -0.620 119.750 120.400 -0.051 0.000 2.160 393 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 393 K C 0.946 177.486 176.600 -0.101 0.000 1.047 393 K CA 1.090 57.346 56.287 -0.052 0.000 0.930 393 K CB -0.226 32.321 32.500 0.077 0.000 0.720 393 K HN 0.424 nan 8.250 nan 0.000 0.450 394 Y N 0.775 121.054 120.300 -0.035 0.000 2.708 394 Y HA 0.179 4.729 4.550 -0.000 0.000 0.287 394 Y C -0.144 175.740 175.900 -0.027 0.000 1.145 394 Y CA -0.299 57.804 58.100 0.005 0.000 1.249 394 Y CB 0.407 38.916 38.460 0.082 0.000 1.152 394 Y HN -0.173 nan 8.280 nan 0.000 0.532 395 T N 1.399 115.937 114.554 -0.026 0.000 2.888 395 T HA 0.187 4.537 4.350 -0.000 0.000 0.301 395 T C 0.674 175.346 174.700 -0.045 0.000 1.001 395 T CA 0.114 62.163 62.100 -0.084 0.000 1.147 395 T CB 0.433 69.111 68.868 -0.316 0.000 0.931 395 T HN 0.353 nan 8.240 nan 0.000 0.541 396 T N 2.032 116.578 114.554 -0.013 0.000 2.945 396 T HA 0.590 4.940 4.350 -0.000 0.000 0.286 396 T C -2.872 171.797 174.700 -0.052 0.000 1.025 396 T CA -2.450 59.638 62.100 -0.019 0.000 1.039 396 T CB 1.139 70.020 68.868 0.022 0.000 1.068 396 T HN 0.153 nan 8.240 nan 0.000 0.497 397 P HA 0.298 nan 4.420 nan 0.000 0.271 397 P C -0.728 176.543 177.300 -0.048 0.000 1.218 397 P CA -0.496 62.531 63.100 -0.121 0.000 0.780 397 P CB 0.318 31.835 31.700 -0.303 0.000 0.901 398 L N 2.234 123.458 121.223 0.001 0.000 2.265 398 L HA 0.242 4.582 4.340 -0.000 0.000 0.288 398 L C 0.597 177.478 176.870 0.019 0.000 1.058 398 L CA -0.261 54.627 54.840 0.081 0.000 0.809 398 L CB 0.346 42.545 42.059 0.233 0.000 1.179 398 L HN 0.267 nan 8.230 nan 0.000 0.429 399 T N 3.898 118.500 114.554 0.079 0.000 2.752 399 T HA 0.159 4.509 4.350 -0.000 0.000 0.295 399 T C 0.503 175.231 174.700 0.046 0.000 0.923 399 T CA -0.370 61.801 62.100 0.118 0.000 1.112 399 T CB -0.082 68.885 68.868 0.165 0.000 0.884 399 T HN 0.422 nan 8.240 nan 0.000 0.525 400 R N 2.431 122.858 120.500 -0.122 0.000 2.473 400 R HA 0.302 4.642 4.340 -0.000 0.000 0.315 400 R C 1.564 177.881 176.300 0.027 0.000 0.972 400 R CA 0.859 56.817 56.100 -0.237 0.000 1.047 400 R CB -0.139 29.777 30.300 -0.640 0.000 0.932 400 R HN 1.017 nan 8.270 nan 0.000 0.411 401 G N 1.195 110.052 108.800 0.095 0.000 2.195 401 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 401 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 401 G C 0.482 175.427 174.900 0.076 0.000 0.984 401 G CA 0.198 45.392 45.100 0.157 0.000 0.633 401 G HN 0.454 nan 8.290 nan 0.000 0.525 402 V N 0.021 119.968 119.914 0.054 0.000 2.870 402 V HA 0.174 4.294 4.120 -0.000 0.000 0.232 402 V C 2.160 178.255 176.094 0.001 0.000 1.161 402 V CA 1.644 63.954 62.300 0.016 0.000 1.204 402 V CB -0.220 31.612 31.823 0.015 0.000 1.003 402 V HN 0.154 nan 8.190 nan 0.000 0.499 403 D N -0.196 120.223 120.400 0.031 0.000 2.149 403 D HA 0.005 4.645 4.640 -0.000 0.000 0.201 403 D C 0.619 176.923 176.300 0.007 0.000 0.972 403 D CA 1.066 55.082 54.000 0.026 0.000 0.835 403 D CB 0.084 40.926 40.800 0.071 0.000 0.966 403 D HN 0.426 nan 8.370 nan 0.000 0.476 404 c N -0.651 117.956 118.600 0.011 0.000 3.259 404 c HA 0.485 5.055 4.570 -0.000 0.000 0.328 404 c C -2.466 171.503 174.090 -0.202 0.000 1.425 404 c CA -1.715 54.486 56.329 -0.213 0.000 1.465 404 c CB 1.598 43.953 42.510 -0.259 0.000 1.890 404 c HN 0.010 nan 8.230 nan 0.000 0.450 405 P HA 0.104 nan 4.420 nan 0.000 0.271 405 P C 0.125 177.459 177.300 0.057 0.000 1.216 405 P CA 0.186 63.174 63.100 -0.186 0.000 0.776 405 P CB 0.235 31.759 31.700 -0.293 0.000 0.881 406 Y N 2.920 123.246 120.300 0.043 0.000 2.096 406 Y HA -0.230 4.320 4.550 0.000 0.000 0.278 406 Y C 1.568 177.581 175.900 0.188 0.000 1.192 406 Y CA 1.700 59.877 58.100 0.128 0.000 1.143 406 Y CB -0.320 38.186 38.460 0.077 0.000 0.963 406 Y HN 0.236 nan 8.280 nan 0.000 0.505 407 L N 0.409 121.831 121.223 0.331 0.000 2.645 407 L HA 0.183 4.523 4.340 -0.000 0.000 0.234 407 L C 1.105 178.115 176.870 0.234 0.000 1.165 407 L CA -0.240 54.750 54.840 0.250 0.000 0.944 407 L CB -0.810 41.287 42.059 0.063 0.000 1.149 407 L HN 0.211 nan 8.230 nan 0.000 0.446 408 A N -0.331 122.591 122.820 0.169 0.000 2.429 408 A HA 0.214 4.534 4.320 -0.000 0.000 0.242 408 A C 0.407 178.020 177.584 0.048 0.000 1.088 408 A CA 0.152 52.223 52.037 0.057 0.000 0.784 408 A CB 0.086 18.835 19.000 -0.419 0.000 1.038 408 A HN 0.172 nan 8.150 nan 0.000 0.501 409 T N 1.649 116.260 114.554 0.095 0.000 2.728 409 T HA 0.462 4.812 4.350 -0.000 0.000 0.296 409 T C -0.888 173.756 174.700 -0.094 0.000 0.940 409 T CA 0.559 62.717 62.100 0.096 0.000 1.013 409 T CB -0.329 68.659 68.868 0.201 0.000 0.912 409 T HN 0.357 nan 8.240 nan 0.000 0.484 410 Y N 1.814 122.198 120.300 0.139 0.000 2.352 410 Y HA 0.602 5.152 4.550 -0.000 0.000 0.326 410 Y C 0.278 176.277 175.900 0.165 0.000 1.166 410 Y CA -0.868 57.312 58.100 0.134 0.000 1.182 410 Y CB 1.176 39.666 38.460 0.050 0.000 1.216 410 Y HN 0.257 nan 8.280 nan 0.000 0.474 411 V N 2.599 122.737 119.914 0.374 0.000 2.760 411 V HA 0.269 4.389 4.120 -0.000 0.000 0.309 411 V C -0.965 175.386 176.094 0.429 0.000 1.077 411 V CA -1.175 61.358 62.300 0.388 0.000 0.910 411 V CB 2.101 34.204 31.823 0.466 0.000 1.008 411 V HN 0.657 nan 8.190 nan 0.000 0.424 412 D N 1.651 122.233 120.400 0.304 0.000 2.264 412 D HA 0.341 4.981 4.640 -0.000 0.000 0.249 412 D C -0.895 175.547 176.300 0.236 0.000 1.070 412 D CA -0.039 54.096 54.000 0.225 0.000 0.912 412 D CB 1.726 42.626 40.800 0.168 0.000 1.193 412 D HN 0.544 nan 8.370 nan 0.000 0.427 413 W N 2.469 123.763 121.300 -0.011 0.000 2.529 413 W HA 0.252 4.912 4.660 0.000 0.000 0.321 413 W C -0.782 175.753 176.519 0.027 0.000 1.047 413 W CA -0.460 56.869 57.345 -0.027 0.000 1.216 413 W CB 0.722 30.162 29.460 -0.033 0.000 1.357 413 W HN 0.262 nan 8.180 nan 0.000 0.489 414 H N 6.500 125.384 119.070 -0.309 0.000 2.472 414 H HA 0.554 5.110 4.556 0.000 0.000 0.338 414 H C -0.579 174.275 175.328 -0.790 0.000 1.133 414 H CA -0.771 55.032 56.048 -0.409 0.000 1.216 414 H CB 1.027 30.638 29.762 -0.251 0.000 1.497 414 H HN 0.433 nan 8.280 nan 0.000 0.500 415 F N 0.609 120.133 119.950 -0.709 0.000 2.662 415 F HA 0.575 5.102 4.527 0.000 0.000 0.312 415 F C -1.909 173.660 175.800 -0.386 0.000 1.113 415 F CA -1.347 56.208 58.000 -0.742 0.000 0.951 415 F CB 1.583 39.919 39.000 -1.106 0.000 1.344 415 F HN 0.293 nan 8.300 nan 0.000 0.462 416 L N 3.510 124.591 121.223 -0.237 0.000 2.427 416 L HA 0.720 5.060 4.340 -0.000 0.000 0.264 416 L C -1.963 174.866 176.870 -0.069 0.000 0.989 416 L CA -0.305 54.393 54.840 -0.237 0.000 0.865 416 L CB 1.393 43.344 42.059 -0.181 0.000 1.209 416 L HN 0.738 nan 8.230 nan 0.000 0.430 417 L N 4.448 125.674 121.223 0.005 0.000 2.505 417 L HA 0.456 4.796 4.340 -0.000 0.000 0.266 417 L C 0.040 176.884 176.870 -0.042 0.000 0.954 417 L CA -0.756 54.061 54.840 -0.038 0.000 0.852 417 L CB 2.121 44.199 42.059 0.031 0.000 1.282 417 L HN 0.556 nan 8.230 nan 0.000 0.403 418 E N 1.125 121.246 120.200 -0.132 0.000 2.360 418 E HA -0.232 4.118 4.350 -0.000 0.000 0.238 418 E C -0.254 176.383 176.600 0.062 0.000 1.186 418 E CA 0.965 57.375 56.400 0.017 0.000 0.719 418 E CB -0.746 29.035 29.700 0.134 0.000 1.236 418 E HN 0.704 nan 8.360 nan 0.000 0.386 419 S N -2.278 113.423 115.700 0.003 0.000 2.661 419 S HA 0.377 4.847 4.470 -0.000 0.000 0.268 419 S C 0.250 174.831 174.600 -0.032 0.000 1.162 419 S CA -0.782 57.418 58.200 -0.001 0.000 0.817 419 S CB 1.904 65.081 63.200 -0.038 0.000 1.141 419 S HN 0.059 nan 8.310 nan 0.000 0.477 420 Q N -0.374 119.406 119.800 -0.033 0.000 2.394 420 Q HA 0.483 4.823 4.340 -0.000 0.000 0.218 420 Q C 0.550 176.508 176.000 -0.069 0.000 0.907 420 Q CA 0.619 56.401 55.803 -0.035 0.000 0.919 420 Q CB 0.728 29.460 28.738 -0.010 0.000 1.051 420 Q HN 0.877 nan 8.270 nan 0.000 0.538 421 A N 2.013 124.775 122.820 -0.098 0.000 2.312 421 A HA 0.549 4.869 4.320 -0.000 0.000 0.326 421 A C -2.489 174.961 177.584 -0.223 0.000 1.172 421 A CA -1.662 50.293 52.037 -0.137 0.000 0.821 421 A CB 0.353 19.280 19.000 -0.123 0.000 1.166 421 A HN -0.022 nan 8.150 nan 0.000 0.493 422 P HA 0.292 nan 4.420 nan 0.000 0.271 422 P C -0.237 176.774 177.300 -0.482 0.000 1.218 422 P CA -0.078 62.785 63.100 -0.395 0.000 0.780 422 P CB 0.902 32.410 31.700 -0.320 0.000 0.901 423 K N 0.497 120.416 120.400 -0.802 0.000 2.279 423 K HA 0.765 5.085 4.320 -0.000 0.000 0.238 423 K C -0.111 176.153 176.600 -0.559 0.000 1.084 423 K CA -0.608 55.256 56.287 -0.706 0.000 0.885 423 K CB 1.320 33.349 32.500 -0.786 0.000 1.319 423 K HN 0.527 nan 8.250 nan 0.000 0.494 424 T N 1.175 115.630 114.554 -0.164 0.000 2.881 424 T HA 0.489 4.839 4.350 -0.000 0.000 0.290 424 T C -0.821 174.044 174.700 0.275 0.000 1.000 424 T CA -0.614 61.574 62.100 0.147 0.000 0.978 424 T CB 0.549 69.507 68.868 0.150 0.000 0.997 424 T HN 0.355 nan 8.240 nan 0.000 0.443 425 I N 3.563 124.351 120.570 0.364 0.000 2.297 425 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 425 I C 0.832 177.035 176.117 0.143 0.000 1.033 425 I CA -0.493 60.941 61.300 0.223 0.000 1.253 425 I CB 0.586 38.715 38.000 0.214 0.000 1.396 425 I HN 0.430 nan 8.210 nan 0.000 0.476 426 R N 5.635 126.166 120.500 0.051 0.000 2.438 426 R HA 0.115 4.455 4.340 -0.000 0.000 0.287 426 R C -0.302 175.991 176.300 -0.013 0.000 1.077 426 R CA -0.321 55.792 56.100 0.021 0.000 1.034 426 R CB 0.484 30.755 30.300 -0.048 0.000 0.993 426 R HN 0.538 nan 8.270 nan 0.000 0.459 427 D N 1.190 121.628 120.400 0.064 0.000 2.746 427 D HA -0.202 4.438 4.640 -0.000 0.000 0.236 427 D C 0.754 177.109 176.300 0.092 0.000 1.129 427 D CA 1.147 55.219 54.000 0.120 0.000 0.691 427 D CB -1.195 39.598 40.800 -0.011 0.000 1.077 427 D HN 0.741 nan 8.370 nan 0.000 0.432 428 A N -0.924 121.919 122.820 0.038 0.000 1.898 428 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 428 A C 0.815 178.201 177.584 -0.330 0.000 1.181 428 A CA 0.919 52.825 52.037 -0.219 0.000 0.620 428 A CB 0.011 18.782 19.000 -0.381 0.000 0.819 428 A HN 0.243 nan 8.150 nan 0.000 0.442 429 F N -1.334 118.719 119.950 0.171 0.000 2.507 429 F HA 0.531 5.058 4.527 -0.000 0.000 0.327 429 F C 0.449 176.311 175.800 0.103 0.000 1.068 429 F CA -1.007 57.082 58.000 0.149 0.000 0.965 429 F CB 1.361 40.487 39.000 0.210 0.000 1.192 429 F HN 0.295 nan 8.300 nan 0.000 0.476 430 c N 0.587 119.327 118.600 0.232 0.000 2.712 430 c HA 0.976 5.546 4.570 -0.000 0.000 0.308 430 c C -1.092 173.043 174.090 0.073 0.000 1.201 430 c CA -0.972 55.347 56.329 -0.016 0.000 1.554 430 c CB 0.982 43.333 42.510 -0.265 0.000 2.117 430 c HN 0.670 nan 8.230 nan 0.000 0.480 431 V N 3.397 123.343 119.914 0.053 0.000 2.686 431 V HA 0.873 4.993 4.120 -0.000 0.000 0.306 431 V C -0.499 175.694 176.094 0.166 0.000 1.065 431 V CA -0.126 62.180 62.300 0.009 0.000 0.894 431 V CB 1.328 33.106 31.823 -0.075 0.000 1.004 431 V HN 1.103 nan 8.190 nan 0.000 0.424 432 F N 1.033 120.815 119.950 -0.280 0.000 2.770 432 F HA 0.703 5.230 4.527 -0.000 0.000 0.313 432 F C -0.893 174.732 175.800 -0.292 0.000 1.154 432 F CA -1.012 56.893 58.000 -0.159 0.000 0.923 432 F CB 1.454 40.489 39.000 0.059 0.000 1.301 432 F HN 0.361 nan 8.300 nan 0.000 0.449 433 E N 1.130 121.340 120.200 0.016 0.000 2.191 433 E HA 0.400 4.750 4.350 -0.000 0.000 0.278 433 E C -1.443 175.332 176.600 0.293 0.000 0.972 433 E CA -0.955 55.429 56.400 -0.027 0.000 0.804 433 E CB 1.958 31.627 29.700 -0.052 0.000 1.110 433 E HN 0.547 nan 8.360 nan 0.000 0.394 434 Q N 2.797 122.689 119.800 0.153 0.000 2.330 434 Q HA 0.158 4.498 4.340 -0.000 0.000 0.269 434 Q C -1.063 175.023 176.000 0.144 0.000 1.022 434 Q CA -0.665 55.278 55.803 0.234 0.000 0.796 434 Q CB 1.110 29.994 28.738 0.244 0.000 1.271 434 Q HN 0.398 nan 8.270 nan 0.000 0.450 435 N N 3.517 122.309 118.700 0.154 0.000 2.420 435 N HA -0.011 4.729 4.740 -0.000 0.000 0.262 435 N C -0.019 175.553 175.510 0.103 0.000 1.144 435 N CA 0.194 53.313 53.050 0.115 0.000 0.952 435 N CB 0.953 39.503 38.487 0.105 0.000 1.081 435 N HN 0.673 nan 8.380 nan 0.000 0.480 436 Q N 2.751 122.608 119.800 0.095 0.000 2.436 436 Q HA 0.028 4.368 4.340 -0.000 0.000 0.209 436 Q C 0.741 176.788 176.000 0.078 0.000 0.965 436 Q CA 0.592 56.449 55.803 0.089 0.000 0.910 436 Q CB -0.089 28.708 28.738 0.098 0.000 0.980 436 Q HN 0.904 nan 8.270 nan 0.000 0.491 437 G N 1.755 110.601 108.800 0.076 0.000 2.298 437 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.287 437 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.287 437 G C -0.380 174.557 174.900 0.061 0.000 1.075 437 G CA 0.471 45.610 45.100 0.065 0.000 0.960 437 G HN 0.266 nan 8.290 nan 0.000 0.502 438 L N -0.262 121.004 121.223 0.071 0.000 2.830 438 L HA 0.448 4.788 4.340 -0.000 0.000 0.259 438 