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 1fep_1_A DATA FIRST_RESID 11 DATA SEQUENCE DDTIVVTAAE QNLQAPGVST ITADEIRKNP VARDVSKIIR TXPGVNLTGN DATA SEQUENCE STSGQRGNNR QIDIRGXGPE NTLILIDGKP VSSRNSVRQG WRGERDTRGD DATA SEQUENCE TSWVPPEXIE RIEVLRGPAA ARYGNGAAGG VVNIITKKGS GEWHGSWDAY DATA SEQUENCE FNAPEHKEEG ATKRTNFSLT GPLGDEFSFR LYGNLDKTQA DAWDINQGHQ DATA SEQUENCE SARAGTYATT LPAGREGVIN KDINGVVRWD FAPLQSLELE AGYSRQGNLY DATA SEQUENCE AGDTQNTNSD SYTRSKYGDE TNRLYRQNYA LTWNGGWDNG VTTSNWVQYE DATA SEQUENCE HTRNSRIPEG LAGXXXXXXX XXXXQDFVDI DLDDVXLHSE VNLPIDFLVN DATA SEQUENCE QTLTLGTEWN QQRXKDLSSN TQAXXXXXXX XXXXXXXXXD RSPYSKAEIF DATA SEQUENCE SLFAENNXEL TDSTIVTPGL RFDHHSIVGN NWSPALNISQ GLGDDFTLKX DATA SEQUENCE GIARAYKAPS LYQTNPNYIL YSKGQXXXXX XXGCYLQGND DLKAETSINK DATA SEQUENCE EIGLEFKRDG WLAGVTWFRN DYRNKIEAGY VAVGQNAVGT DLYQWDNVPK DATA SEQUENCE AVVEGLEGSL NVPVSETVXW TNNITYXLKS ENKTTGDRLS IIPEYTLNST DATA SEQUENCE LSWQAREDLS XQTTFTWYGK QQPKKYNYKG QPAVGPETKE ISPYSIVGLS DATA SEQUENCE ATWDVTKNVS LTGGVDNLFD KRLWRAGNAQ TTGDLAGANY IAGAGAYTYN DATA SEQUENCE EPGRTWYXSV NTHF 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 11 D HA 0.000 nan 4.640 nan 0.000 0.175 11 D C 0.000 176.308 176.300 0.013 0.000 2.045 11 D CA 0.000 54.006 54.000 0.010 0.000 0.868 11 D CB 0.000 40.806 40.800 0.010 0.000 0.688 12 D N 0.866 121.274 120.400 0.014 0.000 2.501 12 D HA 0.036 4.675 4.640 -0.002 0.000 0.226 12 D C -0.536 175.774 176.300 0.017 0.000 1.198 12 D CA 0.085 54.095 54.000 0.017 0.000 0.830 12 D CB 0.629 41.438 40.800 0.017 0.000 1.014 12 D HN 0.108 nan 8.370 nan 0.000 0.496 13 T N 2.023 116.587 114.554 0.016 0.000 2.855 13 T HA 0.246 4.595 4.350 -0.002 0.000 0.290 13 T C 0.939 175.651 174.700 0.019 0.000 0.941 13 T CA -0.149 61.961 62.100 0.016 0.000 1.030 13 T CB 0.246 69.123 68.868 0.015 0.000 0.935 13 T HN 0.110 nan 8.240 nan 0.000 0.564 14 I N 2.680 123.262 120.570 0.020 0.000 2.779 14 I HA 0.152 4.321 4.170 -0.002 0.000 0.285 14 I C 0.543 176.672 176.117 0.021 0.000 1.134 14 I CA -0.560 60.754 61.300 0.023 0.000 1.398 14 I CB 0.766 38.782 38.000 0.026 0.000 1.404 14 I HN 0.178 nan 8.210 nan 0.000 0.587 15 V N 5.839 125.767 119.914 0.023 0.000 2.567 15 V HA 0.162 4.281 4.120 -0.002 0.000 0.289 15 V C 0.319 176.425 176.094 0.020 0.000 1.049 15 V CA -0.715 61.597 62.300 0.021 0.000 0.969 15 V CB 1.619 33.456 31.823 0.024 0.000 0.995 15 V HN 0.554 nan 8.190 nan 0.000 0.471 16 V N 2.334 122.258 119.914 0.017 0.000 3.096 16 V HA 0.395 4.514 4.120 -0.002 0.000 0.306 16 V C 0.713 176.818 176.094 0.018 0.000 1.088 16 V CA -0.124 62.186 62.300 0.015 0.000 1.129 16 V CB 0.696 32.525 31.823 0.011 0.000 1.014 16 V HN 1.039 nan 8.190 nan 0.000 0.486 17 T N 0.780 115.346 114.554 0.019 0.000 2.802 17 T HA 0.479 4.828 4.350 -0.002 0.000 0.305 17 T C 1.321 176.031 174.700 0.016 0.000 1.053 17 T CA 0.072 62.185 62.100 0.022 0.000 1.058 17 T CB 0.942 69.826 68.868 0.026 0.000 0.988 17 T HN 1.530 nan 8.240 nan 0.000 0.539 18 A N 1.342 124.172 122.820 0.016 0.000 1.933 18 A HA 0.150 4.469 4.320 -0.002 0.000 0.218 18 A C 2.660 180.241 177.584 -0.004 0.000 1.175 18 A CA 1.820 53.862 52.037 0.008 0.000 0.628 18 A CB -1.530 17.476 19.000 0.009 0.000 0.814 18 A HN 1.240 nan 8.150 nan 0.000 0.444 19 A N -0.585 122.227 122.820 -0.013 0.000 1.902 19 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 19 A C 2.018 179.605 177.584 0.006 0.000 1.181 19 A CA 1.763 53.785 52.037 -0.025 0.000 0.623 19 A CB -0.491 18.485 19.000 -0.040 0.000 0.818 19 A HN 0.642 nan 8.150 nan 0.000 0.443 20 E N -1.060 119.145 120.200 0.009 0.000 2.072 20 E HA -0.249 4.100 4.350 -0.002 0.000 0.191 20 E C 2.220 178.825 176.600 0.008 0.000 0.985 20 E CA 1.260 57.666 56.400 0.009 0.000 0.801 20 E CB -0.076 29.628 29.700 0.007 0.000 0.750 20 E HN 0.588 nan 8.360 nan 0.000 0.452 21 Q N 1.092 120.897 119.800 0.009 0.000 2.061 21 Q HA -0.172 4.167 4.340 -0.002 0.000 0.204 21 Q C 1.739 177.745 176.000 0.011 0.000 0.984 21 Q CA 1.740 57.549 55.803 0.010 0.000 0.846 21 Q CB -0.330 28.416 28.738 0.013 0.000 0.902 21 Q HN 0.246 nan 8.270 nan 0.000 0.421 22 N N -0.377 118.330 118.700 0.013 0.000 2.334 22 N HA -0.143 4.596 4.740 -0.002 0.000 0.187 22 N C 1.298 176.819 175.510 0.019 0.000 1.016 22 N CA 1.024 54.085 53.050 0.018 0.000 0.879 22 N CB -0.073 38.428 38.487 0.023 0.000 0.965 22 N HN 0.347 nan 8.380 nan 0.000 0.438 23 L N 0.286 121.518 121.223 0.015 0.000 2.551 23 L HA -0.092 4.247 4.340 -0.002 0.000 0.228 23 L C 1.509 178.376 176.870 -0.005 0.000 1.153 23 L CA 0.588 55.431 54.840 0.005 0.000 0.851 23 L CB -0.018 42.041 42.059 0.000 0.000 0.959 23 L HN 0.019 nan 8.230 nan 0.000 0.451 24 Q N -0.099 119.701 119.800 -0.000 0.000 2.280 24 Q HA 0.269 4.608 4.340 -0.002 0.000 0.201 24 Q C 0.630 176.631 176.000 0.002 0.000 0.890 24 Q CA -0.153 55.648 55.803 -0.003 0.000 0.947 24 Q CB 0.507 29.244 28.738 -0.001 0.000 1.081 24 Q HN 0.392 nan 8.270 nan 0.000 0.502 25 A N 1.283 124.106 122.820 0.005 0.000 2.425 25 A HA 0.174 4.493 4.320 -0.002 0.000 0.242 25 A C -1.430 176.158 177.584 0.007 0.000 1.077 25 A CA -0.901 51.143 52.037 0.011 0.000 0.781 25 A CB -0.084 18.922 19.000 0.012 0.000 1.020 25 A HN 0.183 nan 8.150 nan 0.000 0.494 26 P HA -0.102 nan 4.420 nan 0.000 0.222 26 P C 0.939 178.240 177.300 0.001 0.000 1.147 26 P CA 1.774 64.888 63.100 0.023 0.000 0.790 26 P CB 0.033 31.766 31.700 0.055 0.000 0.780 27 G N -0.196 108.593 108.800 -0.018 0.000 3.702 27 G HA2 0.343 4.302 3.960 -0.002 0.000 0.288 27 G HA3 0.343 4.302 3.960 -0.002 0.000 0.288 27 G C -0.113 174.742 174.900 -0.075 0.000 1.193 27 G CA -0.048 45.014 45.100 -0.062 0.000 0.952 27 G HN 0.115 nan 8.290 nan 0.000 0.544 28 V N 0.395 120.277 119.914 -0.053 0.000 2.604 28 V HA 0.675 4.794 4.120 -0.002 0.000 0.305 28 V C -0.305 175.754 176.094 -0.059 0.000 1.043 28 V CA -0.579 61.687 62.300 -0.057 0.000 0.888 28 V CB 1.822 33.623 31.823 -0.037 0.000 0.995 28 V HN 0.184 nan 8.190 nan 0.000 0.429 29 S N 1.951 117.608 115.700 -0.071 0.000 2.570 29 S HA 0.764 5.233 4.470 -0.002 0.000 0.286 29 S C -0.455 174.102 174.600 -0.072 0.000 1.099 29 S CA -0.634 57.525 58.200 -0.069 0.000 0.913 29 S CB 2.264 65.418 63.200 -0.077 0.000 1.085 29 S HN 0.761 nan 8.310 nan 0.000 0.480 30 T N 2.024 116.537 114.554 -0.067 0.000 2.863 30 T HA 0.667 5.016 4.350 -0.002 0.000 0.285 30 T C -0.794 173.863 174.700 -0.071 0.000 1.009 30 T CA -0.394 61.664 62.100 -0.069 0.000 0.989 30 T CB 0.762 69.593 68.868 -0.061 0.000 1.004 30 T HN 0.439 nan 8.240 nan 0.000 0.455 31 I N 2.490 123.014 120.570 -0.077 0.000 2.498 31 I HA 0.414 4.583 4.170 -0.002 0.000 0.290 31 I C 0.656 176.726 176.117 -0.078 0.000 1.032 31 I CA -0.841 60.413 61.300 -0.077 0.000 1.073 31 I CB 2.394 40.343 38.000 -0.085 0.000 1.251 31 I HN 0.690 nan 8.210 nan 0.000 0.426 32 T N 1.664 116.175 114.554 -0.072 0.000 2.912 32 T HA 0.546 4.895 4.350 -0.002 0.000 0.280 32 T C 1.077 175.729 174.700 -0.079 0.000 0.989 32 T CA -0.215 61.841 62.100 -0.073 0.000 0.995 32 T CB 1.869 70.698 68.868 -0.064 0.000 1.077 32 T HN 0.616 nan 8.240 nan 0.000 0.531 33 A N 0.411 123.180 122.820 -0.085 0.000 1.933 33 A HA -0.046 4.273 4.320 -0.002 0.000 0.218 33 A C 1.959 179.495 177.584 -0.081 0.000 1.175 33 A CA 1.972 53.953 52.037 -0.092 0.000 0.628 33 A CB -1.310 17.628 19.000 -0.103 0.000 0.814 33 A HN 1.014 nan 8.150 nan 0.000 0.444 34 D N -0.507 119.850 120.400 -0.071 0.000 2.104 34 D HA -0.167 4.472 4.640 -0.002 0.000 0.194 34 D C 1.929 178.201 176.300 -0.048 0.000 0.994 34 D CA 1.701 55.666 54.000 -0.057 0.000 0.830 34 D CB -0.105 40.666 40.800 -0.050 0.000 0.959 34 D HN 0.629 nan 8.370 nan 0.000 0.452 35 E N -0.360 119.809 120.200 -0.051 0.000 2.085 35 E HA -0.176 4.173 4.350 -0.002 0.000 0.194 35 E C 2.291 178.857 176.600 -0.056 0.000 0.994 35 E CA 0.825 57.197 56.400 -0.047 0.000 0.801 35 E CB -0.066 29.602 29.700 -0.054 0.000 0.743 35 E HN 0.431 nan 8.360 nan 0.000 0.453 36 I N 0.599 121.125 120.570 -0.074 0.000 2.252 36 I HA -0.255 3.914 4.170 -0.002 0.000 0.245 36 I C 2.687 178.756 176.117 -0.081 0.000 1.102 36 I CA 0.954 62.199 61.300 -0.092 0.000 1.385 36 I CB -0.186 37.749 38.000 -0.108 0.000 1.064 36 I HN 0.012 nan 8.210 nan 0.000 0.414 37 R N 1.543 122.006 120.500 -0.062 0.000 2.120 37 R HA -0.170 4.169 4.340 -0.002 0.000 0.234 37 R C 1.915 178.210 176.300 -0.008 0.000 1.123 37 R CA 1.458 57.536 56.100 -0.037 0.000 0.975 37 R CB 0.025 30.305 30.300 -0.033 0.000 0.866 37 R HN 0.306 nan 8.270 nan 0.000 0.446 38 K N -0.489 119.907 120.400 -0.006 0.000 2.400 38 K HA 0.074 4.393 4.320 -0.002 0.000 0.194 38 K C 0.033 176.654 176.600 0.034 0.000 1.033 38 K CA 0.248 56.550 56.287 0.026 0.000 1.021 38 K CB 0.384 32.897 32.500 0.022 0.000 0.808 38 K HN 0.094 nan 8.250 nan 0.000 0.505 39 N N 1.958 120.649 118.700 -0.016 0.000 2.918 39 N HA 0.200 4.939 4.740 -0.002 0.000 0.270 39 N C -2.893 172.531 175.510 -0.143 0.000 1.536 39 N CA -1.318 51.702 53.050 -0.050 0.000 0.877 39 N CB 1.398 39.849 38.487 -0.060 0.000 1.190 39 N HN -0.082 nan 8.380 nan 0.000 0.492 40 P HA -0.025 nan 4.420 nan 0.000 0.262 40 P C 0.082 177.091 177.300 -0.486 0.000 1.182 40 P CA 0.128 63.059 63.100 -0.281 0.000 0.761 40 P CB 0.938 32.580 31.700 -0.096 0.000 0.795 41 V N 3.184 122.779 119.914 -0.532 0.000 2.644 41 V HA 0.407 4.526 4.120 -0.002 0.000 0.295 41 V C 0.984 176.603 176.094 -0.791 0.000 1.053 41 V CA 0.305 62.299 62.300 -0.511 0.000 0.987 41 V CB 1.168 32.782 31.823 -0.349 0.000 1.006 41 V HN 0.714 nan 8.190 nan 0.000 0.472 42 A N 5.740 128.267 122.820 -0.488 0.000 2.712 42 A HA 0.124 4.443 4.320 -0.002 0.000 0.211 42 A C 1.857 179.308 177.584 -0.221 0.000 1.877 42 A CA 0.798 52.652 52.037 -0.306 0.000 0.686 42 A CB -0.300 18.687 19.000 -0.021 0.000 1.308 42 A HN 0.860 nan 8.150 nan 0.000 0.498 43 R N -1.134 119.290 120.500 -0.127 0.000 2.276 43 R HA 0.114 4.453 4.340 -0.002 0.000 0.196 43 R C -0.843 175.363 176.300 -0.156 0.000 0.961 43 R CA 1.005 57.036 56.100 -0.115 0.000 1.024 43 R CB 0.131 30.385 30.300 -0.076 0.000 0.940 43 R HN 0.402 nan 8.270 nan 0.000 0.480 44 D N -0.286 120.008 120.400 -0.177 0.000 2.937 44 D HA -0.018 4.621 4.640 -0.002 0.000 0.215 44 D C -0.051 176.137 176.300 -0.186 0.000 1.274 44 D CA -0.469 53.421 54.000 -0.184 0.000 0.869 44 D CB 2.637 43.336 40.800 -0.168 0.000 1.675 44 D HN -0.156 nan 8.370 nan 0.000 0.538 45 V N 3.333 123.136 119.914 -0.185 0.000 3.078 45 V HA -0.154 3.965 4.120 -0.002 0.000 0.265 45 V C 2.001 178.004 176.094 -0.152 0.000 1.122 45 V CA 2.527 64.723 62.300 -0.173 0.000 1.141 45 V CB -0.375 31.350 31.823 -0.165 0.000 0.735 45 V HN 0.631 nan 8.190 nan 0.000 0.498 46 S N 0.166 115.778 115.700 -0.147 0.000 2.547 46 S HA -0.227 4.242 4.470 -0.002 0.000 0.235 46 S C 1.857 176.382 174.600 -0.125 0.000 0.980 46 S CA 1.333 59.453 58.200 -0.134 0.000 0.941 46 S CB -0.502 62.618 63.200 -0.135 0.000 0.763 46 S HN 0.833 nan 8.310 nan 0.000 0.532 47 K N 1.154 121.475 120.400 -0.132 0.000 2.211 47 K HA 0.133 4.452 4.320 -0.002 0.000 0.203 47 K C 1.911 178.446 176.600 -0.108 0.000 1.050 47 K CA 1.259 57.476 56.287 -0.117 0.000 0.945 47 K CB -0.253 32.169 32.500 -0.130 0.000 0.732 47 K HN 0.508 nan 8.250 nan 0.000 0.451 48 I N 0.221 120.720 120.570 -0.119 0.000 2.731 48 I HA -0.020 4.149 4.170 -0.002 0.000 0.260 48 I C 1.761 177.818 176.117 -0.099 0.000 1.138 48 I CA 0.324 61.561 61.300 -0.106 0.000 1.461 48 I CB 0.166 38.098 38.000 -0.114 0.000 1.128 48 I HN 0.159 nan 8.210 nan 0.000 0.438 49 I N 1.702 122.207 120.570 -0.108 0.000 2.264 49 I HA -0.319 3.850 4.170 -0.002 0.000 0.248 49 I C 2.515 178.572 176.117 -0.099 0.000 1.111 49 I CA 1.583 62.819 61.300 -0.107 0.000 1.382 49 I CB -0.450 37.481 38.000 -0.115 0.000 1.060 49 I HN 0.305 nan 8.210 nan 0.000 0.418 50 R N 1.214 121.656 120.500 -0.095 0.000 2.328 50 R HA -0.051 4.288 4.340 -0.002 0.000 0.207 50 R C 1.007 177.269 176.300 -0.063 0.000 1.056 50 R CA 1.023 57.074 56.100 -0.082 0.000 1.016 50 R CB -1.083 29.172 30.300 -0.077 0.000 0.872 50 R HN 0.402 nan 8.270 nan 0.000 0.471 54 G N -0.360 108.395 108.800 -0.075 0.000 2.160 54 G HA2 -0.055 3.904 3.960 -0.002 0.000 0.251 54 G HA3 -0.055 3.904 3.960 -0.002 0.000 0.251 54 G C -0.310 174.488 174.900 -0.171 0.000 1.008 54 G CA 0.258 45.265 45.100 -0.156 0.000 0.724 54 G HN 0.736 nan 8.290 nan 0.000 0.514 55 V N 0.789 120.634 119.914 -0.115 0.000 2.709 55 V HA 0.669 4.788 4.120 -0.002 0.000 0.308 55 V C -0.250 175.791 176.094 -0.089 0.000 1.062 55 V CA -1.201 61.029 62.300 -0.117 0.000 0.901 55 V CB 1.977 33.731 31.823 -0.116 0.000 1.003 55 V HN 0.376 nan 8.190 nan 0.000 0.425 56 N N 2.730 121.367 118.700 -0.104 0.000 2.509 56 N HA 0.646 5.385 4.740 -0.002 0.000 0.280 56 N C -1.694 173.733 175.510 -0.137 0.000 1.306 56 N CA -0.648 52.336 53.050 -0.109 0.000 0.782 56 N CB 3.024 41.441 38.487 -0.116 0.000 1.493 56 N HN 0.448 nan 8.380 nan 0.000 0.498 57 L N 0.567 121.684 121.223 -0.177 0.000 2.319 57 L HA 0.563 4.902 4.340 -0.002 0.000 0.281 57 L C -0.343 176.376 176.870 -0.250 0.000 1.005 57 L CA 0.164 54.883 54.840 -0.200 0.000 0.828 57 L CB 1.335 43.265 42.059 -0.215 0.000 1.227 57 L HN 0.710 nan 8.230 nan 0.000 0.415 58 T N 2.339 116.773 114.554 -0.201 0.000 2.821 58 T HA 0.675 5.025 4.350 -0.002 0.000 0.306 58 T C -0.249 174.369 174.700 -0.136 0.000 1.313 58 T CA -0.082 61.900 62.100 -0.196 0.000 1.012 58 T CB 1.121 69.894 68.868 -0.160 0.000 1.298 58 T HN 0.765 nan 8.240 nan 0.000 0.502 59 G N 1.590 110.326 108.800 -0.106 0.000 2.569 59 G HA2 0.218 4.177 3.960 -0.002 0.000 0.249 59 G HA3 0.218 4.177 3.960 -0.002 0.000 0.249 59 G C 0.963 175.839 174.900 -0.040 0.000 1.216 59 G CA -0.393 44.671 45.100 -0.060 0.000 0.845 59 G HN 0.764 nan 8.290 nan 0.000 0.568 60 N N -0.714 117.972 118.700 -0.023 0.000 2.223 60 N HA -0.106 4.633 4.740 -0.002 0.000 0.185 60 N C 1.045 176.566 175.510 0.018 0.000 1.016 60 N CA 1.079 54.126 53.050 -0.005 0.000 0.863 60 N CB 0.127 38.617 38.487 0.005 0.000 0.983 60 N HN 0.392 nan 8.380 nan 0.000 0.429 61 S N -0.589 115.125 115.700 0.024 0.000 2.482 61 S HA 0.238 4.707 4.470 -0.002 0.000 0.303 61 S C 1.027 175.637 174.600 0.016 0.000 1.091 61 S CA -0.702 57.520 58.200 0.038 0.000 1.057 61 S CB 1.394 64.631 63.200 0.061 0.000 1.031 61 S HN 0.291 nan 8.310 nan 0.000 0.485 62 T N 1.086 115.646 114.554 0.009 0.000 3.163 62 T HA -0.026 4.323 4.350 -0.002 0.000 0.260 62 T C 1.566 176.245 174.700 -0.034 0.000 1.156 62 T CA 0.965 63.058 62.100 -0.012 0.000 1.072 62 T CB -0.577 68.283 68.868 -0.013 0.000 0.937 62 T HN 0.640 nan 8.240 nan 0.000 0.528 63 S N 0.202 115.883 115.700 -0.032 0.000 2.527 63 S HA 0.378 4.847 4.470 -0.002 0.000 0.222 63 S C 2.038 176.641 174.600 0.005 0.000 0.985 63 S CA 0.437 58.605 58.200 -0.053 0.000 0.921 63 S CB -0.695 62.492 63.200 -0.022 0.000 0.772 63 S HN 1.226 nan 8.310 nan 0.000 0.529 64 G N 0.429 109.241 108.800 0.019 0.000 2.176 64 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.253 64 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.253 64 G C -0.139 174.788 174.900 0.046 0.000 0.979 64 G CA 0.063 45.185 45.100 0.037 0.000 0.641 64 G HN 0.592 nan 8.290 nan 0.000 0.530 65 Q N 0.098 119.928 119.800 0.050 0.000 2.313 65 Q HA 0.491 4.830 4.340 -0.002 0.000 0.266 65 Q C 0.935 176.961 176.000 0.044 0.000 0.989 65 Q CA -0.417 55.419 55.803 0.053 0.000 0.890 65 Q CB 0.398 29.179 28.738 0.070 0.000 1.200 65 Q HN 0.331 nan 8.270 nan 0.000 0.396 66 R N 1.188 121.710 120.500 0.037 0.000 3.776 66 R HA -0.186 4.153 4.340 -0.002 0.000 0.312 66 R C 0.878 177.189 176.300 0.020 0.000 1.181 66 R CA 0.703 56.817 56.100 0.023 0.000 0.836 66 R CB -2.593 27.721 30.300 0.024 0.000 1.324 66 R HN 1.032 nan 8.270 nan 0.000 0.501 67 G N 0.832 109.654 108.800 0.036 0.000 2.485 67 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.221 67 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.221 67 G C 1.168 176.104 174.900 0.060 0.000 1.115 67 G CA 0.801 45.933 45.100 0.054 0.000 0.751 67 G HN 0.308 nan 8.290 nan 0.000 0.567 68 N N 0.277 119.003 118.700 0.043 0.000 2.398 68 N HA -0.017 4.722 4.740 -0.002 0.000 0.188 68 N C 0.222 175.723 175.510 -0.014 0.000 1.122 68 N CA -0.003 53.066 53.050 0.032 0.000 0.866 68 N CB -0.096 38.408 38.487 0.027 0.000 0.970 68 N HN 0.494 nan 8.380 nan 0.000 0.462 69 N N 1.092 119.776 118.700 -0.026 0.000 2.801 69 N HA 0.133 4.872 4.740 -0.002 0.000 0.235 69 N C -0.859 174.610 175.510 -0.068 0.000 1.069 69 N CA -0.300 52.721 53.050 -0.049 0.000 0.946 69 N CB 0.498 38.962 38.487 -0.039 0.000 1.212 69 N HN -0.066 nan 8.380 nan 0.000 0.509 70 R N 1.713 122.155 120.500 -0.097 0.000 2.474 70 R HA 0.380 4.719 4.340 -0.002 0.000 0.295 70 R C -0.404 175.820 176.300 -0.127 0.000 0.980 70 R CA -0.667 55.356 56.100 -0.128 0.000 0.934 70 R CB 1.595 31.779 30.300 -0.192 0.000 1.101 70 R HN 0.503 nan 8.270 nan 0.000 0.469 71 Q N 1.305 121.032 119.800 -0.123 0.000 2.668 71 Q HA 0.412 4.751 4.340 -0.002 0.000 0.298 71 Q C -0.308 175.619 176.000 -0.123 0.000 1.071 71 Q CA -1.081 54.652 55.803 -0.117 0.000 0.789 71 Q CB 1.471 30.151 28.738 -0.097 0.000 1.497 71 Q HN 0.416 nan 8.270 nan 0.000 0.460 72 I N 2.263 122.762 120.570 -0.118 0.000 2.505 72 I HA 0.017 4.186 4.170 -0.002 0.000 0.287 72 I C 0.421 176.467 176.117 -0.119 0.000 1.104 72 I CA 0.424 61.652 61.300 -0.121 0.000 1.387 72 I CB -0.497 37.431 38.000 -0.120 0.000 1.404 72 I HN 0.466 nan 8.210 nan 0.000 0.528 73 D N 8.217 128.543 120.400 -0.123 0.000 2.278 73 D HA 0.392 5.031 4.640 -0.002 0.000 0.245 73 D C -0.785 175.432 176.300 -0.139 0.000 1.052 73 D CA -0.445 53.482 54.000 -0.122 0.000 0.834 73 D CB 1.787 42.521 40.800 -0.111 0.000 1.194 73 D HN 0.311 nan 8.370 nan 0.000 0.481 74 I N 3.794 124.269 120.570 -0.158 0.000 2.339 74 I HA 0.268 4.437 4.170 -0.002 0.000 0.290 74 I C 1.012 176.989 176.117 -0.234 0.000 0.994 74 I CA -0.684 60.497 61.300 -0.198 0.000 1.191 74 I CB 1.125 39.001 38.000 -0.208 0.000 1.343 74 I HN 0.512 nan 8.210 nan 0.000 0.458 75 R N 3.884 124.218 120.500 -0.276 0.000 3.627 75 R HA -0.199 4.140 4.340 -0.002 0.000 0.281 75 R C 0.594 176.829 176.300 -0.109 0.000 1.140 75 R CA 0.552 56.464 56.100 -0.314 0.000 0.761 75 R CB -1.807 28.085 30.300 -0.680 0.000 1.181 75 R HN 1.139 nan 8.270 nan 0.000 0.472 79 P HA -0.079 nan 4.420 nan 0.000 0.219 79 P C 1.448 178.709 177.300 -0.065 0.000 1.146 79 P CA 1.076 64.132 63.100 -0.074 0.000 0.808 79 P CB 0.518 32.177 31.700 -0.069 0.000 0.779 80 E N -0.272 119.900 120.200 -0.046 0.000 2.338 80 E HA -0.131 4.218 4.350 -0.002 0.000 0.197 80 E C 1.187 177.751 176.600 -0.059 0.000 1.007 80 E CA 1.009 57.384 56.400 -0.043 0.000 0.849 80 E CB -1.035 28.653 29.700 -0.020 0.000 0.774 80 E HN 0.108 nan 8.360 nan 0.000 0.506 81 N N -0.129 118.525 118.700 -0.077 0.000 2.314 81 N HA 0.026 4.765 4.740 -0.002 0.000 0.200 81 N C -0.702 174.734 175.510 -0.123 0.000 1.135 81 N CA 0.280 53.264 53.050 -0.110 0.000 0.835 81 N CB 0.604 38.992 38.487 -0.165 0.000 0.989 81 N HN -0.013 nan 8.380 nan 0.000 0.478 82 T N 1.424 115.912 114.554 -0.110 0.000 2.767 82 T HA 0.292 4.641 4.350 -0.002 0.000 0.284 82 T C -0.174 174.463 174.700 -0.104 0.000 0.973 82 T CA -0.496 61.533 62.100 -0.118 0.000 0.996 82 T CB 1.723 70.520 68.868 -0.118 0.000 0.927 82 T HN -0.044 nan 8.240 nan 0.000 0.456 83 L N 5.192 126.346 121.223 -0.115 0.000 2.264 83 L HA 0.595 4.934 4.340 -0.002 0.000 0.289 83 L C -1.081 175.714 176.870 -0.124 0.000 1.044 83 L CA -0.449 54.328 54.840 -0.105 0.000 0.807 83 L CB 0.214 42.212 42.059 -0.101 0.000 1.192 83 L HN 0.474 nan 8.230 nan 0.000 0.425 84 I N 6.096 126.612 120.570 -0.090 0.000 2.359 84 I HA 0.423 4.593 4.170 -0.002 0.000 0.294 84 I C -0.353 175.710 176.117 -0.090 0.000 0.987 84 I CA 0.032 61.280 61.300 -0.087 0.000 1.225 84 I CB 1.340 39.322 38.000 -0.031 0.000 1.366 84 I HN 0.487 nan 8.210 nan 0.000 0.466 85 L N 6.472 127.622 121.223 -0.122 0.000 2.354 85 L HA 0.634 4.973 4.340 -0.002 0.000 0.269 85 L C -0.691 176.106 176.870 -0.121 0.000 1.005 85 L CA -0.733 54.031 54.840 -0.126 0.000 0.819 85 L CB 2.051 44.015 42.059 -0.158 0.000 1.311 85 L HN 0.368 nan 8.230 nan 0.000 0.423 86 I N 2.020 122.509 120.570 -0.135 0.000 2.410 86 I HA 0.229 4.398 4.170 -0.002 0.000 0.286 86 I C -0.591 175.424 176.117 -0.171 0.000 1.009 86 I CA -0.335 60.891 61.300 -0.123 0.000 1.111 86 I CB 1.489 39.431 38.000 -0.096 0.000 1.262 86 I HN 0.695 nan 8.210 nan 0.000 0.443 87 D N 5.362 125.670 120.400 -0.154 0.000 2.772 87 D HA -0.192 4.447 4.640 -0.002 0.000 0.233 87 D C 1.124 177.271 176.300 -0.254 0.000 1.143 87 D CA 1.605 55.497 54.000 -0.179 0.000 0.700 87 D CB -0.804 39.893 40.800 -0.171 0.000 1.076 87 D HN 1.151 nan 8.370 nan 0.000 0.430 88 G N -0.671 108.002 108.800 -0.211 0.000 2.176 88 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.253 88 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.253 88 G C 0.203 174.917 174.900 -0.310 0.000 0.979 88 G CA 0.646 45.627 45.100 -0.198 0.000 0.641 88 G HN 0.461 nan 8.290 nan 0.000 0.530 89 K N 1.250 121.411 120.400 -0.400 0.000 2.235 89 K HA 0.492 4.811 4.320 -0.002 0.000 0.266 89 K C -2.774 173.733 176.600 -0.154 0.000 0.980 89 K CA -2.128 53.905 56.287 -0.424 0.000 0.849 89 K CB 2.168 34.282 32.500 -0.642 0.000 1.098 89 K HN -0.007 nan 8.250 nan 0.000 0.445 90 P HA -0.040 nan 4.420 nan 0.000 0.266 90 P C -0.766 176.503 177.300 -0.053 0.000 1.195 90 P CA -0.254 62.842 63.100 -0.006 0.000 0.768 90 P CB 0.541 32.281 31.700 0.066 0.000 0.838 91 V N 3.208 123.079 119.914 -0.071 0.000 2.370 91 V HA 0.135 4.254 4.120 -0.002 0.000 0.283 91 V C 0.883 176.932 176.094 -0.074 0.000 1.023 91 V CA 0.337 62.569 62.300 -0.114 0.000 0.857 91 V CB 1.149 32.908 31.823 -0.108 0.000 0.985 91 V HN 0.521 nan 8.190 nan 0.000 0.443 92 S N 1.780 117.426 115.700 -0.091 0.000 2.524 92 S HA -0.042 4.427 4.470 -0.002 0.000 0.215 92 S C 1.993 176.564 174.600 -0.049 0.000 0.986 92 S CA 0.312 58.478 58.200 -0.057 0.000 0.911 92 S CB 0.345 63.515 63.200 -0.050 0.000 0.805 92 S HN 0.770 nan 8.310 nan 0.000 0.501 93 S N 2.745 118.390 115.700 -0.091 0.000 2.432 93 S HA -0.299 4.170 4.470 -0.002 0.000 0.243 93 S C 1.966 176.593 174.600 0.044 0.000 1.069 93 S CA 1.849 60.018 58.200 -0.052 0.000 