L C -2.554 174.364 176.870 0.079 0.000 0.926 438 L CA -1.261 53.620 54.840 0.067 0.000 0.993 438 L CB 2.174 44.271 42.059 0.063 0.000 1.589 438 L HN 0.020 nan 8.230 nan 0.000 0.460 439 P HA 0.117 nan 4.420 nan 0.000 0.276 439 P C 0.625 177.969 177.300 0.073 0.000 1.230 439 P CA -0.418 62.736 63.100 0.089 0.000 0.776 439 P CB 1.450 33.209 31.700 0.098 0.000 0.888 440 L N 3.714 124.987 121.223 0.083 0.000 2.017 440 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 440 L C 1.098 177.994 176.870 0.043 0.000 1.073 440 L CA 1.877 56.760 54.840 0.072 0.000 0.745 440 L CB -0.356 41.759 42.059 0.093 0.000 0.894 440 L HN 0.576 nan 8.230 nan 0.000 0.432 441 R N -1.128 119.400 120.500 0.047 0.000 2.692 441 R HA 0.629 4.969 4.340 -0.000 0.000 0.269 441 R C -1.041 175.265 176.300 0.010 0.000 1.030 441 R CA -0.947 55.166 56.100 0.021 0.000 0.882 441 R CB 1.169 31.477 30.300 0.013 0.000 1.250 441 R HN 0.104 nan 8.270 nan 0.000 0.465 442 R N 1.727 122.214 120.500 -0.022 0.000 2.644 442 R HA 0.313 4.653 4.340 -0.000 0.000 0.257 442 R C -2.148 174.110 176.300 -0.069 0.000 1.082 442 R CA -0.797 55.244 56.100 -0.098 0.000 0.927 442 R CB 1.933 32.227 30.300 -0.009 0.000 1.258 442 R HN 0.901 nan 8.270 nan 0.000 0.459 443 H N 1.993 120.836 119.070 -0.378 0.000 2.856 443 H HA 0.334 4.890 4.556 -0.000 0.000 0.355 443 H C -1.753 173.336 175.328 -0.398 0.000 1.079 443 H CA -0.467 55.415 56.048 -0.276 0.000 1.240 443 H CB 1.307 30.979 29.762 -0.150 0.000 1.701 443 H HN 0.566 nan 8.280 nan 0.000 0.527 444 H N 3.789 122.399 119.070 -0.766 0.000 2.551 444 H HA 0.349 4.905 4.556 -0.000 0.000 0.321 444 H C -0.981 173.799 175.328 -0.914 0.000 1.028 444 H CA -0.213 55.485 56.048 -0.583 0.000 1.215 444 H CB 1.200 30.856 29.762 -0.178 0.000 1.414 444 H HN 0.495 nan 8.280 nan 0.000 0.480 445 S N 4.069 119.040 115.700 -1.215 0.000 2.423 445 S HA 0.128 4.598 4.470 -0.000 0.000 0.317 445 S C 0.303 174.511 174.600 -0.653 0.000 1.065 445 S CA -0.696 56.943 58.200 -0.935 0.000 1.111 445 S CB 0.330 62.774 63.200 -1.260 0.000 0.968 445 S HN 0.674 nan 8.310 nan 0.000 0.474 446 D N 3.302 123.477 120.400 -0.375 0.000 2.349 446 D HA 0.134 4.774 4.640 -0.000 0.000 0.214 446 D C -0.296 175.969 176.300 -0.059 0.000 1.063 446 D CA 0.160 53.993 54.000 -0.278 0.000 0.847 446 D CB 0.357 41.065 40.800 -0.154 0.000 0.933 446 D HN 0.368 nan 8.370 nan 0.000 0.513 447 L N 0.695 121.857 121.223 -0.102 0.000 2.294 447 L HA 0.161 4.501 4.340 -0.000 0.000 0.283 447 L C -0.236 176.568 176.870 -0.111 0.000 1.015 447 L CA -0.275 54.436 54.840 -0.215 0.000 0.831 447 L CB 0.357 42.182 42.059 -0.389 0.000 1.217 447 L HN -0.058 nan 8.230 nan 0.000 0.420 448 Y N 0.972 121.331 120.300 0.100 0.000 2.802 448 Y HA -0.311 4.238 4.550 -0.000 0.000 0.485 448 Y C 0.883 176.818 175.900 0.059 0.000 1.190 448 Y CA 0.962 59.099 58.100 0.061 0.000 2.757 448 Y CB -1.828 36.670 38.460 0.064 0.000 0.919 448 Y HN 0.618 nan 8.280 nan 0.000 0.540 449 S N 0.146 116.037 115.700 0.318 0.000 2.521 449 S HA 0.557 5.027 4.470 -0.000 0.000 0.295 449 S C -0.969 173.853 174.600 0.370 0.000 1.098 449 S CA -0.553 57.827 58.200 0.300 0.000 0.999 449 S CB 0.800 64.222 63.200 0.370 0.000 1.034 449 S HN 0.317 nan 8.310 nan 0.000 0.483 450 H N 3.943 123.090 119.070 0.128 0.000 2.690 450 H HA 0.454 5.010 4.556 -0.000 0.000 0.289 450 H C -0.968 174.383 175.328 0.039 0.000 1.089 450 H CA -0.463 55.570 56.048 -0.025 0.000 1.299 450 H CB 0.456 30.210 29.762 -0.012 0.000 1.405 450 H HN 0.664 nan 8.280 nan 0.000 0.463 451 Y N 1.806 122.051 120.300 -0.091 0.000 2.624 451 Y HA 0.466 5.016 4.550 -0.000 0.000 0.334 451 Y C -2.141 173.562 175.900 -0.329 0.000 1.155 451 Y CA -1.643 56.338 58.100 -0.199 0.000 1.046 451 Y CB 1.266 39.687 38.460 -0.066 0.000 1.316 451 Y HN 0.362 nan 8.280 nan 0.000 0.457 452 F N 1.015 120.635 119.950 -0.550 0.000 2.551 452 F HA 0.911 5.438 4.527 -0.000 0.000 0.316 452 F C -0.567 175.036 175.800 -0.329 0.000 1.089 452 F CA -0.764 56.894 58.000 -0.569 0.000 0.915 452 F CB 2.510 41.002 39.000 -0.847 0.000 1.186 452 F HN 0.955 nan 8.300 nan 0.000 0.456 453 G N 2.471 110.828 108.800 -0.740 0.000 2.711 453 G HA2 0.569 4.529 3.960 -0.000 0.000 0.288 453 G HA3 0.569 4.529 3.960 -0.000 0.000 0.288 453 G C -1.334 173.287 174.900 -0.465 0.000 1.451 453 G CA -0.211 44.761 45.100 -0.212 0.000 1.186 453 G HN 1.129 nan 8.290 nan 0.000 0.560 454 G N -0.504 108.219 108.800 -0.128 0.000 2.682 454 G HA2 0.806 4.766 3.960 -0.000 0.000 0.303 454 G HA3 0.806 4.766 3.960 -0.000 0.000 0.303 454 G C -2.162 172.826 174.900 0.147 0.000 1.341 454 G CA -0.783 44.317 45.100 -0.000 0.000 0.784 454 G HN 1.579 nan 8.290 nan 0.000 0.497 455 L N -0.318 120.991 121.223 0.143 0.000 2.795 455 L HA 0.743 5.083 4.340 -0.000 0.000 0.260 455 L C -0.019 176.927 176.870 0.127 0.000 0.935 455 L CA -0.361 54.558 54.840 0.133 0.000 0.985 455 L CB 1.097 43.217 42.059 0.101 0.000 1.433 455 L HN 1.381 nan 8.230 nan 0.000 0.447 456 A N 3.516 126.413 122.820 0.129 0.000 2.425 456 A HA 0.429 4.748 4.320 -0.000 0.000 0.249 456 A C 0.095 177.744 177.584 0.109 0.000 1.084 456 A CA -0.157 51.949 52.037 0.114 0.000 0.781 456 A CB 0.208 19.271 19.000 0.106 0.000 1.019 456 A HN 0.763 nan 8.150 nan 0.000 0.490 457 E N 1.077 121.342 120.200 0.109 0.000 2.194 457 E HA 0.307 4.657 4.350 -0.000 0.000 0.284 457 E C -0.852 175.816 176.600 0.112 0.000 1.035 457 E CA 0.043 56.516 56.400 0.122 0.000 0.836 457 E CB 0.559 30.341 29.700 0.137 0.000 1.070 457 E HN 0.566 nan 8.360 nan 0.000 0.401 458 T N 3.732 118.352 114.554 0.111 0.000 2.809 458 T HA 0.337 4.687 4.350 -0.000 0.000 0.284 458 T C -0.446 174.292 174.700 0.063 0.000 0.992 458 T CA -0.675 61.476 62.100 0.086 0.000 0.957 458 T CB 1.045 69.963 68.868 0.084 0.000 0.942 458 T HN 0.363 nan 8.240 nan 0.000 0.439 459 V N 2.125 122.036 119.914 -0.006 0.000 2.850 459 V HA 0.829 4.949 4.120 -0.000 0.000 0.315 459 V C -0.629 175.350 176.094 -0.192 0.000 1.064 459 V CA -1.200 61.028 62.300 -0.119 0.000 0.979 459 V CB 1.587 33.246 31.823 -0.273 0.000 1.039 459 V HN 0.637 nan 8.190 nan 0.000 0.452 460 L N 3.129 124.209 121.223 -0.238 0.000 2.287 460 L HA 0.745 5.085 4.340 -0.000 0.000 0.287 460 L C -0.347 176.283 176.870 -0.399 0.000 1.022 460 L CA 0.045 54.672 54.840 -0.354 0.000 0.814 460 L CB 1.376 43.270 42.059 -0.274 0.000 1.217 460 L HN 0.677 nan 8.230 nan 0.000 0.420 461 V N 5.250 124.753 119.914 -0.685 0.000 2.667 461 V HA 0.693 4.813 4.120 -0.000 0.000 0.308 461 V C -0.543 175.263 176.094 -0.480 0.000 1.048 461 V CA -0.752 61.133 62.300 -0.691 0.000 0.928 461 V CB 2.019 33.117 31.823 -1.208 0.000 1.004 461 V HN 0.491 nan 8.190 nan 0.000 0.444 462 V N 3.961 123.728 119.914 -0.244 0.000 2.686 462 V HA 0.651 4.771 4.120 -0.000 0.000 0.306 462 V C -0.342 175.759 176.094 0.012 0.000 1.065 462 V CA -0.677 61.561 62.300 -0.104 0.000 0.894 462 V CB 1.914 33.701 31.823 -0.059 0.000 1.004 462 V HN 0.916 nan 8.190 nan 0.000 0.424 463 R N 2.492 123.070 120.500 0.131 0.000 2.651 463 R HA 0.792 5.132 4.340 -0.000 0.000 0.278 463 R C -1.136 175.312 176.300 0.246 0.000 1.010 463 R CA -0.185 56.035 56.100 0.200 0.000 0.896 463 R CB 2.344 32.773 30.300 0.215 0.000 1.211 463 R HN 0.814 nan 8.270 nan 0.000 0.456 464 S N 3.510 119.362 115.700 0.254 0.000 2.632 464 S HA 0.644 5.114 4.470 -0.000 0.000 0.289 464 S C -0.806 173.925 174.600 0.218 0.000 1.115 464 S CA -0.963 57.337 58.200 0.166 0.000 0.889 464 S CB 1.980 65.231 63.200 0.086 0.000 1.116 464 S HN 0.532 nan 8.310 nan 0.000 0.486 465 M N 1.639 121.316 119.600 0.128 0.000 2.327 465 M HA 0.442 4.922 4.480 -0.000 0.000 0.298 465 M C -1.116 175.272 176.300 0.147 0.000 1.065 465 M CA -0.426 54.941 55.300 0.112 0.000 0.916 465 M CB 2.365 34.988 32.600 0.040 0.000 1.630 465 M HN 0.510 nan 8.290 nan 0.000 0.442 466 S N 1.400 117.248 115.700 0.246 0.000 2.433 466 S HA 0.500 4.970 4.470 -0.000 0.000 0.310 466 S C -0.429 174.290 174.600 0.198 0.000 1.097 466 S CA -0.614 57.758 58.200 0.287 0.000 1.103 466 S CB 1.249 64.751 63.200 0.504 0.000 0.992 466 S HN 0.605 nan 8.310 nan 0.000 0.469 467 T N 4.371 119.016 114.554 0.153 0.000 2.801 467 T HA 0.404 4.754 4.350 -0.000 0.000 0.306 467 T C -0.360 174.394 174.700 0.091 0.000 1.020 467 T CA -0.323 61.825 62.100 0.081 0.000 0.948 467 T CB -0.127 68.799 68.868 0.097 0.000 0.962 467 T HN 0.355 nan 8.240 nan 0.000 0.465 468 L N 5.550 126.729 121.223 -0.072 0.000 2.277 468 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 468 L C 0.707 177.381 176.870 -0.327 0.000 1.028 468 L CA -0.425 54.256 54.840 -0.265 0.000 0.835 468 L CB 0.477 42.371 42.059 -0.275 0.000 1.215 468 L HN 0.684 nan 8.230 nan 0.000 0.425 469 L N 1.151 122.247 121.223 -0.211 0.000 5.154 469 L HA -0.420 3.920 4.340 -0.000 0.000 0.053 469 L C 0.880 177.574 176.870 -0.293 0.000 3.137 469 L CA 1.534 56.300 54.840 -0.123 0.000 1.466 469 L CB -0.950 40.948 42.059 -0.269 0.000 2.980 469 L HN 0.915 nan 8.230 nan 0.000 0.938 473 Y N 0.341 120.533 120.300 -0.180 0.000 2.308 473 Y HA 0.572 5.122 4.550 -0.000 0.000 0.329 473 Y C 0.471 176.029 175.900 -0.571 0.000 1.111 473 Y CA -0.828 57.023 58.100 -0.416 0.000 1.179 473 Y CB 1.120 39.189 38.460 -0.652 0.000 1.201 473 Y HN 0.127 nan 8.280 nan 0.000 0.483 474 V N 2.684 122.395 119.914 -0.340 0.000 2.483 474 V HA 0.288 4.408 4.120 -0.000 0.000 0.295 474 V C -1.099 174.802 176.094 -0.322 0.000 1.035 474 V CA -1.272 60.896 62.300 -0.220 0.000 0.896 474 V CB 0.997 32.815 31.823 -0.009 0.000 0.986 474 V HN 0.739 nan 8.190 nan 0.000 0.447 475 W N 2.237 123.661 121.300 0.207 0.000 2.391 475 W HA 0.537 5.197 4.660 -0.000 0.000 0.312 475 W C -0.472 176.103 176.519 0.094 0.000 1.003 475 W CA -0.521 56.921 57.345 0.161 0.000 1.375 475 W CB 1.087 30.602 29.460 0.093 0.000 1.253 475 W HN 0.411 nan 8.180 nan 0.000 0.416 476 D N 1.679 122.223 120.400 0.241 0.000 2.177 476 D HA 0.441 5.081 4.640 -0.000 0.000 0.247 476 D C -0.331 175.896 176.300 -0.122 0.000 1.063 476 D CA -0.046 53.989 54.000 0.059 0.000 0.867 476 D CB 1.758 42.590 40.800 0.054 0.000 1.168 476 D HN 0.031 nan 8.370 nan 0.000 0.445 477 T N 1.430 115.844 114.554 -0.234 0.000 2.847 477 T HA 0.419 4.769 4.350 -0.000 0.000 0.291 477 T C -0.581 173.740 174.700 -0.633 0.000 0.998 477 T CA -0.565 61.233 62.100 -0.503 0.000 0.967 477 T CB 1.029 69.592 68.868 -0.510 0.000 0.954 477 T HN -0.022 nan 8.240 nan 0.000 0.441 478 V N 4.541 124.004 119.914 -0.753 0.000 2.409 478 V HA 0.541 4.661 4.120 -0.000 0.000 0.291 478 V C -0.858 174.687 176.094 -0.915 0.000 1.020 478 V CA -0.908 60.975 62.300 -0.695 0.000 0.848 478 V CB 0.922 32.434 31.823 -0.518 0.000 0.990 478 V HN 0.780 nan 8.190 nan 0.000 0.430 479 F N 3.780 123.294 119.950 -0.727 0.000 2.404 479 F HA 0.525 5.052 4.527 -0.000 0.000 0.354 479 F C 0.783 176.333 175.800 -0.416 0.000 1.122 479 F CA -0.380 57.128 58.000 -0.821 0.000 1.080 479 F CB 0.778 38.897 39.000 -1.468 0.000 1.131 479 F HN 0.474 nan 8.300 nan 0.000 0.471 480 H N 3.938 123.122 119.070 0.189 0.000 2.483 480 H HA 0.208 4.764 4.556 -0.000 0.000 0.338 480 H C -1.721 173.939 175.328 0.553 0.000 1.152 480 H CA -1.845 54.383 56.048 0.301 0.000 1.264 480 H CB 1.708 31.587 29.762 0.195 0.000 1.510 480 H HN 0.283 nan 8.280 nan 0.000 0.530 481 P HA -0.095 nan 4.420 nan 0.000 0.233 481 P C 1.224 178.736 177.300 0.352 0.000 1.167 481 P CA 0.800 64.168 63.100 0.448 0.000 0.770 481 P CB 0.136 32.006 31.700 0.283 0.000 0.837 482 S N -1.610 114.247 115.700 0.262 0.000 2.561 482 S HA 0.232 4.702 4.470 -0.000 0.000 0.225 482 S C 1.715 176.256 174.600 -0.099 0.000 0.977 482 S CA 0.659 58.910 58.200 0.085 0.000 0.926 482 S CB -1.240 61.996 63.200 0.060 0.000 0.769 482 S HN 0.286 nan 8.310 nan 0.000 0.533 483 G N 0.444 109.144 108.800 -0.168 0.000 2.176 483 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.232 483 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.232 483 G C 0.192 175.265 174.900 0.288 0.000 0.986 483 G CA -0.137 44.663 45.100 -0.499 0.000 0.643 483 G HN 1.237 nan 8.290 nan 0.000 0.522 484 A N -0.060 122.970 122.820 0.351 0.000 2.340 484 A HA 0.797 5.117 4.320 -0.000 0.000 0.268 484 A C 0.214 177.999 177.584 0.335 0.000 1.100 484 A CA -0.077 52.160 52.037 0.333 0.000 0.803 484 A CB 0.498 19.582 19.000 0.139 0.000 1.043 484 A HN 0.765 nan 8.150 nan 0.000 0.488 485 I N 0.884 121.544 120.570 0.151 0.000 2.530 485 I HA 0.416 4.586 4.170 -0.000 0.000 0.297 485 I C 0.096 176.069 176.117 -0.241 0.000 1.011 485 I CA -0.255 60.911 61.300 -0.224 0.000 1.107 485 I CB 1.930 39.691 38.000 -0.399 0.000 1.285 485 I HN 0.807 nan 8.210 nan 0.000 0.436 486 E N 6.403 126.324 120.200 -0.466 0.000 2.234 486 E HA 0.477 4.827 4.350 -0.000 0.000 0.266 486 E C -1.614 174.474 176.600 -0.853 0.000 0.877 486 E CA -0.678 55.292 56.400 -0.715 0.000 0.758 486 E CB 1.699 31.059 29.700 -0.566 0.000 1.170 486 E HN 0.361 nan 8.360 nan 0.000 0.415 487 I N 4.376 124.271 120.570 -1.125 0.000 2.389 487 I HA 0.453 4.623 4.170 -0.000 0.000 0.288 487 I C 0.104 175.683 176.117 -0.896 0.000 0.999 487 I CA -0.520 60.138 61.300 -1.070 0.000 1.129 487 I CB 1.064 38.133 38.000 -1.551 0.000 1.288 487 I HN 0.540 nan 8.210 nan 0.000 0.444 488 R N 5.338 125.531 120.500 -0.512 0.000 2.807 488 R HA 0.715 5.055 4.340 -0.000 0.000 0.276 488 R C -1.364 174.892 176.300 -0.073 0.000 0.979 488 R CA -0.801 55.071 56.100 -0.380 0.000 0.928 488 R CB 3.245 33.303 30.300 -0.404 0.000 1.191 488 R HN 0.519 nan 8.270 nan 0.000 0.471 489 F N 0.714 120.484 119.950 -0.300 0.000 2.581 489 F HA 0.523 5.050 4.527 0.000 0.000 0.311 489 F C -2.031 173.538 175.800 -0.386 0.000 1.113 489 F CA -1.013 56.874 58.000 -0.189 0.000 0.935 489 F CB 1.077 40.145 39.000 0.113 0.000 1.232 489 F HN 0.350 nan 8.300 nan 0.000 0.445 490 Y N 3.046 123.223 120.300 -0.205 0.000 2.468 490 Y HA 0.795 5.345 4.550 -0.000 0.000 0.342 490 Y C -0.027 175.794 175.900 -0.131 0.000 1.021 490 Y CA -1.248 56.677 58.100 -0.292 0.000 1.079 490 Y CB 2.087 40.416 38.460 -0.219 0.000 1.226 490 Y HN 0.965 nan 8.280 nan 0.000 0.460 491 A N 1.746 124.558 122.820 -0.013 0.000 2.288 491 A HA 0.736 5.056 4.320 -0.000 0.000 0.320 491 A C -0.060 177.450 177.584 -0.124 0.000 1.217 491 A CA -0.263 51.722 52.037 -0.087 0.000 0.840 491 A CB 1.210 20.059 19.000 -0.253 0.000 1.179 491 A HN 0.755 nan 8.150 nan 0.000 0.504 492 T N 0.830 115.284 114.554 -0.167 0.000 2.591 492 T HA 0.807 5.157 4.350 -0.000 0.000 0.274 492 T C 0.537 175.124 174.700 -0.187 0.000 0.945 492 T CA 1.082 63.090 62.100 -0.154 0.000 1.087 492 T CB 0.751 69.534 68.868 -0.142 0.000 1.416 492 T HN 2.662 nan 8.240 nan 0.000 0.514 493 G N -0.015 108.668 108.800 -0.194 0.000 2.508 493 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.220 493 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.220 493 G C -1.157 173.577 174.900 -0.277 0.000 1.287 493 G CA -0.089 44.878 45.100 -0.223 0.000 0.916 493 G HN 0.851 nan 8.290 nan 0.000 0.574 494 Y N 0.798 120.948 120.300 -0.251 0.000 2.310 494 Y HA 0.534 5.084 4.550 -0.000 0.000 0.326 494 Y C 1.592 177.313 175.900 -0.299 0.000 1.151 494 Y CA -0.012 57.928 58.100 -0.266 0.000 1.195 494 Y CB 0.879 39.130 38.460 -0.348 0.000 1.210 494 Y HN 0.681 nan 8.280 nan 0.000 0.483 495 I N -0.068 120.503 120.570 0.003 0.000 2.945 495 I HA 0.384 4.554 4.170 -0.000 0.000 0.292 495 I C 0.271 176.326 176.117 -0.105 0.000 1.093 495 I CA -0.424 60.856 61.300 -0.034 0.000 1.336 495 I CB 1.006 39.007 38.000 0.001 0.000 1.435 495 I HN 0.453 nan 8.210 nan 0.000 0.593 496 S N 2.433 118.065 115.700 -0.114 0.000 2.525 496 S HA 0.617 5.087 4.470 -0.000 0.000 0.278 496 S C -0.245 174.334 174.600 -0.036 0.000 1.234 496 S CA -0.103 58.032 58.200 -0.108 0.000 1.058 496 S CB 0.571 63.649 63.200 -0.203 0.000 0.983 496 S HN 1.007 nan 8.310 nan 0.000 0.495 497 S N 3.161 118.877 115.700 0.026 0.000 2.671 497 S HA 0.942 5.412 4.470 -0.000 0.000 0.299 497 S C -0.512 174.081 174.600 -0.012 0.000 1.116 497 S CA -0.466 57.747 58.200 0.021 0.000 0.912 497 S CB 1.462 64.686 63.200 0.040 0.000 1.130 497 S HN 1.425 nan 8.310 nan 0.000 0.501 498 A N 0.759 123.526 122.820 -0.089 0.000 2.527 498 A HA 0.766 5.086 4.320 -0.000 0.000 0.293 498 A C -1.075 176.498 177.584 -0.019 0.000 1.117 498 A CA -0.811 51.065 52.037 -0.268 0.000 0.723 498 A CB 0.828 19.649 19.000 -0.299 0.000 1.313 498 A HN 1.189 nan 8.150 nan 0.000 0.411 499 F N 0.836 120.779 119.950 -0.012 0.000 2.443 499 F HA 0.515 5.042 4.527 -0.000 0.000 0.353 499 F C -0.154 175.726 175.800 0.134 0.000 1.101 499 F CA -0.583 57.521 58.000 0.174 0.000 1.226 499 F CB 0.669 39.834 39.000 0.275 0.000 1.140 499 F HN 0.469 nan 8.300 nan 0.000 0.557 500 L N 8.975 129.691 121.223 -0.846 0.000 2.290 500 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 500 L C -1.086 175.329 176.870 -0.758 0.000 1.078 500 L CA -0.148 54.305 54.840 -0.645 0.000 0.815 500 L CB 0.063 41.920 42.059 -0.336 0.000 1.162 500 L HN 0.639 nan 8.230 nan 0.000 0.435 506 K N -0.287 119.872 120.400 -0.402 0.000 2.365 506 K HA 0.128 4.448 4.320 -0.000 0.000 0.197 506 K C 0.490 176.668 176.600 -0.704 0.000 1.042 506 K CA 0.758 56.652 56.287 -0.655 0.000 0.987 506 K CB 0.202 32.090 32.500 -1.020 0.000 0.779 506 K HN 0.582 nan 8.250 nan 0.000 0.484 507 Y N -0.432 119.824 120.300 -0.072 0.000 2.641 507 Y HA 0.293 4.843 4.550 0.000 0.000 0.248 507 Y C 0.748 176.608 175.900 -0.066 0.000 1.170 507 Y CA -0.498 57.558 58.100 -0.074 0.000 1.201 507 Y CB 1.647 40.045 38.460 -0.104 0.000 1.232 507 Y HN 0.076 nan 8.280 nan 0.000 0.537 508 G N 0.119 108.928 108.800 0.014 0.000 2.325 508 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.285 508 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.285 508 G C -1.862 173.031 174.900 -0.010 0.000 1.303 508 G CA -1.125 43.980 45.100 0.008 0.000 0.970 508 G HN -0.028 nan 8.290 nan 0.000 0.490 509 N N 0.192 118.892 118.700 -0.001 0.000 2.335 509 N HA 0.432 5.172 4.740 -0.000 0.000 0.304 509 N C -0.601 174.903 175.510 -0.010 0.000 1.135 509 N CA -0.581 52.470 53.050 0.001 0.000 0.817 509 N CB 2.113 40.621 38.487 0.035 0.000 1.294 509 N HN 0.698 nan 8.380 nan 0.000 0.497 510 Q N 1.223 121.015 119.800 -0.014 0.000 2.293 510 Q HA 0.184 4.524 4.340 -0.000 0.000 0.263 510 Q C 0.722 176.721 176.000 -0.002 0.000 1.002 510 Q CA -0.201 55.591 55.803 -0.019 0.000 0.910 510 Q CB 0.720 29.443 28.738 -0.024 0.000 1.185 510 Q HN 0.600 nan 8.270 nan 0.000 0.401 511 V N 0.106 120.017 119.914 -0.006 0.000 3.635 511 V HA 0.284 4.404 4.120 -0.000 0.000 0.266 511 V C 0.251 176.346 176.094 0.002 0.000 1.316 511 V CA 0.750 63.050 62.300 0.001 0.000 1.060 511 V CB 0.372 32.187 31.823 -0.013 0.000 0.820 511 V HN 0.640 nan 8.190 nan 0.000 0.447 512 S N -1.032 114.666 115.700 -0.002 0.000 2.727 512 S HA 0.667 5.137 4.470 -0.000 0.000 0.278 512 S C -0.141 174.460 174.600 0.002 0.000 1.186 512 S CA 0.075 58.280 58.200 0.009 0.000 0.836 512 S CB 0.876 64.077 63.200 0.002 0.000 1.186 512 S HN 1.235 nan 8.310 nan 0.000 0.499 513 E N 0.193 120.396 120.200 0.006 0.000 2.606 513 E HA 0.216 4.566 4.350 -0.000 0.000 0.248 513 E C 0.527 177.080 176.600 -0.079 0.000 1.005 513 E CA 0.529 56.857 56.400 -0.119 0.000 0.946 513 E CB -1.292 28.354 29.700 -0.090 0.000 0.928 513 E HN 1.046 nan 8.360 nan 0.000 0.494 514 H N 0.254 119.377 119.070 0.089 0.000 3.211 514 H HA -0.140 4.416 4.556 -0.000 0.000 0.240 514 H C -0.199 175.126 175.328 -0.005 0.000 1.148 514 H CA 1.418 57.493 56.048 0.045 0.000 1.160 514 H CB -2.362 27.548 29.762 0.246 0.000 1.232 514 H HN 0.665 nan 8.280 nan 0.000 0.321 515 T N 1.346 115.940 114.554 0.067 0.000 2.786 515 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 515 T C 0.421 175.104 174.700 -0.028 0.000 0.992 515 T CA -0.791 61.329 62.100 0.033 0.000 0.954 515 T CB 2.277 71.157 68.868 0.020 0.000 0.934 515 T HN 0.116 nan 8.240 nan 0.000 0.440 516 L N 3.683 124.871 121.223 -0.058 0.000 2.281 516 L HA 0.638 4.978 4.340 -0.000 0.000 0.285 516 L C 0.621 177.465 176.870 -0.043 0.000 1.074 516 L CA 0.028 54.825 54.840 -0.071 0.000 0.817 516 L CB 0.352 42.339 42.059 -0.120 0.000 1.168 516 L HN 0.794 nan 8.230 nan 0.000 0.434 517 G N 3.386 112.169 108.800 -0.029 0.000 2.365 517 G HA2 0.391 4.351 3.960 -0.000 0.000 0.293 517 G HA3 0.391 4.351 3.960 -0.000 0.000 0.293 517 G C -0.079 174.822 174.900 0.002 0.000 1.128 517 G CA -0.102 44.985 45.100 -0.021 0.000 0.971 517 G HN 0.764 nan 8.290 nan 0.000 0.422 518 T N 0.222 114.798 114.554 0.038 0.000 2.832 518 T HA 0.331 4.681 4.350 -0.000 0.000 0.296 518 T C 0.624 175.439 174.700 0.191 0.000 0.968 518 T CA -0.721 61.439 62.100 0.100 0.000 1.107 518 T CB 1.838 70.769 68.868 0.105 0.000 0.916 518 T HN 0.495 nan 8.240 nan 0.000 0.517 519 V N 5.762 125.749 119.914 0.122 0.000 2.872 519 V HA 0.342 4.462 4.120 -0.000 0.000 0.307 519 V C -0.030 176.093 176.094 0.049 0.000 1.072 519 V CA 0.444 62.772 62.300 0.047 0.000 1.148 519 V CB -0.388 31.443 31.823 0.013 0.000 0.954 519 V HN 1.233 nan 8.190 nan 0.000 0.490 520 H N 2.462 121.355 119.070 -0.294 0.000 2.917 520 H HA 0.471 5.027 4.556 -0.000 0.000 0.299 520 H C -1.040 174.043 175.328 -0.408 0.000 1.418 520 H CA -0.287 55.443 56.048 -0.531 0.000 1.138 520 H CB 1.239 30.240 29.762 -1.268 0.000 1.830 520 H HN 0.690 nan 8.280 nan 0.000 0.514 521 T N -0.787 113.508 114.554 -0.432 0.000 2.863 521 T HA 0.425 4.775 4.350 -0.000 0.000 0.285 521 T C -0.680 173.740 174.700 -0.467 0.000 1.009 521 T CA -0.799 61.058 62.100 -0.404 0.000 0.989 521 T CB 1.997 70.721 68.868 -0.240 0.000 1.004 521 T HN 0.630 nan 8.240 nan 0.000 0.455 522 H N 1.321 120.135 119.070 -0.427 0.000 2.472 522 H HA 0.727 5.283 4.556 -0.000 0.000 0.338 522 H C -0.172 175.114 175.328 -0.070 0.000 1.133 522 H CA -0.555 55.356 56.048 -0.229 0.000 1.216 522 H CB 1.972 31.516 29.762 -0.363 0.000 1.497 522 H HN 0.941 nan 8.280 nan 0.000 0.500 523 S N 0.751 116.611 115.700 0.267 0.000 2.547 523 S HA 0.764 5.234 4.470 -0.000 0.000 0.270 523 S C -1.123 173.700 174.600 0.372 0.000 1.150 523 S CA -1.000 57.424 58.200 0.373 0.000 0.850 523 S CB 2.204 65.575 63.200 0.284 0.000 1.118 523 S HN 0.837 nan 8.310 nan 0.000 0.461 524 A N 1.178 124.204 122.820 0.343 0.000 2.515 524 A HA 0.804 5.124 4.320 -0.000 0.000 0.298 524 A C -1.369 176.113 177.584 -0.171 0.000 1.059 524 A CA -0.580 51.393 52.037 -0.108 0.000 0.698 524 A CB 1.385 20.142 19.000 -0.405 0.000 1.289 524 A HN 0.952 nan 8.150 nan 0.000 0.404 525 H N 0.726 119.233 119.070 -0.940 0.000 2.495 525 H HA 0.690 5.246 4.556 -0.000 0.000 0.348 525 H C -1.803 172.972 175.328 -0.922 0.000 1.113 525 H CA -0.451 55.070 56.048 -0.878 0.000 1.195 525 H CB 1.104 29.948 29.762 -1.530 0.000 1.521 525 H HN 0.517 nan 8.280 nan 0.000 0.509 526 F N 2.474 122.133 119.950 -0.485 0.000 2.540 526 F HA 0.269 4.796 4.527 0.000 0.000 0.317 526 F C -0.017 175.513 175.800 -0.450 0.000 1.104 526 F CA -0.874 56.919 58.000 -0.346 0.000 0.913 526 F CB 1.882 40.829 39.000 -0.088 0.000 1.170 526 F HN 0.294 nan 8.300 nan 0.000 0.450 527 K N 2.604 122.869 120.400 -0.226 0.000 2.211 527 K HA 0.677 4.997 4.320 -0.000 0.000 0.275 527 K C -1.569 174.811 176.600 -0.368 0.000 1.024 527 K CA -0.370 55.614 56.287 -0.504 0.000 0.887 527 K CB 1.071 33.277 32.500 -0.489 0.000 1.084 527 K HN 0.542 nan 8.250 nan 0.000 0.463 528 V N 4.399 124.045 119.914 -0.445 0.000 2.340 528 V HA 0.089 4.209 4.120 -0.000 0.000 0.277 528 V C -0.799 175.129 176.094 -0.276 0.000 1.017 528 V CA -0.860 61.276 62.300 -0.273 0.000 0.820 528 V CB 1.097 32.797 31.823 -0.206 0.000 1.028 528 V HN 0.776 nan 8.190 nan 0.000 0.436 529 D N 4.931 125.209 120.400 -0.204 0.000 2.524 529 D HA 0.312 4.952 4.640 -0.000 0.000 0.222 529 D C -0.008 176.267 176.300 -0.042 0.000 1.142 529 D CA -0.128 53.803 54.000 -0.116 0.000 0.973 529 D CB 0.425 41.210 40.800 -0.025 0.000 1.025 529 D HN 0.403 nan 8.370 nan 0.000 0.519 530 L N 2.167 123.355 121.223 -0.058 0.000 2.416 530 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 530 L C 0.216 177.094 176.870 0.013 0.000 1.161 530 L CA 0.218 55.038 54.840 -0.033 0.000 0.845 530 L CB 0.695 42.739 42.059 -0.025 0.000 1.119 530 L HN 0.190 nan 8.230 nan 0.000 0.464 531 D N 2.671 123.095 120.400 0.040 0.000 2.456 531 D HA 0.192 4.832 4.640 -0.000 0.000 0.287 531 D C -0.614 175.760 176.300 0.122 0.000 1.186 531 D CA -0.212 53.836 54.000 0.080 0.000 0.916 531 D CB 1.262 42.123 40.800 0.102 0.000 1.029 531 D HN 0.009 nan 8.370 nan 0.000 0.498 532 V N 1.230 121.240 119.914 0.159 0.000 2.421 532 V HA 0.307 4.427 4.120 -0.000 0.000 0.271 532 V C 1.232 177.536 176.094 0.350 0.000 1.031 532 V CA -0.540 61.920 62.300 0.267 0.000 1.032 532 V CB 0.246 32.274 31.823 0.342 0.000 1.009 532 V HN 0.705 nan 8.190 nan 0.000 0.477 533 A N 3.859 126.933 122.820 0.424 0.000 2.640 533 A HA 0.161 4.481 4.320 -0.000 0.000 0.300 533 A C 1.147 178.893 177.584 0.271 0.000 1.499 533 A CA 1.203 53.438 52.037 0.330 0.000 0.759 533 A CB -1.459 17.712 19.000 0.284 0.000 1.048 533 A HN 2.798 nan 8.150 nan 0.000 0.450 534 G N -2.597 106.335 108.800 0.220 0.000 2.462 534 G HA2 0.152 4.112 3.960 -0.000 0.000 0.685 534 G HA3 0.152 4.112 3.960 -0.000 0.000 0.685 534 G C 0.323 175.303 174.900 0.133 0.000 1.295 534 G CA -0.283 44.922 45.100 0.175 0.000 0.941 534 G HN 1.011 nan 8.290 nan 0.000 0.554 535 L N -0.090 121.185 121.223 0.088 0.000 2.023 535 L HA 0.117 4.457 4.340 -0.000 0.000 0.205 535 L C 1.377 178.250 176.870 0.005 0.000 1.073 