1.047 93 S CB -0.386 62.751 63.200 -0.104 0.000 0.854 93 S HN 0.766 nan 8.310 nan 0.000 0.474 94 R N 1.633 122.168 120.500 0.059 0.000 2.241 94 R HA 0.036 4.375 4.340 -0.002 0.000 0.224 94 R C 1.003 177.324 176.300 0.035 0.000 1.101 94 R CA 1.412 57.545 56.100 0.055 0.000 0.995 94 R CB -0.484 29.836 30.300 0.032 0.000 0.870 94 R HN 0.285 nan 8.270 nan 0.000 0.463 95 N N 1.155 119.874 118.700 0.032 0.000 2.521 95 N HA -0.060 4.679 4.740 -0.002 0.000 0.188 95 N C 0.837 176.419 175.510 0.121 0.000 1.146 95 N CA 1.099 54.186 53.050 0.062 0.000 0.893 95 N CB 0.564 39.067 38.487 0.028 0.000 0.975 95 N HN 0.494 nan 8.380 nan 0.000 0.451 96 S N -1.350 114.405 115.700 0.090 0.000 2.524 96 S HA 0.129 4.598 4.470 -0.002 0.000 0.216 96 S C 0.662 175.338 174.600 0.127 0.000 0.987 96 S CA -0.302 57.963 58.200 0.109 0.000 0.909 96 S CB 0.295 63.536 63.200 0.068 0.000 0.781 96 S HN -0.134 nan 8.310 nan 0.000 0.521 97 V N 4.121 124.079 119.914 0.073 0.000 2.417 97 V HA 0.419 4.538 4.120 -0.002 0.000 0.291 97 V C 0.271 176.273 176.094 -0.152 0.000 1.024 97 V CA -1.229 61.077 62.300 0.011 0.000 0.861 97 V CB 1.375 33.210 31.823 0.020 0.000 0.985 97 V HN 0.518 nan 8.190 nan 0.000 0.436 98 R N 3.758 124.054 120.500 -0.341 0.000 2.643 98 R HA 0.381 4.720 4.340 -0.002 0.000 0.270 98 R C -0.238 175.838 176.300 -0.374 0.000 1.061 98 R CA -0.497 55.079 56.100 -0.874 0.000 1.107 98 R CB 0.845 30.655 30.300 -0.817 0.000 0.999 98 R HN 0.634 nan 8.270 nan 0.000 0.460 99 Q N 0.690 120.262 119.800 -0.380 0.000 2.293 99 Q HA 0.225 4.564 4.340 -0.002 0.000 0.251 99 Q C 0.282 176.378 176.000 0.160 0.000 0.930 99 Q CA -0.230 55.523 55.803 -0.084 0.000 0.893 99 Q CB 1.709 30.372 28.738 -0.124 0.000 1.215 99 Q HN 0.824 nan 8.270 nan 0.000 0.425 100 G N 0.603 109.531 108.800 0.215 0.000 2.580 100 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.278 100 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.278 100 G C 0.173 175.338 174.900 0.443 0.000 1.212 100 G CA -0.459 44.826 45.100 0.309 0.000 0.939 100 G HN 0.885 nan 8.290 nan 0.000 0.513 101 W N 0.187 121.589 121.300 0.172 0.000 2.305 101 W HA -0.091 4.568 4.660 -0.001 0.000 0.308 101 W C 1.447 178.004 176.519 0.062 0.000 1.226 101 W CA 1.113 58.472 57.345 0.024 0.000 1.253 101 W CB 0.186 29.607 29.460 -0.064 0.000 1.146 101 W HN 0.281 nan 8.180 nan 0.000 0.507 102 R N -0.210 120.535 120.500 0.409 0.000 2.480 102 R HA 0.180 4.519 4.340 -0.002 0.000 0.277 102 R C 1.447 177.882 176.300 0.225 0.000 1.008 102 R CA 0.588 56.861 56.100 0.289 0.000 1.090 102 R CB -0.620 29.809 30.300 0.214 0.000 1.234 102 R HN 0.284 nan 8.270 nan 0.000 0.549 103 G N 1.311 110.268 108.800 0.263 0.000 2.199 103 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.254 103 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.254 103 G C 0.189 175.159 174.900 0.116 0.000 0.982 103 G CA 0.423 45.630 45.100 0.178 0.000 0.632 103 G HN 0.473 nan 8.290 nan 0.000 0.529 104 E N 0.548 120.823 120.200 0.125 0.000 2.404 104 E HA 0.437 4.786 4.350 -0.002 0.000 0.261 104 E C 0.143 176.782 176.600 0.066 0.000 1.074 104 E CA -0.000 56.450 56.400 0.084 0.000 0.917 104 E CB 1.134 30.887 29.700 0.088 0.000 0.965 104 E HN 0.610 nan 8.360 nan 0.000 0.433 105 R N 1.744 122.265 120.500 0.035 0.000 2.510 105 R HA 0.150 4.489 4.340 -0.002 0.000 0.287 105 R C -1.342 174.966 176.300 0.012 0.000 1.084 105 R CA -0.437 55.672 56.100 0.014 0.000 0.934 105 R CB 1.097 31.392 30.300 -0.008 0.000 1.201 105 R HN 0.456 nan 8.270 nan 0.000 0.431 106 D N 2.822 123.234 120.400 0.021 0.000 2.982 106 D HA 0.052 4.691 4.640 -0.002 0.000 0.238 106 D C -0.283 176.026 176.300 0.014 0.000 1.168 106 D CA 0.783 54.798 54.000 0.024 0.000 0.947 106 D CB 0.458 41.286 40.800 0.048 0.000 1.147 106 D HN 0.524 nan 8.370 nan 0.000 0.450 107 T N -3.490 111.061 114.554 -0.004 0.000 2.910 107 T HA 0.429 4.778 4.350 -0.002 0.000 0.287 107 T C 0.921 175.587 174.700 -0.057 0.000 1.050 107 T CA -0.988 61.102 62.100 -0.017 0.000 1.011 107 T CB 1.721 70.592 68.868 0.005 0.000 1.195 107 T HN -0.054 nan 8.240 nan 0.000 0.540 108 R N 0.030 120.466 120.500 -0.106 0.000 2.393 108 R HA 0.466 4.805 4.340 -0.002 0.000 0.244 108 R C 1.077 177.276 176.300 -0.169 0.000 0.920 108 R CA 0.272 56.281 56.100 -0.152 0.000 1.076 108 R CB -0.073 30.093 30.300 -0.223 0.000 1.119 108 R HN 1.092 nan 8.270 nan 0.000 0.524 109 G N 1.069 109.796 108.800 -0.121 0.000 2.756 109 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.678 109 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.678 109 G C -0.466 174.365 174.900 -0.115 0.000 1.349 109 G CA -0.464 44.575 45.100 -0.101 0.000 0.847 109 G HN 0.218 nan 8.290 nan 0.000 0.548 110 D N -0.106 120.278 120.400 -0.026 0.000 2.369 110 D HA 0.110 4.749 4.640 -0.002 0.000 0.211 110 D C 2.174 178.483 176.300 0.015 0.000 1.077 110 D CA 1.115 55.190 54.000 0.124 0.000 0.842 110 D CB 0.226 41.169 40.800 0.238 0.000 0.947 110 D HN 0.729 nan 8.370 nan 0.000 0.509 111 T N -2.075 112.406 114.554 -0.122 0.000 3.278 111 T HA 0.132 4.481 4.350 -0.002 0.000 0.251 111 T C 0.968 175.544 174.700 -0.207 0.000 1.039 111 T CA -0.307 61.719 62.100 -0.123 0.000 0.935 111 T CB -0.071 68.723 68.868 -0.124 0.000 1.034 111 T HN -0.201 nan 8.240 nan 0.000 0.575 112 S N -0.585 114.885 115.700 -0.384 0.000 2.754 112 S HA 0.279 4.748 4.470 -0.002 0.000 0.247 112 S C 0.386 174.699 174.600 -0.478 0.000 1.031 112 S CA -0.995 56.958 58.200 -0.412 0.000 1.014 112 S CB -0.394 62.540 63.200 -0.444 0.000 0.918 112 S HN 0.690 nan 8.310 nan 0.000 0.519 113 W N 1.274 122.518 121.300 -0.093 0.000 2.523 113 W HA 0.224 4.883 4.660 -0.002 0.000 0.278 113 W C 0.400 176.883 176.519 -0.060 0.000 1.236 113 W CA -0.056 57.240 57.345 -0.081 0.000 1.306 113 W CB 0.065 29.476 29.460 -0.082 0.000 1.101 113 W HN -0.013 nan 8.180 nan 0.000 0.577 114 V N 2.608 122.590 119.914 0.113 0.000 2.406 114 V HA 0.214 4.333 4.120 -0.002 0.000 0.272 114 V C -1.998 174.042 176.094 -0.090 0.000 1.043 114 V CA -2.107 60.202 62.300 0.016 0.000 0.915 114 V CB 0.646 32.450 31.823 -0.031 0.000 0.988 114 V HN -0.314 nan 8.190 nan 0.000 0.466 115 P HA 0.113 nan 4.420 nan 0.000 0.264 115 P C -1.704 175.476 177.300 -0.199 0.000 1.193 115 P CA -1.004 62.000 63.100 -0.160 0.000 0.763 115 P CB 0.219 31.814 31.700 -0.175 0.000 0.810 116 P HA -0.210 nan 4.420 nan 0.000 0.216 116 P C 0.273 177.470 177.300 -0.173 0.000 1.154 116 P CA 1.589 64.579 63.100 -0.184 0.000 0.865 116 P CB 0.229 31.802 31.700 -0.212 0.000 0.789 120 E N 5.994 126.119 120.200 -0.126 0.000 2.060 120 E HA 0.114 4.463 4.350 -0.002 0.000 0.189 120 E C 0.226 176.765 176.600 -0.103 0.000 0.974 120 E CA 1.401 57.733 56.400 -0.113 0.000 0.808 120 E CB 0.478 30.115 29.700 -0.105 0.000 0.768 120 E HN 0.618 nan 8.360 nan 0.000 0.453 121 R N -1.350 119.089 120.500 -0.101 0.000 2.728 121 R HA 0.475 4.814 4.340 -0.002 0.000 0.274 121 R C -1.363 174.878 176.300 -0.098 0.000 1.032 121 R CA -0.737 55.306 56.100 -0.095 0.000 0.866 121 R CB 0.392 30.642 30.300 -0.084 0.000 1.263 121 R HN -0.025 nan 8.270 nan 0.000 0.475 122 I N 1.026 121.538 120.570 -0.097 0.000 2.466 122 I HA 0.334 4.503 4.170 -0.002 0.000 0.289 122 I C -0.685 175.372 176.117 -0.100 0.000 1.026 122 I CA -0.809 60.429 61.300 -0.103 0.000 1.078 122 I CB 2.260 40.196 38.000 -0.107 0.000 1.249 122 I HN 0.571 nan 8.210 nan 0.000 0.429 123 E N 5.396 125.531 120.200 -0.107 0.000 2.134 123 E HA 0.446 4.795 4.350 -0.002 0.000 0.278 123 E C -1.137 175.386 176.600 -0.129 0.000 0.959 123 E CA -0.587 55.749 56.400 -0.106 0.000 0.783 123 E CB 2.343 31.986 29.700 -0.095 0.000 1.095 123 E HN 0.267 nan 8.360 nan 0.000 0.399 124 V N 5.286 125.129 119.914 -0.119 0.000 2.334 124 V HA 0.248 4.367 4.120 -0.002 0.000 0.281 124 V C -0.536 175.481 176.094 -0.128 0.000 1.016 124 V CA -0.821 61.399 62.300 -0.134 0.000 0.832 124 V CB 0.567 32.315 31.823 -0.125 0.000 0.999 124 V HN 0.518 nan 8.190 nan 0.000 0.439 125 L N 5.720 126.855 121.223 -0.146 0.000 2.317 125 L HA 0.697 5.036 4.340 -0.002 0.000 0.281 125 L C 0.094 176.882 176.870 -0.137 0.000 1.024 125 L CA -0.378 54.392 54.840 -0.117 0.000 0.810 125 L CB 1.649 43.651 42.059 -0.095 0.000 1.240 125 L HN 0.632 nan 8.230 nan 0.000 0.427 126 R N 0.708 121.127 120.500 -0.135 0.000 2.744 126 R HA 0.694 5.033 4.340 -0.002 0.000 0.279 126 R C 0.389 176.588 176.300 -0.167 0.000 0.977 126 R CA -0.232 55.757 56.100 -0.185 0.000 0.906 126 R CB 2.133 32.280 30.300 -0.255 0.000 1.197 126 R HN 0.813 nan 8.270 nan 0.000 0.463 127 G N 2.903 111.591 108.800 -0.187 0.000 2.574 127 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.286 127 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.286 127 G C -1.274 173.585 174.900 -0.068 0.000 1.212 127 G CA 0.134 45.150 45.100 -0.140 0.000 0.979 127 G HN 0.525 nan 8.290 nan 0.000 0.557 128 P HA -0.098 nan 4.420 nan 0.000 0.217 128 P C 1.866 179.172 177.300 0.011 0.000 1.148 128 P CA 3.263 66.363 63.100 0.000 0.000 0.828 128 P CB -0.427 31.286 31.700 0.021 0.000 0.783 129 A N 0.280 123.103 122.820 0.005 0.000 1.968 129 A HA 0.082 4.401 4.320 -0.002 0.000 0.217 129 A C 2.469 180.099 177.584 0.077 0.000 1.169 129 A CA 1.674 53.729 52.037 0.031 0.000 0.638 129 A CB -1.305 17.706 19.000 0.019 0.000 0.812 129 A HN 0.248 nan 8.150 nan 0.000 0.446 130 A N -0.157 122.689 122.820 0.045 0.000 1.968 130 A HA 0.288 4.607 4.320 -0.002 0.000 0.217 130 A C 2.417 180.092 177.584 0.152 0.000 1.169 130 A CA 1.536 53.623 52.037 0.083 0.000 0.638 130 A CB -0.835 18.137 19.000 -0.046 0.000 0.812 130 A HN 0.968 nan 8.150 nan 0.000 0.446 131 A N 1.370 124.232 122.820 0.069 0.000 1.917 131 A HA -0.252 4.067 4.320 -0.002 0.000 0.219 131 A C 2.194 179.805 177.584 0.045 0.000 1.182 131 A CA 1.905 53.976 52.037 0.056 0.000 0.633 131 A CB -0.665 18.356 19.000 0.035 0.000 0.819 131 A HN 0.732 nan 8.150 nan 0.000 0.448 132 R N -1.863 118.633 120.500 -0.007 0.000 2.261 132 R HA -0.178 4.162 4.340 -0.002 0.000 0.236 132 R C 1.150 177.293 176.300 -0.262 0.000 1.141 132 R CA 1.792 57.800 56.100 -0.153 0.000 1.001 132 R CB -0.718 29.426 30.300 -0.259 0.000 0.866 132 R HN 0.528 nan 8.270 nan 0.000 0.468 133 Y N 1.338 121.575 120.300 -0.104 0.000 2.578 133 Y HA 0.135 4.684 4.550 -0.002 0.000 0.297 133 Y C 1.788 177.646 175.900 -0.070 0.000 1.176 133 Y CA 0.866 58.905 58.100 -0.102 0.000 1.315 133 Y CB 0.007 38.424 38.460 -0.072 0.000 1.031 133 Y HN 0.509 nan 8.280 nan 0.000 0.524 134 G N 0.594 109.428 108.800 0.057 0.000 2.525 134 G HA2 -0.383 3.576 3.960 -0.002 0.000 0.248 134 G HA3 -0.383 3.576 3.960 -0.002 0.000 0.248 134 G C -0.293 174.692 174.900 0.141 0.000 1.238 134 G CA -0.299 44.860 45.100 0.098 0.000 0.926 134 G HN 0.417 nan 8.290 nan 0.000 0.574 135 N N 2.126 120.929 118.700 0.172 0.000 2.315 135 N HA 0.423 5.162 4.740 -0.002 0.000 0.270 135 N C 1.493 176.974 175.510 -0.048 0.000 1.329 135 N CA 2.685 55.747 53.050 0.020 0.000 0.860 135 N CB -0.076 38.418 38.487 0.013 0.000 1.095 135 N HN 2.270 nan 8.380 nan 0.000 0.487 136 G N 1.974 110.710 108.800 -0.108 0.000 2.213 136 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.226 136 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.226 136 G C 0.578 175.434 174.900 -0.075 0.000 0.992 136 G CA 0.288 45.333 45.100 -0.092 0.000 0.632 136 G HN 1.005 nan 8.290 nan 0.000 0.511 137 A N 0.577 123.372 122.820 -0.043 0.000 2.359 137 A HA 0.763 5.082 4.320 -0.002 0.000 0.240 137 A C 2.247 179.786 177.584 -0.075 0.000 1.306 137 A CA 1.278 53.285 52.037 -0.050 0.000 0.898 137 A CB -0.531 18.476 19.000 0.012 0.000 0.956 137 A HN 1.725 nan 8.150 nan 0.000 0.497 138 A N -0.338 122.420 122.820 -0.103 0.000 1.986 138 A HA 0.047 4.366 4.320 -0.002 0.000 0.220 138 A C 2.123 179.577 177.584 -0.218 0.000 1.171 138 A CA 2.080 54.020 52.037 -0.161 0.000 0.640 138 A CB -0.667 18.192 19.000 -0.234 0.000 0.811 138 A HN 0.668 nan 8.150 nan 0.000 0.451 139 G N -1.920 106.755 108.800 -0.208 0.000 2.524 139 G HA2 0.449 4.408 3.960 -0.002 0.000 0.210 139 G HA3 0.449 4.408 3.960 -0.002 0.000 0.210 139 G C 0.650 175.432 174.900 -0.195 0.000 1.187 139 G CA 0.923 45.891 45.100 -0.220 0.000 0.825 139 G HN 1.393 nan 8.290 nan 0.000 0.558 140 G N -1.952 106.747 108.800 -0.169 0.000 2.349 140 G HA2 0.436 4.395 3.960 -0.002 0.000 0.294 140 G HA3 0.436 4.395 3.960 -0.002 0.000 0.294 140 G C -2.199 172.597 174.900 -0.172 0.000 1.380 140 G CA -0.258 44.743 45.100 -0.165 0.000 0.811 140 G HN 0.528 nan 8.290 nan 0.000 0.519 141 V N -0.061 119.727 119.914 -0.209 0.000 2.495 141 V HA 0.623 4.742 4.120 -0.002 0.000 0.298 141 V C -0.328 175.611 176.094 -0.258 0.000 1.031 141 V CA -0.676 61.454 62.300 -0.284 0.000 0.871 141 V CB 1.698 33.215 31.823 -0.510 0.000 0.988 141 V HN 0.662 nan 8.190 nan 0.000 0.432 142 V N 4.512 124.291 119.914 -0.225 0.000 2.313 142 V HA 0.403 4.523 4.120 -0.002 0.000 0.278 142 V C -0.145 175.832 176.094 -0.194 0.000 1.017 142 V CA -0.599 61.589 62.300 -0.186 0.000 0.823 142 V CB 1.452 33.187 31.823 -0.146 0.000 1.010 142 V HN 0.849 nan 8.190 nan 0.000 0.443 143 N N 5.562 124.139 118.700 -0.205 0.000 2.501 143 N HA 0.408 5.147 4.740 -0.002 0.000 0.245 143 N C -0.601 174.825 175.510 -0.139 0.000 0.974 143 N CA -0.403 52.534 53.050 -0.188 0.000 0.941 143 N CB 0.868 39.226 38.487 -0.216 0.000 1.122 143 N HN 0.594 nan 8.380 nan 0.000 0.507 144 I N 4.672 125.169 120.570 -0.121 0.000 2.337 144 I HA 0.234 4.403 4.170 -0.002 0.000 0.291 144 I C 0.246 176.300 176.117 -0.105 0.000 1.046 144 I CA -0.347 60.890 61.300 -0.106 0.000 1.324 144 I CB 0.510 38.458 38.000 -0.087 0.000 1.409 144 I HN 0.318 nan 8.210 nan 0.000 0.494 145 I N 6.135 126.643 120.570 -0.104 0.000 2.321 145 I HA 0.215 4.384 4.170 -0.002 0.000 0.291 145 I C 0.737 176.792 176.117 -0.103 0.000 0.998 145 I CA -0.493 60.747 61.300 -0.100 0.000 1.227 145 I CB 1.650 39.594 38.000 -0.093 0.000 1.368 145 I HN 0.573 nan 8.210 nan 0.000 0.466 146 T N 2.679 117.176 114.554 -0.095 0.000 2.899 146 T HA 0.336 4.685 4.350 -0.002 0.000 0.284 146 T C 0.042 174.681 174.700 -0.101 0.000 1.004 146 T CA -0.980 61.057 62.100 -0.104 0.000 1.043 146 T CB 0.995 69.823 68.868 -0.067 0.000 1.013 146 T HN 0.409 nan 8.240 nan 0.000 0.518 147 K N 2.123 122.449 120.400 -0.122 0.000 2.412 147 K HA 0.203 4.522 4.320 -0.002 0.000 0.281 147 K C 0.242 176.788 176.600 -0.091 0.000 1.027 147 K CA -0.445 55.772 56.287 -0.116 0.000 0.989 147 K CB 0.417 32.837 32.500 -0.135 0.000 0.935 147 K HN 0.401 nan 8.250 nan 0.000 0.475 148 K N 1.224 121.569 120.400 -0.092 0.000 2.118 148 K HA 0.325 4.644 4.320 -0.002 0.000 0.254 148 K C 0.335 176.875 176.600 -0.100 0.000 0.961 148 K CA -0.658 55.581 56.287 -0.078 0.000 0.876 148 K CB 1.770 34.227 32.500 -0.072 0.000 1.077 148 K HN 0.774 nan 8.250 nan 0.000 0.440 149 G N -0.258 108.484 108.800 -0.096 0.000 2.504 149 G HA2 0.223 4.182 3.960 -0.002 0.000 0.288 149 G HA3 0.223 4.182 3.960 -0.002 0.000 0.288 149 G C 0.562 175.397 174.900 -0.109 0.000 1.182 149 G CA -0.410 44.616 45.100 -0.123 0.000 0.894 149 G HN 0.531 nan 8.290 nan 0.000 0.521 150 S N -1.404 114.241 115.700 -0.092 0.000 2.559 150 S HA 0.406 4.875 4.470 -0.002 0.000 0.226 150 S C 1.570 176.138 174.600 -0.055 0.000 1.000 150 S CA 0.844 59.005 58.200 -0.065 0.000 0.948 150 S CB 0.498 63.667 63.200 -0.051 0.000 0.870 150 S HN 2.235 nan 8.310 nan 0.000 0.497 151 G N 1.348 110.091 108.800 -0.096 0.000 2.218 151 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.216 151 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.216 151 G C -0.223 174.583 174.900 -0.156 0.000 0.994 151 G CA 0.033 45.066 45.100 -0.112 0.000 0.637 151 G HN 0.785 nan 8.290 nan 0.000 0.505 152 E N -0.694 119.443 120.200 -0.105 0.000 2.299 152 E HA 0.591 4.940 4.350 -0.002 0.000 0.260 152 E C -0.653 175.830 176.600 -0.194 0.000 0.944 152 E CA -1.581 54.744 56.400 -0.124 0.000 0.815 152 E CB 1.039 30.760 29.700 0.034 0.000 1.252 152 E HN 0.246 nan 8.360 nan 0.000 0.418 153 W N 1.139 122.408 121.300 -0.051 0.000 2.308 153 W HA 0.195 4.854 4.660 -0.002 0.000 0.324 153 W C 0.417 176.727 176.519 -0.349 0.000 1.387 153 W CA 0.523 57.850 57.345 -0.030 0.000 1.250 153 W CB 0.402 29.955 29.460 0.156 0.000 1.257 153 W HN 0.319 nan 8.180 nan 0.000 0.554 154 H N 0.701 119.795 119.070 0.039 0.000 3.037 154 H HA 0.633 5.188 4.556 -0.002 0.000 0.355 154 H C -0.033 174.806 175.328 -0.815 0.000 1.263 154 H CA -0.743 54.968 56.048 -0.562 0.000 1.129 154 H CB 1.935 31.527 29.762 -0.284 0.000 1.861 154 H HN 0.576 nan 8.280 nan 0.000 0.546 155 G N -0.017 108.089 108.800 -1.157 0.000 2.576 155 G HA2 0.496 4.455 3.960 -0.002 0.000 0.290 155 G HA3 0.496 4.455 3.960 -0.002 0.000 0.290 155 G C -1.481 173.370 174.900 -0.082 0.000 1.442 155 G CA -0.330 44.507 45.100 -0.439 0.000 0.792 155 G HN 0.696 nan 8.290 nan 0.000 0.491 156 S N -1.231 114.583 115.700 0.191 0.000 2.556 156 S HA 0.753 5.222 4.470 -0.002 0.000 0.271 156 S C -2.143 172.732 174.600 0.458 0.000 1.135 156 S CA -0.760 57.619 58.200 0.298 0.000 0.858 156 S CB 2.543 65.866 63.200 0.204 0.000 1.114 156 S HN 1.421 nan 8.310 nan 0.000 0.468 157 W N 2.734 124.155 121.300 0.202 0.000 2.728 157 W HA 0.588 5.247 4.660 -0.002 0.000 0.324 157 W C -2.072 174.532 176.519 0.141 0.000 1.012 157 W CA -0.977 56.489 57.345 0.200 0.000 1.279 157 W CB 0.997 30.566 29.460 0.182 0.000 1.289 157 W HN 0.810 nan 8.180 nan 0.000 0.418 158 D N 3.408 123.982 120.400 0.289 0.000 2.423 158 D HA 0.828 5.467 4.640 -0.002 0.000 0.235 158 D C -0.887 175.456 176.300 0.073 0.000 1.011 158 D CA -0.488 53.566 54.000 0.090 0.000 0.963 158 D CB 2.161 43.032 40.800 0.119 0.000 1.349 158 D HN 0.337 nan 8.370 nan 0.000 0.508 159 A N 0.404 123.252 122.820 0.048 0.000 2.572 159 A HA 0.678 4.997 4.320 -0.002 0.000 0.295 159 A C -2.036 175.664 177.584 0.193 0.000 1.072 159 A CA -0.716 51.389 52.037 0.113 0.000 0.691 159 A CB 1.833 20.858 19.000 0.042 0.000 1.291 159 A HN 0.554 nan 8.150 nan 0.000 0.404 160 Y N 0.689 121.047 120.300 0.095 0.000 2.581 160 Y HA 0.710 5.259 4.550 -0.002 0.000 0.337 160 Y C -1.719 174.278 175.900 0.162 0.000 1.108 160 Y CA -1.353 56.778 58.100 0.052 0.000 1.033 160 Y CB 1.782 40.238 38.460 -0.007 0.000 1.318 160 Y HN 1.482 nan 8.280 nan 0.000 0.459 161 F N 3.241 122.613 119.950 -0.964 0.000 2.703 161 F HA 0.636 5.162 4.527 -0.002 0.000 0.308 161 F C -2.040 173.378 175.800 -0.637 0.000 1.126 161 F CA -0.931 56.714 58.000 -0.591 0.000 0.959 161 F CB 0.751 39.636 39.000 -0.192 0.000 1.297 161 F HN 0.586 nan 8.300 nan 0.000 0.441 162 N N 1.636 120.238 118.700 -0.164 0.000 2.890 162 N HA 0.877 5.616 4.740 -0.002 0.000 0.317 162 N C -1.697 173.948 175.510 0.225 0.000 1.355 162 N CA -0.666 52.364 53.050 -0.033 0.000 0.803 162 N CB 1.772 40.315 38.487 0.093 0.000 1.465 162 N HN 1.338 nan 8.380 nan 0.000 0.591 163 A N -0.632 122.320 122.820 0.220 0.000 2.626 163 A HA 0.494 4.813 4.320 -0.002 0.000 0.293 163 A C -3.039 174.692 177.584 0.244 0.000 1.111 163 A CA -0.903 51.284 52.037 0.249 0.000 0.874 163 A CB 0.575 19.755 19.000 0.299 0.000 1.451 163 A HN 0.548 nan 8.150 nan 0.000 0.396 164 P HA 0.149 nan 4.420 nan 0.000 0.268 164 P C 0.718 178.102 177.300 0.140 0.000 1.204 164 P CA 0.244 63.432 63.100 0.146 0.000 0.768 164 P CB 0.799 32.576 31.700 0.129 0.000 0.842 165 E N 1.173 121.427 120.200 0.089 0.000 2.152 165 E HA -0.113 4.236 4.350 -0.002 0.000 0.192 165 E C 0.136 176.645 176.600 -0.152 0.000 0.983 165 E CA 0.913 57.293 56.400 -0.033 0.000 0.818 165 E CB -0.074 29.548 29.700 -0.129 0.000 0.758 165 E HN 0.610 nan 8.360 nan 0.000 0.467 166 H N 1.268 120.395 119.070 0.095 0.000 2.741 166 H HA 0.102 4.657 4.556 -0.002 0.000 0.282 166 H C 1.048 176.416 175.328 0.067 0.000 1.122 166 H CA -0.093 56.002 56.048 0.079 0.000 1.293 166 H CB 1.091 30.900 29.762 0.078 0.000 1.415 166 H HN -0.005 nan 8.280 nan 0.000 0.472 167 K N 3.242 123.728 120.400 0.143 0.000 2.160 167 K HA -0.197 4.122 4.320 -0.002 0.000 0.206 167 K C 0.591 177.251 176.600 0.100 0.000 1.047 167 K CA 1.321 57.673 56.287 0.109 0.000 0.930 167 K CB 0.354 32.903 32.500 0.080 0.000 0.720 167 K HN 0.468 nan 8.250 nan 0.000 0.450 168 E N 1.113 121.370 120.200 0.095 0.000 2.279 168 E HA -0.186 4.163 4.350 -0.002 0.000 0.205 168 E C -0.032 176.607 176.600 0.065 0.000 1.028 168 E CA 1.174 57.607 56.400 0.055 0.000 0.830 168 E CB -0.205 29.523 29.700 0.047 0.000 0.736 168 E HN 0.454 nan 8.360 nan 0.000 0.478 169 E N 0.517 120.767 120.200 0.084 0.000 2.194 169 E HA 0.330 4.679 4.350 -0.002 0.000 0.284 169 E C 0.210 176.858 176.600 0.080 0.000 1.035 169 E CA -0.310 56.132 56.400 0.070 0.000 0.836 169 E CB 1.082 30.825 29.700 0.071 0.000 1.070 169 E HN 0.204 nan 8.360 nan 0.000 0.401 170 G N 2.250 111.093 108.800 0.072 0.000 2.398 170 G HA2 0.338 4.297 3.960 -0.002 0.000 0.246 170 G HA3 0.338 4.297 3.960 -0.002 0.000 0.246 170 G C -0.194 174.755 174.900 0.082 0.000 1.289 170 G CA -0.306 44.840 45.100 0.077 0.000 0.869 170 G HN 0.544 nan 8.290 nan 0.000 0.543 171 A N 2.037 124.913 122.820 0.093 0.000 2.264 171 A HA 0.846 5.165 4.320 -0.002 0.000 0.304 171 A C 0.440 178.093 177.584 0.116 0.000 1.100 171 A CA -0.395 51.711 52.037 0.114 0.000 0.839 171 A CB 1.136 20.211 19.000 0.126 0.000 1.121 171 A HN 0.690 nan 8.150 nan 0.000 0.496 172 T N 1.437 116.086 114.554 0.157 0.000 2.841 172 T HA 0.548 4.897 4.350 -0.002 0.000 0.283 172 T C -0.707 174.135 174.700 0.237 0.000 1.000 172 T CA -0.544 61.667 62.100 0.185 0.000 0.977 172 T CB 1.207 70.212 68.868 0.229 0.000 0.979 172 T HN 0.593 nan 8.240 nan 0.000 0.446 173 K N 1.913 122.440 120.400 0.211 0.000 2.371 173 K HA 0.719 5.038 4.320 -0.002 0.000 0.251 173 K C -0.622 176.118 176.600 0.232 0.000 0.934 173 K CA -0.978 55.450 56.287 0.234 0.000 0.798 173 K CB 2.901 35.491 32.500 0.150 0.000 1.204 173 K HN 0.439 nan 8.250 nan 0.000 0.427 174 R N 0.994 121.664 120.500 0.283 0.000 2.668 174 R HA 0.454 4.793 4.340 -0.002 0.000 0.272 174 R C -1.758 174.669 176.300 0.211 0.000 1.019 174 R CA -0.367 55.861 56.100 0.213 0.000 0.894 174 R CB 2.459 32.863 30.300 0.173 0.000 1.228 174 R HN 0.640 nan 8.270 nan 0.000 0.460 175 T N 2.109 116.777 114.554 0.191 0.000 3.041 175 T HA 0.510 4.859 4.350 -0.002 0.000 0.321 175 T C -1.997 172.862 174.700 0.266 0.000 1.184 175 T CA -0.714 61.526 62.100 0.234 0.000 1.050 175 T CB 0.980 70.005 68.868 0.261 0.000 1.159 175 T HN 0.840 nan 8.240 nan 0.000 0.469 176 N N 1.844 120.738 118.700 0.323 0.000 2.825 176 N HA 0.782 5.521 4.740 -0.002 0.000 0.253 176 N C -1.422 174.359 175.510 0.451 0.000 1.426 176 N CA -1.020 52.214 53.050 0.306 0.000 0.851 176 N CB 1.078 39.636 38.487 0.119 0.000 1.470 176 N HN 0.606 nan 8.380 nan 0.000 0.517 177 F N -2.043 118.056 119.950 0.248 0.000 2.645 177 F HA 0.916 5.442 4.527 -0.002 0.000 0.310 177 F C -1.109 174.816 175.800 0.208 0.000 1.102 177 F CA -0.822 57.310 58.000 0.221 0.000 0.952 177 F CB 1.841 40.892 39.000 0.085 0.000 1.326 177 F HN 0.779 nan 8.300 nan 0.000 0.456 178 S N 2.473 118.303 115.700 0.216 0.000 2.556 178 S HA 0.859 5.328 4.470 -0.002 0.000 0.271 178 S C -2.104 172.696 174.600 0.333 0.000 1.135 178 S CA -0.696 57.585 58.200 0.135 0.000 0.858 178 S CB 1.950 65.186 63.200 0.060 0.000 1.114 178 S HN 1.342 nan 8.310 nan 0.000 0.468 179 L N 1.153 122.568 121.223 0.319 0.000 2.455 179 L HA 0.886 5.225 4.340 -0.002 0.000 0.264 179 L C -0.731 176.192 176.870 0.088 0.000 0.968 179 L CA 0.320 55.356 54.840 0.328 0.000 0.827 179 L CB 2.162 44.553 42.059 0.553 0.000 1.317 179 L HN 1.086 nan 8.230 nan 0.000 0.407 180 T N 2.337 116.834 114.554 -0.095 0.000 2.868 180 T HA 0.929 5.278 4.350 -0.002 0.000 0.306 180 T C -0.812 173.486 174.700 -0.669 0.000 1.224 180 T CA 0.062 61.794 62.100 -0.613 0.000 1.012 180 T CB 1.571 70.229 68.868 -0.350 0.000 1.221 180 T HN 1.206 nan 8.240 nan 0.000 0.499 181 G N 2.353 110.466 108.800 -1.146 0.000 2.320 181 G HA2 0.537 4.496 3.960 -0.002 0.000 0.296 181 G HA3 0.537 4.496 3.960 -0.002 0.000 0.296 181 G C -3.378 171.059 174.900 -0.773 0.000 1.306 181 G CA -0.764 43.661 45.100 -1.125 0.000 0.836 181 G HN 0.623 nan 8.290 nan 0.000 0.517 182 P HA 0.326 nan 4.420 nan 0.000 0.271 182 P C -0.465 176.827 177.300 -0.014 0.000 1.218 182 P CA -0.029 62.928 63.100 -0.238 0.000 0.780 182 P CB 1.976 33.562 31.700 -0.190 0.000 0.901 183 L N 1.787 123.092 121.223 0.136 0.000 3.025 183 L HA 0.517 4.856 4.340 -0.002 0.000 0.307 183 L C 0.344 177.290 176.870 0.126 0.000 1.303 183 L CA 0.508 55.451 54.840 0.170 0.000 0.817 183 L CB 0.050 42.258 42.059 0.248 0.000 1.227 183 L HN 0.841 nan 8.230 nan 0.000 0.571 184 G N -0.538 108.336 108.800 0.123 0.000 2.255 184 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.216 184 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.216 184 G C -0.277 174.716 174.900 0.156 0.000 1.307 184 G CA 0.054 45.223 45.100 0.116 0.000 1.162 184 G HN 0.065 nan 8.290 nan 0.000 0.494 185 D N 0.293 120.809 120.400 0.194 0.000 2.232 185 D HA 0.164 4.804 4.640 -0.002 0.000 0.220 185 D C 2.039 178.447 176.300 0.181 0.000 0.982 185 D CA 1.429 55.530 54.000 0.169 0.000 0.892 185 D CB 0.049 40.940 40.800 0.152 0.000 1.040 185 D HN 0.521 nan 8.370 nan 0.000 0.463 186 E N -1.077 119.268 120.200 0.242 0.000 2.465 186 E HA 0.152 4.501 4.350 -0.002 0.000 0.195 186 E C -0.471 176.079 176.600 -0.083 0.000 1.028 186 E CA -0.216 56.250 56.400 0.111 0.000 0.899 186 E CB 0.445 30.268 29.700 0.205 0.000 1.032 186 E HN 0.125 nan 8.360 nan 0.000 0.468 187 F N 0.411 120.419 119.950 0.097 0.000 2.575 187 F HA 0.473 4.999 4.527 -0.002 0.000 0.330 187 F C 0.579 176.422 175.800 0.073 0.000 1.056 187 F CA -0.910 57.146 58.000 0.092 0.000 0.964 187 F CB 1.772 40.779 39.000 0.011 0.000 1.258 187 F HN -0.225 nan 8.300 nan 0.000 0.484 188 S N 0.745 116.624 115.700 0.299 0.000 2.615 188 S HA 0.856 5.325 4.470 -0.002 0.000 0.269 188 S C -1.465 173.288 174.600 0.255 0.000 1.161 188 S CA -0.867 57.438 58.200 0.176 0.000 0.817 188 S CB 2.151 65.350 63.200 -0.003 0.000 1.131 188 S HN 0.774 nan 8.310 nan 0.000 0.467 189 F N -0.954 119.006 119.950 0.018 0.000 2.643 189 F HA 0.890 5.416 4.527 -0.002 0.000 0.314 189 F C -0.821 175.000 175.800 0.035 0.000 1.096 189 F CA -1.049 56.979 58.000 0.046 0.000 0.953 189 F CB 1.522 40.555 39.000 0.055 0.000 1.345 189 F HN 0.973 nan 8.300 nan 0.000 0.468 190 R N 2.205 122.714 120.500 0.014 0.000 2.651 190 R HA 0.807 5.146 4.340 -0.002 0.000 0.278 190 R C -2.581 173.842 176.300 0.206 0.000 1.010 190 R CA -0.914 55.162 56.100 -0.039 0.000 0.896 190 R CB 2.300 32.598 30.300 -0.004 0.000 1.211 190 R HN 0.966 nan 8.270 nan 0.000 0.456 191 L N 4.755 126.117 121.223 0.232 0.000 2.464 191 L HA 0.560 4.899 4.340 -0.002 0.000 0.266 191 L C -1.983 174.949 176.870 0.103 0.000 0.965 191 L CA -0.539 54.431 54.840 0.217 0.000 0.833 191 L CB 1.845 44.156 42.059 0.419 0.000 1.296 191 L HN 0.669 nan 8.230 nan 0.000 0.405 192 Y N 2.279 122.500 120.300 -0.132 0.000 2.562 192 Y HA 0.967 5.516 4.550 -0.002 0.000 0.345 192 Y C -0.543 175.007 175.900 -0.583 0.000 1.045 192 Y CA -1.051 56.749 58.100 -0.499 0.000 1.028 192 Y CB 1.629 39.907 38.460 -0.303 0.000 1.297 192 Y HN 0.752 nan 8.280 nan 0.000 0.463 193 G N 1.696 109.991 108.800 -0.841 0.000 2.620 193 G HA2 0.488 4.447 3.960 -0.002 0.000 0.301 193 G HA3 0.488 4.447 3.960 -0.002 0.000 0.301 193 G C -2.237 172.638 174.900 -0.042 0.000 1.347 193 G CA -1.171 43.748 45.100 -0.302 0.000 0.971 193 G HN 0.911 nan 8.290 nan 0.000 0.488 194 N N -0.026 118.739 118.700 0.108 0.000 2.264 194 N HA 0.666 5.405 4.740 -0.002 0.000 0.288 194 N C -1.380 174.204 175.510 0.123 0.000 1.094 194 N CA -0.660 52.464 53.050 0.124 0.000 0.817 194 N CB 1.905 40.452 38.487 0.100 0.000 1.604 194 N HN 0.376 nan 8.380 nan 0.000 0.473 195 L N 2.153 123.454 121.223 0.130 0.000 2.439 195 L HA 0.521 4.860 4.340 -0.002 0.000 0.270 195 L C -1.456 175.471 176.870 0.096 0.000 0.972 195 L CA -0.850 54.056 54.840 0.110 0.000 0.836 195 L CB 1.759 43.899 42.059 0.134 0.000 1.255 195 L HN 0.758 nan 8.230 nan 0.000 0.404 196 D N 1.541 121.977 120.400 0.060 0.000 2.661 196 D HA 0.571 5.210 4.640 -0.002 0.000 0.228 196 D C -1.125 175.199 176.300 0.040 0.000 1.183 196 D CA -0.837 53.199 54.000 0.059 0.000 0.844 196 D CB 2.416 43.236 40.800 0.033 0.000 1.555 196 D HN 0.318 nan 8.370 nan 0.000 0.453 197 K N 0.605 121.039 120.400 0.057 0.000 2.513 197 K HA 0.564 4.883 4.320 -0.002 0.000 0.251 197 K C -1.642 174.989 176.600 0.052 0.000 0.939 197 K CA -0.548 55.765 56.287 0.043 0.000 0.793 197 K CB 2.067 34.597 32.500 0.050 0.000 1.241 197 K HN 0.549 nan 8.250 nan 0.000 0.431 198 T N 3.723 118.293 114.554 0.027 0.000 2.809 198 T HA 0.215 4.564 4.350 -0.002 0.000 0.284 198 T C -0.806 173.911 174.700 0.027 0.000 0.992 198 T CA -0.733 61.388 62.100 0.036 0.000 0.957 198 T CB 1.430 70.307 68.868 0.014 0.000 0.942 198 T HN 0.453 nan 8.240 nan 0.000 0.439 199 Q N 1.654 121.481 119.800 0.045 0.000 2.432 199 Q HA 0.462 4.801 4.340 -0.002 0.000 0.264 199 Q C 0.303 176.325 176.000 0.037 0.000 1.035 199 Q CA -0.158 55.672 55.803 0.044 0.000 0.908 199 Q CB 0.456 29.234 28.738 0.068 0.000 1.280 199 Q HN 0.842 nan 8.270 nan 0.000 0.455 200 A N 2.340 125.177 122.820 0.029 0.000 2.322 200 A HA 0.231 4.550 4.320 -0.002 0.000 0.269 200 A C -0.196 177.457 177.584 0.116 0.000 1.094 200 A CA -0.580 51.476 52.037 0.033 0.000 0.807 200 A CB 0.319 19.285 19.000 -0.058 0.000 1.047 200 A HN 0.595 nan 8.150 nan 0.000 0.487 201 D N 0.795 121.265 120.400 0.117 0.000 2.382 201 D HA 0.388 5.027 4.640 -0.002 0.000 0.240 201 D C 0.790 177.224 176.300 0.222 0.000 1.146 201 D CA 0.895 54.971 54.000 0.127 0.000 0.897 201 D CB 0.745 41.591 40.800 0.076 0.000 1.197 201 D HN 0.746 nan 8.370 nan 0.000 0.432 202 A N 2.361 125.252 122.820 0.118 0.000 2.587 202 A HA -0.065 4.254 4.320 -0.002 0.000 0.235 202 A C 1.501 179.001 177.584 -0.141 0.000 1.044 202 A CA -0.239 51.792 52.037 -0.011 0.000 0.754 202 A CB -0.185 18.733 19.000 -0.138 0.000 0.968 202 A HN 0.811 nan 8.150 nan 0.000 0.509 203 W N 2.469 123.524 121.300 -0.408 0.000 2.392 203 W HA -0.097 4.562 4.660 -0.001 0.000 0.279 203 W C -0.193 176.224 176.519 -0.169 0.000 1.225 203 W CA 1.137 58.217 57.345 -0.443 0.000 1.233 203 W CB -0.398 28.563 29.460 -0.831 0.000 1.122 203 W HN 0.747 nan 8.180 nan 0.000 0.561 204 D N 0.885 120.538 120.400 -1.245 0.000 2.615 204 D HA 0.016 4.655 4.640 -0.002 0.000 0.236 204 D C 1.546 177.571 176.300 -0.458 0.000 1.233 204 D CA -0.365 52.994 54.000 -1.069 0.000 0.829 204 D CB -0.912 38.697 40.800 -1.985 0.000 1.024 204 D HN 0.318 nan 8.370 nan 0.000 0.490 205 I N 0.172 120.599 120.570 -0.239 0.000 2.286 205 I HA -0.216 3.953 4.170 -0.002 0.000 0.248 205 I C 0.706 176.869 176.117 0.077 0.000 1.115 205 I CA 1.036 62.306 61.300 -0.050 0.000 1.392 205 I CB 0.164 38.178 38.000 0.023 0.000 1.065 205 I HN -0.123 nan 8.210 nan 0.000 0.418 206 N N 1.340 120.080 118.700 0.067 0.000 2.383 206 N HA -0.039 4.700 4.740 -0.002 0.000 0.192 206 N C 0.184 175.737 175.510 0.071 0.000 1.141 206 N CA 0.047 53.174 53.050 0.129 0.000 0.851 206 N CB -0.179 38.386 38.487 0.129 0.000 0.976 206 N HN 0.443 nan 8.380 nan 0.000 0.465 207 Q N 0.492 120.277 119.800 -0.026 0.000 2.255 207 Q HA 0.293 4.632 4.340 -0.002 0.000 0.280 207 Q C 0.979 176.874 176.000 -0.175 0.000 1.068 207 Q CA 1.018 56.766 55.803 -0.092 0.000 0.911 207 Q CB -0.156 28.488 28.738 -0.158 0.000 1.157 207 Q HN 0.409 nan 8.270 nan 0.000 0.380 208 G N 3.840 112.485 108.800 -0.258 0.000 2.163 208 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.213 208 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.213 208 G C 0.282 174.688 174.900 -0.824 0.000 0.991 208 G CA 0.181 44.978 45.100 -0.505 0.000 0.653 208 G HN 0.786 nan 8.290 nan 0.000 0.518 209 H N -0.363 118.541 119.070 -0.277 0.000 3.680 209 H HA 0.089 4.644 4.556 -0.002 0.000 0.260 209 H C 1.223 176.463 175.328 -0.145 0.000 1.183 209 H CA 0.439 56.322 56.048 -0.274 0.000 1.159 209 H CB 0.459 30.004 29.762 -0.362 0.000 1.567 209 H HN 0.698 nan 8.280 nan 0.000 0.648 210 Q N 2.602 122.394 119.800 -0.014 0.000 2.392 210 Q HA 0.117 4.456 4.340 -0.002 0.000 0.262 210 Q C 0.413 176.401 176.000 -0.020 0.000 1.003 210 Q CA -0.022 55.782 55.803 0.001 0.000 0.888 210 Q CB 1.038 29.778 28.738 0.004 0.000 1.260 210 Q HN 0.179 nan 8.270 nan 0.000 0.435 211 S N 0.936 116.635 115.700 -0.002 0.000 2.580 211 S HA 0.433 4.902 4.470 -0.002 0.000 0.266 211 S C 0.234 174.847 174.600 0.023 0.000 1.354 211 S CA -0.308 57.894 58.200 0.004 0.000 1.008 211 S CB 0.424 63.639 63.200 0.024 0.000 0.898 211 S HN 0.900 nan 8.310 nan 0.000 0.555 212 A N 1.984 124.839 122.820 0.057 0.000 2.511 212 A HA 0.514 4.833 4.320 -0.002 0.000 0.242 212 A C 0.728 178.399 177.584 0.145 0.000 1.069 212 A CA -0.525 51.578 52.037 0.109 0.000 0.763 212 A CB -0.238 18.863 19.000 0.169 0.000 1.001 212 A HN 0.956 nan 8.150 nan 0.000 0.498 213 R N 0.721 121.209 120.500 -0.021 0.000 2.764 213 R HA 0.867 5.206 4.340 -0.002 0.000 0.270 213 R C -0.804 175.229 176.300 -0.445 0.000 1.014 213 R CA -0.338 55.596 56.100 -0.276 0.000 0.904 213 R CB 1.531 31.776 30.300 -0.091 0.000 1.236 213 R HN 1.474 nan 8.270 nan 0.000 0.466 214 A N -0.213 122.232 122.820 -0.624 0.000 2.536 214 A HA 0.775 5.095 4.320 -0.002 0.000 0.293 214 A C 0.284 177.699 177.584 -0.282 0.000 1.119 214 A CA -0.153 51.636 52.037 -0.412 0.000 0.654 214 A CB 0.643 19.380 19.000 -0.439 0.000 1.291 214 A HN 1.540 nan 8.150 nan 0.000 0.439 215 G N -0.124 108.566 108.800 -0.183 0.000 2.591 215 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.298 215 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.298 215 G C 1.388 176.153 174.900 -0.226 0.000 1.195 215 G CA 1.925 46.922 45.100 -0.171 0.000 0.989 215 G HN 2.532 nan 8.290 nan 0.000 0.551 216 T N -2.093 112.239 114.554 -0.371 0.000 3.098 216 T HA 0.123 4.472 4.350 -0.002 0.000 0.266 216 T C 1.712 176.134 174.700 -0.465 0.000 1.145 216 T CA 2.110 63.947 62.100 -0.438 0.000 1.092 216 T CB -0.251 68.295 68.868 -0.538 0.000 0.908 216 T HN 0.649 nan 8.240 nan 0.000 0.526 217 Y N -0.140 120.100 120.300 -0.101 0.000 2.467 217 Y HA 0.616 5.166 4.550 -0.001 0.000 0.250 217 Y C 2.579 178.419 175.900 -0.099 0.000 1.155 217 Y CA -0.422 57.621 58.100 -0.095 0.000 1.249 217 Y CB 0.098 38.486 38.460 -0.120 0.000 1.146 217 Y HN 0.283 nan 8.280 nan 0.000 0.524 218 A N 0.338 123.158 122.820 -0.000 0.000 2.019 218 A HA -0.189 4.130 4.320 -0.002 0.000 0.219 218 A C 2.085 179.674 177.584 0.007 0.000 1.164 218 A CA 2.141 54.164 52.037 -0.022 0.000 0.644 218 A CB -0.956 18.009 19.000 -0.057 0.000 0.805 218 A HN 0.402 nan 8.150 nan 0.000 0.449 219 T N -2.115 112.450 114.554 0.020 0.000 3.144 219 T HA 0.203 4.552 4.350 -0.002 0.000 0.249 219 T C 0.702 175.439 174.700 0.062 0.000 1.089 219 T CA 0.540 62.660 62.100 0.033 0.000 0.989 219 T CB -0.897 67.979 68.868 0.013 0.000 0.992 219 T HN 0.532 nan 8.240 nan 0.000 0.540 220 T N 0.851 115.451 114.554 0.076 0.000 2.909 220 T HA 0.698 5.047 4.350 -0.002 0.000 0.286 220 T C -0.434 174.316 174.700 0.083 0.000 1.002 220 T CA -0.869 61.286 62.100 0.093 0.000 1.074 220 T CB 1.028 69.965 68.868 0.115 0.000 0.984 220 T HN 0.287 nan 8.240 nan 0.000 0.495 221 L N 2.458 123.742 121.223 0.101 0.000 2.393 221 L HA 0.520 4.859 4.340 -0.002 0.000 0.260 221 L C -2.691 174.232 176.870 0.088 0.000 1.002 221 L CA -2.914 51.984 54.840 0.097 0.000 0.818 221 L CB 2.916 45.061 42.059 0.142 0.000 1.369 221 L HN 0.454 nan 8.230 nan 0.000 0.412 222 P HA 0.164 nan 4.420 nan 0.000 0.276 222 P C -0.886 176.459 177.300 0.076 0.000 1.235 222 P CA -0.124 63.014 63.100 0.063 0.000 0.772 222 P CB 1.020 32.757 31.700 0.061 0.000 0.871 223 A N 3.565 126.424 122.820 0.066 0.000 2.304 223 A HA 0.630 4.949 4.320 -0.002 0.000 0.271 223 A C 0.981 178.598 177.584 0.055 0.000 1.091 223 A CA 0.138 52.217 52.037 0.070 0.000 0.812 223 A CB -0.088 18.933 19.000 0.035 0.000 1.056 223 A HN 0.569 nan 8.150 nan 0.000 0.489 224 G N -0.004 108.835 108.800 0.064 0.000 2.504 224 G HA2 0.472 4.431 3.960 -0.002 0.000 0.257 224 G HA3 0.472 4.431 3.960 -0.002 0.000 0.257 224 G C -0.063 174.853 174.900 0.026 0.000 1.451 224 G CA -0.795 44.333 45.100 0.046 0.000 1.059 224 G HN 0.807 nan 8.290 nan 0.000 0.550 225 R N 0.412 120.922 120.500 0.017 0.000 2.490 225 R HA 0.304 4.643 4.340 -0.002 0.000 0.280 225 R C 0.226 176.517 176.300 -0.016 0.000 1.077 225 R CA 0.036 56.133 56.100 -0.005 0.000 1.065 225 R CB 0.769 31.064 30.300 -0.009 0.000 1.003 225 R HN 0.509 nan 8.270 nan 0.000 0.470 226 E N 0.364 120.534 120.200 -0.050 0.000 2.349 226 E HA 0.218 4.567 4.350 -0.002 0.000 0.262 226 E C 0.381 176.949 176.600 -0.053 0.000 1.088 226 E CA -0.435 55.920 56.400 -0.075 0.000 0.899 226 E CB 0.977 30.613 29.700 -0.107 0.000 1.044 226 E HN 0.688 nan 8.360 nan 0.000 0.420 227 G N 0.039 108.806 108.800 -0.056 0.000 2.557 227 G HA2 0.457 4.416 3.960 -0.002 0.000 0.292 227 G HA3 0.457 4.416 3.960 -0.002 0.000 0.292 227 G C -0.961 173.910 174.900 -0.047 0.000 1.237 227 G CA -0.334 44.742 45.100 -0.039 0.000 0.978 227 G HN 0.313 nan 8.290 nan 0.000 0.498 228 V N -0.582 119.306 119.914 -0.043 0.000 3.147 228 V HA 0.658 4.777 4.120 -0.002 0.000 0.299 228 V C -1.459 174.607 176.094 -0.047 0.000 1.302 228 V CA -0.908 61.357 62.300 -0.060 0.000 1.015 228 V CB 2.071 33.837 31.823 -0.094 0.000 1.086 228 V HN 0.637 nan 8.190 nan 0.000 0.437 229 I N 5.205 125.741 120.570 -0.056 0.000 2.512 229 I HA 0.523 4.692 4.170 -0.002 0.000 0.287 229 I C -0.871 175.207 176.117 -0.065 0.000 1.069 229 I CA -0.646 60.630 61.300 -0.039 0.000 1.056 229 I CB 2.180 40.168 38.000 -0.020 0.000 1.229 229 I HN 0.587 nan 8.210 nan 0.000 0.429 230 N N 6.506 125.173 118.700 -0.055 0.000 2.314 230 N HA 0.522 5.261 4.740 -0.002 0.000 0.304 230 N C -1.109 174.389 175.510 -0.021 0.000 1.073 230 N CA -0.737 52.273 53.050 -0.067 0.000 0.822 230 N CB 2.850 41.284 38.487 -0.089 0.000 1.280 230 N HN 0.462 nan 8.380 nan 0.000 0.489 231 K N 1.586 121.969 120.400 -0.028 0.000 2.468 231 K HA 0.491 4.810 4.320 -0.002 0.000 0.252 231 K C -1.420 175.173 176.600 -0.012 0.000 0.932 231 K CA -0.722 55.571 56.287 0.010 0.000 0.794 231 K CB 2.485 34.999 32.500 0.024 0.000 1.241 231 K HN 0.483 nan 8.250 nan 0.000 0.428 232 D N 1.777 122.199 120.400 0.036 0.000 2.753 232 D HA 0.433 5.072 4.640 -0.002 0.000 0.224 232 D C -1.210 175.107 176.300 0.029 0.000 1.213 232 D CA -0.580 53.433 54.000 0.022 0.000 0.833 232 D CB 2.566 43.422 40.800 0.093 0.000 1.607 232 D HN 0.256 nan 8.370 nan 0.000 0.463 233 I N 1.335 121.894 120.570 -0.019 0.000 2.656 233 I HA 0.388 4.557 4.170 -0.002 0.000 0.292 233 I C -1.820 174.158 176.117 -0.231 0.000 1.144 233 I CA -0.346 60.911 61.300 -0.072 0.000 1.038 233 I CB 1.923 39.975 38.000 0.087 0.000 1.244 233 I HN 0.307 nan 8.210 nan 0.000 0.420 234 N N 4.472 122.884 118.700 -0.481 0.000 2.287 234 N HA 0.732 5.471 4.740 -0.002 0.000 0.289 234 N C -1.384 173.947 175.510 -0.299 0.000 1.066 234 N CA -0.344 52.399 53.050 -0.511 0.000 0.841 234 N CB 2.645 40.514 38.487 -1.032 0.000 1.599 234 N HN 0.839 nan 8.380 nan 0.000 0.476 235 G N 0.729 109.461 108.800 -0.113 0.000 2.571 235 G HA2 0.685 4.644 3.960 -0.002 0.000 0.304 235 G HA3 0.685 4.644 3.960 -0.002 0.000 0.304 235 G C -1.430 173.504 174.900 0.056 0.000 1.314 235 G CA -0.327 44.782 45.100 0.016 0.000 0.975 235 G HN 0.338 nan 8.290 nan 0.000 0.485 236 V N 0.663 120.650 119.914 0.121 0.000 2.851 236 V HA 0.594 4.713 4.120 -0.002 0.000 0.307 236 V C -0.731 175.482 176.094 0.199 0.000 1.129 236 V CA -0.683 61.698 62.300 0.135 0.000 0.932 236 V CB 2.009 33.890 31.823 0.098 0.000 1.024 236 V HN 0.670 nan 8.190 nan 0.000 0.426 237 V N 4.326 124.364 119.914 0.206 0.000 2.588 237 V HA 0.640 4.759 4.120 -0.002 0.000 0.304 237 V C -0.254 176.001 176.094 0.267 0.000 1.042 237 V CA -0.688 61.770 62.300 0.263 0.000 0.877 237 V CB 2.061 34.039 31.823 0.259 0.000 0.996 237 V HN 0.876 nan 8.190 nan 0.000 0.425 238 R N 3.225 123.888 120.500 0.271 0.000 2.534 238 R HA 0.419 4.758 4.340 -0.002 0.000 0.301 238 R C -2.056 174.380 176.300 0.227 0.000 0.961 238 R CA -0.621 55.614 56.100 0.225 0.000 0.871 238 R CB 1.743 32.117 30.300 0.123 0.000 1.170 238 R HN 0.687 nan 8.270 nan 0.000 0.446 239 W N 6.008 127.259 121.300 -0.081 0.000 2.336 239 W HA 0.331 4.990 4.660 -0.002 0.000 0.315 239 W C -1.210 175.182 176.519 -0.210 0.000 1.016 239 W CA -1.343 55.765 57.345 -0.394 0.000 1.318 239 W CB 1.130 30.373 29.460 -0.362 0.000 1.247 239 W HN 0.570 nan 8.180 nan 0.000 0.414 240 D N 7.162 127.543 120.400 -0.031 0.000 2.563 240 D HA -0.005 4.634 4.640 -0.002 0.000 0.222 240 D C 1.196 177.299 176.300 -0.328 0.000 1.145 240 D CA -0.117 53.736 54.000 -0.246 0.000 1.001 240 D CB -0.119 40.593 40.800 -0.148 0.000 1.049 240 D HN 0.484 nan 8.370 nan 0.000 0.515 241 F N 0.293 119.832 119.950 -0.685 0.000 2.502 241 F HA 0.291 4.817 4.527 -0.002 0.000 0.298 241 F C 0.521 176.127 175.800 -0.323 0.000 1.111 241 F CA -0.283 57.324 58.000 -0.656 0.000 1.445 241 F CB 0.222 38.363 39.000 -1.431 0.000 1.081 241 F HN 0.088 nan 8.300 nan 0.000 0.558 242 A N -0.492 121.879 122.820 -0.748 0.000 2.599 242 A HA 0.662 4.981 4.320 -0.002 0.000 0.290 242 A C -2.938 174.407 177.584 -0.398 0.000 1.101 242 A CA -1.821 49.979 52.037 -0.395 0.000 0.674 242 A CB 0.198 19.043 19.000 -0.257 0.000 1.277 242 A HN -0.079 nan 8.150 nan 0.000 0.419 243 P HA 0.398 nan 4.420 nan 0.000 0.268 243 P C -0.105 177.008 177.300 -0.311 0.000 1.204 243 P CA 0.249 63.212 63.100 -0.228 0.000 0.768 243 P CB 0.242 31.859 31.700 -0.139 0.000 0.842 244 L N 0.178 121.227 121.223 -0.289 0.000 4.367 244 L HA -0.232 4.107 4.340 -0.002 0.000 0.424 244 L C -0.181 176.441 176.870 -0.414 0.000 1.152 244 L CA 1.529 56.182 54.840 -0.312 0.000 0.974 244 L CB -2.286 39.592 42.059 -0.302 0.000 2.012 244 L HN 0.551 nan 8.230 nan 0.000 0.922 245 Q N -0.189 119.286 119.800 -0.542 0.000 2.320 245 Q HA 0.772 5.111 4.340 -0.002 0.000 0.268 245 Q C 0.087 175.456 176.000 -1.050 0.000 1.023 245 Q CA 0.116 55.464 55.803 -0.758 0.000 0.744 245 Q CB 2.299 30.356 28.738 -1.134 0.000 1.246 245 Q HN 0.366 nan 8.270 nan 0.000 0.462 246 S N 1.911 117.355 115.700 -0.427 0.000 2.569 246 S HA 0.766 5.235 4.470 -0.002 0.000 0.280 246 S C -0.653 174.075 174.600 0.213 0.000 1.111 246 S CA -0.865 57.202 58.200 -0.221 0.000 0.887 246 S CB 1.859 64.987 63.200 -0.120 0.000 1.095 246 S HN 0.504 nan 8.310 nan 0.000 0.476 247 L N 1.170 122.539 121.223 0.243 0.000 2.362 247 L HA 0.615 4.954 4.340 -0.002 0.000 0.275 247 L C -0.777 176.259 176.870 0.275 0.000 0.998 247 L CA -0.293 54.735 54.840 0.312 0.000 0.820 247 L CB 1.886 44.116 42.059 0.284 0.000 1.270 247 L HN 0.940 nan 8.230 nan 0.000 0.415 248 E N 3.502 123.855 120.200 0.255 0.000 2.218 248 E HA 0.376 4.725 4.350 -0.002 0.000 0.263 248 E C -1.710 175.019 176.600 0.215 0.000 0.879 248 E CA -0.764 55.765 56.400 0.214 0.000 0.762 248 E CB 2.300 32.091 29.700 0.152 0.000 1.166 248 E HN 0.301 nan 8.360 nan 0.000 0.415 249 L N 3.920 125.273 121.223 0.217 0.000 2.296 249 L HA 0.479 4.818 4.340 -0.002 0.000 0.286 249 L C -0.925 176.048 176.870 0.173 0.000 1.023 249 L CA -0.119 54.844 54.840 0.205 0.000 0.812 249 L CB 1.462 43.649 42.059 0.212 0.000 1.223 249 L HN 0.608 nan 8.230 nan 0.000 0.421 250 E N 3.588 123.884 120.200 0.160 0.000 2.266 250 E HA 0.832 5.181 4.350 -0.002 0.000 0.268 250 E C -1.760 174.908 176.600 0.113 0.000 0.879 250 E CA -0.882 55.585 56.400 0.111 0.000 0.762 250 E CB 1.933 31.670 29.700 0.060 0.000 1.199 250 E HN 0.788 nan 8.360 nan 0.000 0.422 251 A N 2.382 125.233 122.820 0.051 0.000 2.486 251 A HA 0.839 5.158 4.320 -0.002 0.000 0.300 251 A C -0.762 176.747 177.584 -0.126 0.000 1.048 251 A CA -0.105 51.912 52.037 -0.033 0.000 0.696 251 A CB 1.960 21.065 19.000 0.175 0.000 1.278 251 A HN 0.612 nan 8.150 nan 0.000 0.405 252 G N -0.544 108.100 108.800 -0.259 0.000 2.704 252 G HA2 0.609 4.568 3.960 -0.002 0.000 0.293 252 G HA3 0.609 4.568 3.960 -0.002 0.000 0.293 252 G C -2.159 172.696 174.900 -0.075 0.000 1.421 252 G CA -0.455 44.548 45.100 -0.162 0.000 0.870 252 G HN 1.467 nan 8.290 nan 0.000 0.492 253 Y N 0.720 120.933 120.300 -0.145 0.000 2.401 253 Y HA 0.686 5.235 4.550 -0.002 0.000 0.330 253 Y C -0.763 175.138 175.900 0.003 0.000 1.071 253 Y CA -1.026 57.030 58.100 -0.074 0.000 1.049 253 Y CB 2.068 40.515 38.460 -0.022 0.000 1.239 253 Y HN 0.576 nan 8.280 nan 0.000 0.437 254 S N 6.239 121.589 115.700 -0.583 0.000 2.521 