535 L CA 1.047 55.907 54.840 0.034 0.000 0.745 535 L CB -0.447 41.612 42.059 -0.000 0.000 0.900 535 L HN 0.547 nan 8.230 nan 0.000 0.435 536 E N 1.769 121.970 120.200 0.001 0.000 2.406 536 E HA 0.107 4.457 4.350 -0.000 0.000 0.258 536 E C -0.862 175.706 176.600 -0.054 0.000 1.043 536 E CA 0.462 56.796 56.400 -0.109 0.000 0.929 536 E CB 0.064 29.724 29.700 -0.067 0.000 0.969 536 E HN 0.258 nan 8.360 nan 0.000 0.462 537 N N 2.031 120.602 118.700 -0.214 0.000 2.321 537 N HA 0.466 5.206 4.740 -0.000 0.000 0.290 537 N C -0.977 174.428 175.510 -0.174 0.000 1.212 537 N CA -0.889 52.184 53.050 0.038 0.000 0.767 537 N CB 1.727 40.270 38.487 0.093 0.000 1.494 537 N HN 0.278 nan 8.380 nan 0.000 0.479 538 W N 0.625 121.935 121.300 0.017 0.000 2.902 538 W HA 0.565 5.225 4.660 0.000 0.000 0.346 538 W C -0.987 175.436 176.519 -0.160 0.000 1.139 538 W CA -0.627 56.647 57.345 -0.119 0.000 1.139 538 W CB 1.658 30.994 29.460 -0.207 0.000 1.439 538 W HN 0.056 nan 8.180 nan 0.000 0.558 539 V N 1.161 121.022 119.914 -0.089 0.000 2.417 539 V HA 0.334 4.454 4.120 -0.000 0.000 0.291 539 V C -1.136 174.749 176.094 -0.350 0.000 1.024 539 V CA -0.438 61.789 62.300 -0.122 0.000 0.861 539 V CB 1.185 32.983 31.823 -0.041 0.000 0.985 539 V HN 0.420 nan 8.190 nan 0.000 0.436 540 W N 2.678 123.801 121.300 -0.295 0.000 2.632 540 W HA 0.768 5.428 4.660 -0.000 0.000 0.328 540 W C -0.068 176.282 176.519 -0.282 0.000 1.044 540 W CA -0.550 56.538 57.345 -0.428 0.000 1.225 540 W CB 2.028 30.849 29.460 -1.064 0.000 1.396 540 W HN 0.629 nan 8.180 nan 0.000 0.499 541 A N 2.858 125.801 122.820 0.205 0.000 2.318 541 A HA 0.728 5.048 4.320 -0.000 0.000 0.317 541 A C -0.834 176.902 177.584 0.254 0.000 1.159 541 A CA -0.636 51.528 52.037 0.211 0.000 0.799 541 A CB 0.860 19.976 19.000 0.194 0.000 1.194 541 A HN 0.675 nan 8.150 nan 0.000 0.479 542 E N 1.441 121.794 120.200 0.255 0.000 2.238 542 E HA 0.537 4.887 4.350 -0.000 0.000 0.267 542 E C -1.291 175.377 176.600 0.115 0.000 0.887 542 E CA -0.706 55.800 56.400 0.176 0.000 0.769 542 E CB 2.399 32.184 29.700 0.141 0.000 1.187 542 E HN 0.715 nan 8.360 nan 0.000 0.416 543 D N 0.912 121.342 120.400 0.051 0.000 2.895 543 D HA 0.393 5.033 4.640 -0.000 0.000 0.320 543 D C -1.197 175.082 176.300 -0.036 0.000 1.249 543 D CA -0.478 53.539 54.000 0.029 0.000 0.997 543 D CB 1.788 42.618 40.800 0.049 0.000 1.430 543 D HN 0.436 nan 8.370 nan 0.000 0.558 544 M N 0.041 119.609 119.600 -0.054 0.000 2.662 544 M HA 0.770 5.250 4.480 -0.000 0.000 0.310 544 M C -1.371 174.846 176.300 -0.138 0.000 1.204 544 M CA -0.800 54.419 55.300 -0.135 0.000 0.891 544 M CB 2.555 35.042 32.600 -0.187 0.000 1.732 544 M HN 0.113 nan 8.290 nan 0.000 0.467 545 V N 1.536 121.314 119.914 -0.226 0.000 3.147 545 V HA 0.626 4.746 4.120 -0.000 0.000 0.299 545 V C -2.134 173.786 176.094 -0.290 0.000 1.302 545 V CA -0.582 61.620 62.300 -0.162 0.000 1.015 545 V CB 2.825 34.623 31.823 -0.042 0.000 1.086 545 V HN 0.900 nan 8.190 nan 0.000 0.437 546 F N 3.722 123.679 119.950 0.011 0.000 2.443 546 F HA 0.770 5.297 4.527 -0.000 0.000 0.335 546 F C -0.011 175.793 175.800 0.006 0.000 1.104 546 F CA -0.699 57.305 58.000 0.007 0.000 1.013 546 F CB 2.190 41.193 39.000 0.006 0.000 1.136 546 F HN 0.253 nan 8.300 nan 0.000 0.470 547 V N 4.340 124.374 119.914 0.201 0.000 2.443 547 V HA 0.341 4.461 4.120 -0.000 0.000 0.293 547 V C -2.329 173.818 176.094 0.089 0.000 1.021 547 V CA -2.193 60.172 62.300 0.109 0.000 0.848 547 V CB 1.770 33.630 31.823 0.063 0.000 0.998 547 V HN 0.494 nan 8.190 nan 0.000 0.424 548 P HA 0.295 nan 4.420 nan 0.000 0.266 548 P C -0.500 176.808 177.300 0.014 0.000 1.195 548 P CA 0.255 63.371 63.100 0.028 0.000 0.768 548 P CB 0.409 32.118 31.700 0.015 0.000 0.838 549 M N 1.202 120.799 119.600 -0.005 0.000 2.426 549 M HA 0.431 4.911 4.480 -0.000 0.000 0.289 549 M C -1.012 175.257 176.300 -0.051 0.000 1.168 549 M CA -0.851 54.436 55.300 -0.022 0.000 0.933 549 M CB 2.393 34.983 32.600 -0.017 0.000 1.750 549 M HN 0.259 nan 8.290 nan 0.000 0.494 550 A N 2.320 125.103 122.820 -0.061 0.000 2.477 550 A HA 0.450 4.770 4.320 -0.000 0.000 0.246 550 A C -0.151 177.337 177.584 -0.160 0.000 1.078 550 A CA -0.338 51.644 52.037 -0.092 0.000 0.770 550 A CB 0.003 18.957 19.000 -0.077 0.000 1.011 550 A HN 0.601 nan 8.150 nan 0.000 0.494 551 V N 5.935 125.702 119.914 -0.244 0.000 2.458 551 V HA 0.023 4.143 4.120 -0.000 0.000 0.287 551 V C -1.270 174.526 176.094 -0.496 0.000 1.009 551 V CA -0.392 61.598 62.300 -0.516 0.000 1.091 551 V CB 0.643 32.040 31.823 -0.711 0.000 0.960 551 V HN 0.831 nan 8.190 nan 0.000 0.476 552 P HA -0.153 nan 4.420 nan 0.000 0.216 552 P C 1.123 178.404 177.300 -0.032 0.000 1.157 552 P CA 1.735 64.763 63.100 -0.120 0.000 0.880 552 P CB 0.013 31.755 31.700 0.069 0.000 0.791 553 W N -1.677 119.638 121.300 0.025 0.000 3.388 553 W HA 0.524 5.184 4.660 -0.000 0.000 0.324 553 W C 0.023 176.566 176.519 0.040 0.000 1.250 553 W CA -0.023 57.337 57.345 0.025 0.000 1.809 553 W CB -0.419 29.052 29.460 0.017 0.000 1.083 553 W HN -0.124 nan 8.180 nan 0.000 0.685 554 S N 0.211 115.761 115.700 -0.250 0.000 2.835 554 S HA 0.203 4.673 4.470 -0.000 0.000 0.140 554 S C -2.184 172.360 174.600 -0.093 0.000 1.131 554 S CA -0.613 57.536 58.200 -0.084 0.000 1.110 554 S CB -0.079 63.125 63.200 0.007 0.000 1.683 554 S HN -0.155 nan 8.310 nan 0.000 0.473 555 P HA 0.064 nan 4.420 nan 0.000 0.228 555 P C 1.522 178.763 177.300 -0.098 0.000 1.151 555 P CA 1.473 64.516 63.100 -0.094 0.000 0.770 555 P CB 0.029 31.691 31.700 -0.064 0.000 0.786 556 E N -0.791 119.336 120.200 -0.122 0.000 2.396 556 E HA -0.182 4.168 4.350 -0.000 0.000 0.200 556 E C 0.276 176.666 176.600 -0.350 0.000 1.023 556 E CA 1.159 57.424 56.400 -0.225 0.000 0.857 556 E CB -1.325 28.212 29.700 -0.271 0.000 0.775 556 E HN 0.488 nan 8.360 nan 0.000 0.525 557 H N -2.401 116.608 119.070 -0.102 0.000 2.670 557 H HA 0.596 5.152 4.556 -0.000 0.000 0.361 557 H C -0.652 174.600 175.328 -0.126 0.000 1.169 557 H CA -0.817 55.167 56.048 -0.108 0.000 1.198 557 H CB 1.857 31.545 29.762 -0.123 0.000 1.700 557 H HN 0.192 nan 8.280 nan 0.000 0.542 558 Q N 2.265 122.102 119.800 0.060 0.000 2.331 558 Q HA 0.370 4.710 4.340 -0.000 0.000 0.267 558 Q C -1.698 174.285 176.000 -0.029 0.000 1.006 558 Q CA -1.013 54.784 55.803 -0.010 0.000 0.818 558 Q CB 1.042 29.776 28.738 -0.007 0.000 1.276 558 Q HN 0.472 nan 8.270 nan 0.000 0.450 559 L N 1.203 122.396 121.223 -0.051 0.000 2.323 559 L HA 0.653 4.993 4.340 -0.000 0.000 0.265 559 L C -1.197 175.668 176.870 -0.009 0.000 1.012 559 L CA -0.780 54.036 54.840 -0.039 0.000 0.820 559 L CB 1.720 43.745 42.059 -0.056 0.000 1.334 559 L HN 0.603 nan 8.230 nan 0.000 0.427 560 Q N 2.178 121.980 119.800 0.003 0.000 2.421 560 Q HA 0.344 4.684 4.340 -0.000 0.000 0.242 560 Q C -0.649 175.476 176.000 0.209 0.000 1.024 560 Q CA -0.242 55.593 55.803 0.054 0.000 0.891 560 Q CB 1.328 29.997 28.738 -0.115 0.000 1.222 560 Q HN 0.579 nan 8.270 nan 0.000 0.483 561 R N 2.811 123.429 120.500 0.197 0.000 2.220 561 R HA 0.191 4.531 4.340 -0.000 0.000 0.340 561 R C -0.758 175.640 176.300 0.164 0.000 1.076 561 R CA -0.566 55.628 56.100 0.157 0.000 0.920 561 R CB -0.217 30.129 30.300 0.077 0.000 1.062 561 R HN 0.416 nan 8.270 nan 0.000 0.469 562 L N 3.841 125.143 121.223 0.132 0.000 2.455 562 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 562 L C -0.736 176.044 176.870 -0.150 0.000 1.174 562 L CA 1.007 55.734 54.840 -0.188 0.000 0.869 562 L CB 0.533 42.470 42.059 -0.203 0.000 1.130 562 L HN 0.741 nan 8.230 nan 0.000 0.474 563 Q N 3.261 122.938 119.800 -0.204 0.000 2.456 563 Q HA 0.562 4.902 4.340 -0.000 0.000 0.283 563 Q C -1.420 174.499 176.000 -0.136 0.000 1.084 563 Q CA -1.152 54.579 55.803 -0.121 0.000 0.801 563 Q CB 2.493 31.191 28.738 -0.067 0.000 1.434 563 Q HN 0.461 nan 8.270 nan 0.000 0.419 564 V N 1.573 121.430 119.914 -0.095 0.000 2.465 564 V HA 0.313 4.433 4.120 -0.000 0.000 0.279 564 V C 0.192 176.263 176.094 -0.038 0.000 1.045 564 V CA -0.409 61.840 62.300 -0.085 0.000 0.938 564 V CB 1.136 32.906 31.823 -0.088 0.000 0.986 564 V HN 0.899 nan 8.190 nan 0.000 0.467 565 T N 3.223 117.765 114.554 -0.020 0.000 2.875 565 T HA 0.713 5.063 4.350 -0.000 0.000 0.284 565 T C -0.412 174.327 174.700 0.065 0.000 0.995 565 T CA -0.822 61.294 62.100 0.026 0.000 1.060 565 T CB 1.514 70.402 68.868 0.033 0.000 0.967 565 T HN 0.729 nan 8.240 nan 0.000 0.476 566 R N 1.323 121.886 120.500 0.104 0.000 2.574 566 R HA 0.605 4.945 4.340 -0.000 0.000 0.288 566 R C -1.471 174.969 176.300 0.233 0.000 1.004 566 R CA -0.805 55.404 56.100 0.182 0.000 0.895 566 R CB 1.554 31.954 30.300 0.166 0.000 1.191 566 R HN 0.798 nan 8.270 nan 0.000 0.444 567 K N 4.179 124.750 120.400 0.285 0.000 2.468 567 K HA 0.334 4.654 4.320 -0.000 0.000 0.252 567 K C -1.649 175.057 176.600 0.176 0.000 0.932 567 K CA -0.902 55.514 56.287 0.215 0.000 0.794 567 K CB 1.599 34.180 32.500 0.135 0.000 1.241 567 K HN 0.421 nan 8.250 nan 0.000 0.428 568 L N 5.252 126.450 121.223 -0.042 0.000 2.290 568 L HA 0.366 4.706 4.340 -0.000 0.000 0.284 568 L C -1.100 175.644 176.870 -0.211 0.000 1.078 568 L CA -0.099 54.470 54.840 -0.453 0.000 0.815 568 L CB 0.760 42.405 42.059 -0.689 0.000 1.162 568 L HN 0.559 nan 8.230 nan 0.000 0.435 569 L N 6.113 127.218 121.223 -0.196 0.000 2.261 569 L HA 0.290 4.630 4.340 -0.000 0.000 0.289 569 L C 0.813 177.623 176.870 -0.099 0.000 1.059 569 L CA -0.152 54.634 54.840 -0.090 0.000 0.816 569 L CB 0.776 42.818 42.059 -0.028 0.000 1.191 569 L HN 0.758 nan 8.230 nan 0.000 0.431 570 E N 2.582 122.739 120.200 -0.072 0.000 2.079 570 E HA 0.121 4.471 4.350 -0.000 0.000 0.191 570 E C 0.179 176.742 176.600 -0.061 0.000 0.961 570 E CA 0.513 56.877 56.400 -0.059 0.000 0.823 570 E CB 0.297 29.975 29.700 -0.037 0.000 0.789 570 E HN 0.474 nan 8.360 nan 0.000 0.459 571 M N 0.934 120.501 119.600 -0.054 0.000 2.423 571 M HA 0.177 4.657 4.480 -0.000 0.000 0.335 571 M C 0.906 177.170 176.300 -0.060 0.000 1.177 571 M CA 0.091 55.359 55.300 -0.053 0.000 1.038 571 M CB 1.213 33.787 32.600 -0.044 0.000 1.641 571 M HN 0.026 nan 8.290 nan 0.000 0.455 572 E N 1.051 121.218 120.200 -0.056 0.000 2.114 572 E HA -0.215 4.135 4.350 -0.000 0.000 0.199 572 E C 1.444 178.001 176.600 -0.072 0.000 1.008 572 E CA 2.157 58.525 56.400 -0.054 0.000 0.810 572 E CB 0.314 29.986 29.700 -0.047 0.000 0.739 572 E HN 0.594 nan 8.360 nan 0.000 0.456 573 E N 0.216 120.374 120.200 -0.070 0.000 2.204 573 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 573 E C 1.864 178.391 176.600 -0.123 0.000 0.989 573 E CA 0.989 57.344 56.400 -0.076 0.000 0.824 573 E CB -0.318 29.352 29.700 -0.050 0.000 0.756 573 E HN 0.467 nan 8.360 nan 0.000 0.477 574 Q N -0.541 119.185 119.800 -0.124 0.000 2.369 574 Q HA 0.142 4.482 4.340 -0.000 0.000 0.206 574 Q C 1.911 177.727 176.000 -0.306 0.000 0.963 574 Q CA 1.029 56.733 55.803 -0.164 0.000 0.894 574 Q CB 0.073 28.761 28.738 -0.083 0.000 0.965 574 Q HN 0.437 nan 8.270 nan 0.000 0.475 575 A N 0.110 122.779 122.820 -0.252 0.000 2.423 575 A HA 0.504 4.824 4.320 -0.000 0.000 0.246 575 A C 0.498 177.899 177.584 -0.306 0.000 1.278 575 A CA -0.080 51.819 52.037 -0.230 0.000 0.903 575 A CB 0.401 19.394 19.000 -0.012 0.000 0.997 575 A HN 0.172 nan 8.150 nan 0.000 0.510 576 A N 0.354 122.932 122.820 -0.403 0.000 2.412 576 A HA 0.668 4.988 4.320 -0.000 0.000 0.334 576 A C -0.904 176.581 177.584 -0.164 0.000 1.419 576 A CA -0.373 51.588 52.037 -0.127 0.000 0.930 576 A CB -0.469 18.524 19.000 -0.011 0.000 1.149 576 A HN 0.265 nan 8.150 nan 0.000 0.515 577 F N 3.123 123.245 119.950 0.288 0.000 2.371 577 F HA 0.382 4.909 4.527 -0.000 0.000 0.363 577 F C 0.206 176.151 175.800 0.243 0.000 1.122 577 F CA -0.710 57.425 58.000 0.225 0.000 1.129 577 F CB 0.925 40.024 39.000 0.164 0.000 1.173 577 F HN 0.298 nan 8.300 nan 0.000 0.489 578 L N 3.279 124.649 121.223 0.244 0.000 2.467 578 L HA 0.156 4.496 4.340 -0.000 0.000 0.270 578 L C 0.236 177.165 176.870 0.098 0.000 1.205 578 L CA -0.126 54.736 54.840 0.036 0.000 0.828 578 L CB 0.321 42.336 42.059 -0.073 0.000 1.101 578 L HN 0.269 nan 8.230 nan 0.000 0.479 579 V N 2.590 122.525 119.914 0.036 0.000 2.585 579 V HA 0.350 4.470 4.120 -0.000 0.000 0.296 579 V C 1.183 177.302 176.094 0.041 0.000 1.035 579 V CA 1.457 63.793 62.300 0.060 0.000 1.084 579 V CB 0.275 32.122 31.823 0.040 0.000 0.953 579 V HN 1.027 nan 8.190 nan 0.000 0.483 580 G N 4.122 112.956 108.800 0.056 0.000 2.284 580 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.230 580 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.230 580 G C 0.536 175.471 174.900 0.058 0.000 1.021 580 G CA 0.147 45.274 45.100 0.045 