254 S HA 0.609 5.078 4.470 -0.002 0.000 0.295 254 S C -1.248 173.069 174.600 -0.472 0.000 1.098 254 S CA -0.922 57.046 58.200 -0.387 0.000 0.999 254 S CB 1.823 65.091 63.200 0.113 0.000 1.034 254 S HN 0.666 nan 8.310 nan 0.000 0.483 255 R N 2.263 122.552 120.500 -0.352 0.000 2.360 255 R HA 0.386 4.725 4.340 -0.002 0.000 0.318 255 R C -1.152 175.032 176.300 -0.194 0.000 0.950 255 R CA -0.355 55.572 56.100 -0.288 0.000 0.837 255 R CB 0.967 31.157 30.300 -0.183 0.000 1.165 255 R HN 0.695 nan 8.270 nan 0.000 0.458 256 Q N 2.618 122.291 119.800 -0.212 0.000 2.331 256 Q HA 0.552 4.891 4.340 -0.002 0.000 0.267 256 Q C -1.249 174.635 176.000 -0.193 0.000 1.006 256 Q CA -0.744 54.945 55.803 -0.191 0.000 0.818 256 Q CB 2.170 30.774 28.738 -0.223 0.000 1.276 256 Q HN 0.861 nan 8.270 nan 0.000 0.450 257 G N 2.528 111.245 108.800 -0.139 0.000 2.563 257 G HA2 0.371 4.330 3.960 -0.002 0.000 0.302 257 G HA3 0.371 4.330 3.960 -0.002 0.000 0.302 257 G C -1.120 173.749 174.900 -0.053 0.000 1.301 257 G CA -0.713 44.332 45.100 -0.091 0.000 0.965 257 G HN 0.742 nan 8.290 nan 0.000 0.480 258 N N -0.107 118.587 118.700 -0.010 0.000 2.478 258 N HA 0.543 5.282 4.740 -0.002 0.000 0.275 258 N C -0.871 174.646 175.510 0.011 0.000 1.221 258 N CA -0.715 52.334 53.050 -0.002 0.000 0.979 258 N CB 1.464 39.967 38.487 0.026 0.000 1.202 258 N HN 0.344 nan 8.380 nan 0.000 0.564 259 L N 1.025 122.241 121.223 -0.011 0.000 2.427 259 L HA 0.263 4.602 4.340 -0.002 0.000 0.264 259 L C -0.899 175.932 176.870 -0.066 0.000 0.989 259 L CA -0.968 53.850 54.840 -0.037 0.000 0.865 259 L CB 0.908 42.930 42.059 -0.061 0.000 1.209 259 L HN 0.556 nan 8.230 nan 0.000 0.430 260 Y N 2.624 122.834 120.300 -0.150 0.000 2.712 260 Y HA 0.112 4.661 4.550 -0.002 0.000 0.333 260 Y C 0.762 176.558 175.900 -0.174 0.000 1.225 260 Y CA 1.302 59.319 58.100 -0.138 0.000 1.499 260 Y CB 1.195 39.587 38.460 -0.114 0.000 1.288 260 Y HN 0.683 nan 8.280 nan 0.000 0.575 261 A N 3.379 125.606 122.820 -0.988 0.000 1.996 261 A HA 0.503 4.822 4.320 -0.002 0.000 0.185 261 A C 1.105 178.172 177.584 -0.862 0.000 1.803 261 A CA 0.644 52.364 52.037 -0.528 0.000 1.335 261 A CB -0.771 18.172 19.000 -0.095 0.000 1.486 261 A HN 1.750 nan 8.150 nan 0.000 0.408 262 G N 0.075 108.230 108.800 -1.076 0.000 2.569 262 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.259 262 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.259 262 G C 0.195 174.997 174.900 -0.163 0.000 1.263 262 G CA 0.654 45.444 45.100 -0.516 0.000 0.928 262 G HN 0.276 nan 8.290 nan 0.000 0.572 263 D N -0.959 119.421 120.400 -0.032 0.000 2.338 263 D HA 0.290 4.929 4.640 -0.002 0.000 0.208 263 D C 1.256 177.573 176.300 0.028 0.000 0.997 263 D CA 1.524 55.528 54.000 0.006 0.000 0.880 263 D CB 0.406 41.224 40.800 0.030 0.000 0.980 263 D HN 0.368 nan 8.370 nan 0.000 0.509 264 T N 0.531 115.115 114.554 0.050 0.000 3.305 264 T HA 0.117 4.466 4.350 -0.002 0.000 0.348 264 T C -0.891 173.873 174.700 0.106 0.000 1.394 264 T CA -0.457 61.687 62.100 0.074 0.000 1.549 264 T CB 0.570 69.481 68.868 0.071 0.000 0.962 264 T HN -0.203 nan 8.240 nan 0.000 0.609 265 Q N 3.543 123.413 119.800 0.116 0.000 2.566 265 Q HA 0.316 4.655 4.340 -0.002 0.000 0.221 265 Q C 0.655 176.782 176.000 0.211 0.000 1.195 265 Q CA 0.026 55.938 55.803 0.181 0.000 0.967 265 Q CB -0.114 28.772 28.738 0.246 0.000 1.337 265 Q HN 0.582 nan 8.270 nan 0.000 0.553 266 N N 0.137 118.927 118.700 0.151 0.000 2.066 266 N HA 0.038 4.777 4.740 -0.002 0.000 0.232 266 N C -0.387 175.185 175.510 0.105 0.000 1.316 266 N CA 0.085 53.254 53.050 0.198 0.000 0.847 266 N CB -0.076 38.508 38.487 0.162 0.000 1.165 266 N HN 0.232 nan 8.380 nan 0.000 0.471 267 T N 1.689 116.238 114.554 -0.010 0.000 2.855 267 T HA 0.084 4.433 4.350 -0.002 0.000 0.322 267 T C 0.958 175.532 174.700 -0.210 0.000 1.088 267 T CA 0.120 62.189 62.100 -0.050 0.000 1.104 267 T CB 0.556 69.395 68.868 -0.049 0.000 0.996 267 T HN 0.227 nan 8.240 nan 0.000 0.549 268 N N 0.255 118.888 118.700 -0.110 0.000 2.373 268 N HA 0.019 4.758 4.740 -0.002 0.000 0.181 268 N C 0.900 176.287 175.510 -0.205 0.000 1.082 268 N CA 0.028 52.997 53.050 -0.135 0.000 0.885 268 N CB 0.214 38.752 38.487 0.084 0.000 0.977 268 N HN 0.477 nan 8.380 nan 0.000 0.462 269 S N 0.925 116.532 115.700 -0.155 0.000 2.645 269 S HA 0.108 4.577 4.470 -0.002 0.000 0.266 269 S C -0.502 173.994 174.600 -0.172 0.000 1.258 269 S CA -0.450 57.677 58.200 -0.123 0.000 0.990 269 S CB 0.822 63.981 63.200 -0.067 0.000 0.967 269 S HN -0.036 nan 8.310 nan 0.000 0.556 270 D N 2.337 122.666 120.400 -0.119 0.000 2.563 270 D HA 0.284 4.923 4.640 -0.002 0.000 0.222 270 D C 0.163 176.428 176.300 -0.057 0.000 1.145 270 D CA -0.023 53.911 54.000 -0.110 0.000 1.001 270 D CB 0.139 40.892 40.800 -0.079 0.000 1.049 270 D HN 0.469 nan 8.370 nan 0.000 0.515 271 S N 0.035 115.701 115.700 -0.057 0.000 2.738 271 S HA 0.166 4.635 4.470 -0.002 0.000 0.284 271 S C 1.200 175.834 174.600 0.057 0.000 1.146 271 S CA -0.700 57.506 58.200 0.010 0.000 0.997 271 S CB 0.888 64.097 63.200 0.015 0.000 1.081 271 S HN 0.300 nan 8.310 nan 0.000 0.553 272 Y N 0.938 121.222 120.300 -0.027 0.000 2.165 272 Y HA -0.125 4.424 4.550 -0.002 0.000 0.286 272 Y C 2.844 178.735 175.900 -0.014 0.000 1.155 272 Y CA 2.263 60.346 58.100 -0.030 0.000 1.164 272 Y CB -1.195 37.249 38.460 -0.026 0.000 0.978 272 Y HN 0.832 nan 8.280 nan 0.000 0.513 273 T N 0.377 114.871 114.554 -0.100 0.000 2.635 273 T HA -0.205 4.144 4.350 -0.002 0.000 0.267 273 T C 2.053 176.751 174.700 -0.003 0.000 1.040 273 T CA 1.876 63.935 62.100 -0.069 0.000 1.156 273 T CB -0.136 68.769 68.868 0.061 0.000 0.863 273 T HN 0.273 nan 8.240 nan 0.000 0.430 274 R N 1.135 121.606 120.500 -0.049 0.000 2.235 274 R HA 0.044 4.383 4.340 -0.002 0.000 0.213 274 R C 2.714 178.998 176.300 -0.027 0.000 1.059 274 R CA 1.227 57.276 56.100 -0.084 0.000 0.997 274 R CB -0.684 29.454 30.300 -0.269 0.000 0.884 274 R HN 0.649 nan 8.270 nan 0.000 0.462 275 S N -0.134 115.538 115.700 -0.046 0.000 2.496 275 S HA 0.036 4.505 4.470 -0.002 0.000 0.224 275 S C 1.540 176.113 174.600 -0.046 0.000 0.996 275 S CA 0.435 58.621 58.200 -0.024 0.000 0.927 275 S CB 0.186 63.393 63.200 0.011 0.000 0.774 275 S HN 0.223 nan 8.310 nan 0.000 0.524 276 K N -0.145 120.177 120.400 -0.131 0.000 2.348 276 K HA 0.166 4.485 4.320 -0.002 0.000 0.194 276 K C -0.123 176.492 176.600 0.026 0.000 1.052 276 K CA -0.332 55.827 56.287 -0.213 0.000 1.004 276 K CB -0.062 32.008 32.500 -0.716 0.000 0.873 276 K HN 0.440 nan 8.250 nan 0.000 0.523 277 Y N 2.046 122.431 120.300 0.141 0.000 2.863 277 Y HA -0.132 4.417 4.550 -0.002 0.000 0.359 277 Y C 1.119 177.126 175.900 0.177 0.000 1.312 277 Y CA 1.353 59.605 58.100 0.254 0.000 1.650 277 Y CB -0.282 38.274 38.460 0.160 0.000 1.201 277 Y HN 0.470 nan 8.280 nan 0.000 0.531 278 G N 3.497 111.876 108.800 -0.702 0.000 2.232 278 G HA2 -0.252 3.708 3.960 -0.002 0.000 0.226 278 G HA3 -0.252 3.708 3.960 -0.002 0.000 0.226 278 G C -0.130 174.700 174.900 -0.115 0.000 0.996 278 G CA 0.022 44.868 45.100 -0.423 0.000 0.626 278 G HN 0.607 nan 8.290 nan 0.000 0.509 279 D N 0.734 121.112 120.400 -0.035 0.000 2.348 279 D HA 0.434 5.073 4.640 -0.002 0.000 0.249 279 D C 0.272 176.610 176.300 0.064 0.000 1.110 279 D CA -0.269 53.744 54.000 0.021 0.000 0.967 279 D CB 1.050 41.859 40.800 0.015 0.000 1.139 279 D HN 0.391 nan 8.370 nan 0.000 0.466 280 E N -0.104 120.154 120.200 0.096 0.000 2.152 280 E HA 0.134 4.483 4.350 -0.002 0.000 0.285 280 E C 0.228 176.970 176.600 0.236 0.000 1.043 280 E CA -0.096 56.388 56.400 0.139 0.000 0.839 280 E CB 0.454 30.225 29.700 0.118 0.000 1.069 280 E HN 0.497 nan 8.360 nan 0.000 0.399 281 T N 1.024 115.698 114.554 0.200 0.000 3.004 281 T HA 0.169 4.518 4.350 -0.002 0.000 0.266 281 T C 0.162 174.993 174.700 0.219 0.000 0.986 281 T CA -0.502 61.666 62.100 0.113 0.000 0.902 281 T CB 0.258 69.093 68.868 -0.056 0.000 1.118 281 T HN 0.237 nan 8.240 nan 0.000 0.522 282 N N 1.004 119.869 118.700 0.277 0.000 2.336 282 N HA 0.469 5.208 4.740 -0.002 0.000 0.290 282 N C -1.656 173.946 175.510 0.152 0.000 1.058 282 N CA -0.547 52.641 53.050 0.229 0.000 0.865 282 N CB 2.255 40.825 38.487 0.139 0.000 1.581 282 N HN 0.345 nan 8.380 nan 0.000 0.480 283 R N 2.023 122.594 120.500 0.118 0.000 2.771 283 R HA 0.650 4.989 4.340 -0.002 0.000 0.274 283 R C -0.899 175.329 176.300 -0.119 0.000 0.987 283 R CA -0.866 55.185 56.100 -0.081 0.000 0.908 283 R CB 2.221 32.404 30.300 -0.196 0.000 1.213 283 R HN 0.321 nan 8.270 nan 0.000 0.468 284 L N 2.568 123.628 121.223 -0.272 0.000 2.438 284 L HA 0.516 4.855 4.340 -0.002 0.000 0.270 284 L C -1.532 175.153 176.870 -0.308 0.000 0.972 284 L CA -0.879 53.884 54.840 -0.130 0.000 0.831 284 L CB 1.726 43.837 42.059 0.087 0.000 1.273 284 L HN 0.591 nan 8.230 nan 0.000 0.405 285 Y N 2.391 122.711 120.300 0.034 0.000 2.341 285 Y HA 0.594 5.143 4.550 -0.002 0.000 0.338 285 Y C -0.080 175.786 175.900 -0.056 0.000 0.965 285 Y CA -0.679 57.427 58.100 0.010 0.000 1.108 285 Y CB 1.868 40.388 38.460 0.099 0.000 1.180 285 Y HN 0.432 nan 8.280 nan 0.000 0.458 286 R N 2.740 123.235 120.500 -0.007 0.000 2.513 286 R HA 0.510 4.849 4.340 -0.002 0.000 0.301 286 R C -1.508 174.741 176.300 -0.086 0.000 0.968 286 R CA -0.556 55.434 56.100 -0.183 0.000 0.872 286 R CB 1.304 31.250 30.300 -0.591 0.000 1.177 286 R HN 0.813 nan 8.270 nan 0.000 0.444 287 Q N 2.985 122.747 119.800 -0.064 0.000 2.353 287 Q HA 0.374 4.713 4.340 -0.002 0.000 0.268 287 Q C -1.122 174.698 176.000 -0.300 0.000 1.045 287 Q CA -1.079 54.680 55.803 -0.074 0.000 0.811 287 Q CB 2.618 31.440 28.738 0.139 0.000 1.305 287 Q HN 0.701 nan 8.270 nan 0.000 0.447 288 N N 1.262 119.658 118.700 -0.506 0.000 2.235 288 N HA 0.416 5.155 4.740 -0.002 0.000 0.293 288 N C -1.706 173.482 175.510 -0.537 0.000 1.083 288 N CA -0.458 52.354 53.050 -0.396 0.000 0.801 288 N CB 1.720 40.040 38.487 -0.280 0.000 1.559 288 N HN 0.433 nan 8.380 nan 0.000 0.472 289 Y N -0.124 120.218 120.300 0.069 0.000 2.457 289 Y HA 0.719 5.268 4.550 -0.002 0.000 0.343 289 Y C -0.322 175.667 175.900 0.149 0.000 0.994 289 Y CA -0.809 57.369 58.100 0.130 0.000 1.031 289 Y CB 2.440 41.024 38.460 0.206 0.000 1.246 289 Y HN 0.914 nan 8.280 nan 0.000 0.449 290 A N 3.459 126.439 122.820 0.266 0.000 2.515 290 A HA 0.801 5.120 4.320 -0.002 0.000 0.298 290 A C -2.244 175.487 177.584 0.245 0.000 1.059 290 A CA -0.707 51.475 52.037 0.242 0.000 0.698 290 A CB 1.849 20.930 19.000 0.135 0.000 1.289 290 A HN 0.723 nan 8.150 nan 0.000 0.404 291 L N 2.025 123.420 121.223 0.286 0.000 2.376 291 L HA 0.647 4.986 4.340 -0.002 0.000 0.275 291 L C -1.046 176.030 176.870 0.344 0.000 0.987 291 L CA -0.137 54.871 54.840 0.281 0.000 0.828 291 L CB 2.005 44.219 42.059 0.259 0.000 1.249 291 L HN 0.849 nan 8.230 nan 0.000 0.409 292 T N 3.388 118.134 114.554 0.321 0.000 2.824 292 T HA 0.270 4.619 4.350 -0.002 0.000 0.282 292 T C -1.002 173.948 174.700 0.417 0.000 0.993 292 T CA -0.312 62.010 62.100 0.370 0.000 0.967 292 T CB 1.435 70.453 68.868 0.250 0.000 0.960 292 T HN 0.642 nan 8.240 nan 0.000 0.441 293 W N 5.051 126.482 121.300 0.218 0.000 2.338 293 W HA 0.476 5.135 4.660 -0.002 0.000 0.315 293 W C -1.478 175.134 176.519 0.156 0.000 1.005 293 W CA -0.737 56.714 57.345 0.177 0.000 1.380 293 W CB 0.464 30.024 29.460 0.167 0.000 1.235 293 W HN 0.647 nan 8.180 nan 0.000 0.409 294 N N 3.172 121.998 118.700 0.211 0.000 2.362 294 N HA 0.696 5.436 4.740 -0.002 0.000 0.298 294 N C -0.394 174.947 175.510 -0.283 0.000 1.048 294 N CA -0.412 52.551 53.050 -0.145 0.000 0.858 294 N CB 2.035 40.497 38.487 -0.041 0.000 1.218 294 N HN 0.487 nan 8.380 nan 0.000 0.488 295 G N -0.412 108.054 108.800 -0.557 0.000 2.612 295 G HA2 0.748 4.707 3.960 -0.002 0.000 0.298 295 G HA3 0.748 4.707 3.960 -0.002 0.000 0.298 295 G C -1.104 173.487 174.900 -0.515 0.000 1.336 295 G CA -0.762 43.968 45.100 -0.615 0.000 0.953 295 G HN 0.613 nan 8.290 nan 0.000 0.482 296 G N -0.846 107.515 108.800 -0.731 0.000 2.672 296 G HA2 0.687 4.646 3.960 -0.002 0.000 0.292 296 G HA3 0.687 4.646 3.960 -0.002 0.000 0.292 296 G C -1.587 173.029 174.900 -0.474 0.000 1.375 296 G CA -0.708 44.202 45.100 -0.317 0.000 0.890 296 G HN 0.498 nan 8.290 nan 0.000 0.476 297 W N 0.311 121.606 121.300 -0.008 0.000 3.127 297 W HA 0.201 4.860 4.660 -0.002 0.000 0.330 297 W C 0.503 177.022 176.519 -0.001 0.000 1.187 297 W CA -0.430 56.918 57.345 0.004 0.000 1.198 297 W CB 2.198 31.668 29.460 0.015 0.000 1.408 297 W HN 0.942 nan 8.180 nan 0.000 0.529 298 D N -0.585 119.946 120.400 0.219 0.000 2.228 298 D HA -0.305 4.335 4.640 -0.002 0.000 0.203 298 D C 1.279 177.648 176.300 0.115 0.000 0.988 298 D CA 1.880 55.952 54.000 0.120 0.000 0.864 298 D CB -0.302 40.554 40.800 0.093 0.000 0.928 298 D HN 0.477 nan 8.370 nan 0.000 0.469 299 N N -0.483 118.310 118.700 0.154 0.000 2.334 299 N HA -0.190 4.549 4.740 -0.002 0.000 0.187 299 N C 1.519 177.081 175.510 0.086 0.000 1.016 299 N CA 1.214 54.325 53.050 0.102 0.000 0.879 299 N CB -0.151 38.390 38.487 0.090 0.000 0.965 299 N HN 0.463 nan 8.380 nan 0.000 0.438 300 G N -0.618 108.255 108.800 0.120 0.000 2.254 300 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.225 300 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.225 300 G C 0.043 175.010 174.900 0.112 0.000 1.003 300 G CA 0.143 45.298 45.100 0.091 0.000 0.622 300 G HN 0.209 nan 8.290 nan 0.000 0.507 301 V N 2.883 122.880 119.914 0.137 0.000 2.637 301 V HA 0.546 4.665 4.120 -0.002 0.000 0.296 301 V C 0.968 177.271 176.094 0.348 0.000 1.046 301 V CA 0.952 63.337 62.300 0.142 0.000 1.066 301 V CB 1.117 32.915 31.823 -0.040 0.000 0.968 301 V HN 0.924 nan 8.190 nan 0.000 0.483 302 T N 0.879 115.570 114.554 0.229 0.000 2.907 302 T HA 0.685 5.034 4.350 -0.002 0.000 0.292 302 T C -0.491 174.301 174.700 0.153 0.000 1.043 302 T CA -0.704 61.526 62.100 0.217 0.000 1.003 302 T CB 2.013 70.933 68.868 0.085 0.000 1.084 302 T HN 0.672 nan 8.240 nan 0.000 0.483 303 T N 0.146 114.740 114.554 0.067 0.000 2.909 303 T HA 0.691 5.040 4.350 -0.002 0.000 0.299 303 T C -1.459 173.123 174.700 -0.197 0.000 1.073 303 T CA -0.538 61.519 62.100 -0.072 0.000 0.999 303 T CB 1.720 70.514 68.868 -0.124 0.000 1.098 303 T HN 0.890 nan 8.240 nan 0.000 0.477 304 S N 3.396 119.034 115.700 -0.102 0.000 2.677 304 S HA 0.628 5.097 4.470 -0.002 0.000 0.283 304 S C -1.617 173.038 174.600 0.091 0.000 1.159 304 S CA -0.737 57.468 58.200 0.009 0.000 1.001 304 S CB 0.313 63.608 63.200 0.158 0.000 1.032 304 S HN 0.730 nan 8.310 nan 0.000 0.487 305 N N 5.029 123.781 118.700 0.087 0.000 2.397 305 N HA 0.512 5.251 4.740 -0.002 0.000 0.291 305 N C -1.235 174.479 175.510 0.341 0.000 1.065 305 N CA -0.625 52.502 53.050 0.128 0.000 0.884 305 N CB 1.737 40.259 38.487 0.059 0.000 1.551 305 N HN 0.739 nan 8.380 nan 0.000 0.487 306 W N 0.211 121.668 121.300 0.262 0.000 3.042 306 W HA 0.733 5.392 4.660 -0.002 0.000 0.342 306 W C -1.667 174.994 176.519 0.237 0.000 1.240 306 W CA -0.990 56.495 57.345 0.232 0.000 1.166 306 W CB 0.818 30.382 29.460 0.173 0.000 1.469 306 W HN 0.157 nan 8.180 nan 0.000 0.579 307 V N 1.285 121.556 119.914 0.595 0.000 2.851 307 V HA 0.465 4.584 4.120 -0.002 0.000 0.307 307 V C -1.300 175.111 176.094 0.527 0.000 1.129 307 V CA -0.347 62.236 62.300 0.472 0.000 0.932 307 V CB 1.993 34.002 31.823 0.311 0.000 1.024 307 V HN 0.725 nan 8.190 nan 0.000 0.426 308 Q N 4.549 124.668 119.800 0.532 0.000 2.375 308 Q HA 0.538 4.877 4.340 -0.002 0.000 0.271 308 Q C -2.337 173.899 176.000 0.392 0.000 1.074 308 Q CA -0.769 55.280 55.803 0.411 0.000 0.808 308 Q CB 2.440 31.387 28.738 0.347 0.000 1.327 308 Q HN 0.876 nan 8.270 nan 0.000 0.441 309 Y N 2.230 122.674 120.300 0.239 0.000 2.338 309 Y HA 0.401 4.950 4.550 -0.002 0.000 0.333 309 Y C -1.625 174.404 175.900 0.215 0.000 0.968 309 Y CA -0.800 57.434 58.100 0.224 0.000 1.123 309 Y CB 1.664 40.266 38.460 0.236 0.000 1.165 309 Y HN 0.699 nan 8.280 nan 0.000 0.452 310 E N 6.159 126.129 120.200 -0.383 0.000 2.191 310 E HA 0.191 4.540 4.350 -0.002 0.000 0.263 310 E C -1.762 174.543 176.600 -0.491 0.000 0.881 310 E CA -0.637 55.534 56.400 -0.382 0.000 0.757 310 E CB 0.842 30.422 29.700 -0.200 0.000 1.147 310 E HN 0.891 nan 8.360 nan 0.000 0.414 311 H N 3.589 122.334 119.070 -0.541 0.000 2.587 311 H HA 0.382 4.937 4.556 -0.002 0.000 0.325 311 H C -1.339 173.915 175.328 -0.123 0.000 1.012 311 H CA -0.452 55.413 56.048 -0.304 0.000 1.213 311 H CB 1.445 31.108 29.762 -0.166 0.000 1.431 311 H HN 0.365 nan 8.280 nan 0.000 0.492 312 T N 6.235 120.621 114.554 -0.280 0.000 2.824 312 T HA 0.301 4.650 4.350 -0.002 0.000 0.282 312 T C -0.340 174.199 174.700 -0.268 0.000 0.993 312 T CA -0.763 61.182 62.100 -0.259 0.000 0.967 312 T CB 1.643 70.426 68.868 -0.143 0.000 0.960 312 T HN 0.557 nan 8.240 nan 0.000 0.441 313 R N 2.922 123.337 120.500 -0.141 0.000 2.534 313 R HA 0.376 4.716 4.340 -0.002 0.000 0.301 313 R C -0.898 175.496 176.300 0.157 0.000 0.961 313 R CA -0.589 55.511 56.100 0.001 0.000 0.871 313 R CB 0.919 31.234 30.300 0.024 0.000 1.170 313 R HN 0.727 nan 8.270 nan 0.000 0.446 314 N N 2.368 121.148 118.700 0.135 0.000 2.446 314 N HA 0.072 4.811 4.740 -0.002 0.000 0.265 314 N C -1.599 174.030 175.510 0.199 0.000 0.975 314 N CA -0.107 53.035 53.050 0.154 0.000 0.928 314 N CB 1.559 40.120 38.487 0.123 0.000 1.160 314 N HN 0.418 nan 8.380 nan 0.000 0.495 315 S N 4.203 120.058 115.700 0.258 0.000 2.601 315 S HA 0.369 4.838 4.470 -0.002 0.000 0.312 315 S C -0.482 174.394 174.600 0.460 0.000 1.107 315 S CA -0.908 57.489 58.200 0.328 0.000 1.129 315 S CB 0.210 63.601 63.200 0.319 0.000 0.982 315 S HN 0.725 nan 8.310 nan 0.000 0.469 316 R N 3.291 124.024 120.500 0.390 0.000 2.888 316 R HA 0.645 4.984 4.340 -0.002 0.000 0.266 316 R C -1.118 175.199 176.300 0.028 0.000 1.020 316 R CA -1.053 55.215 56.100 0.282 0.000 0.963 316 R CB 0.933 31.329 30.300 0.161 0.000 1.197 316 R HN 0.472 nan 8.270 nan 0.000 0.481 317 I N 3.117 123.543 120.570 -0.239 0.000 2.304 317 I HA 0.265 4.434 4.170 -0.002 0.000 0.291 317 I C -1.731 174.326 176.117 -0.100 0.000 1.018 317 I CA -2.409 58.679 61.300 -0.354 0.000 1.260 317 I CB 1.762 39.450 38.000 -0.519 0.000 1.390 317 I HN 0.474 nan 8.210 nan 0.000 0.475 318 P HA 0.014 nan 4.420 nan 0.000 0.267 318 P C -1.059 176.280 177.300 0.064 0.000 1.200 318 P CA -0.114 63.008 63.100 0.038 0.000 0.772 318 P CB 0.557 32.286 31.700 0.049 0.000 0.855 319 E N 1.174 121.433 120.200 0.099 0.000 2.171 319 E HA 0.554 4.903 4.350 -0.002 0.000 0.271 319 E C 0.449 177.129 176.600 0.133 0.000 0.916 319 E CA -0.754 55.735 56.400 0.148 0.000 0.774 319 E CB 1.113 30.907 29.700 0.156 0.000 1.128 319 E HN 0.711 nan 8.360 nan 0.000 0.403 320 G N 2.232 111.115 108.800 0.139 0.000 2.545 320 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.240 320 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.240 320 G C -0.487 174.436 174.900 0.039 0.000 1.172 320 G CA -0.127 45.026 45.100 0.088 0.000 0.949 320 G HN 0.674 nan 8.290 nan 0.000 0.574 321 L N -1.193 120.063 121.223 0.055 0.000 2.852 321 L HA 0.778 5.117 4.340 -0.002 0.000 0.268 321 L C 0.355 177.273 176.870 0.079 0.000 1.033 321 L CA -0.433 54.435 54.840 0.046 0.000 1.029 321 L CB 0.871 42.943 42.059 0.022 0.000 1.598 321 L HN 1.975 nan 8.230 nan 0.000 0.358 322 A N -1.121 121.738 122.820 0.064 0.000 2.765 322 A HA 1.001 5.320 4.320 -0.002 0.000 0.305 322 A C -0.594 176.988 177.584 -0.004 0.000 1.229 322 A CA -0.123 51.959 52.037 0.073 0.000 0.653 322 A CB 1.133 20.183 19.000 0.082 0.000 1.375 322 A HN 1.586 nan 8.150 nan 0.000 0.540 336 D N 1.961 122.331 120.400 -0.049 0.000 2.344 336 D HA 0.616 5.255 4.640 -0.002 0.000 0.239 336 D C -0.632 175.645 176.300 -0.039 0.000 1.064 336 D CA -0.307 53.716 54.000 0.038 0.000 0.829 336 D CB 1.046 41.886 40.800 0.066 0.000 1.129 336 D HN 0.487 nan 8.370 nan 0.000 0.506 337 F N 1.115 121.102 119.950 0.061 0.000 2.443 337 F HA 0.162 4.688 4.527 -0.001 0.000 0.353 337 F C 0.795 176.638 175.800 0.072 0.000 1.101 337 F CA -0.575 57.469 58.000 0.073 0.000 1.226 337 F CB 1.020 40.072 39.000 0.087 0.000 1.140 337 F HN -0.042 nan 8.300 nan 0.000 0.557 338 V N 3.812 123.849 119.914 0.206 0.000 2.483 338 V HA 0.485 4.605 4.120 -0.002 0.000 0.295 338 V C -0.884 175.320 176.094 0.183 0.000 1.035 338 V CA -0.378 62.016 62.300 0.156 0.000 0.896 338 V CB 1.588 33.477 31.823 0.110 0.000 0.986 338 V HN 0.719 nan 8.190 nan 0.000 0.447 339 D N 5.225 125.714 120.400 0.149 0.000 2.269 339 D HA 0.668 5.307 4.640 -0.002 0.000 0.244 339 D C -0.701 175.664 176.300 0.108 0.000 0.992 339 D CA 0.023 54.106 54.000 0.139 0.000 0.894 339 D CB 2.028 42.899 40.800 0.118 0.000 1.248 339 D HN 0.519 nan 8.370 nan 0.000 0.468 340 I N 0.969 121.603 120.570 0.106 0.000 2.607 340 I HA 0.259 4.428 4.170 -0.002 0.000 0.290 340 I C -1.199 174.957 176.117 0.065 0.000 1.129 340 I CA -0.782 60.568 61.300 0.083 0.000 1.042 340 I CB 2.162 40.232 38.000 0.117 0.000 1.242 340 I HN 0.118 nan 8.210 nan 0.000 0.421 341 D N 5.479 125.908 120.400 0.048 0.000 2.391 341 D HA 0.553 5.192 4.640 -0.002 0.000 0.245 341 D C -1.074 175.272 176.300 0.077 0.000 1.069 341 D CA -0.234 53.805 54.000 0.065 0.000 0.831 341 D CB 2.347 43.242 40.800 0.158 0.000 1.204 341 D HN 0.149 nan 8.370 nan 0.000 0.503 342 L N 2.351 123.611 121.223 0.061 0.000 2.307 342 L HA 0.548 4.887 4.340 -0.002 0.000 0.284 342 L C -1.135 175.822 176.870 0.145 0.000 1.023 342 L CA -0.307 54.574 54.840 0.068 0.000 0.810 342 L CB 1.618 43.687 42.059 0.017 0.000 1.231 342 L HN 0.226 nan 8.230 nan 0.000 0.423 343 D N 2.547 123.039 120.400 0.153 0.000 2.498 343 D HA 0.505 5.144 4.640 -0.002 0.000 0.247 343 D C -1.557 174.825 176.300 0.135 0.000 1.070 343 D CA 0.001 54.130 54.000 0.215 0.000 0.842 343 D CB 1.787 42.771 40.800 0.307 0.000 1.361 343 D HN 0.552 nan 8.370 nan 0.000 0.484 344 D N 1.057 121.527 120.400 0.117 0.000 2.964 344 D HA 0.586 5.225 4.640 -0.002 0.000 0.234 344 D C -1.261 175.155 176.300 0.193 0.000 1.223 344 D CA -0.478 53.572 54.000 0.084 0.000 0.889 344 D CB 1.435 42.239 40.800 0.008 0.000 1.609 344 D HN 0.029 nan 8.370 nan 0.000 0.523 348 H N 1.463 120.215 119.070 -0.531 0.000 2.856 348 H HA 0.760 5.315 4.556 -0.002 0.000 0.355 348 H C -1.461 173.611 175.328 -0.428 0.000 1.079 348 H CA -0.062 55.586 56.048 -0.668 0.000 1.240 348 H CB 1.938 30.746 29.762 -1.589 0.000 1.701 348 H HN 0.538 nan 8.280 nan 0.000 0.527 349 S N 3.734 118.875 115.700 -0.932 0.000 2.543 349 S HA 0.512 4.981 4.470 -0.002 0.000 0.271 349 S C -1.935 172.413 174.600 -0.421 0.000 1.148 349 S CA -0.504 57.428 58.200 -0.447 0.000 0.914 349 S CB 0.918 63.985 63.200 -0.222 0.000 1.096 349 S HN 0.857 nan 8.310 nan 0.000 0.471 350 E N 1.409 121.504 120.200 -0.175 0.000 2.388 350 E HA 0.624 4.973 4.350 -0.002 0.000 0.282 350 E C -1.612 174.973 176.600 -0.025 0.000 1.026 350 E CA -1.160 55.190 56.400 -0.083 0.000 0.820 350 E CB 1.139 30.907 29.700 0.114 0.000 1.226 350 E HN 0.423 nan 8.360 nan 0.000 0.432 351 V N 0.811 120.703 119.914 -0.035 0.000 2.769 351 V HA 0.608 4.727 4.120 -0.002 0.000 0.312 351 V C -0.672 175.425 176.094 0.005 0.000 1.061 351 V CA -1.049 61.240 62.300 -0.019 0.000 0.931 351 V CB 1.794 33.586 31.823 -0.052 0.000 1.010 351 V HN 0.713 nan 8.190 nan 0.000 0.433 352 N N 3.198 121.911 118.700 0.022 0.000 2.399 352 N HA 0.591 5.330 4.740 -0.002 0.000 0.280 352 N C -1.386 174.134 175.510 0.015 0.000 1.008 352 N CA -0.314 52.753 53.050 0.028 0.000 0.894 352 N CB 2.633 41.147 38.487 0.046 0.000 1.273 352 N HN 0.592 nan 8.380 nan 0.000 0.486 353 L N 3.445 124.668 121.223 0.001 0.000 2.295 353 L HA 0.444 4.783 4.340 -0.002 0.000 0.281 353 L C -2.403 174.469 176.870 0.004 0.000 1.018 353 L CA -1.781 53.053 54.840 -0.010 0.000 0.841 353 L CB 1.724 43.766 42.059 -0.028 0.000 1.218 353 L HN 0.146 nan 8.230 nan 0.000 0.424 354 P HA 0.349 nan 4.420 nan 0.000 0.275 354 P C -0.759 176.554 177.300 0.023 0.000 1.227 354 P CA 0.017 63.130 63.100 0.022 0.000 0.781 354 P CB 0.988 32.704 31.700 0.027 0.000 0.906 355 I N 1.967 122.557 120.570 0.034 0.000 2.569 355 I HA 0.276 4.445 4.170 -0.002 0.000 0.290 355 I C -0.616 175.549 176.117 0.081 0.000 1.088 355 I CA -0.631 60.703 61.300 0.056 0.000 1.047 355 I CB 2.386 40.418 38.000 0.053 0.000 1.237 355 I HN 0.202 nan 8.210 nan 0.000 0.421 356 D N 5.776 126.231 120.400 0.092 0.000 2.454 356 D HA 0.264 4.903 4.640 -0.002 0.000 0.225 356 D C -0.448 175.939 176.300 0.146 0.000 1.081 356 D CA -0.010 54.043 54.000 0.088 0.000 0.864 356 D CB 0.770 41.595 40.800 0.042 0.000 1.040 356 D HN 0.372 nan 8.370 nan 0.000 0.517 357 F N 2.387 122.336 119.950 -0.001 0.000 2.429 357 F HA 0.284 4.810 4.527 -0.002 0.000 0.245 357 F C 1.249 177.049 175.800 -0.001 0.000 1.048 357 F CA 0.051 58.049 58.000 -0.002 0.000 1.013 357 F CB 0.388 39.386 39.000 -0.002 0.000 1.141 357 F HN 0.262 nan 8.300 nan 0.000 0.653 358 L N -0.644 120.680 121.223 0.168 0.000 2.717 358 L HA 0.330 4.669 4.340 -0.002 0.000 0.239 358 L C -0.680 176.226 176.870 0.061 0.000 1.086 358 L CA 0.008 54.871 54.840 0.038 0.000 0.897 358 L CB 1.677 43.776 42.059 0.066 0.000 1.214 358 L HN -0.061 nan 8.230 nan 0.000 0.508 359 V N -0.379 119.596 119.914 0.102 0.000 3.040 359 V HA 0.380 4.499 4.120 -0.002 0.000 0.312 359 V C -0.716 175.423 176.094 0.075 0.000 1.115 359 V CA -0.984 61.359 62.300 0.072 0.000 0.998 359 V CB 2.548 34.414 31.823 0.072 0.000 1.042 359 V HN 0.071 nan 8.190 nan 0.000 0.433 360 N N 3.894 122.626 118.700 0.053 0.000 2.530 360 N HA 0.435 5.174 4.740 -0.002 0.000 0.273 360 N C -0.636 174.901 175.510 0.046 0.000 1.173 360 N CA -0.070 53.009 53.050 0.048 0.000 0.967 360 N CB 1.067 39.575 38.487 0.035 0.000 1.109 360 N HN 0.756 nan 8.380 nan 0.000 0.453 361 Q N -0.919 118.907 119.800 0.044 0.000 2.647 361 Q HA 0.370 4.709 4.340 -0.002 0.000 0.283 361 Q C -1.729 174.289 176.000 0.028 0.000 0.943 361 Q CA -0.906 54.917 55.803 0.034 0.000 0.813 361 Q CB 0.709 29.466 28.738 0.033 0.000 1.477 361 Q HN 0.276 nan 8.270 nan 0.000 0.393 362 T N 2.024 116.592 114.554 0.022 0.000 2.815 362 T HA 0.449 4.798 4.350 -0.002 0.000 0.289 362 T C -0.990 173.719 174.700 0.016 0.000 1.000 362 T CA -0.545 61.568 62.100 0.020 0.000 0.958 362 T CB 0.845 69.728 68.868 0.024 0.000 0.944 362 T HN 0.482 nan 8.240 nan 0.000 0.442 363 L N 4.012 125.240 121.223 0.008 0.000 2.276 363 L HA 0.577 4.916 4.340 -0.002 0.000 0.286 363 L C -0.054 176.823 176.870 0.012 0.000 1.061 363 L CA 0.350 55.191 54.840 0.003 0.000 0.807 363 L CB 0.952 43.000 42.059 -0.018 0.000 1.177 363 L HN 0.534 nan 8.230 nan 0.000 0.429 364 T N 6.640 121.213 114.554 0.032 0.000 2.794 364 T HA 0.627 4.976 4.350 -0.002 0.000 0.280 364 T C -0.492 174.231 174.700 0.038 0.000 0.987 364 T CA -0.258 61.875 62.100 0.055 0.000 0.993 364 T CB 0.718 69.648 68.868 0.103 0.000 0.939 364 T HN 0.455 nan 8.240 nan 0.000 0.449 365 L N 2.698 123.903 121.223 -0.029 0.000 2.409 365 L HA 0.812 5.151 4.340 -0.002 0.000 0.272 365 L C 0.399 177.076 176.870 -0.322 0.000 0.980 365 L CA -0.597 54.146 54.840 -0.161 0.000 0.826 365 L CB 2.030 44.008 42.059 -0.135 0.000 1.268 365 L HN 0.842 nan 8.230 nan 0.000 0.407 366 G N 0.349 108.673 108.800 -0.793 0.000 2.645 366 G HA2 0.662 4.621 3.960 -0.002 0.000 0.292 366 G HA3 0.662 4.621 3.960 -0.002 0.000 0.292 366 G C -1.715 172.365 174.900 -1.367 0.000 1.415 366 G CA -0.369 44.082 45.100 -1.081 0.000 0.785 366 G HN 0.396 nan 8.290 nan 0.000 0.483 367 T N -0.885 113.151 114.554 -0.863 0.000 2.889 367 T HA 0.637 4.986 4.350 -0.002 0.000 0.315 367 T C -1.789 172.740 174.700 -0.285 0.000 1.291 367 T CA -0.481 61.304 62.100 -0.525 0.000 1.028 367 T CB 1.997 70.667 68.868 -0.328 0.000 1.235 367 T HN 0.502 nan 8.240 nan 0.000 0.491 368 E N 1.352 121.462 120.200 -0.149 0.000 2.340 368 E HA 0.488 4.837 4.350 -0.002 0.000 0.273 368 E C -1.965 174.692 176.600 0.095 0.000 0.891 368 E CA -0.793 55.590 56.400 -0.028 0.000 0.757 368 E CB 2.345 32.081 29.700 0.060 0.000 1.231 368 E HN 0.579 nan 8.360 nan 0.000 0.439 369 W N 3.690 124.994 121.300 0.006 0.000 2.781 369 W HA 0.375 5.034 4.660 -0.001 0.000 0.333 369 W C -1.462 175.108 176.519 0.085 0.000 1.047 369 W CA -0.471 56.945 57.345 0.119 0.000 1.236 369 W CB 1.101 30.667 29.460 0.176 0.000 1.394 369 W HN 0.384 nan 8.180 nan 0.000 0.466 370 N N 5.215 123.447 118.700 -0.780 0.000 2.352 370 N HA 0.249 4.988 4.740 -0.002 0.000 0.291 370 N C -1.752 173.194 175.510 -0.940 0.000 1.040 370 N CA -0.360 52.289 53.050 -0.667 0.000 0.864 370 N CB 2.071 40.396 38.487 -0.270 0.000 1.440 370 N HN 0.678 nan 8.380 nan 0.000 0.483 371 Q N 2.793 122.085 119.800 -0.847 0.000 2.340 371 Q HA 0.274 4.613 4.340 -0.002 0.000 0.268 371 Q C -1.657 174.212 176.000 -0.219 0.000 1.031 371 Q CA -0.589 54.875 55.803 -0.565 0.000 0.804 371 Q CB 1.915 30.338 28.738 -0.525 0.000 1.286 371 Q HN 0.625 nan 8.270 nan 0.000 0.448 372 Q N 3.268 122.982 119.800 -0.144 0.000 2.321 372 Q HA 0.477 4.816 4.340 -0.002 0.000 0.270 372 Q C -1.305 174.683 176.000 -0.020 0.000 1.032 372 Q CA -0.462 55.305 55.803 -0.060 0.000 0.784 372 Q CB 1.645 30.340 28.738 -0.073 0.000 1.264 372 Q HN 0.660 nan 8.270 nan 0.000 0.448 376 D N 2.361 122.638 120.400 -0.206 0.000 2.564 376 D HA 0.541 5.180 4.640 -0.002 0.000 0.273 376 D C -0.468 175.811 176.300 -0.034 0.000 1.192 376 D CA -0.416 53.550 54.000 -0.057 0.000 1.080 376 D CB 1.197 42.001 40.800 0.006 0.000 1.160 376 D HN 0.365 nan 8.370 nan 0.000 0.607 377 L N 0.498 121.744 121.223 0.038 0.000 3.088 377 L HA 0.364 4.703 4.340 -0.002 0.000 0.337 377 L C -0.254 176.667 176.870 0.086 0.000 1.293 377 L CA 0.030 54.902 54.840 0.054 0.000 0.784 377 L CB 0.333 42.431 42.059 0.064 0.000 1.215 377 L HN 0.427 nan 8.230 nan 0.000 0.581 378 S N -0.780 114.982 115.700 0.103 0.000 2.774 378 S HA 0.801 5.270 4.470 -0.002 0.000 0.297 378 S C 0.806 175.480 174.600 0.124 0.000 1.143 378 S CA 0.342 58.625 58.200 0.137 0.000 1.090 378 S CB 1.123 64.453 63.200 0.216 0.000 1.019 378 S HN 0.244 nan 8.310 nan 0.000 0.482 379 S N 1.586 117.344 115.700 0.098 0.000 2.807 379 S HA 0.571 5.040 4.470 -0.002 0.000 0.247 379 S C 1.064 175.709 174.600 0.075 0.000 1.078 379 S CA 1.221 59.469 58.200 0.081 0.000 0.867 379 S CB -0.755 62.482 63.200 0.063 0.000 0.797 379 S HN 2.434 nan 8.310 nan 0.000 0.515 380 N N 0.486 119.230 118.700 0.073 0.000 2.441 380 N HA 0.189 4.928 4.740 -0.002 0.000 0.292 380 N C 1.015 176.553 175.510 0.047 0.000 1.378 380 N CA 1.335 54.426 53.050 0.069 0.000 0.651 380 N CB -2.366 36.175 38.487 0.091 0.000 0.926 380 N HN 1.465 nan 8.380 nan 0.000 0.517 381 T N -0.662 113.914 114.554 0.036 0.000 2.516 381 T HA 0.334 4.683 4.350 -0.002 0.000 0.261 381 T C 2.390 177.096 174.700 0.010 0.000 1.130 381 T CA 4.861 66.973 62.100 0.019 0.000 1.193 381 T CB -1.159 67.718 68.868 0.016 0.000 0.864 381 T HN 2.692 nan 8.240 nan 0.000 0.410 382 Q N -0.793 119.016 119.800 0.016 0.000 2.439 382 Q HA 0.238 4.577 4.340 -0.002 0.000 0.325 382 Q C 0.499 176.491 176.000 -0.014 0.000 1.372 382 Q CA 1.624 57.434 55.803 0.012 0.000 0.909 382 Q CB -2.686 26.091 28.738 0.065 0.000 1.167 382 Q HN 2.357 nan 8.270 nan 0.000 0.418 401 R N 0.822 121.358 120.500 0.060 0.000 2.614 401 R HA 0.476 4.815 4.340 -0.002 0.000 0.335 401 R C 0.202 176.546 176.300 0.074 0.000 0.859 401 R CA 0.511 56.649 56.100 0.065 0.000 1.123 401 R CB 0.053 30.384 30.300 0.053 0.000 0.887 401 R HN 0.451 nan 8.270 nan 0.000 0.407 402 S N 2.832 118.581 115.700 0.081 0.000 2.592 402 S HA 0.402 4.871 4.470 -0.002 0.000 0.275 402 S C -1.867 172.778 174.600 0.074 0.000 1.169 402 S CA -1.176 57.077 58.200 0.088 0.000 0.958 402 S CB 1.300 64.555 63.200 0.092 0.000 1.095 402 S HN 0.531 nan 8.310 nan 0.000 0.471 403 P HA 0.165 nan 4.420 nan 0.000 0.214 403 P C -0.372 176.809 177.300 -0.198 0.000 1.163 403 P CA 0.830 63.961 63.100 0.052 0.000 0.881 403 P CB 0.088 32.024 31.700 0.393 0.000 0.775 404 Y N -0.820 119.489 120.300 0.015 0.000 2.621 404 Y HA 0.604 5.153 4.550 -0.001 0.000 0.334 404 Y C 0.539 176.423 175.900 -0.026 0.000 1.074 404 Y CA -0.912 57.187 58.100 -0.003 0.000 1.149 404 Y CB 1.529 39.993 38.460 0.007 0.000 1.302 404 Y HN -0.159 nan 8.280 nan 0.000 0.501 405 S N 0.758 116.514 115.700 0.093 0.000 2.546 405 S HA 0.685 5.154 4.470 -0.002 0.000 0.274 405 S C -1.476 173.136 174.600 0.020 0.000 1.121 405 S CA -1.072 57.130 58.200 0.004 0.000 0.887 405 S CB 2.357 65.479 63.200 -0.129 0.000 1.094 405 S HN 0.519 nan 8.310 nan 0.000 0.474 406 K N 0.636 121.038 120.400 0.002 0.000 2.578 406 K HA 0.719 5.038 4.320 -0.002 0.000 0.269 406 K C -2.062 174.515 176.600 -0.038 0.000 0.941 406 K CA -0.539 55.747 56.287 -0.002 0.000 0.847 406 K CB 1.868 34.388 32.500 0.033 0.000 1.397 406 K HN 0.819 nan 8.250 nan 0.000 0.422 407 A N 2.580 125.351 122.820 -0.082 0.000 2.604 407 A HA 0.652 4.971 4.320 -0.002 0.000 0.295 407 A C -1.878 175.572 177.584 -0.222 0.000 1.067 407 A CA -0.752 51.181 52.037 -0.174 0.000 0.683 407 A CB 1.704 20.570 19.000 -0.223 0.000 1.281 407 A HN 0.630 nan 8.150 nan 0.000 0.407 408 E N 0.139 120.173 120.200 -0.277 0.000 2.266 408 E HA 0.726 5.075 4.350 -0.002 0.000 0.268 408 E C -1.284 175.145 176.600 -0.285 0.000 0.879 408 E CA -0.253 55.989 56.400 -0.263 0.000 0.762 408 E CB 2.467 32.167 29.700 -0.001 0.000 1.199 408 E HN 0.531 nan 8.360 nan 0.000 0.422 409 I N 2.516 122.928 120.570 -0.264 0.000 2.466 409 I HA 0.435 4.604 4.170 -0.002 0.000 0.289 409 I C -1.257 174.878 176.117 0.030 0.000 1.026 409 I CA -0.973 60.266 61.300 -0.102 0.000 1.078 409 I CB 1.134 39.102 38.000 -0.054 0.000 1.249 409 I HN 0.427 nan 8.210 nan 0.000 0.429 410 F N 5.516 125.495 119.950 0.048 0.000 2.508 410 F HA 0.740 5.266 4.527 -0.002 0.000 0.325 410 F C -0.648 175.197 175.800 0.075 0.000 1.090 410 F CA -0.324 57.788 58.000 0.188 0.000 0.945 410 F CB 1.783 40.977 39.000 0.324 0.000 1.156 410 F HN 0.404 nan 8.300 nan 0.000 0.463 411 S N 5.205 120.346 115.700 -0.931 0.000 2.588 411 S HA 0.792 5.261 4.470 -0.002 0.000 0.275 411 S C -1.418 172.795 174.600 -0.645 0.000 1.130 411 S CA -0.812 57.016 58.200 -0.620 0.000 0.855 411 S CB 2.008 65.083 63.200 -0.208 0.000 1.116 411 S HN 0.653 nan 8.310 nan 0.000 0.472 412 L N 2.283 123.343 121.223 -0.271 0.000 2.388 412 L HA 0.819 5.158 4.340 -0.002 0.000 0.264 412 L C -1.558 175.272 176.870 -0.066 0.000 0.998 412 L CA -0.832 53.860 54.840 -0.247 0.000 0.817 412 L CB 1.715 43.720 42.059 -0.091 0.000 1.338 412 L HN 0.847 nan 8.230 nan 0.000 0.414 413 F N 0.814 120.717 119.950 -0.079 0.000 2.665 413 F HA 0.902 5.428 4.527 -0.002 0.000 0.308 413 F C -1.067 174.716 175.800 -0.029 0.000 1.112 413 F CA -1.062 56.913 58.000 -0.042 0.000 0.972 413 F CB 1.382 40.344 39.000 -0.064 0.000 1.295 413 F HN 0.417 nan 8.300 nan 0.000 0.440 414 A N 1.761 124.685 122.820 0.174 0.000 2.414 414 A HA 0.850 5.169 4.320 -0.002 0.000 0.306 414 A C -1.296 176.374 177.584 0.143 0.000 1.054 414 A CA -0.626 51.472 52.037 0.101 0.000 0.724 414 A CB 1.722 20.746 19.000 0.040 0.000 1.267 414 A HN 0.857 nan 8.150 nan 0.000 0.418 415 E N 0.621 120.889 120.200 0.113 0.000 2.356 415 E HA 0.461 4.810 4.350 -0.002 0.000 0.275 415 E C -1.633 174.994 176.600 0.046 0.000 0.904 415 E CA -0.914 55.533 56.400 0.079 0.000 0.757 415 E CB 2.452 32.199 29.700 0.077 0.000 1.232 415 E HN 0.528 nan 8.360 nan 0.000 0.442 416 N N 1.366 120.085 118.700 0.030 0.000 2.260 416 N HA 0.315 5.054 4.740 -0.002 0.000 0.293 416 N C -1.572 173.949 175.510 0.019 0.000 1.058 416 N CA -0.536 52.525 53.050 0.018 0.000 0.824 416 N CB 1.589 40.079 38.487 0.004 0.000 1.551 416 N HN 0.463 nan 8.380 nan 0.000 0.475 420 L N 0.899 122.140 121.223 0.029 0.000 2.093 420 L HA 0.031 4.370 4.340 -0.002 0.000 0.208 420 L C 1.486 178.372 176.870 0.027 0.000 1.085 420 L CA 1.753 56.611 54.840 0.030 0.000 0.755 420 L CB -0.500 41.577 42.059 0.029 0.000 0.904 420 L HN 0.549 nan 8.230 nan 0.000 0.435 421 T N -6.169 108.400 114.554 0.025 0.000 2.618 421 T HA 0.210 4.559 4.350 -0.002 0.000 0.286 421 T C 0.153 174.866 174.700 0.022 0.000 1.027 421 T CA -0.595 61.519 62.100 0.023 0.000 1.063 421 T CB 1.459 70.340 68.868 0.022 0.000 1.440 421 T HN -0.213 nan 8.240 nan 0.000 0.505 422 D N 0.576 120.988 120.400 0.021 0.000 2.317 422 D HA 0.098 4.737 4.640 -0.002 0.000 0.211 422 D C 1.802 178.115 176.300 0.022 0.000 0.966 422 D CA 1.493 55.505 54.000 0.020 0.000 0.876 422 D CB 0.095 40.906 40.800 0.019 0.000 0.927 422 D HN 0.599 nan 8.370 nan 0.000 0.519 423 S N -1.699 114.016 115.700 0.025 0.000 2.603 423 S HA 0.159 4.628 4.470 -0.002 0.000 0.232 423 S C 0.457 175.074 174.600 0.030 0.000 1.016 423 S CA -0.448 57.769 58.200 0.028 0.000 0.976 423 S CB 0.571 63.790 63.200 0.032 0.000 0.921 423 S HN -0.147 nan 8.310 nan 0.000 0.516 424 T N 2.658 117.229 114.554 0.027 0.000 2.809 424 T HA 0.654 5.003 4.350 -0.002 0.000 0.284 424 T C -0.791 173.925 174.700 0.027 0.000 0.992 424 T CA -0.327 61.790 62.100 0.028 0.000 0.957 424 T CB 1.216 70.100 68.868 0.027 0.000 0.942 424 T HN 0.261 nan 8.240 nan 0.000 0.439 425 I N 3.378 123.965 120.570 0.028 0.000 2.498 425 I HA 0.601 4.770 4.170 -0.002 0.000 0.290 425 I C -0.513 175.621 176.117 0.028 0.000 1.032 425 I CA -1.305 60.011 61.300 0.027 0.000 1.073 425 I CB 2.146 40.161 38.000 0.024 0.000 1.251 425 I HN 0.406 nan 8.210 nan 0.000 0.426 426 V N 1.492 121.422 119.914 0.027 0.000 2.588 426 V HA 0.691 4.810 4.120 -0.002 0.000 0.304 426 V C -0.465 175.643 176.094 0.025 0.000 1.042 426 V CA -0.261 62.055 62.300 0.027 0.000 0.877 426 V CB 1.653 33.492 31.823 0.027 0.000 0.996 426 V HN 0.733 nan 8.190 nan 0.000 0.425 427 T N 6.061 120.630 114.554 0.026 0.000 3.064 427 T HA 0.495 4.844 4.350 -0.002 0.000 0.367 427 T C -2.740 171.976 174.700 0.026 0.000 1.202 427 T CA -0.805 61.309 62.100 0.024 0.000 1.133 427 T CB 1.155 70.035 68.868 0.021 0.000 1.074 427 T HN 0.782 nan 8.240 nan 0.000 0.519 428 P HA 0.673 nan 4.420 nan 0.000 0.284 428 P C -0.242 177.081 177.300 0.038 0.000 1.258 428 P CA -0.272 62.847 63.100 0.031 0.000 0.824 428 P CB 1.989 33.705 31.700 0.026 0.000 1.038 429 G N 0.953 109.782 108.800 0.049 0.000 2.692 429 G HA2 0.621 4.580 3.960 -0.002 0.000 0.291 429 G HA3 0.621 4.580 3.960 -0.002 0.000 0.291 429 G C -2.255 172.700 174.900 0.092 0.000 1.423 429 G CA -0.605 44.534 45.100 0.065 0.000 0.843 429 G HN 0.574 nan 8.290 nan 0.000 0.486 430 L N 0.284 121.584 121.223 0.128 0.000 2.493 430 L HA 0.694 5.033 4.340 -0.002 0.000 0.265 430 L C -0.747 176.244 176.870 0.202 0.000 0.954 430 L CA -0.859 54.091 54.840 0.183 0.000 0.844 430 L CB 2.419 44.621 42.059 0.237 0.000 1.302 430 L HN 0.649 nan 8.230 nan 0.000 0.405 431 R N 3.201 123.800 120.500 0.166 0.000 2.599 431 R HA 0.495 4.834 4.340 -0.002 0.000 0.295 431 R C -1.938 174.352 176.300 -0.017 0.000 0.963 431 R CA -0.516 55.650 56.100 0.111 0.000 0.883 431 R CB 2.003 32.308 30.300 0.008 0.000 1.171 431 R HN 0.458 nan 8.270 nan 0.000 0.450 432 F N 3.919 123.696 119.950 -0.288 0.000 2.444 432 F HA 0.455 4.981 4.527 -0.001 0.000 0.342 432 F C -1.167 174.345 175.800 -0.480 0.000 1.121 432 F CA -0.696 56.907 58.000 -0.662 0.000 0.997 432 F CB 1.391 39.924 39.000 -0.778 0.000 1.130 432 F HN 0.460 nan 8.300 nan 0.000 0.454 433 D N 4.387 123.865 120.400 -1.537 0.000 2.649 433 D HA 0.147 4.786 4.640 -0.002 0.000 0.249 433 D C -1.362 174.250 176.300 -1.146 0.000 1.112 433 D CA -0.278 53.050 54.000 -1.120 0.000 0.850 433 D CB 1.846 42.134 40.800 -0.853 0.000 1.399 433 D HN 0.633 nan 8.370 nan 0.000 0.503 434 H N 2.285 120.966 119.070 -0.649 0.000 2.638 434 H HA 0.120 4.675 4.556 -0.002 0.000 0.317 434 H C -1.249 174.079 175.328 0.000 0.000 1.006 434 H CA -0.307 55.593 56.048 -0.247 0.000 1.222 434 H CB 0.927 30.722 29.762 0.056 0.000 1.419 434 H HN 0.441 nan 8.280 nan 0.000 0.489 435 H N 3.917 122.590 119.070 -0.662 0.000 2.489 435 H HA 0.045 4.600 4.556 -0.002 0.000 0.322 435 H C 0.820 175.872 175.328 -0.461 0.000 1.091 435 H CA 0.493 56.318 56.048 -0.371 0.000 1.291 435 H CB 1.560 31.246 29.762 -0.126 0.000 1.436 435 H HN 0.785 nan 8.280 nan 0.000 0.480 436 S N 4.156 119.597 115.700 -0.431 0.000 2.400 436 S HA -0.139 4.330 4.470 -0.002 0.000 0.232 436 S C 1.786 176.397 174.600 0.019 0.000 1.025 436 S CA 1.305 59.438 58.200 -0.112 0.000 0.993 436 S CB -0.124 63.028 63.200 -0.080 0.000 0.808 436 S HN 0.687 nan 8.310 nan 0.000 0.478 437 I N 0.351 121.002 120.570 0.135 0.000 2.927 437 I HA 0.087 4.256 4.170 -0.002 0.000 0.268 437 I C 1.802 178.040 176.117 0.202 0.000 1.153 437 I CA 0.408 61.828 61.300 0.201 0.000 1.459 437 I CB 0.139 38.282 38.000 0.237 0.000 1.149 437 I HN 0.183 nan 8.210 nan 0.000 0.443 438 V N 0.517 120.618 119.914 0.312 0.000 3.506 438 V HA 0.361 4.480 4.120 -0.002 0.000 0.263 438 V C 1.021 177.138 176.094 0.038 0.000 1.203 438 V CA 0.697 63.022 62.300 0.042 0.000 1.133 438 V CB -0.795 30.895 31.823 -0.223 0.000 0.802 438 V HN 0.646 nan 8.190 nan 0.000 0.459 439 G N 0.739 109.547 108.800 0.012 0.000 2.500 439 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.209 439 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.209 439 G C -0.585 174.281 174.900 -0.056 0.000 1.283 439 G CA -0.287 44.824 45.100 0.019 0.000 0.960 439 G HN 0.400 nan 8.290 nan 0.000 0.528 440 N N 0.431 119.175 118.700 0.073 0.000 2.524 440 N HA 0.488 5.227 4.740 -0.002 0.000 0.283 440 N C -0.290 175.150 175.510 -0.118 0.000 1.142 440 N CA -0.107 52.935 53.050 -0.014 0.000 0.984 440 N CB 1.138 39.797 38.487 0.287 0.000 1.155 440 N HN 0.749 nan 8.380 nan 0.000 0.467 441 N N 1.052 119.492 118.700 -0.433 0.000 2.310 441 N HA 0.340 5.080 4.740 -0.002 0.000 0.292 441 N C -2.114 173.097 175.510 -0.498 0.000 1.049 441 N CA -0.640 52.170 53.050 -0.399 0.000 0.849 441 N CB 1.144 39.174 38.487 -0.762 0.000 1.532 441 N HN 0.419 nan 8.380 nan 0.000 0.479 442 W N 2.186 123.453 121.300 -0.054 0.000 2.475 442 W HA 0.508 5.167 4.660 -0.002 0.000 0.317 442 W C -0.453 176.058 176.519 -0.013 0.000 1.046 442 W CA -0.612 56.748 57.345 0.024 0.000 1.215 442 W CB 2.151 31.667 29.460 0.094 0.000 1.335 442 W HN 0.343 nan 8.180 nan 0.000 0.471 443 S N 4.731 120.522 115.700 0.152 0.000 2.622 443 S HA 0.421 4.890 4.470 -0.002 0.000 0.283 443 S C -2.525 172.158 174.600 0.137 0.000 1.197 443 S CA -1.177 57.086 58.200 0.105 0.000 1.146 443 S CB 0.818 64.025 63.200 0.011 0.000 1.007 443 S HN 0.076 nan 8.310 nan 0.000 0.478 444 P HA 0.639 nan 4.420 nan 0.000 0.282 444 P C -1.211 176.138 177.300 0.083 0.000 1.249 444 P CA -0.470 62.702 63.100 0.120 0.000 0.806 444 P CB 1.082 32.847 31.700 0.107 0.000 0.984 445 A N 2.229 125.091 122.820 0.069 0.000 2.539 445 A HA 0.800 5.119 4.320 -0.002 0.000 0.296 445 A C -1.967 175.645 177.584 0.047 0.000 1.073 445 A CA -0.585 51.483 52.037 0.052 0.000 0.700 445 A CB 1.235 20.257 19.000 0.036 0.000 1.296 445 A HN 0.511 nan 8.150 nan 0.000 0.405 446 L N 1.450 122.700 121.223 0.046 0.000 2.562 446 L HA 0.601 4.940 4.340 -0.002 0.000 0.266 446 L C -1.520 175.376 176.870 0.044 0.000 0.949 446 L CA -0.150 54.716 54.840 0.043 0.000 0.879 446 L CB 1.773 43.859 42.059 0.044 0.000 1.278 446 L HN 0.752 nan 8.230 nan 0.000 0.404 447 N N 5.714 124.437 118.700 0.039 0.000 2.284 447 N HA 0.777 5.516 4.740 -0.002 0.000 0.300 447 N C -1.321 174.212 175.510 0.039 0.000 1.047 447 N CA -0.628 52.447 53.050 0.041 0.000 0.821 447 N CB 2.048 40.556 38.487 0.034 0.000 1.337 447 N HN 0.385 nan 8.380 nan 0.000 0.482 448 I N 0.577 121.173 120.570 0.044 0.000 2.646 448 I HA 0.493 4.662 4.170 -0.002 0.000 0.299 448 I C -0.340 175.803 176.117 0.044 0.000 1.036 448 I CA -0.614 60.711 61.300 0.042 0.000 1.074 448 I CB 1.639 39.666 38.000 0.045 0.000 1.258 448 I HN 0.415 nan 8.210 nan 0.000 0.430 449 S N 4.065 119.789 115.700 0.039 0.000 2.672 449 S HA 0.539 5.008 4.470 -0.002 0.000 0.291 449 S C -1.073 173.551 174.600 0.040 0.000 1.145 449 S CA -0.389 57.835 58.200 0.040 0.000 1.013 449 S CB 1.233 64.452 63.200 0.033 0.000 1.017 449 S HN 0.589 nan 8.310 nan 0.000 0.487 450 Q N 3.326 123.154 119.800 0.047 0.000 2.290 450 Q HA 0.609 4.948 4.340 -0.002 0.000 0.269 450 Q C -0.115 175.919 176.000 0.058 0.000 1.016 450 Q CA -0.321 55.510 55.803 0.047 0.000 0.754 450 Q CB 1.472 30.236 28.738 0.045 0.000 1.247 450 Q HN 0.801 nan 8.270 nan 0.000 0.451 451 G N 3.476 112.308 108.800 0.054 0.000 2.398 451 G HA2 0.340 4.299 3.960 -0.002 0.000 0.246 451 G HA3 0.340 4.299 3.960 -0.002 0.000 0.246 451 G C -0.049 174.897 174.900 0.076 0.000 