0.000 0.619 580 G HN 0.741 nan 8.290 nan 0.000 0.510 581 S N 1.230 116.981 115.700 0.085 0.000 2.573 581 S HA 0.535 5.005 4.470 -0.000 0.000 0.277 581 S C 0.897 175.559 174.600 0.104 0.000 1.346 581 S CA 0.263 58.531 58.200 0.114 0.000 1.034 581 S CB 1.205 64.518 63.200 0.187 0.000 0.879 581 S HN 1.624 nan 8.310 nan 0.000 0.528 582 A N 2.024 124.903 122.820 0.098 0.000 2.462 582 A HA 0.488 4.808 4.320 -0.000 0.000 0.243 582 A C 0.463 178.083 177.584 0.061 0.000 1.076 582 A CA -0.126 51.953 52.037 0.069 0.000 0.773 582 A CB 0.162 nan 19.000 nan 0.000 1.010 582 A HN 0.668 nan 8.150 nan 0.000 0.493 583 T N 2.866 117.397 114.554 -0.038 0.000 2.861 583 T HA 0.612 4.962 4.350 -0.000 0.000 0.287 583 T C -2.821 171.775 174.700 -0.173 0.000 1.003 583 T CA -1.631 60.329 62.100 -0.234 0.000 0.977 583 T CB 0.771 69.473 68.868 -0.277 0.000 0.996 583 T HN 0.457 nan 8.240 nan 0.000 0.448 584 P HA 0.223 nan 4.420 nan 0.000 0.264 584 P C 0.643 177.919 177.300 -0.041 0.000 1.183 584 P CA -0.071 62.995 63.100 -0.057 0.000 0.763 584 P CB 0.493 32.182 31.700 -0.019 0.000 0.807 585 R N 1.271 121.794 120.500 0.038 0.000 2.148 585 R HA -0.053 4.287 4.340 -0.000 0.000 0.227 585 R C 0.017 176.347 176.300 0.050 0.000 1.103 585 R CA 1.214 57.345 56.100 0.052 0.000 0.983 585 R CB -0.071 30.300 30.300 0.119 0.000 0.874 585 R HN 0.501 nan 8.270 nan 0.000 0.451 586 Y N -0.223 120.048 120.300 -0.049 0.000 2.326 586 Y HA 0.387 4.937 4.550 -0.000 0.000 0.331 586 Y C -0.821 175.107 175.900 0.046 0.000 0.962 586 Y CA -0.790 57.273 58.100 -0.061 0.000 1.167 586 Y CB 1.616 39.996 38.460 -0.134 0.000 1.148 586 Y HN -0.106 nan 8.280 nan 0.000 0.463 587 L N 6.636 127.941 121.223 0.137 0.000 2.409 587 L HA 0.700 5.040 4.340 -0.000 0.000 0.272 587 L C -1.713 175.319 176.870 0.270 0.000 0.980 587 L CA -0.680 54.264 54.840 0.174 0.000 0.826 587 L CB 1.293 43.381 42.059 0.048 0.000 1.268 587 L HN 0.628 nan 8.230 nan 0.000 0.407 588 Y N 2.877 123.271 120.300 0.157 0.000 2.597 588 Y HA 0.746 5.296 4.550 -0.000 0.000 0.340 588 Y C -1.960 174.118 175.900 0.296 0.000 1.097 588 Y CA -1.480 56.735 58.100 0.191 0.000 1.037 588 Y CB 1.121 39.675 38.460 0.158 0.000 1.305 588 Y HN 0.331 nan 8.280 nan 0.000 0.463 589 L N 3.005 124.459 121.223 0.385 0.000 2.309 589 L HA 0.915 5.255 4.340 -0.000 0.000 0.282 589 L C -0.151 177.012 176.870 0.488 0.000 1.036 589 L CA -0.432 54.605 54.840 0.328 0.000 0.806 589 L CB 1.542 43.737 42.059 0.227 0.000 1.220 589 L HN 0.962 nan 8.230 nan 0.000 0.429 590 A N 1.621 124.755 122.820 0.524 0.000 2.556 590 A HA 0.786 5.106 4.320 -0.000 0.000 0.294 590 A C -0.641 177.268 177.584 0.543 0.000 1.091 590 A CA -0.497 51.893 52.037 0.589 0.000 0.704 590 A CB 1.788 21.227 19.000 0.732 0.000 1.300 590 A HN 0.537 nan 8.150 nan 0.000 0.406 591 S N -0.112 115.856 115.700 0.447 0.000 2.632 591 S HA 0.170 4.640 4.470 -0.000 0.000 0.267 591 S C 1.168 175.901 174.600 0.223 0.000 1.276 591 S CA -0.118 58.307 58.200 0.375 0.000 0.998 591 S CB 0.664 64.034 63.200 0.283 0.000 0.953 591 S HN 0.737 nan 8.310 nan 0.000 0.547 592 N N 1.376 120.121 118.700 0.075 0.000 2.094 592 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 592 N C 0.286 175.663 175.510 -0.222 0.000 1.023 592 N CA 1.367 54.236 53.050 -0.301 0.000 0.857 592 N CB -0.630 37.666 38.487 -0.319 0.000 1.013 592 N HN 0.652 nan 8.380 nan 0.000 0.426 593 H N -0.809 118.297 119.070 0.060 0.000 2.547 593 H HA 0.316 4.872 4.556 -0.000 0.000 0.362 593 H C 0.143 175.469 175.328 -0.003 0.000 1.181 593 H CA -0.110 55.945 56.048 0.013 0.000 1.376 593 H CB 0.861 30.629 29.762 0.010 0.000 1.488 593 H HN -0.030 nan 8.280 nan 0.000 0.583 594 S N 1.173 116.928 115.700 0.092 0.000 2.704 594 S HA 0.196 4.666 4.470 -0.000 0.000 0.305 594 S C 0.558 175.123 174.600 -0.058 0.000 1.107 594 S CA -1.051 57.153 58.200 0.005 0.000 0.993 594 S CB 1.337 64.515 63.200 -0.037 0.000 1.110 594 S HN 0.755 nan 8.310 nan 0.000 0.534 595 N N 0.933 119.584 118.700 -0.083 0.000 2.418 595 N HA 0.192 4.932 4.740 -0.000 0.000 0.283 595 N C 0.691 176.022 175.510 -0.299 0.000 1.267 595 N CA -0.595 52.349 53.050 -0.175 0.000 0.975 595 N CB 0.086 38.499 38.487 -0.124 0.000 1.167 595 N HN 0.581 nan 8.380 nan 0.000 0.581 596 K N -0.760 119.307 120.400 -0.555 0.000 2.160 596 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 596 K C 0.464 176.568 176.600 -0.825 0.000 1.047 596 K CA 1.465 57.234 56.287 -0.863 0.000 0.930 596 K CB -0.177 31.492 32.500 -1.385 0.000 0.720 596 K HN 0.672 nan 8.250 nan 0.000 0.450 597 W N -0.006 121.275 121.300 -0.033 0.000 3.325 597 W HA 0.306 4.965 4.660 0.000 0.000 0.370 597 W C 0.884 177.322 176.519 -0.135 0.000 1.169 597 W CA -0.122 57.197 57.345 -0.044 0.000 1.874 597 W CB 0.292 29.762 29.460 0.016 0.000 1.076 597 W HN 0.215 nan 8.180 nan 0.000 0.684 598 G N 0.456 109.217 108.800 -0.065 0.000 2.143 598 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.249 598 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.249 598 G C -0.000 174.729 174.900 -0.284 0.000 0.981 598 G CA -0.308 44.690 45.100 -0.170 0.000 0.665 598 G HN 0.432 nan 8.290 nan 0.000 0.528 599 H N 0.562 119.609 119.070 -0.038 0.000 2.458 599 H HA 0.363 4.919 4.556 -0.000 0.000 0.330 599 H C -2.300 172.987 175.328 -0.067 0.000 1.111 599 H CA -1.818 54.180 56.048 -0.083 0.000 1.245 599 H CB 1.565 31.252 29.762 -0.124 0.000 1.456 599 H HN 0.062 nan 8.280 nan 0.000 0.488 600 P HA -0.004 nan 4.420 nan 0.000 0.264 600 P C -0.076 177.318 177.300 0.157 0.000 1.183 600 P CA 0.256 63.416 63.100 0.100 0.000 0.763 600 P CB 0.566 32.341 31.700 0.124 0.000 0.807 601 R N 2.238 122.843 120.500 0.174 0.000 2.296 601 R HA 0.495 4.835 4.340 -0.000 0.000 0.323 601 R C 0.760 177.306 176.300 0.410 0.000 1.067 601 R CA -0.010 56.208 56.100 0.197 0.000 0.946 601 R CB 0.375 30.712 30.300 0.061 0.000 0.991 601 R HN 0.589 nan 8.270 nan 0.000 0.448 602 G N 1.991 111.037 108.800 0.410 0.000 2.519 602 G HA2 0.489 4.449 3.960 -0.000 0.000 0.307 602 G HA3 0.489 4.449 3.960 -0.000 0.000 0.307 602 G C -1.787 173.333 174.900 0.366 0.000 1.266 602 G CA -0.353 45.049 45.100 0.504 0.000 0.970 602 G HN 0.406 nan 8.290 nan 0.000 0.481 603 Y N -0.010 120.459 120.300 0.282 0.000 2.462 603 Y HA 0.622 5.172 4.550 0.000 0.000 0.346 603 Y C 0.336 176.364 175.900 0.213 0.000 0.976 603 Y CA -0.849 57.335 58.100 0.141 0.000 1.044 603 Y CB 2.481 40.942 38.460 0.002 0.000 1.230 603 Y HN 0.540 nan 8.280 nan 0.000 0.455 604 R N 4.746 125.379 120.500 0.222 0.000 2.562 604 R HA 0.625 4.965 4.340 -0.000 0.000 0.298 604 R C -1.647 174.736 176.300 0.138 0.000 0.961 604 R CA -0.581 55.614 56.100 0.158 0.000 0.881 604 R CB 0.955 31.219 30.300 -0.060 0.000 1.159 604 R HN 0.776 nan 8.270 nan 0.000 0.450 605 I N 3.704 124.345 120.570 0.118 0.000 2.331 605 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 605 I C -0.041 176.103 176.117 0.045 0.000 0.998 605 I CA -0.253 61.107 61.300 0.099 0.000 1.267 605 I CB 1.606 39.631 38.000 0.042 0.000 1.386 605 I HN 0.482 nan 8.210 nan 0.000 0.476 606 Q N 7.471 127.332 119.800 0.101 0.000 2.321 606 Q HA 0.529 4.869 4.340 -0.000 0.000 0.270 606 Q C -1.452 174.646 176.000 0.164 0.000 1.032 606 Q CA -0.757 55.080 55.803 0.056 0.000 0.784 606 Q CB 1.996 30.733 28.738 -0.002 0.000 1.264 606 Q HN 0.623 nan 8.270 nan 0.000 0.448 607 M N 3.770 123.429 119.600 0.098 0.000 2.149 607 M HA 0.412 4.891 4.480 -0.000 0.000 0.342 607 M C -0.393 175.971 176.300 0.106 0.000 1.068 607 M CA -0.368 55.009 55.300 0.129 0.000 0.991 607 M CB 1.375 34.020 32.600 0.076 0.000 1.596 607 M HN 0.618 nan 8.290 nan 0.000 0.439 608 L N 2.844 124.133 121.223 0.111 0.000 2.315 608 L HA 0.685 5.025 4.340 -0.000 0.000 0.278 608 L C -0.019 176.874 176.870 0.038 0.000 1.088 608 L CA -0.119 54.751 54.840 0.051 0.000 0.899 608 L CB 0.123 42.191 42.059 0.015 0.000 1.277 608 L HN 0.800 nan 8.230 nan 0.000 0.431 609 S N 1.406 117.141 115.700 0.057 0.000 2.546 609 S HA 0.798 5.268 4.470 -0.000 0.000 0.272 609 S C -0.256 174.391 174.600 0.078 0.000 1.140 609 S CA 0.418 58.673 58.200 0.091 0.000 0.920 609 S CB 1.259 64.551 63.200 0.153 0.000 1.083 609 S HN 1.701 nan 8.310 nan 0.000 0.476 610 F N 1.501 121.509 119.950 0.096 0.000 2.837 610 F HA 0.785 5.312 4.527 -0.000 0.000 0.298 610 F C 0.933 176.815 175.800 0.137 0.000 1.161 610 F CA -0.520 57.536 58.000 0.093 0.000 1.353 610 F CB -1.174 37.861 39.000 0.058 0.000 0.951 610 F HN 1.087 nan 8.300 nan 0.000 0.508 611 A N 1.245 124.150 122.820 0.141 0.000 2.584 611 A HA 0.431 4.751 4.320 -0.000 0.000 0.239 611 A C 1.278 178.916 177.584 0.091 0.000 1.043 611 A CA 0.552 52.674 52.037 0.142 0.000 0.756 611 A CB -0.601 18.485 19.000 0.144 0.000 0.963 611 A HN 1.701 nan 8.150 nan 0.000 0.511 612 G N 1.170 110.009 108.800 0.065 0.000 2.606 612 G HA2 0.425 4.385 3.960 -0.000 0.000 0.252 612 G HA3 0.425 4.385 3.960 -0.000 0.000 0.252 612 G C 0.129 175.030 174.900 0.002 0.000 1.206 612 G CA -0.119 44.992 45.100 0.017 0.000 0.861 612 G HN 1.001 nan 8.290 nan 0.000 0.561 613 E N 1.159 121.353 120.200 -0.011 0.000 2.415 613 E HA 0.195 4.545 4.350 -0.000 0.000 0.263 613 E C -1.688 174.891 176.600 -0.035 0.000 0.995 613 E CA -1.062 55.327 56.400 -0.018 0.000 0.915 613 E CB 0.537 30.226 29.700 -0.017 0.000 0.951 613 E HN 0.239 nan 8.360 nan 0.000 0.449 614 P HA 0.099 nan 4.420 nan 0.000 0.276 614 P C -0.646 176.631 177.300 -0.039 0.000 1.244 614 P CA -0.689 62.377 63.100 -0.056 0.000 0.801 614 P CB 0.653 32.309 31.700 -0.072 0.000 1.006 615 L N 3.735 124.948 121.223 -0.016 0.000 2.578 615 L HA 0.102 4.442 4.340 -0.000 0.000 0.279 615 L C -2.056 174.805 176.870 -0.015 0.000 1.227 615 L CA -0.847 54.003 54.840 0.017 0.000 0.900 615 L CB -1.027 41.108 42.059 0.127 0.000 1.144 615 L HN 0.307 nan 8.230 nan 0.000 0.496 616 P HA 0.023 nan 4.420 nan 0.000 0.267 616 P C -0.055 177.215 177.300 -0.051 0.000 1.200 616 P CA -0.037 63.044 63.100 -0.033 0.000 0.772 616 P CB 0.448 32.136 31.700 -0.019 0.000 0.855 617 Q N 1.310 121.072 119.800 -0.063 0.000 2.124 617 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 617 Q C 1.463 177.432 176.000 -0.053 0.000 0.977 617 Q CA 1.305 57.063 55.803 -0.074 0.000 0.850 617 Q CB -0.474 28.221 28.738 -0.070 0.000 0.901 617 Q HN 0.456 nan 8.270 nan 0.000 0.429 618 N N 0.817 119.496 118.700 -0.035 0.000 2.242 618 N HA -0.136 4.604 4.740 -0.000 0.000 0.193 618 N C 0.403 175.906 175.510 -0.010 0.000 1.000 618 N CA 0.881 53.920 53.050 -0.019 0.000 0.885 618 N CB -0.165 38.315 38.487 -0.012 0.000 0.988 618 N HN 0.041 nan 8.380 nan 0.000 0.444 619 S N -0.726 114.965 115.700 -0.016 0.000 2.505 619 S HA 0.162 4.632 4.470 -0.000 0.000 0.276 619 S C 1.356 175.948 174.600 -0.014 0.000 1.274 619 S CA -0.232 57.968 58.200 0.001 0.000 1.053 619 S CB 0.616 63.815 63.200 -0.002 0.000 0.919 619 S HN 0.370 nan 8.310 nan 0.000 0.490 620 S N 5.582 121.314 115.700 0.055 0.000 2.419 620 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 620 S C 1.818 176.431 174.600 0.022 0.000 1.016 620 S CA 1.097 59.355 58.200 0.097 0.000 0.974 620 S CB -0.511 62.833 63.200 0.241 0.000 0.786 620 S HN 0.828 nan 8.310 nan 0.000 0.492 621 M N 1.495 121.059 119.600 -0.060 0.000 2.296 621 M HA 0.007 4.487 4.480 -0.000 0.000 0.265 621 M C 2.301 178.226 176.300 -0.625 0.000 1.064 621 M CA 1.293 56.356 55.300 -0.395 0.000 1.109 621 M CB -0.483 31.977 32.600 -0.233 0.000 1.396 621 M HN 0.510 nan 8.290 nan 0.000 0.430 622 A N 0.804 123.318 122.820 -0.510 0.000 1.978 622 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 622 A C 2.273 179.376 177.584 -0.801 0.000 1.170 622 A CA 2.199 53.787 52.037 -0.747 0.000 0.636 622 A CB -1.175 17.619 19.000 -0.343 0.000 0.810 622 A HN 0.627 nan 8.150 nan 0.000 0.448 623 R N -0.509 119.704 120.500 -0.479 0.000 2.200 623 R HA -0.023 4.317 4.340 -0.000 0.000 0.234 623 R C 2.237 178.306 176.300 -0.385 0.000 1.127 623 R CA 1.923 57.822 56.100 -0.335 0.000 0.989 623 R CB -1.964 28.225 30.300 -0.186 0.000 0.869 623 R HN 0.767 nan 8.270 nan 0.000 0.459 624 G N -0.344 108.104 108.800 -0.587 0.000 2.679 624 G HA2 0.196 4.156 3.960 -0.000 0.000 0.212 624 G HA3 0.196 4.156 3.960 -0.000 0.000 0.212 624 G C 0.502 175.246 174.900 -0.259 0.000 1.137 624 G CA 0.753 45.611 45.100 -0.403 0.000 0.787 624 G HN 0.858 nan 8.290 nan 0.000 0.534 625 F N -0.869 118.935 119.950 -0.244 0.000 2.514 625 F HA 0.337 4.863 4.527 -0.000 0.000 0.374 625 F C 1.084 176.463 175.800 -0.702 0.000 1.532 625 F CA -0.840 56.855 58.000 -0.509 0.000 1.082 625 F CB -0.338 38.293 39.000 -0.615 0.000 1.610 625 F HN -0.031 nan 8.300 nan 0.000 0.531 626 S N -0.195 115.320 115.700 -0.308 0.000 2.474 626 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 626 S