1.289 451 G CA -0.301 44.840 45.100 0.067 0.000 0.869 451 G HN 0.741 nan 8.290 nan 0.000 0.543 452 L N 2.072 123.361 121.223 0.111 0.000 2.959 452 L HA 0.365 4.704 4.340 -0.002 0.000 0.259 452 L C 1.302 178.231 176.870 0.098 0.000 1.185 452 L CA 0.278 55.173 54.840 0.093 0.000 0.998 452 L CB -0.558 41.560 42.059 0.098 0.000 1.337 452 L HN 0.984 nan 8.230 nan 0.000 0.555 453 G N 0.100 108.975 108.800 0.124 0.000 2.781 453 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.683 453 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.683 453 G C -0.130 174.916 174.900 0.244 0.000 1.390 453 G CA -0.457 44.720 45.100 0.129 0.000 0.850 453 G HN 0.387 nan 8.290 nan 0.000 0.557 454 D N 0.252 120.792 120.400 0.232 0.000 2.811 454 D HA -0.169 4.470 4.640 -0.002 0.000 0.231 454 D C 0.598 177.191 176.300 0.489 0.000 1.157 454 D CA 1.749 55.965 54.000 0.360 0.000 0.716 454 D CB -0.740 40.296 40.800 0.394 0.000 1.077 454 D HN 1.145 nan 8.370 nan 0.000 0.428 455 D N -1.994 118.547 120.400 0.236 0.000 2.945 455 D HA -0.242 4.397 4.640 -0.002 0.000 0.225 455 D C -0.062 176.182 176.300 -0.093 0.000 1.158 455 D CA 0.932 54.931 54.000 -0.003 0.000 0.805 455 D CB -1.466 39.205 40.800 -0.214 0.000 1.098 455 D HN 0.385 nan 8.370 nan 0.000 0.426 456 F N 0.194 120.214 119.950 0.115 0.000 2.422 456 F HA 0.497 5.023 4.527 -0.002 0.000 0.333 456 F C 1.131 176.969 175.800 0.064 0.000 1.095 456 F CA 0.043 58.125 58.000 0.137 0.000 1.038 456 F CB 1.903 40.998 39.000 0.160 0.000 1.156 456 F HN -0.369 nan 8.300 nan 0.000 0.483 457 T N 3.896 118.581 114.554 0.219 0.000 2.909 457 T HA 0.469 4.818 4.350 -0.002 0.000 0.299 457 T C -1.397 173.387 174.700 0.139 0.000 1.073 457 T CA -0.661 61.521 62.100 0.137 0.000 0.999 457 T CB 1.812 70.719 68.868 0.064 0.000 1.098 457 T HN 0.422 nan 8.240 nan 0.000 0.477 458 L N 2.556 123.844 121.223 0.108 0.000 2.322 458 L HA 0.674 5.013 4.340 -0.002 0.000 0.281 458 L C -0.679 176.238 176.870 0.079 0.000 1.014 458 L CA -0.566 54.332 54.840 0.097 0.000 0.815 458 L CB 1.343 43.450 42.059 0.080 0.000 1.247 458 L HN 0.626 nan 8.230 nan 0.000 0.421 462 I N 0.281 120.893 120.570 0.070 0.000 2.680 462 I HA 0.761 4.930 4.170 -0.002 0.000 0.291 462 I C -0.804 175.348 176.117 0.058 0.000 1.244 462 I CA -0.781 60.562 61.300 0.072 0.000 1.042 462 I CB 1.896 39.947 38.000 0.085 0.000 1.277 462 I HN 1.303 nan 8.210 nan 0.000 0.423 463 A N 6.676 129.529 122.820 0.054 0.000 2.604 463 A HA 0.637 4.956 4.320 -0.002 0.000 0.295 463 A C -1.509 176.110 177.584 0.058 0.000 1.067 463 A CA -0.747 51.322 52.037 0.053 0.000 0.683 463 A CB 1.942 20.966 19.000 0.040 0.000 1.281 463 A HN 0.731 nan 8.150 nan 0.000 0.407 464 R N 1.197 121.738 120.500 0.069 0.000 2.207 464 R HA 0.596 4.935 4.340 -0.002 0.000 0.334 464 R C 0.161 176.512 176.300 0.085 0.000 1.013 464 R CA 0.076 56.226 56.100 0.083 0.000 0.858 464 R CB 0.999 31.359 30.300 0.100 0.000 1.094 464 R HN 1.006 nan 8.270 nan 0.000 0.457 465 A N 3.628 126.499 122.820 0.084 0.000 2.272 465 A HA 0.294 4.613 4.320 -0.002 0.000 0.275 465 A C -1.414 176.277 177.584 0.179 0.000 1.096 465 A CA -0.256 51.837 52.037 0.094 0.000 0.822 465 A CB 0.559 19.578 19.000 0.032 0.000 1.088 465 A HN 0.746 nan 8.150 nan 0.000 0.495 466 Y N -0.067 120.231 120.300 -0.004 0.000 2.396 466 Y HA 0.572 5.122 4.550 -0.001 0.000 0.332 466 Y C -0.671 175.216 175.900 -0.021 0.000 1.034 466 Y CA -0.744 57.348 58.100 -0.013 0.000 1.057 466 Y CB 1.621 40.057 38.460 -0.040 0.000 1.220 466 Y HN 0.666 nan 8.280 nan 0.000 0.440 467 K N 5.289 125.416 120.400 -0.455 0.000 2.578 467 K HA 0.816 5.135 4.320 -0.002 0.000 0.250 467 K C -1.389 174.818 176.600 -0.654 0.000 0.955 467 K CA -0.643 55.338 56.287 -0.510 0.000 0.825 467 K CB 1.180 33.561 32.500 -0.198 0.000 1.151 467 K HN 0.816 nan 8.250 nan 0.000 0.432 468 A N 5.173 127.518 122.820 -0.791 0.000 2.388 468 A HA 0.453 4.772 4.320 -0.002 0.000 0.257 468 A C -2.173 175.198 177.584 -0.356 0.000 1.095 468 A CA -1.189 50.494 52.037 -0.591 0.000 0.791 468 A CB -0.123 18.595 19.000 -0.469 0.000 1.029 468 A HN 0.602 nan 8.150 nan 0.000 0.489 469 P HA 0.121 nan 4.420 nan 0.000 0.271 469 P C 0.126 177.314 177.300 -0.187 0.000 1.233 469 P CA -0.044 62.912 63.100 -0.239 0.000 0.789 469 P CB 0.633 32.202 31.700 -0.218 0.000 0.951 470 S N 0.672 116.259 115.700 -0.188 0.000 2.624 470 S HA 0.156 4.625 4.470 -0.002 0.000 0.263 470 S C 1.654 176.177 174.600 -0.128 0.000 1.287 470 S CA -0.699 57.424 58.200 -0.129 0.000 0.990 470 S CB -0.044 63.095 63.200 -0.102 0.000 0.950 470 S HN 0.371 nan 8.310 nan 0.000 0.561 471 L N -0.100 121.030 121.223 -0.156 0.000 2.127 471 L HA -0.152 4.187 4.340 -0.002 0.000 0.211 471 L C 2.229 178.915 176.870 -0.306 0.000 1.089 471 L CA 1.578 56.278 54.840 -0.233 0.000 0.757 471 L CB -0.747 41.114 42.059 -0.330 0.000 0.899 471 L HN 0.740 nan 8.230 nan 0.000 0.434 472 Y N 0.015 120.134 120.300 -0.301 0.000 2.163 472 Y HA -0.252 4.297 4.550 -0.002 0.000 0.288 472 Y C 2.752 178.477 175.900 -0.292 0.000 1.136 472 Y CA 1.255 59.080 58.100 -0.459 0.000 1.147 472 Y CB -0.374 37.578 38.460 -0.846 0.000 0.987 472 Y HN 0.180 nan 8.280 nan 0.000 0.509 473 Q N -0.685 118.956 119.800 -0.264 0.000 2.364 473 Q HA -0.094 4.245 4.340 -0.002 0.000 0.207 473 Q C 1.516 177.467 176.000 -0.081 0.000 0.970 473 Q CA 1.582 57.128 55.803 -0.429 0.000 0.888 473 Q CB -0.209 28.135 28.738 -0.657 0.000 0.951 473 Q HN 0.530 nan 8.270 nan 0.000 0.469 474 T N -2.812 111.716 114.554 -0.044 0.000 3.092 474 T HA 0.123 4.472 4.350 -0.002 0.000 0.258 474 T C 0.290 175.026 174.700 0.059 0.000 1.031 474 T CA -0.462 61.649 62.100 0.018 0.000 0.925 474 T CB 0.155 69.026 68.868 0.005 0.000 1.036 474 T HN -0.074 nan 8.240 nan 0.000 0.544 475 N N 2.158 120.912 118.700 0.091 0.000 2.444 475 N HA 0.350 5.089 4.740 -0.002 0.000 0.262 475 N C -2.328 173.293 175.510 0.186 0.000 0.974 475 N CA -2.224 50.898 53.050 0.119 0.000 0.933 475 N CB 2.316 40.862 38.487 0.100 0.000 1.137 475 N HN -0.066 nan 8.380 nan 0.000 0.498 476 P HA -0.023 nan 4.420 nan 0.000 0.220 476 P C 0.616 177.996 177.300 0.134 0.000 1.148 476 P CA 0.923 64.099 63.100 0.127 0.000 0.803 476 P CB 0.439 32.191 31.700 0.086 0.000 0.782 477 N N -1.764 117.021 118.700 0.142 0.000 2.459 477 N HA -0.128 4.611 4.740 -0.002 0.000 0.181 477 N C 0.312 175.947 175.510 0.208 0.000 1.046 477 N CA 0.454 53.589 53.050 0.142 0.000 0.904 477 N CB -0.519 38.043 38.487 0.126 0.000 0.964 477 N HN 0.317 nan 8.380 nan 0.000 0.444 478 Y N 2.218 122.605 120.300 0.145 0.000 2.452 478 Y HA 0.226 4.775 4.550 -0.001 0.000 0.348 478 Y C -0.311 175.724 175.900 0.225 0.000 0.985 478 Y CA -0.605 57.621 58.100 0.211 0.000 1.214 478 Y CB 0.161 38.794 38.460 0.287 0.000 1.136 478 Y HN -0.198 nan 8.280 nan 0.000 0.523 479 I N 6.819 127.249 120.570 -0.234 0.000 2.957 479 I HA 0.484 4.653 4.170 -0.002 0.000 0.310 479 I C -0.763 175.208 176.117 -0.242 0.000 1.063 479 I CA -1.442 59.763 61.300 -0.158 0.000 1.033 479 I CB 1.749 39.773 38.000 0.039 0.000 1.230 479 I HN 0.601 nan 8.210 nan 0.000 0.447 480 L N 3.080 124.297 121.223 -0.011 0.000 2.482 480 L HA 0.413 4.752 4.340 -0.002 0.000 0.263 480 L C -1.466 175.646 176.870 0.403 0.000 0.957 480 L CA -0.720 54.196 54.840 0.127 0.000 0.836 480 L CB 2.763 44.871 42.059 0.081 0.000 1.324 480 L HN 0.461 nan 8.230 nan 0.000 0.406 481 Y N 1.901 122.318 120.300 0.196 0.000 2.487 481 Y HA 0.686 5.235 4.550 -0.002 0.000 0.337 481 Y C -0.232 175.629 175.900 -0.065 0.000 1.076 481 Y CA -0.786 57.297 58.100 -0.027 0.000 1.115 481 Y CB 2.148 40.490 38.460 -0.197 0.000 1.235 481 Y HN 0.538 nan 8.280 nan 0.000 0.468 482 S N 2.938 117.816 115.700 -1.369 0.000 2.614 482 S HA 0.614 5.083 4.470 -0.002 0.000 0.288 482 S C -1.085 172.687 174.600 -1.380 0.000 1.137 482 S CA -0.694 56.834 58.200 -1.120 0.000 0.992 482 S CB 0.862 63.301 63.200 -1.268 0.000 1.026 482 S HN 1.025 nan 8.310 nan 0.000 0.486 483 K N 1.727 121.671 120.400 -0.760 0.000 2.319 483 K HA 0.530 4.849 4.320 -0.002 0.000 0.277 483 K C 0.628 176.989 176.600 -0.399 0.000 1.111 483 K CA 0.162 56.224 56.287 -0.375 0.000 1.093 483 K CB -0.907 31.527 32.500 -0.110 0.000 0.910 483 K HN 1.911 nan 8.250 nan 0.000 0.452 484 G N -1.074 107.515 108.800 -0.352 0.000 2.429 484 G HA2 0.798 4.757 3.960 -0.002 0.000 0.300 484 G HA3 0.798 4.757 3.960 -0.002 0.000 0.300 484 G C -0.689 174.143 174.900 -0.114 0.000 1.598 484 G CA 1.167 46.116 45.100 -0.251 0.000 0.863 484 G HN 1.857 nan 8.290 nan 0.000 0.614 494 C N 1.564 120.967 119.300 0.172 0.000 2.947 494 C HA 0.844 5.303 4.460 -0.002 0.000 0.337 494 C C 0.242 175.250 174.990 0.030 0.000 2.005 494 C CA 0.258 59.269 59.018 -0.013 0.000 2.072 494 C CB -0.009 27.867 27.740 0.227 0.000 1.873 494 C HN 0.622 nan 8.230 nan 0.000 0.682 495 Y N 0.412 121.037 120.300 0.541 0.000 2.468 495 Y HA 0.739 5.288 4.550 -0.002 0.000 0.342 495 Y C -0.433 175.651 175.900 0.307 0.000 1.021 495 Y CA -0.677 57.704 58.100 0.469 0.000 1.079 495 Y CB 1.618 40.267 38.460 0.314 0.000 1.226 495 Y HN 0.433 nan 8.280 nan 0.000 0.460 496 L N 4.419 125.698 121.223 0.093 0.000 2.406 496 L HA 0.464 4.804 4.340 -0.002 0.000 0.272 496 L C -1.443 175.286 176.870 -0.235 0.000 0.980 496 L CA -0.466 54.094 54.840 -0.465 0.000 0.831 496 L CB 1.690 42.736 42.059 -1.687 0.000 1.253 496 L HN 0.849 nan 8.230 nan 0.000 0.406 497 Q N 3.499 123.231 119.800 -0.112 0.000 2.445 497 Q HA 0.711 5.050 4.340 -0.002 0.000 0.281 497 Q C 0.171 176.306 176.000 0.225 0.000 1.101 497 Q CA -0.784 55.053 55.803 0.056 0.000 0.833 497 Q CB 1.679 30.461 28.738 0.073 0.000 1.416 497 Q HN 0.575 nan 8.270 nan 0.000 0.451 498 G N 0.784 109.802 108.800 0.364 0.000 2.597 498 G HA2 0.120 4.079 3.960 -0.002 0.000 0.283 498 G HA3 0.120 4.079 3.960 -0.002 0.000 0.283 498 G C -0.386 174.673 174.900 0.264 0.000 1.319 498 G CA -0.029 45.318 45.100 0.413 0.000 1.054 498 G HN 0.662 nan 8.290 nan 0.000 0.583 499 N N -0.479 118.340 118.700 0.199 0.000 2.875 499 N HA -0.011 4.728 4.740 -0.002 0.000 0.253 499 N C 0.318 175.880 175.510 0.087 0.000 1.296 499 N CA -0.259 52.869 53.050 0.130 0.000 0.816 499 N CB 0.872 39.441 38.487 0.138 0.000 1.504 499 N HN 0.522 nan 8.380 nan 0.000 0.582 500 D N 0.460 120.904 120.400 0.073 0.000 2.392 500 D HA -0.081 4.558 4.640 -0.002 0.000 0.228 500 D C -0.407 175.921 176.300 0.047 0.000 1.003 500 D CA 0.453 54.488 54.000 0.058 0.000 0.917 500 D CB 0.395 41.231 40.800 0.059 0.000 0.890 500 D HN 0.332 nan 8.370 nan 0.000 0.532 501 D N 0.491 120.918 120.400 0.045 0.000 2.368 501 D HA 0.166 4.805 4.640 -0.002 0.000 0.218 501 D C 0.649 176.964 176.300 0.025 0.000 1.112 501 D CA -0.288 53.734 54.000 0.036 0.000 0.834 501 D CB 0.710 41.532 40.800 0.036 0.000 0.953 501 D HN 0.273 nan 8.370 nan 0.000 0.505 502 L N 1.315 122.549 121.223 0.018 0.000 2.490 502 L HA 0.007 4.346 4.340 -0.002 0.000 0.274 502 L C 1.030 177.885 176.870 -0.024 0.000 1.201 502 L CA 0.537 55.377 54.840 -0.001 0.000 0.869 502 L CB 0.645 42.696 42.059 -0.014 0.000 1.123 502 L HN -0.305 nan 8.230 nan 0.000 0.484 503 K N 2.193 122.580 120.400 -0.021 0.000 2.107 503 K HA 0.499 4.818 4.320 -0.002 0.000 0.251 503 K C -0.077 176.492 176.600 -0.051 0.000 1.012 503 K CA -0.716 55.560 56.287 -0.019 0.000 0.920 503 K CB 1.045 33.547 32.500 0.003 0.000 1.033 503 K HN 0.664 nan 8.250 nan 0.000 0.478 504 A N 1.737 124.536 122.820 -0.035 0.000 2.366 504 A HA 0.091 4.410 4.320 -0.002 0.000 0.249 504 A C -0.253 177.313 177.584 -0.029 0.000 1.084 504 A CA -0.273 51.719 52.037 -0.074 0.000 0.794 504 A CB 0.138 19.166 19.000 0.046 0.000 1.034 504 A HN 0.694 nan 8.150 nan 0.000 0.491 505 E N 0.088 120.247 120.200 -0.069 0.000 2.343 505 E HA 0.438 4.787 4.350 -0.002 0.000 0.269 505 E C -0.534 176.126 176.600 0.100 0.000 1.047 505 E CA -0.047 56.362 56.400 0.016 0.000 0.874 505 E CB 0.988 30.732 29.700 0.073 0.000 1.033 505 E HN 0.522 nan 8.360 nan 0.000 0.409 506 T N 0.757 115.405 114.554 0.157 0.000 2.896 506 T HA 0.434 4.783 4.350 -0.002 0.000 0.297 506 T C -1.215 173.625 174.700 0.232 0.000 1.108 506 T CA -0.574 61.639 62.100 0.188 0.000 1.004 506 T CB 1.746 70.708 68.868 0.157 0.000 1.159 506 T HN 0.279 nan 8.240 nan 0.000 0.499 507 S N 1.747 117.551 115.700 0.174 0.000 2.649 507 S HA 0.510 4.979 4.470 -0.002 0.000 0.274 507 S C -1.106 173.551 174.600 0.094 0.000 1.176 507 S CA -0.618 57.672 58.200 0.150 0.000 0.988 507 S CB 0.410 63.648 63.200 0.064 0.000 1.071 507 S HN 0.579 nan 8.310 nan 0.000 0.478 508 I N 4.839 125.467 120.570 0.095 0.000 2.308 508 I HA 0.286 4.455 4.170 -0.002 0.000 0.293 508 I C -0.291 175.860 176.117 0.056 0.000 1.078 508 I CA -0.483 60.864 61.300 0.078 0.000 1.292 508 I CB 0.369 38.420 38.000 0.086 0.000 1.423 508 I HN 0.440 nan 8.210 nan 0.000 0.493 509 N N 7.372 126.094 118.700 0.036 0.000 2.400 509 N HA 0.492 5.231 4.740 -0.002 0.000 0.288 509 N C -0.795 174.729 175.510 0.023 0.000 1.024 509 N CA -0.655 52.400 53.050 0.008 0.000 0.894 509 N CB 1.916 40.387 38.487 -0.027 0.000 1.173 509 N HN 0.464 nan 8.380 nan 0.000 0.487 510 K N 0.610 121.015 120.400 0.009 0.000 2.435 510 K HA 0.536 4.855 4.320 -0.002 0.000 0.251 510 K C -0.746 175.862 176.600 0.012 0.000 0.954 510 K CA -0.904 55.413 56.287 0.050 0.000 0.820 510 K CB 2.614 35.191 32.500 0.129 0.000 1.292 510 K HN 0.629 nan 8.250 nan 0.000 0.436 511 E N 1.879 122.147 120.200 0.115 0.000 2.363 511 E HA 0.451 4.800 4.350 -0.002 0.000 0.281 511 E C -1.386 175.370 176.600 0.261 0.000 0.953 511 E CA -0.823 55.675 56.400 0.163 0.000 0.778 511 E CB 1.514 31.275 29.700 0.102 0.000 1.220 511 E HN 0.444 nan 8.360 nan 0.000 0.431 512 I N 1.583 122.372 120.570 0.365 0.000 2.533 512 I HA 0.653 4.822 4.170 -0.002 0.000 0.290 512 I C -0.169 176.091 176.117 0.239 0.000 1.056 512 I CA -0.821 60.645 61.300 0.276 0.000 1.057 512 I CB 2.263 40.427 38.000 0.274 0.000 1.240 512 I HN 0.722 nan 8.210 nan 0.000 0.423 513 G N 5.904 114.803 108.800 0.165 0.000 2.620 513 G HA2 0.787 4.746 3.960 -0.002 0.000 0.301 513 G HA3 0.787 4.746 3.960 -0.002 0.000 0.301 513 G C -1.693 173.282 174.900 0.126 0.000 1.347 513 G CA -0.518 44.669 45.100 0.145 0.000 0.971 513 G HN 0.405 nan 8.290 nan 0.000 0.488 514 L N 0.699 122.001 121.223 0.131 0.000 2.362 514 L HA 0.652 4.991 4.340 -0.002 0.000 0.275 514 L C -0.348 176.606 176.870 0.141 0.000 0.998 514 L CA -0.588 54.343 54.840 0.152 0.000 0.820 514 L CB 2.284 44.445 42.059 0.171 0.000 1.270 514 L HN 0.612 nan 8.230 nan 0.000 0.415 515 E N 3.139 123.418 120.200 0.132 0.000 2.290 515 E HA 0.287 4.636 4.350 -0.002 0.000 0.274 515 E C -1.904 174.675 176.600 -0.035 0.000 0.889 515 E CA -0.690 55.746 56.400 0.060 0.000 0.760 515 E CB 2.144 31.854 29.700 0.016 0.000 1.206 515 E HN 0.360 nan 8.360 nan 0.000 0.419 516 F N 4.395 124.180 119.950 -0.275 0.000 2.420 516 F HA 0.545 5.071 4.527 -0.002 0.000 0.342 516 F C -0.930 174.704 175.800 -0.277 0.000 1.113 516 F CA -0.380 57.259 58.000 -0.602 0.000 1.059 516 F CB 0.991 39.472 39.000 -0.866 0.000 1.128 516 F HN 0.337 nan 8.300 nan 0.000 0.475 517 K N 6.720 126.352 120.400 -1.281 0.000 2.553 517 K HA 0.623 4.942 4.320 -0.002 0.000 0.250 517 K C -1.722 174.462 176.600 -0.694 0.000 0.953 517 K CA -0.775 55.035 56.287 -0.796 0.000 0.800 517 K CB 1.566 33.849 32.500 -0.362 0.000 1.243 517 K HN 0.974 nan 8.250 nan 0.000 0.435 518 R N 2.426 122.689 120.500 -0.395 0.000 3.681 518 R HA 0.158 4.497 4.340 -0.002 0.000 0.252 518 R C -1.474 174.896 176.300 0.116 0.000 1.000 518 R CA -0.617 55.403 56.100 -0.133 0.000 1.056 518 R CB 0.234 30.445 30.300 -0.149 0.000 1.243 518 R HN 0.549 nan 8.270 nan 0.000 0.549 519 D N 1.313 121.763 120.400 0.083 0.000 2.837 519 D HA -0.184 4.455 4.640 -0.002 0.000 0.230 519 D C 0.992 177.343 176.300 0.085 0.000 1.152 519 D CA 2.686 56.763 54.000 0.128 0.000 0.736 519 D CB -1.113 39.832 40.800 0.242 0.000 1.084 519 D HN 1.318 nan 8.370 nan 0.000 0.429 520 G N -1.877 106.930 108.800 0.011 0.000 2.175 520 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.244 520 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.244 520 G C -0.004 174.795 174.900 -0.169 0.000 0.982 520 G CA 0.110 45.151 45.100 -0.098 0.000 0.641 520 G HN 0.262 nan 8.290 nan 0.000 0.527 521 W N -0.025 121.274 121.300 -0.002 0.000 2.390 521 W HA 0.783 5.442 4.660 -0.002 0.000 0.312 521 W C 0.250 176.747 176.519 -0.036 0.000 1.123 521 W CA -0.763 56.609 57.345 0.045 0.000 1.202 521 W CB 1.323 30.895 29.460 0.188 0.000 1.251 521 W HN 0.267 nan 8.180 nan 0.000 0.511 522 L N 3.297 124.664 121.223 0.241 0.000 2.493 522 L HA 0.839 5.178 4.340 -0.002 0.000 0.265 522 L C -1.114 175.853 176.870 0.162 0.000 0.954 522 L CA -0.545 54.362 54.840 0.112 0.000 0.844 522 L CB 1.576 43.635 42.059 0.000 0.000 1.302 522 L HN 0.482 nan 8.230 nan 0.000 0.405 523 A N 3.245 126.166 122.820 0.168 0.000 2.408 523 A HA 0.916 5.235 4.320 -0.002 0.000 0.295 523 A C -0.710 176.935 177.584 0.100 0.000 1.040 523 A CA 0.110 52.235 52.037 0.147 0.000 0.707 523 A CB 1.659 20.781 19.000 0.203 0.000 1.235 523 A HN 0.917 nan 8.150 nan 0.000 0.418 524 G N 0.084 108.926 108.800 0.070 0.000 2.733 524 G HA2 0.617 4.576 3.960 -0.002 0.000 0.297 524 G HA3 0.617 4.576 3.960 -0.002 0.000 0.297 524 G C -1.714 173.232 174.900 0.076 0.000 1.422 524 G CA -0.481 44.663 45.100 0.073 0.000 0.942 524 G HN 1.089 nan 8.290 nan 0.000 0.510 525 V N 0.571 120.544 119.914 0.098 0.000 2.656 525 V HA 0.813 4.932 4.120 -0.002 0.000 0.307 525 V C -0.228 175.948 176.094 0.137 0.000 1.051 525 V CA -0.572 61.793 62.300 0.108 0.000 0.893 525 V CB 2.138 34.024 31.823 0.105 0.000 0.999 525 V HN 0.870 nan 8.190 nan 0.000 0.426 526 T N 3.405 118.057 114.554 0.163 0.000 2.916 526 T HA 0.465 4.814 4.350 -0.002 0.000 0.298 526 T C -1.486 173.380 174.700 0.277 0.000 1.031 526 T CA -0.407 61.818 62.100 0.208 0.000 0.993 526 T CB 1.650 70.623 68.868 0.174 0.000 1.045 526 T HN 0.728 nan 8.240 nan 0.000 0.454 527 W N 5.929 127.285 121.300 0.095 0.000 2.606 527 W HA 0.716 5.375 4.660 -0.001 0.000 0.332 527 W C -1.905 174.673 176.519 0.100 0.000 1.052 527 W CA -1.381 55.978 57.345 0.023 0.000 1.223 527 W CB 0.868 30.320 29.460 -0.014 0.000 1.383 527 W HN 0.642 nan 8.180 nan 0.000 0.524 528 F N 3.638 122.986 119.950 -1.004 0.000 2.626 528 F HA 0.792 5.318 4.527 -0.002 0.000 0.311 528 F C -1.284 173.742 175.800 -1.289 0.000 1.088 528 F CA -1.874 55.531 58.000 -0.992 0.000 0.949 528 F CB 1.766 40.505 39.000 -0.435 0.000 1.322 528 F HN 0.507 nan 8.300 nan 0.000 0.461 529 R N 2.285 122.359 120.500 -0.710 0.000 2.536 529 R HA 0.480 4.819 4.340 -0.002 0.000 0.269 529 R C -2.263 173.976 176.300 -0.102 0.000 1.113 529 R CA -0.677 55.170 56.100 -0.421 0.000 0.948 529 R CB 1.510 31.531 30.300 -0.464 0.000 1.237 529 R HN 0.860 nan 8.270 nan 0.000 0.441 530 N N 2.367 121.059 118.700 -0.012 0.000 2.354 530 N HA 0.277 5.016 4.740 -0.002 0.000 0.287 530 N C -1.711 173.835 175.510 0.060 0.000 1.016 530 N CA -0.529 52.529 53.050 0.014 0.000 0.871 530 N CB 2.041 40.514 38.487 -0.023 0.000 1.299 530 N HN 0.481 nan 8.380 nan 0.000 0.482 531 D N 1.640 122.092 120.400 0.086 0.000 2.454 531 D HA 0.050 4.689 4.640 -0.002 0.000 0.225 531 D C -0.617 175.792 176.300 0.181 0.000 1.081 531 D CA -0.097 53.975 54.000 0.120 0.000 0.864 531 D CB 1.212 42.073 40.800 0.101 0.000 1.040 531 D HN 0.478 nan 8.370 nan 0.000 0.517 532 Y N 3.374 123.692 120.300 0.031 0.000 2.365 532 Y HA 0.151 4.700 4.550 -0.002 0.000 0.340 532 Y C 0.026 175.946 175.900 0.032 0.000 1.016 532 Y CA -0.738 57.378 58.100 0.027 0.000 1.196 532 Y CB 0.512 38.984 38.460 0.020 0.000 1.167 532 Y HN 0.056 nan 8.280 nan 0.000 0.509 533 R N 5.015 125.606 120.500 0.152 0.000 2.445 533 R HA 0.181 4.520 4.340 -0.002 0.000 0.308 533 R C -0.267 175.978 176.300 -0.091 0.000 0.961 533 R CA -0.696 55.407 56.100 0.004 0.000 0.862 533 R CB 1.045 31.383 30.300 0.063 0.000 1.144 533 R HN 0.907 nan 8.270 nan 0.000 0.447 534 N N 0.672 119.291 118.700 -0.136 0.000 2.780 534 N HA -0.191 4.548 4.740 -0.002 0.000 0.248 534 N C -0.218 175.169 175.510 -0.204 0.000 1.102 534 N CA 0.780 53.752 53.050 -0.129 0.000 0.697 534 N CB -0.608 37.848 38.487 -0.051 0.000 1.028 534 N HN 0.598 nan 8.380 nan 0.000 0.554 535 K N 0.954 121.112 120.400 -0.402 0.000 2.489 535 K HA 0.071 4.390 4.320 -0.002 0.000 0.278 535 K C 0.302 176.798 176.600 -0.174 0.000 1.000 535 K CA 0.187 56.208 56.287 -0.442 0.000 1.012 535 K CB 0.325 32.431 32.500 -0.658 0.000 0.903 535 K HN 0.197 nan 8.250 nan 0.000 0.485 536 I N 5.036 125.557 120.570 -0.083 0.000 2.322 536 I HA 0.077 4.246 4.170 -0.002 0.000 0.292 536 I C 0.280 176.464 176.117 0.112 0.000 1.060 536 I CA 0.208 61.510 61.300 0.003 0.000 1.309 536 I CB 0.650 38.637 38.000 -0.023 0.000 1.415 536 I HN 0.643 nan 8.210 nan 0.000 0.492 537 E N 4.045 124.319 120.200 0.124 0.000 2.423 537 E HA 0.683 5.032 4.350 -0.002 0.000 0.269 537 E C -0.728 175.900 176.600 0.047 0.000 0.948 537 E CA -1.248 55.255 56.400 0.171 0.000 0.802 537 E CB 1.814 31.553 29.700 0.065 0.000 1.339 537 E HN 0.596 nan 8.360 nan 0.000 0.445 538 A N 0.648 123.373 122.820 -0.159 0.000 2.477 538 A HA 0.443 4.762 4.320 -0.002 0.000 0.246 538 A C 0.560 177.937 177.584 -0.346 0.000 1.078 538 A CA 0.444 52.146 52.037 -0.558 0.000 0.770 538 A CB -0.059 18.553 19.000 -0.646 0.000 1.011 538 A HN 0.572 nan 8.150 nan 0.000 0.494 539 G N -0.018 108.579 108.800 -0.339 0.000 2.559 539 G HA2 0.251 4.210 3.960 -0.002 0.000 0.235 539 G HA3 0.251 4.210 3.960 -0.002 0.000 0.235 539 G C 0.077 174.975 174.900 -0.003 0.000 1.266 539 G CA -0.112 44.849 45.100 -0.232 0.000 0.847 539 G HN 0.780 nan 8.290 nan 0.000 0.583 540 Y N 0.066 120.434 120.300 0.115 0.000 2.458 540 Y HA 0.323 4.872 4.550 -0.002 0.000 0.256 540 Y C 0.958 177.000 175.900 0.236 0.000 1.159 540 Y CA -0.438 57.740 58.100 0.130 0.000 1.261 540 Y CB 0.707 39.207 38.460 0.067 0.000 1.119 540 Y HN 0.427 nan 8.280 nan 0.000 0.524 541 V N -2.465 117.701 119.914 0.420 0.000 2.817 541 V HA 0.843 4.962 4.120 -0.002 0.000 0.303 541 V C -0.328 175.774 176.094 0.014 0.000 1.151 541 V CA -1.518 60.949 62.300 0.277 0.000 0.929 541 V CB 0.824 32.732 31.823 0.142 0.000 1.030 541 V HN 0.042 nan 8.190 nan 0.000 0.427 542 A N 3.222 125.829 122.820 -0.355 0.000 2.492 542 A HA 0.539 