C 1.679 176.315 174.600 0.060 0.000 0.997 626 S CA 0.648 58.763 58.200 -0.143 0.000 0.949 626 S CB -0.803 62.379 63.200 -0.031 0.000 0.766 626 S HN 0.787 nan 8.310 nan 0.000 0.517 627 W N 2.048 123.363 121.300 0.024 0.000 2.341 627 W HA -0.059 4.601 4.660 -0.000 0.000 0.283 627 W C 1.522 178.007 176.519 -0.056 0.000 1.215 627 W CA 0.980 58.180 57.345 -0.242 0.000 1.211 627 W CB -0.920 27.711 29.460 -1.382 0.000 1.131 627 W HN 0.397 nan 8.180 nan 0.000 0.552 628 E N 1.308 121.168 120.200 -0.567 0.000 2.171 628 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 628 E C 2.152 178.702 176.600 -0.083 0.000 0.997 628 E CA 1.653 57.815 56.400 -0.397 0.000 0.810 628 E CB -0.147 29.229 29.700 -0.539 0.000 0.738 628 E HN 0.398 nan 8.360 nan 0.000 0.467 629 R N -0.904 119.538 120.500 -0.097 0.000 2.189 629 R HA -0.045 4.295 4.340 -0.000 0.000 0.218 629 R C 0.221 176.363 176.300 -0.263 0.000 1.074 629 R CA 0.490 56.455 56.100 -0.226 0.000 0.991 629 R CB 0.027 30.087 30.300 -0.400 0.000 0.883 629 R HN 0.114 nan 8.270 nan 0.000 0.457 630 Y N 0.289 120.679 120.300 0.151 0.000 2.419 630 Y HA 0.146 4.696 4.550 -0.000 0.000 0.328 630 Y C 1.457 177.505 175.900 0.247 0.000 1.162 630 Y CA -0.735 57.499 58.100 0.223 0.000 1.174 630 Y CB 1.220 39.867 38.460 0.311 0.000 1.228 630 Y HN -0.173 nan 8.280 nan 0.000 0.473 631 Q N 1.033 121.075 119.800 0.403 0.000 2.204 631 Q HA 0.167 4.507 4.340 -0.000 0.000 0.198 631 Q C -0.668 175.525 176.000 0.321 0.000 0.946 631 Q CA 0.556 56.546 55.803 0.311 0.000 0.859 631 Q CB 0.648 29.523 28.738 0.229 0.000 0.946 631 Q HN 0.521 nan 8.270 nan 0.000 0.474 632 L N -1.206 120.259 121.223 0.403 0.000 2.556 632 L HA 0.731 5.071 4.340 -0.000 0.000 0.257 632 L C -2.283 174.849 176.870 0.436 0.000 0.955 632 L CA -0.666 54.387 54.840 0.355 0.000 0.850 632 L CB 2.251 44.473 42.059 0.272 0.000 1.398 632 L HN -0.068 nan 8.230 nan 0.000 0.412 633 A N 3.414 126.463 122.820 0.382 0.000 2.517 633 A HA 0.785 5.105 4.320 -0.000 0.000 0.297 633 A C -1.861 175.941 177.584 0.363 0.000 1.050 633 A CA -0.502 51.726 52.037 0.319 0.000 0.694 633 A CB 1.815 20.951 19.000 0.226 0.000 1.277 633 A HN 0.671 nan 8.150 nan 0.000 0.400 634 V N 2.356 122.413 119.914 0.238 0.000 2.417 634 V HA 0.794 4.914 4.120 -0.000 0.000 0.291 634 V C 0.367 176.567 176.094 0.176 0.000 1.024 634 V CA 0.143 62.562 62.300 0.198 0.000 0.861 634 V CB 1.552 33.441 31.823 0.111 0.000 0.985 634 V HN 1.213 nan 8.190 nan 0.000 0.436 635 T N 1.333 116.029 114.554 0.237 0.000 2.901 635 T HA 0.535 4.885 4.350 -0.000 0.000 0.293 635 T C -0.587 174.179 174.700 0.110 0.000 1.084 635 T CA -0.904 61.306 62.100 0.183 0.000 1.008 635 T CB 1.662 70.715 68.868 0.308 0.000 1.170 635 T HN 0.508 nan 8.240 nan 0.000 0.509 636 Q N 1.076 120.898 119.800 0.038 0.000 2.286 636 Q HA 0.118 4.458 4.340 -0.000 0.000 0.290 636 Q C 0.288 176.300 176.000 0.020 0.000 1.049 636 Q CA 0.031 55.828 55.803 -0.009 0.000 0.923 636 Q CB 0.744 29.456 28.738 -0.043 0.000 1.183 636 Q HN 0.411 nan 8.270 nan 0.000 0.383 637 R N 2.737 123.234 120.500 -0.006 0.000 2.438 637 R HA 0.159 4.498 4.340 -0.000 0.000 0.287 637 R C -0.835 175.450 176.300 -0.025 0.000 1.077 637 R CA 0.363 56.464 56.100 0.000 0.000 1.034 637 R CB 0.498 30.777 30.300 -0.035 0.000 0.993 637 R HN 0.505 nan 8.270 nan 0.000 0.459 638 K N 2.901 123.288 120.400 -0.021 0.000 2.525 638 K HA 0.118 4.438 4.320 -0.000 0.000 0.254 638 K C 0.060 176.644 176.600 -0.027 0.000 0.934 638 K CA -0.877 55.382 56.287 -0.047 0.000 0.802 638 K CB 1.978 34.423 32.500 -0.093 0.000 1.295 638 K HN 0.485 nan 8.250 nan 0.000 0.433 639 E N 1.774 121.964 120.200 -0.016 0.000 2.085 639 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 639 E C 1.278 177.885 176.600 0.011 0.000 0.994 639 E CA 1.458 57.866 56.400 0.012 0.000 0.801 639 E CB 0.280 29.986 29.700 0.010 0.000 0.743 639 E HN 0.650 nan 8.360 nan 0.000 0.453 640 E N 0.967 121.153 120.200 -0.024 0.000 2.516 640 E HA -0.110 4.240 4.350 -0.000 0.000 0.199 640 E C -0.054 176.501 176.600 -0.074 0.000 1.069 640 E CA 0.453 56.834 56.400 -0.032 0.000 0.876 640 E CB -0.154 29.522 29.700 -0.040 0.000 0.843 640 E HN 0.215 nan 8.360 nan 0.000 0.530 641 E N 1.517 121.642 120.200 -0.125 0.000 3.896 641 E HA 0.146 4.496 4.350 -0.000 0.000 0.217 641 E C -1.929 174.695 176.600 0.040 0.000 1.150 641 E CA -1.418 54.805 56.400 -0.296 0.000 1.338 641 E CB 1.113 30.337 29.700 -0.793 0.000 1.242 641 E HN 0.150 nan 8.360 nan 0.000 0.435 642 P HA 0.032 nan 4.420 nan 0.000 0.231 642 P C -0.027 177.515 177.300 0.405 0.000 1.168 642 P CA 0.428 63.689 63.100 0.269 0.000 0.779 642 P CB 0.643 32.475 31.700 0.219 0.000 0.844 643 S N -1.164 114.822 115.700 0.476 0.000 2.537 643 S HA 0.259 4.729 4.470 -0.000 0.000 0.270 643 S C 0.695 175.565 174.600 0.450 0.000 1.142 643 S CA -0.340 58.142 58.200 0.471 0.000 0.870 643 S CB 1.728 65.111 63.200 0.305 0.000 1.112 643 S HN 0.032 nan 8.310 nan 0.000 0.466 644 S N 0.397 116.243 115.700 0.244 0.000 2.496 644 S HA 0.221 4.691 4.470 -0.000 0.000 0.224 644 S C 0.842 175.434 174.600 -0.014 0.000 0.996 644 S CA 0.219 58.378 58.200 -0.070 0.000 0.927 644 S CB 0.113 63.107 63.200 -0.344 0.000 0.774 644 S HN 0.472 nan 8.310 nan 0.000 0.524 645 S N -0.158 115.578 115.700 0.060 0.000 2.851 645 S HA 0.786 5.256 4.470 -0.000 0.000 0.317 645 S C -1.237 173.434 174.600 0.118 0.000 1.144 645 S CA -0.353 57.906 58.200 0.098 0.000 0.862 645 S CB 1.889 65.132 63.200 0.072 0.000 1.259 645 S HN 0.422 nan 8.310 nan 0.000 0.564 646 S N -0.195 115.557 115.700 0.087 0.000 2.537 646 S HA 0.370 4.840 4.470 -0.000 0.000 0.271 646 S C 0.306 174.850 174.600 -0.093 0.000 1.148 646 S CA -0.166 58.052 58.200 0.030 0.000 0.868 646 S CB 1.221 64.477 63.200 0.092 0.000 1.115 646 S HN 0.862 nan 8.310 nan 0.000 0.461 647 V N 3.909 123.619 119.914 -0.341 0.000 2.867 647 V HA 0.043 4.163 4.120 -0.000 0.000 0.260 647 V C 0.868 176.660 176.094 -0.502 0.000 1.099 647 V CA 1.816 63.801 62.300 -0.525 0.000 1.122 647 V CB -0.858 30.345 31.823 -1.033 0.000 0.708 647 V HN 0.793 nan 8.190 nan 0.000 0.490 648 F N 0.153 120.036 119.950 -0.112 0.000 2.765 648 F HA 0.255 4.782 4.527 -0.000 0.000 0.302 648 F C 1.775 177.519 175.800 -0.093 0.000 1.111 648 F CA 0.145 58.063 58.000 -0.137 0.000 1.359 648 F CB -0.791 38.103 39.000 -0.177 0.000 1.097 648 F HN 0.243 nan 8.300 nan 0.000 0.577 649 N N 0.073 118.815 118.700 0.070 0.000 2.290 649 N HA -0.121 4.619 4.740 -0.000 0.000 0.179 649 N C 1.900 177.428 175.510 0.031 0.000 1.016 649 N CA 0.577 53.659 53.050 0.053 0.000 0.871 649 N CB -0.311 38.224 38.487 0.079 0.000 0.987 649 N HN 0.150 nan 8.380 nan 0.000 0.431 650 Q N 1.020 120.852 119.800 0.053 0.000 2.133 650 Q HA -0.097 4.243 4.340 -0.000 0.000 0.208 650 Q C 0.946 176.958 176.000 0.020 0.000 0.991 650 Q CA 1.734 57.577 55.803 0.067 0.000 0.867 650 Q CB -0.209 28.589 28.738 0.099 0.000 0.911 650 Q HN 0.268 nan 8.270 nan 0.000 0.417 651 N N -0.354 118.359 118.700 0.022 0.000 2.405 651 N HA 0.008 4.748 4.740 -0.000 0.000 0.175 651 N C -0.560 175.026 175.510 0.126 0.000 1.051 651 N CA 0.757 53.841 53.050 0.057 0.000 0.899 651 N CB 0.446 38.952 38.487 0.031 0.000 1.000 651 N HN 0.198 nan 8.380 nan 0.000 0.451 652 D N -0.272 120.173 120.400 0.075 0.000 2.621 652 D HA 0.189 4.829 4.640 -0.000 0.000 0.274 652 D C -2.084 174.200 176.300 -0.025 0.000 1.215 652 D CA -1.639 52.462 54.000 0.168 0.000 0.810 652 D CB 1.177 42.142 40.800 0.274 0.000 1.248 652 D HN 0.001 nan 8.370 nan 0.000 0.517 653 P HA -0.007 nan 4.420 nan 0.000 0.231 653 P C 1.376 178.447 177.300 -0.382 0.000 1.168 653 P CA 0.301 63.154 63.100 -0.411 0.000 0.779 653 P CB 0.105 31.453 31.700 -0.587 0.000 0.844 654 W N 0.913 122.200 121.300 -0.023 0.000 2.436 654 W HA 0.198 4.858 4.660 -0.000 0.000 0.284 654 W C 0.976 177.479 176.519 -0.028 0.000 1.225 654 W CA 0.609 57.931 57.345 -0.038 0.000 1.271 654 W CB -0.656 28.788 29.460 -0.026 0.000 1.114 654 W HN -0.014 nan 8.180 nan 0.000 0.559 655 A N 1.688 124.642 122.820 0.223 0.000 3.165 655 A HA 0.355 4.675 4.320 -0.000 0.000 0.331 655 A C -2.324 175.298 177.584 0.064 0.000 1.034 655 A CA -1.155 50.961 52.037 0.131 0.000 0.906 655 A CB -0.443 18.654 19.000 0.161 0.000 1.054 655 A HN -0.251 nan 8.150 nan 0.000 0.484 656 P HA 0.043 nan 4.420 nan 0.000 0.265 656 P C 0.786 178.093 177.300 0.011 0.000 1.193 656 P CA 0.515 63.610 63.100 -0.009 0.000 0.765 656 P CB 0.964 32.637 31.700 -0.046 0.000 0.823 657 T N 1.193 115.755 114.554 0.013 0.000 2.770 657 T HA 0.017 4.367 4.350 -0.000 0.000 0.263 657 T C 0.910 175.641 174.700 0.052 0.000 1.039 657 T CA 0.990 63.079 62.100 -0.018 0.000 1.142 657 T CB 0.003 68.849 68.868 -0.037 0.000 0.868 657 T HN 0.236 nan 8.240 nan 0.000 0.435 658 V N 2.095 122.062 119.914 0.087 0.000 2.495 658 V HA 0.490 4.610 4.120 -0.000 0.000 0.298 658 V C -1.017 175.107 176.094 0.049 0.000 1.031 658 V CA -1.084 61.292 62.300 0.128 0.000 0.871 658 V CB 1.848 33.779 31.823 0.180 0.000 0.988 658 V HN 0.220 nan 8.190 nan 0.000 0.432 659 D N 2.767 123.170 120.400 0.005 0.000 2.454 659 D HA 0.244 4.884 4.640 -0.000 0.000 0.247 659 D C 0.426 176.581 176.300 -0.243 0.000 1.129 659 D CA -0.603 53.353 54.000 -0.073 0.000 0.877 659 D CB 1.095 41.864 40.800 -0.053 0.000 1.082 659 D HN 0.308 nan 8.370 nan 0.000 0.537 660 F N 3.567 123.251 119.950 -0.444 0.000 2.120 660 F HA -0.230 4.297 4.527 -0.000 0.000 0.300 660 F C 2.298 177.704 175.800 -0.657 0.000 1.095 660 F CA 2.247 59.743 58.000 -0.841 0.000 1.249 660 F CB -0.418 38.277 39.000 -0.509 0.000 0.995 660 F HN 0.424 nan 8.300 nan 0.000 0.480 661 S N -0.250 115.190 115.700 -0.433 0.000 2.402 661 S HA -0.263 4.207 4.470 -0.000 0.000 0.233 661 S C 1.702 176.095 174.600 -0.346 0.000 1.030 661 S CA 1.587 59.573 58.200 -0.357 0.000 1.003 661 S CB -0.950 62.224 63.200 -0.042 0.000 0.813 661 S HN 0.495 nan 8.310 nan 0.000 0.477 662 D N 1.060 121.310 120.400 -0.250 0.000 2.265 662 D HA -0.031 4.609 4.640 -0.000 0.000 0.208 662 D C 1.442 177.765 176.300 0.037 0.000 0.977 662 D CA 0.889 54.849 54.000 -0.066 0.000 0.871 662 D CB -0.506 40.319 40.800 0.042 0.000 0.925 662 D HN 0.624 nan 8.370 nan 0.000 0.485 663 F N 0.279 119.982 119.950 -0.412 0.000 2.325 663 F HA 0.040 4.567 4.527 -0.000 0.000 0.299 663 F C 1.183 176.787 175.800 -0.325 0.000 1.090 663 F CA -0.166 57.608 58.000 -0.376 0.000 1.392 663 F CB 0.145 38.808 39.000 -0.562 0.000 1.053 663 F HN -0.186 nan 8.300 nan 0.000 0.521 664 I N 2.946 123.386 120.570 -0.217 0.000 2.294 664 I HA -0.006 4.164 4.170 -0.000 0.000 0.295 664 I C 0.283 176.339 176.117 -0.102 0.000 1.098 664 I CA 0.117 61.307 61.300 -0.184 0.000 1.277 664 I CB 0.073 37.906 38.000 -0.278 0.000 1.434 664 I HN 0.213 nan 8.210 nan 0.000 0.498 665 N N 5.880 124.542 118.700 -0.064 0.000 2.475 665 N HA 0.016 4.756 4.740 -0.000 0.000 0.272 665 N C -0.026 175.462 175.510 -0.038 0.000 1.482 665 N CA -0.367 52.656 53.050 -0.044 0.000 0.863 665 N CB 0.179 38.646 38.487 -0.033 0.000 1.400 665 N HN 0.542 nan 8.380 nan 0.000 0.489 666 N N 0.952 119.628 118.700 -0.041 0.000 2.771 666 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 666 N C -1.344 174.145 175.510 -0.035 0.000 1.069 666 N CA 1.078 54.106 53.050 -0.036 0.000 0.688 666 N CB -0.846 37.624 38.487 -0.028 0.000 0.928 666 N HN 0.680 nan 8.380 nan 0.000 0.551 667 E N -1.251 118.924 120.200 -0.041 0.000 2.355 667 E HA 0.458 4.808 4.350 -0.000 0.000 0.261 667 E C -0.136 176.432 176.600 -0.052 0.000 0.943 667 E CA -0.984 55.389 56.400 -0.044 0.000 0.806 667 E CB 0.935 30.606 29.700 -0.047 0.000 1.286 667 E HN 0.129 nan 8.360 nan 0.000 0.424 668 T N 0.546 115.063 114.554 -0.060 0.000 2.907 668 T HA 0.270 4.620 4.350 -0.000 0.000 0.298 668 T C 0.614 175.252 174.700 -0.104 0.000 1.017 668 T CA -0.266 61.788 62.100 -0.077 0.000 1.118 668 T CB 0.083 68.903 68.868 -0.080 0.000 0.948 668 T HN 0.503 nan 8.240 nan 0.000 0.531 669 I N 1.766 122.261 120.570 -0.124 0.000 3.947 669 I HA 0.540 4.710 4.170 -0.000 0.000 0.327 669 I C 0.689 176.639 176.117 -0.279 0.000 1.519 669 I CA -0.874 60.328 61.300 -0.164 0.000 1.122 669 I CB 0.185 38.122 38.000 -0.104 0.000 1.146 669 I HN 0.494 nan 8.210 nan 0.000 0.442 670 A N 1.941 124.583 122.820 -0.296 0.000 2.798 670 A HA 0.652 4.972 4.320 -0.000 0.000 0.316 670 A C 1.150 178.212 177.584 -0.870 0.000 1.506 670 A CA 0.255 52.032 52.037 -0.434 0.000 1.162 670 A CB -0.885 18.093 19.000 -0.037 0.000 1.138 670 A HN 0.998 nan 8.150 nan 0.000 0.532 671 G N 1.512 109.292 108.800 -1.699 0.000 2.270 671 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.224 671 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.224 671 G C -0.176 174.248 174.900 -0.794 0.000 1.079 