4.858 4.320 -0.002 0.000 0.236 542 A C 0.686 178.107 177.584 -0.272 0.000 1.078 542 A CA 0.619 52.238 52.037 -0.696 0.000 0.773 542 A CB 0.687 19.330 19.000 -0.594 0.000 1.023 542 A HN 1.842 nan 8.150 nan 0.000 0.504 543 V N 1.126 120.900 119.914 -0.232 0.000 3.176 543 V HA 0.518 4.637 4.120 -0.002 0.000 0.332 543 V C 0.784 176.829 176.094 -0.082 0.000 1.414 543 V CA 0.953 63.191 62.300 -0.105 0.000 1.133 543 V CB -0.936 30.849 31.823 -0.065 0.000 1.088 543 V HN 1.907 nan 8.190 nan 0.000 0.473 544 G N 0.975 109.712 108.800 -0.105 0.000 2.465 544 G HA2 0.023 3.982 3.960 -0.002 0.000 0.681 544 G HA3 0.023 3.982 3.960 -0.002 0.000 0.681 544 G C -0.603 174.264 174.900 -0.055 0.000 1.340 544 G CA -0.204 44.859 45.100 -0.062 0.000 0.884 544 G HN 0.396 nan 8.290 nan 0.000 0.650 545 Q N 0.448 120.234 119.800 -0.023 0.000 2.225 545 Q HA 0.652 4.991 4.340 -0.002 0.000 0.177 545 Q C 0.773 176.782 176.000 0.015 0.000 1.073 545 Q CA -0.048 55.762 55.803 0.011 0.000 1.134 545 Q CB 0.643 29.396 28.738 0.025 0.000 1.210 545 Q HN 0.803 nan 8.270 nan 0.000 0.599 546 N N -0.731 117.989 118.700 0.033 0.000 3.084 546 N HA 0.245 4.984 4.740 -0.002 0.000 0.336 546 N C -0.430 175.082 175.510 0.005 0.000 1.391 546 N CA -0.110 52.942 53.050 0.004 0.000 0.712 546 N CB -0.148 38.331 38.487 -0.014 0.000 1.248 546 N HN 0.652 nan 8.380 nan 0.000 0.545 547 A N -0.716 122.101 122.820 -0.006 0.000 2.503 547 A HA 0.485 4.804 4.320 -0.002 0.000 0.263 547 A C 0.126 177.717 177.584 0.011 0.000 1.360 547 A CA -0.228 51.808 52.037 -0.002 0.000 0.969 547 A CB -0.935 18.057 19.000 -0.013 0.000 1.000 547 A HN 0.367 nan 8.150 nan 0.000 0.530 548 V N -2.670 117.260 119.914 0.027 0.000 3.777 548 V HA 0.287 4.406 4.120 -0.002 0.000 0.285 548 V C 1.373 177.495 176.094 0.048 0.000 1.668 548 V CA 0.246 62.568 62.300 0.037 0.000 1.178 548 V CB -0.210 31.644 31.823 0.051 0.000 0.962 548 V HN 1.064 nan 8.190 nan 0.000 0.411 549 G N 1.255 110.084 108.800 0.048 0.000 2.176 549 G HA2 -0.242 3.718 3.960 -0.002 0.000 0.253 549 G HA3 -0.242 3.718 3.960 -0.002 0.000 0.253 549 G C 0.243 175.190 174.900 0.079 0.000 0.979 549 G CA 0.322 45.452 45.100 0.050 0.000 0.641 549 G HN 0.499 nan 8.290 nan 0.000 0.530 550 T N 2.553 117.177 114.554 0.116 0.000 2.779 550 T HA 0.411 4.760 4.350 -0.002 0.000 0.296 550 T C 0.113 174.933 174.700 0.199 0.000 0.938 550 T CA -0.128 62.092 62.100 0.198 0.000 1.119 550 T CB 1.168 70.233 68.868 0.328 0.000 0.891 550 T HN 0.277 nan 8.240 nan 0.000 0.526 551 D N 3.182 123.695 120.400 0.189 0.000 2.389 551 D HA 0.211 4.850 4.640 -0.002 0.000 0.247 551 D C 0.021 176.427 176.300 0.176 0.000 1.128 551 D CA 0.020 54.081 54.000 0.101 0.000 0.884 551 D CB 1.136 41.964 40.800 0.047 0.000 1.194 551 D HN 0.372 nan 8.370 nan 0.000 0.441 552 L N 2.172 123.389 121.223 -0.010 0.000 2.346 552 L HA 0.420 4.759 4.340 -0.002 0.000 0.276 552 L C -0.732 176.042 176.870 -0.159 0.000 1.006 552 L CA -0.913 53.969 54.840 0.071 0.000 0.817 552 L CB 0.845 42.929 42.059 0.042 0.000 1.272 552 L HN 0.293 nan 8.230 nan 0.000 0.421 553 Y N 0.354 120.681 120.300 0.044 0.000 2.630 553 Y HA 0.562 5.111 4.550 -0.002 0.000 0.337 553 Y C -0.166 175.640 175.900 -0.157 0.000 1.051 553 Y CA -0.858 57.211 58.100 -0.052 0.000 1.121 553 Y CB 1.778 40.199 38.460 -0.065 0.000 1.299 553 Y HN 0.468 nan 8.280 nan 0.000 0.498 554 Q N -0.299 119.501 119.800 0.000 0.000 2.416 554 Q HA 0.332 4.671 4.340 -0.002 0.000 0.279 554 Q C -1.608 174.282 176.000 -0.184 0.000 1.101 554 Q CA -1.010 54.751 55.803 -0.069 0.000 0.830 554 Q CB 2.205 30.954 28.738 0.019 0.000 1.402 554 Q HN 0.608 nan 8.270 nan 0.000 0.445 555 W N 1.144 122.396 121.300 -0.080 0.000 2.238 555 W HA 0.230 4.889 4.660 -0.002 0.000 0.321 555 W C 0.195 176.658 176.519 -0.094 0.000 1.293 555 W CA 0.719 58.002 57.345 -0.103 0.000 1.204 555 W CB 0.743 30.169 29.460 -0.057 0.000 1.167 555 W HN 0.427 nan 8.180 nan 0.000 0.553 556 D N 0.956 121.414 120.400 0.097 0.000 2.596 556 D HA 0.181 4.820 4.640 -0.002 0.000 0.262 556 D C -1.392 174.879 176.300 -0.049 0.000 1.210 556 D CA -0.841 53.158 54.000 -0.002 0.000 0.873 556 D CB 1.398 42.149 40.800 -0.082 0.000 1.408 556 D HN 0.306 nan 8.370 nan 0.000 0.441 557 N N 0.062 118.727 118.700 -0.058 0.000 2.444 557 N HA 0.325 5.064 4.740 -0.002 0.000 0.271 557 N C -0.483 174.967 175.510 -0.101 0.000 1.069 557 N CA -0.387 52.617 53.050 -0.075 0.000 0.965 557 N CB 1.694 40.151 38.487 -0.050 0.000 1.092 557 N HN 0.004 nan 8.380 nan 0.000 0.476 558 V N 4.966 124.809 119.914 -0.119 0.000 2.461 558 V HA 0.123 4.242 4.120 -0.002 0.000 0.275 558 V C -1.327 174.722 176.094 -0.074 0.000 1.047 558 V CA -1.279 60.971 62.300 -0.084 0.000 0.955 558 V CB 1.504 33.287 31.823 -0.067 0.000 0.988 558 V HN 0.658 nan 8.190 nan 0.000 0.471 559 P HA -0.083 nan 4.420 nan 0.000 0.214 559 P C -0.131 177.154 177.300 -0.025 0.000 1.163 559 P CA 1.405 64.495 63.100 -0.018 0.000 0.883 559 P CB 0.236 31.942 31.700 0.011 0.000 0.788 560 K N -1.179 119.214 120.400 -0.011 0.000 2.498 560 K HA 0.750 5.069 4.320 -0.002 0.000 0.254 560 K C -1.244 175.363 176.600 0.012 0.000 0.933 560 K CA -0.833 55.457 56.287 0.004 0.000 0.806 560 K CB 3.093 35.613 32.500 0.032 0.000 1.301 560 K HN -0.103 nan 8.250 nan 0.000 0.432 561 A N 1.450 124.294 122.820 0.040 0.000 2.587 561 A HA 0.816 5.135 4.320 -0.002 0.000 0.293 561 A C -1.450 176.220 177.584 0.143 0.000 1.087 561 A CA -0.697 51.394 52.037 0.089 0.000 0.692 561 A CB 1.699 20.757 19.000 0.097 0.000 1.291 561 A HN 0.315 nan 8.150 nan 0.000 0.407 562 V N 0.113 120.099 119.914 0.121 0.000 2.841 562 V HA 0.736 4.855 4.120 -0.002 0.000 0.310 562 V C -0.923 175.214 176.094 0.072 0.000 1.090 562 V CA -0.634 61.724 62.300 0.097 0.000 0.930 562 V CB 1.772 33.635 31.823 0.066 0.000 1.014 562 V HN 0.881 nan 8.190 nan 0.000 0.425 563 V N 2.963 122.909 119.914 0.053 0.000 2.686 563 V HA 0.687 4.807 4.120 -0.002 0.000 0.306 563 V C -0.807 175.277 176.094 -0.016 0.000 1.065 563 V CA -0.153 62.172 62.300 0.042 0.000 0.894 563 V CB 2.006 33.870 31.823 0.068 0.000 1.004 563 V HN 1.048 nan 8.190 nan 0.000 0.424 564 E N 3.101 123.219 120.200 -0.136 0.000 2.366 564 E HA 0.780 5.129 4.350 -0.002 0.000 0.278 564 E C -0.614 175.550 176.600 -0.727 0.000 0.923 564 E CA -0.131 55.997 56.400 -0.453 0.000 0.761 564 E CB 2.470 32.020 29.700 -0.250 0.000 1.231 564 E HN 0.945 nan 8.360 nan 0.000 0.443 565 G N 1.796 109.699 108.800 -1.495 0.000 2.489 565 G HA2 0.460 4.419 3.960 -0.002 0.000 0.305 565 G HA3 0.460 4.419 3.960 -0.002 0.000 0.305 565 G C -1.841 172.441 174.900 -1.031 0.000 1.311 565 G CA -0.777 43.614 45.100 -1.183 0.000 0.813 565 G HN 0.409 nan 8.290 nan 0.000 0.480 566 L N -0.064 120.989 121.223 -0.283 0.000 2.370 566 L HA 0.685 5.024 4.340 -0.002 0.000 0.266 566 L C -0.456 176.546 176.870 0.220 0.000 1.002 566 L CA -0.760 54.110 54.840 0.050 0.000 0.818 566 L CB 2.572 44.737 42.059 0.177 0.000 1.325 566 L HN 0.567 nan 8.230 nan 0.000 0.418 567 E N 0.327 120.666 120.200 0.233 0.000 2.288 567 E HA 0.717 5.066 4.350 -0.002 0.000 0.268 567 E C -0.769 175.900 176.600 0.115 0.000 0.885 567 E CA -0.680 55.828 56.400 0.181 0.000 0.767 567 E CB 2.803 32.603 29.700 0.167 0.000 1.220 567 E HN 0.731 nan 8.360 nan 0.000 0.427 568 G N 0.509 109.349 108.800 0.067 0.000 2.659 568 G HA2 0.574 4.533 3.960 -0.002 0.000 0.296 568 G HA3 0.574 4.533 3.960 -0.002 0.000 0.296 568 G C -1.146 173.754 174.900 -0.000 0.000 1.369 568 G CA -0.414 44.707 45.100 0.036 0.000 0.937 568 G HN 0.337 nan 8.290 nan 0.000 0.485 569 S N -0.624 115.072 115.700 -0.008 0.000 2.541 569 S HA 0.711 5.180 4.470 -0.002 0.000 0.280 569 S C -1.509 173.065 174.600 -0.042 0.000 1.112 569 S CA -0.520 57.657 58.200 -0.039 0.000 0.925 569 S CB 1.878 65.061 63.200 -0.029 0.000 1.067 569 S HN 0.872 nan 8.310 nan 0.000 0.479 570 L N 3.496 124.659 121.223 -0.100 0.000 2.596 570 L HA 0.579 4.918 4.340 -0.002 0.000 0.265 570 L C -1.976 174.788 176.870 -0.176 0.000 0.962 570 L CA -0.243 54.536 54.840 -0.102 0.000 0.891 570 L CB 1.375 43.343 42.059 -0.153 0.000 1.248 570 L HN 0.528 nan 8.230 nan 0.000 0.410 571 N N 4.128 122.782 118.700 -0.077 0.000 2.372 571 N HA 0.627 5.366 4.740 -0.002 0.000 0.285 571 N C -1.262 174.173 175.510 -0.126 0.000 1.008 571 N CA -0.367 52.611 53.050 -0.120 0.000 0.880 571 N CB 2.799 41.227 38.487 -0.099 0.000 1.239 571 N HN 0.286 nan 8.380 nan 0.000 0.484 572 V N 3.242 123.064 119.914 -0.153 0.000 2.350 572 V HA 0.369 4.488 4.120 -0.002 0.000 0.285 572 V C -2.239 173.614 176.094 -0.402 0.000 1.014 572 V CA -1.705 60.379 62.300 -0.361 0.000 0.831 572 V CB 1.726 33.605 31.823 0.093 0.000 1.000 572 V HN 0.458 nan 8.190 nan 0.000 0.433 573 P HA 0.163 nan 4.420 nan 0.000 0.268 573 P C 0.986 178.117 177.300 -0.282 0.000 1.485 573 P CA 0.180 63.031 63.100 -0.416 0.000 1.102 573 P CB 0.936 32.349 31.700 -0.479 0.000 1.501 574 V N 1.546 121.384 119.914 -0.128 0.000 2.407 574 V HA -0.133 3.986 4.120 -0.002 0.000 0.248 574 V C 1.215 177.288 176.094 -0.035 0.000 1.055 574 V CA 2.173 64.435 62.300 -0.063 0.000 1.049 574 V CB -0.186 31.605 31.823 -0.053 0.000 0.662 574 V HN 0.625 nan 8.190 nan 0.000 0.455 575 S N -2.254 113.430 115.700 -0.028 0.000 2.615 575 S HA 0.281 4.750 4.470 -0.002 0.000 0.269 575 S C 0.317 174.927 174.600 0.016 0.000 1.161 575 S CA -0.310 57.891 58.200 0.001 0.000 0.817 575 S CB 1.586 64.786 63.200 0.000 0.000 1.131 575 S HN 0.227 nan 8.310 nan 0.000 0.467 576 E N 0.255 120.475 120.200 0.033 0.000 2.463 576 E HA -0.021 4.329 4.350 -0.002 0.000 0.201 576 E C 0.469 177.103 176.600 0.057 0.000 1.045 576 E CA 1.233 57.656 56.400 0.038 0.000 0.872 576 E CB 0.073 29.799 29.700 0.044 0.000 0.797 576 E HN 0.608 nan 8.360 nan 0.000 0.538 577 T N -0.973 113.635 114.554 0.090 0.000 3.087 577 T HA 0.199 4.548 4.350 -0.002 0.000 0.283 577 T C -0.437 174.395 174.700 0.219 0.000 0.956 577 T CA -0.267 61.927 62.100 0.158 0.000 0.894 577 T CB 1.045 70.052 68.868 0.232 0.000 1.160 577 T HN -0.149 nan 8.240 nan 0.000 0.532 581 T N 2.876 117.353 114.554 -0.128 0.000 2.856 581 T HA 0.794 5.143 4.350 -0.002 0.000 0.283 581 T C -0.726 173.768 174.700 -0.344 0.000 1.008 581 T CA -0.715 61.242 62.100 -0.238 0.000 0.997 581 T CB 2.128 70.936 68.868 -0.100 0.000 0.992 581 T HN 0.383 nan 8.240 nan 0.000 0.454 582 N N 2.158 120.642 118.700 -0.360 0.000 2.329 582 N HA 0.502 5.241 4.740 -0.002 0.000 0.282 582 N C -1.637 173.766 175.510 -0.179 0.000 1.198 582 N CA -0.788 52.083 53.050 -0.298 0.000 0.790 582 N CB 2.653 40.864 38.487 -0.459 0.000 1.579 582 N HN 0.936 nan 8.380 nan 0.000 0.475 583 N N -0.278 118.350 118.700 -0.120 0.000 2.396 583 N HA 0.657 5.396 4.740 -0.002 0.000 0.275 583 N C -1.726 173.747 175.510 -0.062 0.000 1.218 583 N CA -0.748 52.253 53.050 -0.081 0.000 0.812 583 N CB 1.818 40.266 38.487 -0.065 0.000 1.592 583 N HN 0.443 nan 8.380 nan 0.000 0.480 584 I N -0.461 120.088 120.570 -0.035 0.000 2.865 584 I HA 0.746 4.915 4.170 -0.002 0.000 0.302 584 I C -1.311 174.834 176.117 0.045 0.000 1.140 584 I CA -0.155 61.136 61.300 -0.015 0.000 1.021 584 I CB 2.399 40.367 38.000 -0.052 0.000 1.233 584 I HN 0.755 nan 8.210 nan 0.000 0.427 585 T N 6.062 120.675 114.554 0.099 0.000 2.933 585 T HA 0.517 4.866 4.350 -0.002 0.000 0.305 585 T C -1.623 173.234 174.700 0.262 0.000 1.092 585 T CA -0.317 61.881 62.100 0.164 0.000 1.008 585 T CB 1.218 70.161 68.868 0.124 0.000 1.102 585 T HN 0.574 nan 8.240 nan 0.000 0.469 589 K N 0.123 120.427 120.400 -0.160 0.000 2.523 589 K HA 0.621 4.940 4.320 -0.002 0.000 0.257 589 K C -1.059 175.513 176.600 -0.045 0.000 0.932 589 K CA -0.207 56.033 56.287 -0.078 0.000 0.812 589 K CB 2.820 35.295 32.500 -0.043 0.000 1.326 589 K HN -0.103 nan 8.250 nan 0.000 0.433 590 S N 2.060 117.751 115.700 -0.015 0.000 2.737 590 S HA 0.326 4.795 4.470 -0.002 0.000 0.269 590 S C -1.872 172.747 174.600 0.031 0.000 1.150 590 S CA -0.492 57.715 58.200 0.012 0.000 1.077 590 S CB 0.563 63.765 63.200 0.004 0.000 1.075 590 S HN 0.625 nan 8.310 nan 0.000 0.476 591 E N 3.437 123.669 120.200 0.053 0.000 2.381 591 E HA 0.162 4.511 4.350 -0.002 0.000 0.286 591 E C -1.687 174.958 176.600 0.075 0.000 0.960 591 E CA -0.602 55.835 56.400 0.062 0.000 0.793 591 E CB 1.082 30.814 29.700 0.053 0.000 1.225 591 E HN 0.609 nan 8.360 nan 0.000 0.420 592 N N 4.253 122.998 118.700 0.074 0.000 2.401 592 N HA 0.062 4.801 4.740 -0.002 0.000 0.255 592 N C 0.300 175.843 175.510 0.056 0.000 1.110 592 N CA -0.035 53.057 53.050 0.070 0.000 0.949 592 N CB 0.967 39.502 38.487 0.081 0.000 1.110 592 N HN 0.414 nan 8.380 nan 0.000 0.490 593 K N 2.369 122.800 120.400 0.050 0.000 2.442 593 K HA -0.017 4.302 4.320 -0.002 0.000 0.198 593 K C 0.919 177.536 176.600 0.029 0.000 1.042 593 K CA 0.718 57.028 56.287 0.039 0.000 0.958 593 K CB 0.051 32.575 32.500 0.040 0.000 0.766 593 K HN 0.555 nan 8.250 nan 0.000 0.474 594 T N 0.203 114.784 114.554 0.045 0.000 2.976 594 T HA -0.053 4.296 4.350 -0.002 0.000 0.257 594 T C 1.807 176.477 174.700 -0.050 0.000 1.051 594 T CA 1.610 63.738 62.100 0.046 0.000 1.141 594 T CB 0.161 69.136 68.868 0.178 0.000 0.881 594 T HN 0.443 nan 8.240 nan 0.000 0.461 595 T N -1.633 112.879 114.554 -0.069 0.000 3.022 595 T HA 0.406 4.755 4.350 -0.002 0.000 0.250 595 T C 1.827 176.449 174.700 -0.131 0.000 1.060 595 T CA 0.819 62.807 62.100 -0.185 0.000 1.013 595 T CB 0.122 68.884 68.868 -0.177 0.000 0.982 595 T HN 0.422 nan 8.240 nan 0.000 0.508 596 G N 1.102 109.895 108.800 -0.013 0.000 2.168 596 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.263 596 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.263 596 G C -0.202 174.818 174.900 0.201 0.000 0.977 596 G CA 0.338 45.484 45.100 0.077 0.000 0.659 596 G HN 0.633 nan 8.290 nan 0.000 0.533 597 D N -0.153 120.349 120.400 0.170 0.000 2.332 597 D HA 0.485 5.124 4.640 -0.002 0.000 0.252 597 D C 1.011 177.360 176.300 0.081 0.000 1.050 597 D CA -0.780 53.317 54.000 0.162 0.000 0.970 597 D CB 0.598 41.495 40.800 0.161 0.000 1.141 597 D HN 0.077 nan 8.370 nan 0.000 0.485 598 R N 1.435 121.962 120.500 0.046 0.000 2.698 598 R HA 0.055 4.394 4.340 -0.002 0.000 0.266 598 R C 0.957 177.280 176.300 0.038 0.000 1.026 598 R CA 0.027 56.143 56.100 0.026 0.000 1.102 598 R CB 0.234 30.533 30.300 -0.001 0.000 0.978 598 R HN 0.487 nan 8.270 nan 0.000 0.436 599 L N 0.021 121.270 121.223 0.043 0.000 2.477 599 L HA 0.083 4.422 4.340 -0.002 0.000 0.220 599 L C 0.704 177.597 176.870 0.039 0.000 1.106 599 L CA 0.482 55.359 54.840 0.062 0.000 0.851 599 L CB 0.218 42.334 42.059 0.094 0.000 0.994 599 L HN 0.572 nan 8.230 nan 0.000 0.462 600 S N -0.648 115.059 115.700 0.011 0.000 2.558 600 S HA 0.413 4.882 4.470 -0.002 0.000 0.277 600 S C -1.399 173.185 174.600 -0.028 0.000 1.143 600 S CA -0.665 57.529 58.200 -0.011 0.000 0.865 600 S CB 1.263 64.451 63.200 -0.020 0.000 1.102 600 S HN -0.083 nan 8.310 nan 0.000 0.454 601 I N 5.855 126.401 120.570 -0.040 0.000 2.291 601 I HA 0.467 4.636 4.170 -0.002 0.000 0.290 601 I C 0.168 176.240 176.117 -0.075 0.000 1.050 601 I CA -0.318 60.953 61.300 -0.048 0.000 1.245 601 I CB -0.115 37.862 38.000 -0.038 0.000 1.405 601 I HN 0.642 nan 8.210 nan 0.000 0.478 602 I N 4.868 125.391 120.570 -0.077 0.000 3.074 602 I HA 0.678 4.848 4.170 -0.002 0.000 0.310 602 I C -2.894 173.162 176.117 -0.102 0.000 1.153 602 I CA -2.673 58.565 61.300 -0.104 0.000 0.993 602 I CB 2.207 40.154 38.000 -0.089 0.000 1.237 602 I HN 0.103 nan 8.210 nan 0.000 0.443 603 P HA 0.068 nan 4.420 nan 0.000 0.268 603 P C 0.314 177.543 177.300 -0.118 0.000 1.205 603 P CA 0.061 63.080 63.100 -0.136 0.000 0.771 603 P CB 0.667 32.292 31.700 -0.124 0.000 0.858 604 E N 2.728 122.850 120.200 -0.129 0.000 2.209 604 E HA -0.187 4.162 4.350 -0.002 0.000 0.196 604 E C -0.185 176.468 176.600 0.087 0.000 0.993 604 E CA 1.149 57.531 56.400 -0.030 0.000 0.819 604 E CB -0.038 29.690 29.700 0.048 0.000 0.745 604 E HN 0.556 nan 8.360 nan 0.000 0.477 605 Y N -3.009 117.357 120.300 0.110 0.000 2.609 605 Y HA 0.599 5.148 4.550 -0.001 0.000 0.336 605 Y C -1.137 174.782 175.900 0.032 0.000 1.129 605 Y CA -1.413 56.751 58.100 0.107 0.000 1.040 605 Y CB 1.214 39.739 38.460 0.108 0.000 1.310 605 Y HN -0.314 nan 8.280 nan 0.000 0.460 606 T N 3.647 118.322 114.554 0.202 0.000 2.886 606 T HA 0.595 4.944 4.350 -0.002 0.000 0.292 606 T C -1.832 172.895 174.700 0.044 0.000 1.012 606 T CA -0.464 61.692 62.100 0.093 0.000 0.982 606 T CB 1.675 70.596 68.868 0.087 0.000 1.018 606 T HN 0.821 nan 8.240 nan 0.000 0.451 607 L N 3.609 124.790 121.223 -0.069 0.000 2.381 607 L HA 0.659 4.998 4.340 -0.002 0.000 0.274 607 L C -1.204 175.567 176.870 -0.165 0.000 0.988 607 L CA -0.353 54.433 54.840 -0.090 0.000 0.824 607 L CB 1.390 43.402 42.059 -0.078 0.000 1.263 607 L HN 0.507 nan 8.230 nan 0.000 0.410 608 N N 3.069 121.702 118.700 -0.111 0.000 2.269 608 N HA 0.580 5.319 4.740 -0.002 0.000 0.304 608 N C -1.522 173.974 175.510 -0.025 0.000 1.072 608 N CA -0.538 52.444 53.050 -0.114 0.000 0.802 608 N CB 2.185 40.611 38.487 -0.102 0.000 1.348 608 N HN 0.554 nan 8.380 nan 0.000 0.484 609 S N 0.233 115.970 115.700 0.062 0.000 2.566 609 S HA 0.570 5.039 4.470 -0.002 0.000 0.273 609 S C -1.392 173.323 174.600 0.193 0.000 1.157 609 S CA -0.425 57.859 58.200 0.140 0.000 0.938 609 S CB 1.084 64.503 63.200 0.365 0.000 1.087 609 S HN 0.415 nan 8.310 nan 0.000 0.474 610 T N 4.855 119.498 114.554 0.149 0.000 2.876 610 T HA 0.553 4.902 4.350 -0.002 0.000 0.289 610 T C -1.489 173.391 174.700 0.299 0.000 1.014 610 T CA -0.598 61.613 62.100 0.184 0.000 0.986 610 T CB 1.414 70.341 68.868 0.100 0.000 1.021 610 T HN 0.548 nan 8.240 nan 0.000 0.458 611 L N 4.141 125.530 121.223 0.277 0.000 2.372 611 L HA 0.657 4.996 4.340 -0.002 0.000 0.273 611 L C -0.511 176.467 176.870 0.180 0.000 0.989 611 L CA -0.425 54.577 54.840 0.269 0.000 0.841 611 L CB 0.947 43.111 42.059 0.176 0.000 1.225 611 L HN 0.858 nan 8.230 nan 0.000 0.414 612 S N 3.804 119.608 115.700 0.174 0.000 2.532 612 S HA 0.660 5.129 4.470 -0.002 0.000 0.301 612 S C -1.398 173.347 174.600 0.241 0.000 1.083 612 S CA -0.676 57.628 58.200 0.172 0.000 1.025 612 S CB 2.109 65.380 63.200 0.118 0.000 1.056 612 S HN 0.608 nan 8.310 nan 0.000 0.494 613 W N 2.808 124.117 121.300 0.015 0.000 2.475 613 W HA 0.497 5.156 4.660 -0.002 0.000 0.320 613 W C -0.712 175.812 176.519 0.008 0.000 1.022 613 W CA -1.070 56.277 57.345 0.004 0.000 1.240 613 W CB 1.638 31.095 29.460 -0.006 0.000 1.328 613 W HN 0.781 nan 8.180 nan 0.000 0.439 614 Q N 5.006 124.780 119.800 -0.044 0.000 2.678 614 Q HA 0.424 4.763 4.340 -0.002 0.000 0.222 614 Q C 0.976 176.671 176.000 -0.509 0.000 1.281 614 Q CA 0.564 56.228 55.803 -0.231 0.000 0.994 614 Q CB 0.679 29.389 28.738 -0.047 0.000 1.452 614 Q HN 0.544 nan 8.270 nan 0.000 0.570 615 A N 3.959 126.062 122.820 -1.194 0.000 1.865 615 A HA -0.069 4.250 4.320 -0.002 0.000 0.217 615 A C 0.739 178.068 177.584 -0.426 0.000 1.191 615 A CA 1.229 52.508 52.037 -1.263 0.000 0.623 615 A CB 0.114 17.991 19.000 -1.871 0.000 0.826 615 A HN 0.579 nan 8.150 nan 0.000 0.444 616 R N -1.755 118.548 120.500 -0.329 0.000 2.919 616 R HA 0.288 4.627 4.340 -0.002 0.000 0.260 616 R C 0.914 177.156 176.300 -0.097 0.000 1.067 616 R CA -0.208 55.801 56.100 -0.151 0.000 1.003 616 R CB 0.579 30.802 30.300 -0.130 0.000 1.192 616 R HN 0.378 nan 8.270 nan 0.000 0.488 617 E N 1.205 121.384 120.200 -0.036 0.000 2.338 617 E HA -0.166 4.183 4.350 -0.002 0.000 0.197 617 E C 0.014 176.620 176.600 0.009 0.000 1.007 617 E CA 1.501 57.894 56.400 -0.012 0.000 0.849 617 E CB 0.122 29.826 29.700 0.007 0.000 0.774 617 E HN 0.651 nan 8.360 nan 0.000 0.506 618 D N 0.316 120.739 120.400 0.038 0.000 2.462 618 D HA 0.165 4.804 4.640 -0.002 0.000 0.221 618 D C 0.028 176.426 176.300 0.164 0.000 1.173 618 D CA -0.503 53.568 54.000 0.118 0.000 0.831 618 D CB -0.154 40.767 40.800 0.201 0.000 1.001 618 D HN 0.133 nan 8.370 nan 0.000 0.499 619 L N 0.956 122.187 121.223 0.013 0.000 2.505 619 L HA 0.543 4.882 4.340 -0.002 0.000 0.266 619 L C -1.037 175.725 176.870 -0.179 0.000 0.954 619 L CA -0.125 54.685 54.840 -0.050 0.000 0.852 619 L CB 2.005 43.964 42.059 -0.167 0.000 1.282 619 L HN 0.084 nan 8.230 nan 0.000 0.403 623 T N 0.116 114.739 114.554 0.114 0.000 2.893 623 T HA 0.713 5.062 4.350 -0.002 0.000 0.291 623 T C -1.327 173.459 174.700 0.144 0.000 1.028 623 T CA -0.159 62.006 62.100 0.109 0.000 0.995 623 T CB 2.198 71.125 68.868 0.097 0.000 1.051 623 T HN 0.556 nan 8.240 nan 0.000 0.470 624 T N 3.592 118.237 114.554 0.152 0.000 2.886 624 T HA 0.681 5.030 4.350 -0.002 0.000 0.292 624 T C -1.936 172.917 174.700 0.254 0.000 1.012 624 T CA -0.414 61.787 62.100 0.168 0.000 0.982 624 T CB 0.790 69.716 68.868 0.097 0.000 1.018 624 T HN 0.487 nan 8.240 nan 0.000 0.451 625 F N 2.410 122.400 119.950 0.066 0.000 2.561 625 F HA 0.693 5.219 4.527 -0.002 0.000 0.313 625 F C -0.796 175.015 175.800 0.017 0.000 1.126 625 F CA -0.333 57.705 58.000 0.064 0.000 0.918 625 F CB 1.995 41.065 39.000 0.116 0.000 1.199 625 F HN 0.438 nan 8.300 nan 0.000 0.444 626 T N 5.453 119.507 114.554 -0.833 0.000 2.893 626 T HA 0.329 4.678 4.350 -0.002 0.000 0.293 626 T C -2.230 171.802 174.700 -1.113 0.000 1.027 626 T CA -0.429 61.145 62.100 -0.876 0.000 0.988 626 T CB 1.517 69.997 68.868 -0.646 0.000 1.043 626 T HN 0.577 nan 8.240 nan 0.000 0.461 627 W N 4.144 124.769 121.300 -1.124 0.000 2.781 627 W HA 0.590 5.249 4.660 -0.002 0.000 0.333 627 W C -2.278 173.870 176.519 -0.618 0.000 1.047 627 W CA -2.054 54.846 57.345 -0.741 0.000 1.236 627 W CB 0.760 30.023 29.460 -0.328 0.000 1.394 627 W HN 0.670 nan 8.180 nan 0.000 0.466 628 Y N 4.009 124.400 120.300 0.150 0.000 2.377 628 Y HA 0.575 5.124 4.550 -0.001 0.000 0.339 628 Y C 1.175 176.917 175.900 -0.264 0.000 1.011 628 Y CA -0.661 57.331 58.100 -0.180 0.000 1.093 628 Y CB 1.471 39.690 38.460 -0.401 0.000 1.201 628 Y HN 0.519 nan 8.280 nan 0.000 0.455 629 G N 1.988 110.299 108.800 -0.814 0.000 2.583 629 G HA2 0.205 4.164 3.960 -0.002 0.000 0.275 629 G HA3 0.205 4.164 3.960 -0.002 0.000 0.275 629 G C -0.641 174.088 174.900 -0.285 0.000 1.342 629 G CA -0.889 43.496 45.100 -1.191 0.000 1.030 629 G HN 0.697 nan 8.290 nan 0.000 0.520 630 K N -0.979 119.341 