671 G CA -0.094 43.894 45.100 -1.854 0.000 0.807 671 G HN 0.602 nan 8.290 nan 0.000 0.492 672 K N -0.204 119.851 120.400 -0.575 0.000 2.346 672 K HA 0.517 4.837 4.320 -0.000 0.000 0.238 672 K C -0.585 175.877 176.600 -0.230 0.000 1.039 672 K CA -1.087 55.014 56.287 -0.309 0.000 0.861 672 K CB 0.902 33.268 32.500 -0.224 0.000 1.278 672 K HN 0.102 nan 8.250 nan 0.000 0.460 673 D N 1.840 122.153 120.400 -0.145 0.000 2.363 673 D HA 0.138 4.778 4.640 -0.000 0.000 0.263 673 D C -0.475 175.770 176.300 -0.092 0.000 1.258 673 D CA 0.179 54.118 54.000 -0.101 0.000 0.907 673 D CB 0.004 40.752 40.800 -0.087 0.000 1.107 673 D HN 0.272 nan 8.370 nan 0.000 0.495 674 L N 2.854 124.030 121.223 -0.079 0.000 2.358 674 L HA 0.635 4.975 4.340 -0.000 0.000 0.268 674 L C -0.101 176.732 176.870 -0.063 0.000 1.032 674 L CA -1.180 53.623 54.840 -0.061 0.000 0.805 674 L CB 2.011 44.037 42.059 -0.055 0.000 1.253 674 L HN 0.141 nan 8.230 nan 0.000 0.452 675 V N 0.822 120.694 119.914 -0.069 0.000 2.777 675 V HA 0.776 4.896 4.120 -0.000 0.000 0.306 675 V C -0.837 175.108 176.094 -0.249 0.000 1.112 675 V CA -0.292 61.888 62.300 -0.199 0.000 0.917 675 V CB 1.859 33.510 31.823 -0.286 0.000 1.018 675 V HN 0.842 nan 8.190 nan 0.000 0.426 676 A N 5.863 128.504 122.820 -0.299 0.000 2.306 676 A HA 0.851 5.171 4.320 -0.000 0.000 0.314 676 A C -1.370 175.967 177.584 -0.411 0.000 1.164 676 A CA -0.462 51.452 52.037 -0.204 0.000 0.822 676 A CB 0.722 19.651 19.000 -0.119 0.000 1.130 676 A HN 0.977 nan 8.150 nan 0.000 0.496 677 W N 2.032 123.307 121.300 -0.041 0.000 2.393 677 W HA 0.522 5.182 4.660 -0.000 0.000 0.315 677 W C -0.883 175.521 176.519 -0.192 0.000 1.009 677 W CA -0.533 56.699 57.345 -0.189 0.000 1.313 677 W CB 1.760 31.214 29.460 -0.009 0.000 1.269 677 W HN 0.421 nan 8.180 nan 0.000 0.420 678 V N 3.160 122.972 119.914 -0.170 0.000 2.435 678 V HA 0.533 4.653 4.120 -0.000 0.000 0.290 678 V C 0.115 176.301 176.094 0.153 0.000 1.030 678 V CA -0.634 61.598 62.300 -0.114 0.000 0.881 678 V CB 1.517 32.958 31.823 -0.638 0.000 0.983 678 V HN 0.436 nan 8.190 nan 0.000 0.445 679 T N 4.178 118.931 114.554 0.332 0.000 2.824 679 T HA 0.770 5.120 4.350 -0.000 0.000 0.280 679 T C -0.079 174.867 174.700 0.409 0.000 0.995 679 T CA -0.255 62.134 62.100 0.482 0.000 1.009 679 T CB 1.558 70.747 68.868 0.535 0.000 0.955 679 T HN 1.000 nan 8.240 nan 0.000 0.452 680 A N 1.932 125.051 122.820 0.498 0.000 2.449 680 A HA 1.008 5.328 4.320 -0.000 0.000 0.302 680 A C -0.018 177.888 177.584 0.537 0.000 1.048 680 A CA -0.424 51.895 52.037 0.469 0.000 0.708 680 A CB 1.852 21.161 19.000 0.516 0.000 1.274 680 A HN 1.172 nan 8.150 nan 0.000 0.410 681 G N -0.372 108.685 108.800 0.428 0.000 2.427 681 G HA2 0.791 4.751 3.960 -0.000 0.000 0.306 681 G HA3 0.791 4.751 3.960 -0.000 0.000 0.306 681 G C -1.187 173.965 174.900 0.420 0.000 1.280 681 G CA 0.204 45.562 45.100 0.430 0.000 0.837 681 G HN 2.050 nan 8.290 nan 0.000 0.482 682 F N -2.214 117.814 119.950 0.130 0.000 2.770 682 F HA 0.751 5.278 4.527 -0.000 0.000 0.313 682 F C -1.721 174.108 175.800 0.049 0.000 1.154 682 F CA -1.416 56.615 58.000 0.053 0.000 0.923 682 F CB 1.377 40.371 39.000 -0.011 0.000 1.301 682 F HN 0.690 nan 8.300 nan 0.000 0.449 683 L N 2.381 123.698 121.223 0.157 0.000 2.292 683 L HA 0.509 4.849 4.340 -0.000 0.000 0.284 683 L C -1.076 175.884 176.870 0.149 0.000 1.065 683 L CA -0.027 54.826 54.840 0.022 0.000 0.806 683 L CB 0.910 42.984 42.059 0.025 0.000 1.175 683 L HN 0.844 nan 8.230 nan 0.000 0.431 684 H N 5.694 124.636 119.070 -0.214 0.000 2.646 684 H HA 0.465 5.021 4.556 -0.000 0.000 0.328 684 H C -1.104 174.088 175.328 -0.226 0.000 0.998 684 H CA -0.930 55.017 56.048 -0.169 0.000 1.225 684 H CB 1.110 30.699 29.762 -0.288 0.000 1.457 684 H HN 0.662 nan 8.280 nan 0.000 0.505 685 I N 8.239 128.898 120.570 0.149 0.000 2.307 685 I HA 0.217 4.387 4.170 -0.000 0.000 0.287 685 I C -2.276 173.915 176.117 0.123 0.000 1.054 685 I CA -2.026 59.304 61.300 0.049 0.000 1.218 685 I CB 1.246 39.295 38.000 0.083 0.000 1.398 685 I HN 0.437 nan 8.210 nan 0.000 0.475 686 P HA 0.093 nan 4.420 nan 0.000 0.269 686 P C -0.921 176.417 177.300 0.063 0.000 1.215 686 P CA 0.367 63.379 63.100 -0.146 0.000 0.780 686 P CB 0.469 32.050 31.700 -0.198 0.000 0.898 687 H N -1.071 118.036 119.070 0.061 0.000 2.966 687 H HA 0.478 5.034 4.556 -0.000 0.000 0.330 687 H C 0.608 175.959 175.328 0.039 0.000 1.292 687 H CA -0.854 55.219 56.048 0.042 0.000 1.127 687 H CB 0.487 30.277 29.762 0.047 0.000 1.863 687 H HN 0.342 nan 8.280 nan 0.000 0.543 688 A N 0.620 123.525 122.820 0.141 0.000 1.927 688 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 688 A C 1.672 179.279 177.584 0.038 0.000 1.185 688 A CA 2.298 54.375 52.037 0.067 0.000 0.639 688 A CB -0.872 18.174 19.000 0.076 0.000 0.820 688 A HN 0.752 nan 8.150 nan 0.000 0.451 689 E N 0.431 120.694 120.200 0.104 0.000 2.478 689 E HA -0.050 4.300 4.350 -0.000 0.000 0.198 689 E C 0.631 177.199 176.600 -0.053 0.000 1.046 689 E CA 0.693 57.135 56.400 0.071 0.000 0.870 689 E CB -0.053 29.764 29.700 0.194 0.000 0.818 689 E HN 0.563 nan 8.360 nan 0.000 0.527 690 D N 0.074 120.365 120.400 -0.182 0.000 2.349 690 D HA -0.021 4.619 4.640 -0.000 0.000 0.224 690 D C -0.023 176.223 176.300 -0.090 0.000 1.029 690 D CA 0.437 54.346 54.000 -0.150 0.000 0.879 690 D CB 0.421 41.123 40.800 -0.163 0.000 0.906 690 D HN 0.129 nan 8.370 nan 0.000 0.528 691 I N 2.284 122.818 120.570 -0.060 0.000 2.362 691 I HA 0.131 4.301 4.170 -0.000 0.000 0.289 691 I C -1.276 174.822 176.117 -0.033 0.000 0.994 691 I CA -2.249 59.030 61.300 -0.035 0.000 1.158 691 I CB 1.555 39.550 38.000 -0.007 0.000 1.315 691 I HN -0.272 nan 8.210 nan 0.000 0.451 692 P HA 0.001 nan 4.420 nan 0.000 0.217 692 P C 0.128 177.233 177.300 -0.326 0.000 1.154 692 P CA 0.995 64.032 63.100 -0.105 0.000 0.841 692 P CB 0.757 32.397 31.700 -0.100 0.000 0.788 693 N N -1.100 117.414 118.700 -0.311 0.000 2.362 693 N HA 0.254 4.994 4.740 -0.000 0.000 0.299 693 N C -0.688 174.713 175.510 -0.183 0.000 1.170 693 N CA -0.535 52.310 53.050 -0.341 0.000 0.825 693 N CB 1.512 39.779 38.487 -0.366 0.000 1.299 693 N HN -0.214 nan 8.380 nan 0.000 0.502 694 T N 1.054 115.523 114.554 -0.142 0.000 2.870 694 T HA 0.137 4.487 4.350 -0.000 0.000 0.300 694 T C 0.591 175.222 174.700 -0.116 0.000 0.989 694 T CA -0.544 61.501 62.100 -0.091 0.000 1.139 694 T CB 0.379 69.232 68.868 -0.025 0.000 0.920 694 T HN 0.303 nan 8.240 nan 0.000 0.537 695 V N 2.013 121.866 119.914 -0.102 0.000 2.953 695 V HA 0.363 4.483 4.120 -0.000 0.000 0.304 695 V C 1.434 177.460 176.094 -0.113 0.000 1.073 695 V CA -0.117 62.122 62.300 -0.102 0.000 1.064 695 V CB 0.723 32.500 31.823 -0.077 0.000 1.047 695 V HN 0.982 nan 8.190 nan 0.000 0.478 696 T N -0.166 114.317 114.554 -0.119 0.000 3.055 696 T HA 0.046 4.396 4.350 -0.000 0.000 0.265 696 T C 0.707 175.374 174.700 -0.056 0.000 1.111 696 T CA 0.492 62.535 62.100 -0.096 0.000 1.118 696 T CB -0.498 68.236 68.868 -0.224 0.000 0.909 696 T HN 0.640 nan 8.240 nan 0.000 0.501 697 V N 2.745 122.610 119.914 -0.081 0.000 2.475 697 V HA 0.363 4.483 4.120 -0.000 0.000 0.292 697 V C 1.814 177.853 176.094 -0.091 0.000 1.003 697 V CA 1.098 63.359 62.300 -0.066 0.000 1.120 697 V CB -0.738 31.048 31.823 -0.061 0.000 0.937 697 V HN 0.867 nan 8.190 nan 0.000 0.476 698 G N 4.762 113.513 108.800 -0.083 0.000 2.245 698 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 698 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 698 G C 0.721 175.458 174.900 -0.273 0.000 0.985 698 G CA 0.432 45.446 45.100 -0.144 0.000 0.625 698 G HN 0.644 nan 8.290 nan 0.000 0.536 699 N N 1.434 119.944 118.700 -0.316 0.000 2.398 699 N HA 0.197 4.937 4.740 -0.000 0.000 0.188 699 N C 1.326 176.426 175.510 -0.683 0.000 1.122 699 N CA 0.828 53.502 53.050 -0.627 0.000 0.866 699 N CB 0.169 38.312 38.487 -0.573 0.000 0.970 699 N HN 0.655 nan 8.380 nan 0.000 0.462 700 G N 0.367 108.852 108.800 -0.526 0.000 2.406 700 G HA2 0.386 4.346 3.960 -0.000 0.000 0.251 700 G HA3 0.386 4.346 3.960 -0.000 0.000 0.251 700 G C -0.440 174.040 174.900 -0.699 0.000 1.271 700 G CA 0.024 44.538 45.100 -0.977 0.000 0.859 700 G HN -0.004 nan 8.290 nan 0.000 0.540 701 V N 1.469 120.954 119.914 -0.715 0.000 2.971 701 V HA 0.957 5.077 4.120 -0.000 0.000 0.309 701 V C 0.546 176.497 176.094 -0.238 0.000 1.130 701 V CA 0.741 62.815 62.300 -0.378 0.000 0.964 701 V CB 1.925 33.601 31.823 -0.245 0.000 1.029 701 V HN 1.556 nan 8.190 nan 0.000 0.427 702 G N 3.417 112.161 108.800 -0.093 0.000 2.455 702 G HA2 0.467 4.427 3.960 -0.000 0.000 0.223 702 G HA3 0.467 4.427 3.960 -0.000 0.000 0.223 702 G C -1.540 173.353 174.900 -0.013 0.000 1.226 702 G CA 0.162 45.208 45.100 -0.091 0.000 0.948 702 G HN 1.565 nan 8.290 nan 0.000 0.478 703 F N -2.018 117.716 119.950 -0.360 0.000 2.713 703 F HA 0.854 5.381 4.527 -0.000 0.000 0.311 703 F C -1.681 173.860 175.800 -0.432 0.000 1.141 703 F CA -1.793 56.045 58.000 -0.269 0.000 0.939 703 F CB 1.101 40.003 39.000 -0.164 0.000 1.325 703 F HN 0.459 nan 8.300 nan 0.000 0.453 704 F N 1.653 121.597 119.950 -0.009 0.000 2.470 704 F HA 0.735 5.262 4.527 0.000 0.000 0.329 704 F C -0.464 175.377 175.800 0.068 0.000 1.072 704 F CA -0.949 57.002 58.000 -0.080 0.000 0.989 704 F CB 2.004 40.941 39.000 -0.106 0.000 1.193 704 F HN 0.350 nan 8.300 nan 0.000 0.481 705 L N 4.072 125.441 121.223 0.243 0.000 2.345 705 L HA 0.556 4.896 4.340 -0.000 0.000 0.274 705 L C -0.637 176.436 176.870 0.338 0.000 0.999 705 L CA -0.588 54.422 54.840 0.284 0.000 0.849 705 L CB 1.223 43.408 42.059 0.211 0.000 1.220 705 L HN 0.552 nan 8.230 nan 0.000 0.422 706 R N 3.731 124.347 120.500 0.193 0.000 2.599 706 R HA 0.497 4.837 4.340 -0.000 0.000 0.295 706 R C -2.677 173.333 176.300 -0.484 0.000 0.963 706 R CA -1.982 54.086 56.100 -0.054 0.000 0.883 706 R CB 2.339 32.583 30.300 -0.093 0.000 1.171 706 R HN 0.227 nan 8.270 nan 0.000 0.450 707 P HA -0.020 nan 4.420 nan 0.000 0.271 707 P C -1.295 175.848 177.300 -0.260 0.000 1.220 707 P CA 0.072 62.588 63.100 -0.973 0.000 0.768 707 P CB 0.391 31.827 31.700 -0.440 0.000 0.848 708 Y N 4.260 124.360 120.300 -0.332 0.000 2.488 708 Y HA 0.242 4.792 4.550 -0.000 0.000 0.330 708 Y C 0.305 176.104 175.900 -0.169 0.000 1.013 708 Y CA -0.503 57.450 58.100 -0.245 0.000 1.304 708 Y CB 0.034 38.267 38.460 -0.379 0.000 1.098 708 Y HN 0.387 nan 8.280 nan 0.000 0.498 709 N N 3.507 122.029 118.700 -0.297 0.000 2.741 709 N HA -0.312 4.428 4.740 -0.000 0.000 0.250 709 N C 0.501 175.999 175.510 -0.019 0.000 1.115 709 N CA 1.459 54.398 53.050 -0.184 0.000 0.724 709 N CB -1.721 36.562 38.487 -0.339 0.000 1.090 709 N HN 0.732 nan 8.380 nan 0.000 0.558 710 F N 0.082 119.922 119.950 -0.183 0.000 2.219 710 F HA 0.218 4.745 4.527 -0.000 0.000 0.294 710 F C 0.864 176.451 175.800 -0.354 0.000 1.086 710 F CA 0.772 58.599 58.000 -0.288 0.000 1.330 710 F CB 0.149 38.843 39.000 -0.511 0.000 1.047 710 F HN -0.005 nan 8.300 nan 0.000 0.495 711 F N 0.416 120.446 119.950 0.133 0.000 2.410 711 F HA 0.237 4.764 4.527 -0.000 0.000 0.324 711 F C 1.463 177.286 175.800 0.039 0.000 1.093 711 F CA -0.782 57.252 58.000 0.056 0.000 1.028 711 F CB 0.216 39.319 39.000 0.171 0.000 1.309 711 F HN -0.275 nan 8.300 nan 0.000 0.499 712 D N -0.433 120.128 120.400 0.268 0.000 2.305 712 D HA 0.036 4.676 4.640 -0.000 0.000 0.206 712 D C -0.001 176.520 176.300 0.369 0.000 0.974 712 D CA 0.774 54.896 54.000 0.203 0.000 0.871 712 D CB 0.195 41.005 40.800 0.017 0.000 0.947 712 D HN 0.696 nan 8.370 nan 0.000 0.516 713 E N -0.449 119.931 120.200 0.300 0.000 2.429 713 E HA 0.163 4.513 4.350 -0.000 0.000 0.280 713 E C -1.378 175.297 176.600 0.125 0.000 1.068 713 E CA -0.887 55.621 56.400 0.179 0.000 0.837 713 E CB 0.847 30.592 29.700 0.075 0.000 1.357 713 E HN -0.316 nan 8.360 nan 0.000 0.455 714 D N 1.989 122.412 120.400 0.039 0.000 2.502 714 D HA 0.013 4.652 4.640 -0.000 0.000 0.249 714 D C -1.133 175.177 176.300 0.016 0.000 1.188 714 D CA -1.685 52.312 54.000 -0.004 0.000 0.890 714 D CB 0.965 41.763 40.800 -0.003 0.000 1.140 714 D HN 0.193 nan 8.370 nan 0.000 0.505 715 P HA -0.179 nan 4.420 nan 0.000 0.219 715 P C 1.087 178.505 177.300 0.195 0.000 1.146 715 P CA 0.919 64.055 63.100 0.060 0.000 0.808 715 P CB -0.060 31.550 31.700 -0.150 0.000 0.779 716 S N -1.569 114.199 115.700 0.114 0.000 2.555 716 S HA -0.122 4.348 4.470 -0.000 0.000 0.230 716 S C 1.735 176.386 174.600 0.086 0.000 0.978 716 S CA -0.056 58.212 58.200 0.114 0.000 0.934 716 S CB -1.492 61.766 63.200 0.096 0.000 0.766 716 S HN -0.026 nan 8.310 nan 0.000 0.533 717 F N 2.499 122.383 119.950 -0.110 0.000 2.134 717 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 717 F C 1.330 176.958 175.800 -0.287 0.000 1.097 717 F CA 0.845 58.682 58.000 -0.272 0.000 1.264 717 F CB -0.687 38.015 39.000 -0.497 0.000 1.001 717 F HN 0.224 nan 8.300 nan 0.000 0.479 718 Y N 0.301 120.504 120.300 -0.163 0.000 2.553 718 Y HA 0.148 4.698 4.550 -0.000 0.000 0.303 718 Y C 1.508 177.313 175.900 -0.158 0.000 1.194 718 Y CA 0.335 58.291 58.100 -0.239 0.000 1.305 718 Y CB -1.230 37.181 38.460 -0.081 0.000 1.045 718 Y HN -0.042 nan 8.280 nan 0.000 0.514 719 S N 0.663 116.367 115.700 0.007 0.000 2.549 719 S HA 0.244 4.714 4.470 -0.000 0.000 0.286 719 S C 1.540 176.139 174.600 -0.002 0.000 1.314 719 S CA 0.070 58.285 58.200 0.025 0.000 1.062 719 S CB 0.851 64.077 63.200 0.043 0.000 0.865 719 S HN 0.473 nan 8.310 nan 0.000 0.498 720 A N 3.699 126.524 122.820 0.010 0.000 2.172 720 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 720 A C 1.143 178.740 177.584 0.022 0.000 1.154 720 A CA 1.180 53.221 52.037 0.007 0.000 0.701 720 A CB -0.201 18.801 19.000 0.004 0.000 0.789 720 A HN 0.850 nan 8.150 nan 0.000 0.465 721 D N -0.407 120.014 120.400 0.036 0.000 2.431 721 D HA 0.088 4.728 4.640 -0.000 0.000 0.213 721 D C 0.356 176.701 176.300 0.075 0.000 1.130 721 D CA 0.469 54.503 54.000 0.056 0.000 0.834 721 D CB 0.215 41.053 40.800 0.063 0.000 0.985 721 D HN 0.442 nan 8.370 nan 0.000 0.504 722 S N 0.731 116.467 115.700 0.060 0.000 2.549 722 S HA 0.266 4.736 4.470 -0.000 0.000 0.279 722 S C 0.284 174.965 174.600 0.136 0.000 1.321 722 S CA -0.515 57.735 58.200 0.084 0.000 1.054 722 S CB 1.232 64.449 63.200 0.028 0.000 0.899 722 S HN -0.067 nan 8.310 nan 0.000 0.497 723 I N 3.074 123.768 120.570 0.207 0.000 2.437 723 I HA 0.495 4.665 4.170 -0.000 0.000 0.298 723 I C -0.491 175.852 176.117 0.376 0.000 0.984 723 I CA -0.696 60.783 61.300 0.297 0.000 1.214 723 I CB 1.294 39.501 38.000 0.346 0.000 1.365 723 I HN 0.940 nan 8.210 nan 0.000 0.469 724 Y N 7.771 128.229 120.300 0.262 0.000 2.480 724 Y HA 0.594 5.144 4.550 -0.000 0.000 0.329 724 Y C -1.768 174.315 175.900 0.306 0.000 1.127 724 Y CA -1.397 56.807 58.100 0.174 0.000 1.037 724 Y CB 1.601 40.116 38.460 0.092 0.000 1.320 724 Y HN 0.413 nan 8.280 nan 0.000 0.446 725 F N 2.951 122.462 119.950 -0.732 0.000 2.672 725 F HA 0.701 5.228 4.527 -0.000 0.000 0.311 725 F C -1.459 174.028 175.800 -0.523 0.000 1.113 725 F CA -1.435 56.228 58.000 -0.560 0.000 0.996 725 F CB 1.177 40.078 39.000 -0.167 0.000 1.286 725 F HN 0.454 nan 8.300 nan 0.000 0.441 726 R N 0.598 121.038 120.500 -0.100 0.000 2.577 726 R HA 0.474 4.814 4.340 -0.000 0.000 0.269 726 R C 1.207 177.615 176.300 0.181 0.000 1.084 726 R CA -0.146 55.981 56.100 0.046 0.000 1.163 726 R CB 1.092 31.457 30.300 0.108 0.000 1.100 726 R HN 1.080 nan 8.270 nan 0.000 0.547 727 G N 0.667 109.572 108.800 0.175 0.000 2.443 727 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 727 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 727 G C 0.743 175.731 174.900 0.145 0.000 1.131 727 G CA 1.021 46.232 45.100 0.185 0.000 0.775 727 G HN 0.809 nan 8.290 nan 0.000 0.547 728 D N -0.628 119.845 120.400 0.122 0.000 2.347 728 D HA 0.041 4.681 4.640 -0.000 0.000 0.213 728 D C 1.380 177.721 176.300 0.069 0.000 0.985 728 D CA 0.162 54.212 54.000 0.084 0.000 0.879 728 D CB -0.028 40.812 40.800 0.068 0.000 0.919 728 D HN 0.358 nan 8.370 nan 0.000 0.526 729 Q N -0.077 119.774 119.800 0.085 0.000 2.316 729 Q HA 0.206 4.546 4.340 -0.000 0.000 0.215 729 Q C -0.701 175.306 176.000 0.011 0.000 1.020 729 Q CA -0.590 55.248 55.803 0.059 0.000 0.970 729 Q CB 0.684 29.474 28.738 0.087 0.000 1.187 729 Q HN 0.061 nan 8.270 nan 0.000 0.546 730 D N -0.576 119.807 120.400 -0.029 0.000 2.396 730 D HA 0.271 4.911 4.640 -0.000 0.000 0.225 730 D C -0.097 176.092 176.300 -0.186 0.000 1.121 730 D CA -0.187 53.763 54.000 -0.083 0.000 0.853 730 D CB 1.273 42.040 40.800 -0.054 0.000 1.043 730 D HN 0.580 nan 8.370 nan 0.000 0.500 731 A N 3.036 125.662 122.820 -0.324 0.000 2.014 731 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 731 A C 1.935 179.283 177.584 -0.395 0.000 1.163 731 A CA 1.294 52.948 52.037 -0.639 0.000 0.652 731 A CB -0.326 18.111 19.000 -0.938 0.000 0.808 731 A HN 0.597 nan 8.150 nan 0.000 0.449 732 G N -0.598 108.062 108.800 -0.234 0.000 2.572 732 G HA2 0.304 4.264 3.960 -0.000 0.000 0.216 732 G HA3 0.304 4.264 3.960 -0.000 0.000 0.216 732 G C 0.752 175.587 174.900 -0.108 0.000 1.133 732 G CA 0.548 45.558 45.100 -0.151 0.000 0.791 732 G HN 0.785 nan 8.290 nan 0.000 0.538 733 A N 0.105 122.863 122.820 -0.104 0.000 2.473 733 A HA 0.323 4.643 4.320 -0.000 0.000 0.282 733 A C 1.688 179.242 177.584 -0.050 0.000 1.163 733 A CA 0.235 52.235 52.037 -0.061 0.000 0.827 733 A CB -0.385 18.588 19.000 -0.045 0.000 1.098 733 A HN 0.413 nan 8.150 nan 0.000 0.515 734 c N 2.958 121.538 118.600 -0.034 0.000 2.385 734 c HA -0.181 4.389 4.570 -0.000 0.000 0.275 734 c C 2.652 176.742 174.090 -0.001 0.000 1.207 734 c CA 1.899 58.217 56.329 -0.018 0.000 1.760 734 c CB -0.964 41.540 42.510 -0.010 0.000 2.051 734 c HN 0.895 nan 8.230 nan 0.000 0.467 735 E N 0.354 120.556 120.200 0.003 0.000 2.209 735 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 735 E C 2.181 178.798 176.600 0.029 0.000 0.993 735 E CA 1.618 58.028 56.400 0.017 0.000 0.819 735 E CB -0.881 28.828 29.700 0.015 0.000 0.745 735 E HN 0.588 nan 8.360 nan 0.000 0.477 736 V N 1.307 121.233 119.914 0.019 0.000 2.379 736 V HA -0.080 4.040 4.120 -0.000 0.000 0.243 736 V C 0.837 176.967 176.094 0.060 0.000 1.035 736 V CA 1.524 63.848 62.300 0.041 0.000 1.035 736 V CB -0.404 31.424 31.823 0.008 0.000 0.673 736 V HN 0.271 nan 8.190 nan 0.000 0.457 737 N N -0.569 118.137 118.700 0.011 0.000 2.540 737 N HA 0.302 5.042 4.740 -0.000 0.000 0.275 737 N C -2.236 173.285 175.510 0.019 0.000 1.053 737 N CA -1.944 51.121 53.050 0.025 0.000 0.876 737 N CB 2.104 40.527 38.487 -0.106 0.000 1.284 737 N HN -0.110 nan 8.380 nan 0.000 0.518 738 P HA -0.105 nan 4.420 nan 0.000 0.217 738 P C 1.371 178.689 177.300 0.029 0.000 1.148 738 P CA 1.012 64.137 63.100 0.042 0.000 0.828 738 P CB 0.339 32.074 31.700 0.059 0.000 0.783 739 L N -1.198 120.045 121.223 0.033 0.000 2.127 739 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 739 L C 2.411 179.275 176.870 -0.010 0.000 1.089 739 L CA 1.487 56.337 54.840 0.017 0.000 0.757 739 L CB -1.151 40.920 42.059 0.021 0.000 0.899 739 L HN -0.016 nan 8.230 nan 0.000 0.434 740 A N -0.540 122.261 122.820 -0.032 0.000 1.978 740 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 740 A C 2.198 179.770 177.584 -0.019 0.000 1.170 740 A CA 1.811 53.822 52.037 -0.042 0.000 0.636 740 A CB -0.929 18.033 19.000 -0.063 0.000 0.810 740 A HN 0.642 nan 8.150 nan 0.000 0.448 741 c N -1.199 117.397 118.600 -0.006 0.000 2.618 741 c HA 0.267 4.837 4.570 -0.000 0.000 0.264 741 c C 2.150 176.248 174.090 0.012 0.000 1.334 741 c CA 0.042 56.374 56.329 0.004 0.000 1.731 741 c CB -1.498 41.018 42.510 0.010 0.000 1.852 741 c HN 0.524 nan 8.230 nan 0.000 0.566 742 L N 2.718 123.948 121.223 0.012 0.000 2.012 742 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 742 L C -0.510 176.376 176.870 0.027 0.000 1.073 742 L CA 2.255 57.107 54.840 0.019 0.000 0.748 742 L CB -1.649 40.421 42.059 0.017 0.000 0.891 742 L HN 0.113 nan 8.230 nan 0.000 0.431 743 P HA -0.155 nan 4.420 nan 0.000 0.219 743 P C 1.650 178.968 177.300 0.030 0.000 1.146 743 P CA 2.093 65.208 63.100 0.026 0.000 0.808 743 P CB -0.159 31.549 31.700 0.013 0.000 0.779 744 Q N 0.033 119.847 119.800 0.024 0.000 1.994 744 Q HA -0.033 4.307 4.340 -0.000 0.000 0.198 744 Q C 2.391 178.415 176.000 0.040 0.000 0.976 744 Q CA 1.950 57.769 55.803 0.026 0.000 0.828 744 Q CB -1.906 26.843 28.738 0.018 0.000 0.894 744 Q HN 0.224 nan 8.270 nan 0.000 0.432 745 A N 0.839 123.683 122.820 0.039 0.000 1.940 745 A HA 0.112 4.432 4.320 -0.000 0.000 0.221 745 A C 2.340 179.972 177.584 0.079 0.000 1.190 745 A CA 2.594 54.660 52.037 0.049 0.000 0.647 745 A CB -0.710 18.311 19.000 0.035 0.000 0.821 745 A HN 1.402 nan 8.150 nan 0.000 0.457 746 A N -1.485 121.390 122.820 0.091 0.000 2.545 746 A HA 0.636 4.956 4.320 -0.000 0.000 0.277 746 A C 0.912 178.595 177.584 0.166 0.000 1.301 746 A CA 0.574 52.711 52.037 0.167 0.000 0.935 746 A CB -0.522 18.566 19.000 0.146 0.000 1.093 746 A HN 1.069 nan 8.150 nan 0.000 0.519 747 A N 0.701 123.581 122.820 0.100 0.000 3.126 747 A HA 0.512 4.832 4.320 -0.000 0.000 0.268 747 A C 0.210 177.823 177.584 0.048 0.000 1.605 747 A CA 0.204 52.277 52.037 0.060 0.000 1.305 747 A CB -1.565 17.455 19.000 0.034 0.000 1.160 747 A HN 1.308 nan 8.150 nan 0.000 0.609 748 c N -1.072 117.563 118.600 0.058 0.000 3.181 748 c HA 0.808 5.378 4.570 -0.000 0.000 0.362 748 c C 0.093 174.137 174.090 -0.077 0.000 1.125 748 c CA -0.525 55.807 56.329 0.005 0.000 1.265 748 c CB 0.768 43.317 42.510 0.065 0.000 1.632 748 c HN 1.279 nan 8.230 nan 0.000 0.525 749 A N 3.132 125.861 122.820 -0.152 0.000 2.409 749 A HA 0.754 5.074 4.320 -0.000 0.000 0.262 749 A C -2.418 175.089 177.584 -0.128 0.000 1.113 749 A CA -0.833 51.082 52.037 -0.204 0.000 0.790 749 A CB -0.319 18.550 19.000 -0.219 0.000 1.046 749 A HN 0.775 nan 8.150 nan 0.000 0.496 750 P HA 0.346 nan 4.420 nan 0.000 0.271 750 P C -0.245 177.061 177.300 0.009 0.000 1.216 750 P CA 0.256 63.228 63.100 -0.213 0.000 0.776 750 P CB 0.472 31.865 31.700 -0.510 0.000 0.881 751 D N 4.164 124.595 120.400 0.051 0.000 2.494 751 D HA 0.243 4.883 4.640 -0.000 0.000 0.217 751 D C 0.262 176.552 176.300 -0.017 0.000 1.153 751 D CA -0.442 53.524 54.000 -0.056 0.000 0.954 751 D CB -0.501 40.192 40.800 -0.179 0.000 1.034 751 D HN 0.312 nan 8.370 nan 0.000 0.518 752 L N 1.876 123.087 121.223 -0.020 0.000 2.360 752 L HA 0.327 4.667 4.340 -0.000 0.000 0.276 752 L C -1.705 175.229 176.870 0.106 0.000 1.121 752 L CA -1.434 53.421 54.840 0.025 0.000 0.845 752 L CB 1.137 43.115 42.059 -0.134 0.000 1.143 752 L HN 0.373 nan 8.230 nan 0.000 0.452 753 P HA 0.090 nan 4.420 nan 0.000 0.269 753 P C -0.423 177.025 177.300 0.247 0.000 1.209 753 P CA -0.305 62.906 63.100 0.185 0.000 0.776 753 P CB 0.638 32.437 31.700 0.165 0.000 0.876 754 A N 3.014 125.924 122.820 0.150 0.000 2.511 754 A HA 0.131 4.451 4.320 -0.000 0.000 0.242 754 A C -0.045 177.650 177.584 0.184 0.000 1.069 754 A CA -0.254 51.886 52.037 0.172 0.000 0.763 754 A CB -0.647 18.414 19.000 0.102 0.000 1.001 754 A HN 0.552 nan 8.150 nan 0.000 0.498 755 F N 3.671 123.700 119.950 0.132 0.000 2.571 755 F HA 0.340 4.867 4.527 0.000 0.000 0.384 755 F C 0.854 176.652 175.800 -0.003 0.000 1.058 755 F CA 1.104 59.132 58.000 0.048 0.000 1.200 755 F CB 0.396 39.455 39.000 0.097 0.000 1.077 755 F HN 0.561 nan 8.300 nan 0.000 0.558 756 S N 6.330 121.534 115.700 -0.827 0.000 2.568 756 S HA 0.421 4.891 4.470 -0.000 0.000 0.302 756 S C -1.304 172.674 174.600 -1.037 0.000 1.082 756 S CA -0.661 57.136 58.200 -0.673 0.000 1.009 756 S CB 1.201 64.178 63.200 -0.372 0.000 1.069 756 S HN 0.866 nan 8.310 nan 0.000 0.500 757 H N 1.097 119.803 119.070 -0.606 0.000 2.637 757 H HA 0.410 4.966 4.556 -0.000 0.000 0.363 757 H C 0.966 176.150 175.328 -0.240 0.000 1.131 757 H CA -0.292 55.511 56.048 -0.410 0.000 1.183 757 H CB 1.780 31.464 29.762 -0.130 0.000 1.637 757 H HN 0.878 nan 8.280 nan 0.000 0.531 758 G N 2.230 110.455 108.800 -0.959 0.000 2.848 758 G HA2 0.278 4.238 3.960 -0.000 0.000 0.208 758 G HA3 0.278 4.238 3.960 -0.000 0.000 0.208 758 G C 0.750 175.338 174.900 -0.520 0.000 1.152 758 G CA 0.505 45.242 45.100 -0.603 0.000 0.789 758 G HN 1.030 nan 8.290 nan 0.000 0.531 759 G N -0.954 107.493 108.800 -0.588 0.000 2.750 759 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.228 759 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.228 759 G C -0.219 174.472 174.900 -0.348 0.000 1.367 759 G CA -0.212 44.801 45.100 -0.146 0.000 0.871 759 G HN 0.362 nan 8.290 nan 0.000 0.560 760 F N -0.668 119.322 119.950 0.066 0.000 2.835 760 F HA 0.775 5.302 4.527 -0.000 0.000 0.373 760 F C 1.084 176.910 175.800 0.043 0.000 1.209 760 F CA -0.248 57.798 58.000 0.077 0.000 1.082 760 F CB 1.086 40.152 39.000 0.110 0.000 1.472 760 F HN 0.618 nan 8.300 nan 0.000 0.519 761 S N -1.433 114.431 115.700 0.272 0.000 2.690 761 S HA 0.319 4.789 4.470 -0.000 0.000 0.285 761 S C -0.632 174.029 174.600 0.101 0.000 1.135 761 S CA -0.662 57.607 58.200 0.116 0.000 1.020 761 S CB 0.229 63.511 63.200 0.136 0.000 1.159 761 S HN 0.471 nan 8.310 nan 0.000 0.534 762 H N 0.000 119.094 119.070 0.040 0.000 2.539 762 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 762 H CA 0.000 56.066 56.048 0.030 0.000 1.023 762 H CB 0.000 29.759 29.762 -0.004 0.000 1.292 762 H HN 0.000 nan 8.280 nan 0.000 0.496