120.400 -0.133 0.000 2.168 630 K HA 0.311 4.630 4.320 -0.002 0.000 0.258 630 K C -0.585 175.991 176.600 -0.041 0.000 1.010 630 K CA -0.216 56.065 56.287 -0.009 0.000 0.929 630 K CB 0.920 33.447 32.500 0.045 0.000 0.998 630 K HN 0.399 nan 8.250 nan 0.000 0.479 631 Q N 1.805 121.585 119.800 -0.032 0.000 2.381 631 Q HA 0.146 4.485 4.340 -0.002 0.000 0.263 631 Q C -1.200 174.767 176.000 -0.056 0.000 1.030 631 Q CA -0.448 55.321 55.803 -0.056 0.000 0.772 631 Q CB 2.160 30.859 28.738 -0.064 0.000 1.232 631 Q HN 0.496 nan 8.270 nan 0.000 0.476 632 Q N 3.871 123.645 119.800 -0.042 0.000 2.257 632 Q HA 0.404 4.743 4.340 -0.002 0.000 0.255 632 Q C -2.123 173.851 176.000 -0.042 0.000 0.920 632 Q CA -1.766 54.016 55.803 -0.036 0.000 0.927 632 Q CB 1.540 30.262 28.738 -0.028 0.000 1.229 632 Q HN 0.380 nan 8.270 nan 0.000 0.433 633 P HA 0.128 nan 4.420 nan 0.000 0.302 633 P C -0.870 176.393 177.300 -0.062 0.000 1.307 633 P CA -0.556 62.518 63.100 -0.044 0.000 0.754 633 P CB 1.015 32.697 31.700 -0.030 0.000 1.298 634 K N -0.018 120.341 120.400 -0.068 0.000 2.469 634 K HA -0.004 4.315 4.320 -0.002 0.000 0.274 634 K C 1.373 177.880 176.600 -0.155 0.000 0.983 634 K CA 0.292 56.525 56.287 -0.090 0.000 0.974 634 K CB 0.356 32.802 32.500 -0.090 0.000 0.913 634 K HN 0.304 nan 8.250 nan 0.000 0.493 635 K N 1.011 121.260 120.400 -0.252 0.000 2.211 635 K HA 0.003 4.322 4.320 -0.002 0.000 0.201 635 K C -0.053 176.085 176.600 -0.770 0.000 1.052 635 K CA 0.939 56.892 56.287 -0.557 0.000 0.973 635 K CB 0.202 32.207 32.500 -0.826 0.000 0.766 635 K HN 0.405 nan 8.250 nan 0.000 0.466 636 Y N 0.921 121.186 120.300 -0.058 0.000 2.524 636 Y HA 0.166 4.715 4.550 -0.002 0.000 0.344 636 Y C 0.202 176.051 175.900 -0.085 0.000 1.012 636 Y CA -1.840 56.223 58.100 -0.062 0.000 1.068 636 Y CB 0.977 39.393 38.460 -0.073 0.000 1.249 636 Y HN 0.028 nan 8.280 nan 0.000 0.468 637 N N -0.712 118.045 118.700 0.095 0.000 2.431 637 N HA 0.075 4.814 4.740 -0.002 0.000 0.289 637 N C 0.224 175.762 175.510 0.046 0.000 1.277 637 N CA -0.371 52.709 53.050 0.050 0.000 0.972 637 N CB 0.149 38.714 38.487 0.130 0.000 1.143 637 N HN 0.563 nan 8.380 nan 0.000 0.578 638 Y N -1.703 118.585 120.300 -0.020 0.000 2.256 638 Y HA -0.016 4.533 4.550 -0.001 0.000 0.288 638 Y C 0.817 176.686 175.900 -0.052 0.000 1.155 638 Y CA 1.215 59.286 58.100 -0.048 0.000 1.203 638 Y CB -0.137 38.268 38.460 -0.092 0.000 0.980 638 Y HN 0.366 nan 8.280 nan 0.000 0.530 639 K N -0.066 120.410 120.400 0.128 0.000 2.811 639 K HA 0.321 4.640 4.320 -0.002 0.000 0.217 639 K C 1.005 177.619 176.600 0.023 0.000 1.115 639 K CA 0.296 56.615 56.287 0.054 0.000 1.179 639 K CB -0.026 32.499 32.500 0.042 0.000 0.994 639 K HN 0.249 nan 8.250 nan 0.000 0.464 640 G N 0.809 109.612 108.800 0.005 0.000 2.212 640 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.267 640 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.267 640 G C -0.192 174.745 174.900 0.061 0.000 1.002 640 G CA 0.523 45.600 45.100 -0.038 0.000 0.729 640 G HN 0.473 nan 8.290 nan 0.000 0.517 641 Q N 0.012 119.886 119.800 0.122 0.000 2.214 641 Q HA 0.503 4.842 4.340 -0.002 0.000 0.251 641 Q C -2.492 173.637 176.000 0.213 0.000 0.936 641 Q CA -2.287 53.605 55.803 0.148 0.000 0.894 641 Q CB 1.100 29.886 28.738 0.080 0.000 1.252 641 Q HN 0.131 nan 8.270 nan 0.000 0.448 642 P HA -0.091 nan 4.420 nan 0.000 0.266 642 P C -1.080 176.206 177.300 -0.022 0.000 1.193 642 P CA 0.286 63.407 63.100 0.034 0.000 0.770 642 P CB 0.410 32.124 31.700 0.023 0.000 0.836 643 A N 2.956 125.713 122.820 -0.106 0.000 2.462 643 A HA 0.368 4.687 4.320 -0.002 0.000 0.243 643 A C -0.196 177.362 177.584 -0.043 0.000 1.076 643 A CA 0.077 52.075 52.037 -0.065 0.000 0.773 643 A CB -0.183 18.759 19.000 -0.096 0.000 1.010 643 A HN 0.374 nan 8.150 nan 0.000 0.493 644 V N 2.502 122.404 119.914 -0.021 0.000 2.604 644 V HA 0.675 4.794 4.120 -0.002 0.000 0.305 644 V C 1.256 177.339 176.094 -0.018 0.000 1.043 644 V CA 0.163 62.451 62.300 -0.019 0.000 0.888 644 V CB 0.376 32.190 31.823 -0.015 0.000 0.995 644 V HN 2.008 nan 8.190 nan 0.000 0.429 645 G N 6.225 115.015 108.800 -0.017 0.000 2.686 645 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.329 645 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.329 645 G C -1.027 173.870 174.900 -0.005 0.000 1.187 645 G CA 0.935 46.027 45.100 -0.014 0.000 0.965 645 G HN 0.648 nan 8.290 nan 0.000 0.549 646 P HA 0.077 nan 4.420 nan 0.000 0.216 646 P C 1.552 178.866 177.300 0.022 0.000 1.150 646 P CA 1.788 64.893 63.100 0.008 0.000 0.837 646 P CB -0.220 31.483 31.700 0.005 0.000 0.786 647 E N -0.888 119.320 120.200 0.013 0.000 2.333 647 E HA -0.158 4.192 4.350 -0.002 0.000 0.200 647 E C 1.419 178.022 176.600 0.005 0.000 1.010 647 E CA 1.652 58.060 56.400 0.014 0.000 0.841 647 E CB -0.678 29.025 29.700 0.005 0.000 0.757 647 E HN 0.421 nan 8.360 nan 0.000 0.508 648 T N -1.591 112.965 114.554 0.003 0.000 3.086 648 T HA 0.107 4.457 4.350 -0.002 0.000 0.250 648 T C 0.481 175.199 174.700 0.029 0.000 1.074 648 T CA -0.417 61.681 62.100 -0.003 0.000 0.988 648 T CB 0.074 68.931 68.868 -0.018 0.000 0.988 648 T HN -0.130 nan 8.240 nan 0.000 0.530 649 K N 2.156 122.597 120.400 0.069 0.000 2.451 649 K HA 0.192 4.511 4.320 -0.002 0.000 0.280 649 K C 0.025 176.710 176.600 0.143 0.000 1.020 649 K CA 0.377 56.745 56.287 0.136 0.000 1.008 649 K CB 0.528 33.149 32.500 0.202 0.000 0.917 649 K HN 0.563 nan 8.250 nan 0.000 0.478 650 E N 2.507 122.785 120.200 0.130 0.000 2.221 650 E HA 0.341 4.690 4.350 -0.002 0.000 0.268 650 E C -0.345 176.248 176.600 -0.011 0.000 0.933 650 E CA -0.794 55.624 56.400 0.029 0.000 0.809 650 E CB 1.659 31.378 29.700 0.031 0.000 1.190 650 E HN 0.366 nan 8.360 nan 0.000 0.406 651 I N 1.778 122.223 120.570 -0.209 0.000 2.342 651 I HA 0.140 4.309 4.170 -0.002 0.000 0.291 651 I C 0.217 176.346 176.117 0.019 0.000 1.010 651 I CA -0.390 60.758 61.300 -0.254 0.000 1.308 651 I CB 1.288 39.042 38.000 -0.409 0.000 1.400 651 I HN 0.374 nan 8.210 nan 0.000 0.488 652 S N 6.678 122.445 115.700 0.111 0.000 2.600 652 S HA 0.240 4.710 4.470 -0.002 0.000 0.265 652 S C -2.183 172.568 174.600 0.251 0.000 1.325 652 S CA -0.854 57.444 58.200 0.163 0.000 1.002 652 S CB 0.325 63.624 63.200 0.165 0.000 0.921 652 S HN 0.415 nan 8.310 nan 0.000 0.554 653 P HA 0.152 nan 4.420 nan 0.000 0.266 653 P C -1.021 176.534 177.300 0.425 0.000 1.193 653 P CA 0.349 63.675 63.100 0.377 0.000 0.770 653 P CB 0.127 32.146 31.700 0.532 0.000 0.836 654 Y N -1.035 119.409 120.300 0.241 0.000 2.670 654 Y HA 0.772 5.322 4.550 -0.001 0.000 0.334 654 Y C -1.047 174.901 175.900 0.080 0.000 1.185 654 Y CA -1.313 56.857 58.100 0.115 0.000 1.053 654 Y CB 0.751 39.287 38.460 0.128 0.000 1.298 654 Y HN 0.409 nan 8.280 nan 0.000 0.459 655 S N 1.590 117.318 115.700 0.047 0.000 2.588 655 S HA 0.862 5.331 4.470 -0.002 0.000 0.275 655 S C -1.899 172.750 174.600 0.081 0.000 1.130 655 S CA -0.675 57.445 58.200 -0.133 0.000 0.855 655 S CB 2.185 65.286 63.200 -0.164 0.000 1.116 655 S HN 0.706 nan 8.310 nan 0.000 0.472 656 I N 1.681 122.252 120.570 0.001 0.000 2.619 656 I HA 0.594 4.763 4.170 -0.002 0.000 0.292 656 I C -0.779 175.430 176.117 0.152 0.000 1.100 656 I CA -0.899 60.478 61.300 0.128 0.000 1.043 656 I CB 1.743 39.810 38.000 0.112 0.000 1.239 656 I HN 0.658 nan 8.210 nan 0.000 0.420 657 V N 3.734 123.788 119.914 0.233 0.000 2.864 657 V HA 0.967 5.086 4.120 -0.002 0.000 0.314 657 V C 0.284 176.421 176.094 0.072 0.000 1.073 657 V CA -0.520 61.920 62.300 0.232 0.000 0.956 657 V CB 2.201 34.234 31.823 0.351 0.000 1.023 657 V HN 0.945 nan 8.190 nan 0.000 0.435 658 G N 2.073 110.912 108.800 0.063 0.000 2.642 658 G HA2 0.806 4.765 3.960 -0.002 0.000 0.293 658 G HA3 0.806 4.765 3.960 -0.002 0.000 0.293 658 G C -1.850 173.055 174.900 0.007 0.000 1.341 658 G CA -0.644 44.456 45.100 -0.001 0.000 0.916 658 G HN 0.577 nan 8.290 nan 0.000 0.474 659 L N 0.717 121.917 121.223 -0.038 0.000 2.422 659 L HA 0.790 5.129 4.340 -0.002 0.000 0.264 659 L C -0.097 176.759 176.870 -0.022 0.000 0.984 659 L CA -0.888 53.942 54.840 -0.018 0.000 0.819 659 L CB 2.554 44.581 42.059 -0.054 0.000 1.330 659 L HN 0.836 nan 8.230 nan 0.000 0.410 660 S N 1.437 117.152 115.700 0.024 0.000 2.565 660 S HA 0.939 5.408 4.470 -0.002 0.000 0.269 660 S C -1.409 173.216 174.600 0.041 0.000 1.153 660 S CA -0.474 57.741 58.200 0.025 0.000 0.835 660 S CB 2.318 65.605 63.200 0.145 0.000 1.122 660 S HN 0.897 nan 8.310 nan 0.000 0.462 661 A N 1.010 123.852 122.820 0.036 0.000 2.475 661 A HA 0.871 5.190 4.320 -0.002 0.000 0.301 661 A C -0.607 177.022 177.584 0.076 0.000 1.059 661 A CA -0.769 51.294 52.037 0.043 0.000 0.710 661 A CB 1.842 20.855 19.000 0.023 0.000 1.288 661 A HN 0.898 nan 8.150 nan 0.000 0.408 662 T N 1.742 116.344 114.554 0.080 0.000 2.841 662 T HA 0.494 4.843 4.350 -0.002 0.000 0.285 662 T C -1.587 173.222 174.700 0.182 0.000 0.991 662 T CA 0.045 62.212 62.100 0.113 0.000 0.966 662 T CB 0.781 69.695 68.868 0.076 0.000 0.962 662 T HN 0.677 nan 8.240 nan 0.000 0.438 663 W N 4.319 125.608 121.300 -0.018 0.000 2.424 663 W HA 0.456 5.115 4.660 -0.002 0.000 0.318 663 W C -1.376 175.142 176.519 -0.003 0.000 1.016 663 W CA -1.499 55.831 57.345 -0.025 0.000 1.268 663 W CB 0.736 30.177 29.460 -0.032 0.000 1.297 663 W HN 0.442 nan 8.180 nan 0.000 0.428 664 D N 5.552 125.950 120.400 -0.004 0.000 2.435 664 D HA 0.039 4.678 4.640 -0.002 0.000 0.230 664 D C 1.418 177.479 176.300 -0.397 0.000 1.215 664 D CA 0.169 54.075 54.000 -0.156 0.000 0.947 664 D CB 1.236 42.040 40.800 0.006 0.000 1.048 664 D HN 0.242 nan 8.370 nan 0.000 0.512 665 V N 1.889 121.291 119.914 -0.854 0.000 2.343 665 V HA -0.147 3.972 4.120 -0.002 0.000 0.247 665 V C 1.499 177.426 176.094 -0.277 0.000 1.051 665 V CA 1.902 63.680 62.300 -0.871 0.000 1.036 665 V CB -0.542 30.624 31.823 -1.096 0.000 0.654 665 V HN 0.634 nan 8.190 nan 0.000 0.451 666 T N -2.287 112.148 114.554 -0.198 0.000 2.716 666 T HA 0.366 4.715 4.350 -0.002 0.000 0.286 666 T C 0.367 175.064 174.700 -0.004 0.000 1.052 666 T CA -0.407 61.653 62.100 -0.067 0.000 1.024 666 T CB 1.853 70.686 68.868 -0.059 0.000 1.349 666 T HN 0.306 nan 8.240 nan 0.000 0.525 667 K N -0.093 120.336 120.400 0.049 0.000 2.522 667 K HA 0.226 4.545 4.320 -0.002 0.000 0.194 667 K C 0.597 177.326 176.600 0.214 0.000 1.026 667 K CA 0.441 56.797 56.287 0.115 0.000 1.119 667 K CB -0.566 31.994 32.500 0.100 0.000 0.856 667 K HN 0.575 nan 8.250 nan 0.000 0.513 668 N N -0.087 118.664 118.700 0.086 0.000 2.211 668 N HA 0.073 4.812 4.740 -0.002 0.000 0.216 668 N C -1.188 174.040 175.510 -0.469 0.000 1.240 668 N CA -0.293 52.728 53.050 -0.047 0.000 0.895 668 N CB 1.455 39.947 38.487 0.009 0.000 1.102 668 N HN -0.104 nan 8.380 nan 0.000 0.498 669 V N 1.020 120.767 119.914 -0.279 0.000 2.531 669 V HA 0.453 4.572 4.120 -0.002 0.000 0.301 669 V C -0.652 175.297 176.094 -0.242 0.000 1.034 669 V CA -0.616 61.489 62.300 -0.324 0.000 0.865 669 V CB 1.720 33.382 31.823 -0.270 0.000 0.995 669 V HN -0.073 nan 8.190 nan 0.000 0.424 670 S N 5.286 120.889 115.700 -0.163 0.000 2.500 670 S HA 0.804 5.273 4.470 -0.002 0.000 0.301 670 S C -0.735 173.808 174.600 -0.096 0.000 1.092 670 S CA -0.548 57.600 58.200 -0.087 0.000 1.030 670 S CB 1.410 64.656 63.200 0.077 0.000 1.031 670 S HN 0.535 nan 8.310 nan 0.000 0.483 671 L N 2.334 123.497 121.223 -0.099 0.000 2.365 671 L HA 0.663 5.002 4.340 -0.002 0.000 0.273 671 L C -0.427 176.478 176.870 0.059 0.000 1.000 671 L CA -0.530 54.295 54.840 -0.025 0.000 0.819 671 L CB 2.308 44.351 42.059 -0.027 0.000 1.284 671 L HN 0.512 nan 8.230 nan 0.000 0.418 672 T N 1.182 115.779 114.554 0.072 0.000 2.881 672 T HA 0.698 5.047 4.350 -0.002 0.000 0.290 672 T C -0.207 174.545 174.700 0.087 0.000 1.000 672 T CA -0.645 61.520 62.100 0.107 0.000 0.978 672 T CB 2.033 70.987 68.868 0.143 0.000 0.997 672 T HN 0.785 nan 8.240 nan 0.000 0.443 673 G N 0.435 109.253 108.800 0.029 0.000 2.612 673 G HA2 0.834 4.793 3.960 -0.002 0.000 0.298 673 G HA3 0.834 4.793 3.960 -0.002 0.000 0.298 673 G C -0.667 174.032 174.900 -0.335 0.000 1.336 673 G CA -0.542 44.473 45.100 -0.142 0.000 0.953 673 G HN 0.995 nan 8.290 nan 0.000 0.482 674 G N -2.030 106.224 108.800 -0.910 0.000 2.488 674 G HA2 0.686 4.645 3.960 -0.002 0.000 0.301 674 G HA3 0.686 4.645 3.960 -0.002 0.000 0.301 674 G C -1.933 172.314 174.900 -1.088 0.000 1.339 674 G CA 0.066 44.614 45.100 -0.920 0.000 0.803 674 G HN 1.699 nan 8.290 nan 0.000 0.482 675 V N 0.210 119.734 119.914 -0.651 0.000 2.777 675 V HA 0.616 4.735 4.120 -0.002 0.000 0.306 675 V C -1.748 174.184 176.094 -0.271 0.000 1.112 675 V CA -0.812 61.065 62.300 -0.705 0.000 0.917 675 V CB 2.004 33.075 31.823 -1.253 0.000 1.018 675 V HN 0.746 nan 8.190 nan 0.000 0.426 676 D N 4.237 124.561 120.400 -0.126 0.000 2.181 676 D HA 0.392 5.031 4.640 -0.002 0.000 0.248 676 D C 0.270 176.500 176.300 -0.118 0.000 1.020 676 D CA 0.146 54.122 54.000 -0.039 0.000 0.891 676 D CB 1.418 42.235 40.800 0.028 0.000 1.187 676 D HN 0.751 nan 8.370 nan 0.000 0.443 677 N N 1.359 120.025 118.700 -0.058 0.000 2.708 677 N HA -0.200 4.539 4.740 -0.002 0.000 0.255 677 N C 0.811 176.252 175.510 -0.116 0.000 1.046 677 N CA -0.014 53.019 53.050 -0.028 0.000 0.715 677 N CB -0.966 37.528 38.487 0.012 0.000 0.895 677 N HN 0.430 nan 8.380 nan 0.000 0.545 678 L N 0.129 121.216 121.223 -0.226 0.000 2.034 678 L HA -0.126 4.213 4.340 -0.002 0.000 0.217 678 L C 1.532 178.101 176.870 -0.502 0.000 1.077 678 L CA 2.192 56.759 54.840 -0.455 0.000 0.769 678 L CB -0.513 41.147 42.059 -0.665 0.000 0.890 678 L HN 0.421 nan 8.230 nan 0.000 0.435 679 F N -0.414 119.550 119.950 0.024 0.000 2.692 679 F HA 0.152 4.678 4.527 -0.002 0.000 0.303 679 F C 0.978 176.813 175.800 0.059 0.000 1.114 679 F CA 0.264 58.291 58.000 0.044 0.000 1.361 679 F CB -0.624 38.404 39.000 0.047 0.000 1.063 679 F HN 0.148 nan 8.300 nan 0.000 0.550 680 D N 1.528 122.015 120.400 0.145 0.000 2.701 680 D HA -0.268 4.371 4.640 -0.002 0.000 0.235 680 D C 0.161 176.538 176.300 0.128 0.000 1.155 680 D CA 0.456 54.543 54.000 0.145 0.000 0.649 680 D CB -0.687 40.233 40.800 0.199 0.000 1.050 680 D HN 0.092 nan 8.370 nan 0.000 0.425 681 K N 1.237 121.713 120.400 0.127 0.000 2.339 681 K HA 0.317 4.636 4.320 -0.002 0.000 0.286 681 K C -0.109 176.452 176.600 -0.067 0.000 1.050 681 K CA 0.022 56.354 56.287 0.076 0.000 0.956 681 K CB 0.520 33.113 32.500 0.155 0.000 0.990 681 K HN 0.239 nan 8.250 nan 0.000 0.475 682 R N 3.508 123.880 120.500 -0.212 0.000 2.854 682 R HA 0.598 4.937 4.340 -0.002 0.000 0.271 682 R C -0.924 174.938 176.300 -0.730 0.000 0.996 682 R CA -1.249 54.519 56.100 -0.553 0.000 0.961 682 R CB 1.137 30.890 30.300 -0.910 0.000 1.182 682 R HN 0.349 nan 8.270 nan 0.000 0.479 683 L N 0.543 121.243 121.223 -0.872 0.000 2.371 683 L HA 0.537 4.876 4.340 -0.002 0.000 0.262 683 L C -1.097 175.281 176.870 -0.821 0.000 1.006 683 L CA -0.401 54.038 54.840 -0.669 0.000 0.818 683 L CB 1.848 43.569 42.059 -0.564 0.000 1.354 683 L HN 0.435 nan 8.230 nan 0.000 0.415 684 W N 1.830 122.942 121.300 -0.313 0.000 2.785 684 W HA 0.520 5.179 4.660 -0.001 0.000 0.333 684 W C -0.028 176.375 176.519 -0.193 0.000 1.062 684 W CA -0.781 56.374 57.345 -0.317 0.000 1.233 684 W CB 2.119 31.234 29.460 -0.575 0.000 1.413 684 W HN 0.446 nan 8.180 nan 0.000 0.489 685 R N 1.550 122.085 120.500 0.059 0.000 2.491 685 R HA 0.370 4.709 4.340 -0.002 0.000 0.283 685 R C 0.529 176.887 176.300 0.096 0.000 1.072 685 R CA 0.560 56.692 56.100 0.053 0.000 1.048 685 R CB 1.070 31.398 30.300 0.048 0.000 0.983 685 R HN 0.619 nan 8.270 nan 0.000 0.450 686 A N 3.030 125.903 122.820 0.088 0.000 2.382 686 A HA 0.387 4.706 4.320 -0.002 0.000 0.228 686 A C 0.594 178.208 177.584 0.049 0.000 1.217 686 A CA 0.531 52.606 52.037 0.063 0.000 0.923 686 A CB 0.455 19.473 19.000 0.030 0.000 0.979 686 A HN 1.013 nan 8.150 nan 0.000 0.515 687 G N -0.496 108.336 108.800 0.053 0.000 2.315 687 G HA2 0.046 4.005 3.960 -0.002 0.000 0.296 687 G HA3 0.046 4.005 3.960 -0.002 0.000 0.296 687 G C -1.336 173.591 174.900 0.044 0.000 1.289 687 G CA -0.647 44.475 45.100 0.037 0.000 0.996 687 G HN 0.201 nan 8.290 nan 0.000 0.487 688 N N 0.192 118.912 118.700 0.033 0.000 2.354 688 N HA 0.446 5.185 4.740 -0.002 0.000 0.246 688 N C 1.672 177.213 175.510 0.052 0.000 1.285 688 N CA 0.416 53.493 53.050 0.046 0.000 0.925 688 N CB 1.014 39.531 38.487 0.051 0.000 1.174 688 N HN 1.052 nan 8.380 nan 0.000 0.478 689 A N 0.657 123.505 122.820 0.048 0.000 1.902 689 A HA -0.151 4.169 4.320 -0.002 0.000 0.217 689 A C 0.808 178.417 177.584 0.042 0.000 1.181 689 A CA 1.419 53.480 52.037 0.039 0.000 0.623 689 A CB -0.184 18.822 19.000 0.011 0.000 0.818 689 A HN 0.727 nan 8.150 nan 0.000 0.443 690 Q N -1.127 118.711 119.800 0.063 0.000 2.241 690 Q HA 0.431 4.770 4.340 -0.002 0.000 0.262 690 Q C -0.882 175.170 176.000 0.087 0.000 1.014 690 Q CA -0.681 55.173 55.803 0.084 0.000 0.885 690 Q CB 1.354 30.163 28.738 0.119 0.000 1.311 690 Q HN 0.229 nan 8.270 nan 0.000 0.461 691 T N 1.440 116.035 114.554 0.068 0.000 2.870 691 T HA 0.126 4.475 4.350 -0.002 0.000 0.300 691 T C -0.156 174.561 174.700 0.029 0.000 0.989 691 T CA 0.286 62.413 62.100 0.046 0.000 1.139 691 T CB 0.499 69.383 68.868 0.027 0.000 0.920 691 T HN 0.410 nan 8.240 nan 0.000 0.537 692 T N 2.343 116.900 114.554 0.006 0.000 2.807 692 T HA 0.642 4.991 4.350 -0.002 0.000 0.279 692 T C 0.396 175.129 174.700 0.054 0.000 0.993 692 T CA 0.774 62.852 62.100 -0.038 0.000 0.970 692 T CB 0.323 69.106 68.868 -0.142 0.000 0.950 692 T HN 1.060 nan 8.240 nan 0.000 0.441 693 G N 4.125 112.969 108.800 0.073 0.000 2.472 693 G HA2 -0.016 3.943 3.960 -0.002 0.000 0.205 693 G HA3 -0.016 3.943 3.960 -0.002 0.000 0.205 693 G C -1.060 173.902 174.900 0.104 0.000 1.270 693 G CA -0.055 45.145 45.100 0.167 0.000 0.974 693 G HN 0.990 nan 8.290 nan 0.000 0.542 694 D N -0.270 120.200 120.400 0.116 0.000 2.696 694 D HA 0.578 5.217 4.640 -0.002 0.000 0.251 694 D C 1.697 177.908 176.300 -0.149 0.000 1.188 694 D CA -0.834 53.163 54.000 -0.003 0.000 0.876 694 D CB 0.820 41.624 40.800 0.007 0.000 1.334 694 D HN 0.298 nan 8.370 nan 0.000 0.540 695 L N 2.854 123.896 121.223 -0.301 0.000 2.189 695 L HA -0.097 4.242 4.340 -0.002 0.000 0.214 695 L C 1.860 178.461 176.870 -0.449 0.000 1.097 695 L CA 1.823 56.288 54.840 -0.625 0.000 0.764 695 L CB -1.401 40.421 42.059 -0.395 0.000 0.900 695 L HN 0.633 nan 8.230 nan 0.000 0.436 696 A N -1.204 121.497 122.820 -0.198 0.000 2.308 696 A HA 0.425 4.745 4.320 -0.002 0.000 0.217 696 A C 1.369 178.939 177.584 -0.023 0.000 1.216 696 A CA 0.443 52.423 52.037 -0.096 0.000 0.864 696 A CB -0.340 18.622 19.000 -0.063 0.000 0.902 696 A HN 0.370 nan 8.150 nan 0.000 0.499 697 G N -2.103 106.704 108.800 0.012 0.000 2.543 697 G HA2 0.463 4.422 3.960 -0.002 0.000 0.267 697 G HA3 0.463 4.422 3.960 -0.002 0.000 0.267 697 G C 0.883 175.878 174.900 0.157 0.000 1.406 697 G CA 0.257 45.402 45.100 0.075 0.000 1.048 697 G HN 0.496 nan 8.290 nan 0.000 0.548 698 A N -1.298 121.604 122.820 0.137 0.000 2.197 698 A HA 0.321 4.640 4.320 -0.002 0.000 0.210 698 A C 0.867 178.507 177.584 0.094 0.000 1.180 698 A CA 0.020 52.128 52.037 0.118 0.000 0.846 698 A CB -0.062 18.961 19.000 0.038 0.000 0.884 698 A HN 0.564 nan 8.150 nan 0.000 0.487 699 N N -0.136 118.645 118.700 0.135 0.000 2.442 699 N HA 0.565 5.304 4.740 -0.002 0.000 0.274 699 N C -1.520 174.192 175.510 0.336 0.000 1.002 699 N CA -0.445 52.645 53.050 0.066 0.000 0.910 699 N CB 1.501 39.953 38.487 -0.059 0.000 1.244 699 N HN 0.443 nan 8.380 nan 0.000 0.492 700 Y N -0.117 120.376 120.300 0.322 0.000 2.717 700 Y HA 0.463 5.012 4.550 -0.001 0.000 0.345 700 Y C -2.317 173.682 175.900 0.165 0.000 1.187 700 Y CA -1.222 57.031 58.100 0.255 0.000 1.128 700 Y CB 0.821 39.343 38.460 0.103 0.000 1.360 700 Y HN 0.249 nan 8.280 nan 0.000 0.467 701 I N 2.845 123.524 120.570 0.182 0.000 2.439 701 I HA 0.686 4.855 4.170 -0.002 0.000 0.283 701 I C 0.068 176.288 176.117 0.171 0.000 1.023 701 I CA -1.245 60.093 61.300 0.062 0.000 1.100 701 I CB 1.717 39.597 38.000 -0.199 0.000 1.238 701 I HN 0.969 nan 8.210 nan 0.000 0.445 702 A N 4.594 127.566 122.820 0.254 0.000 2.498 702 A HA 0.501 4.820 4.320 -0.002 0.000 0.239 702 A C 0.830 178.455 177.584 0.069 0.000 1.068 702 A CA 0.217 52.335 52.037 0.136 0.000 0.766 702 A CB 0.117 19.192 19.000 0.125 0.000 1.003 702 A HN 0.876 nan 8.150 nan 0.000 0.497 703 G N -0.379 108.449 108.800 0.047 0.000 2.594 703 G HA2 0.472 4.431 3.960 -0.002 0.000 0.243 703 G HA3 0.472 4.431 3.960 -0.002 0.000 0.243 703 G C 0.863 175.791 174.900 0.047 0.000 1.229 703 G CA 0.179 45.306 45.100 0.044 0.000 0.843 703 G HN 1.479 nan 8.290 nan 0.000 0.578 704 A N 0.025 122.882 122.820 0.061 0.000 2.252 704 A HA 0.559 4.878 4.320 -0.002 0.000 0.213 704 A C 1.820 179.490 177.584 0.145 0.000 1.188 704 A CA 1.330 53.422 52.037 0.092 0.000 0.863 704 A CB -0.693 18.369 19.000 0.102 0.000 0.893 704 A HN 2.454 nan 8.150 nan 0.000 0.495 705 G N -0.398 108.458 108.800 0.093 0.000 2.536 705 G HA2 -0.045 3.914 3.960 -0.002 0.000 0.280 705 G HA3 -0.045 3.914 3.960 -0.002 0.000 0.280 705 G C 1.223 176.162 174.900 0.065 0.000 1.152 705 G CA 0.779 45.928 45.100 0.081 0.000 0.970 705 G HN 1.486 nan 8.290 nan 0.000 0.549 706 A N -0.909 121.932 122.820 0.035 0.000 2.275 706 A HA 0.541 4.860 4.320 -0.002 0.000 0.212 706 A C 0.874 178.358 177.584 -0.167 0.000 1.201 706 A CA 0.780 52.771 52.037 -0.077 0.000 0.843 706 A CB -0.058 18.851 19.000 -0.151 0.000 0.873 706 A HN 0.732 nan 8.150 nan 0.000 0.492 707 Y N 1.444 121.717 120.300 -0.045 0.000 2.667 707 Y HA 0.173 4.722 4.550 -0.001 0.000 0.340 707 Y C 1.618 177.460 175.900 -0.097 0.000 1.303 707 Y CA 0.564 58.593 58.100 -0.118 0.000 1.769 707 Y CB -0.156 38.252 38.460 -0.086 0.000 1.804 707 Y HN 0.326 nan 8.280 nan 0.000 0.451 708 T N -2.457 112.102 114.554 0.009 0.000 3.054 708 T HA 0.183 4.532 4.350 -0.002 0.000 0.255 708 T C -0.282 174.478 174.700 0.100 0.000 1.035 708 T CA -0.140 62.004 62.100 0.073 0.000 0.941 708 T CB -0.480 68.448 68.868 0.101 0.000 1.026 708 T HN 0.342 nan 8.240 nan 0.000 0.533 709 Y N -0.921 119.375 120.300 -0.007 0.000 2.625 709 Y HA 0.760 5.309 4.550 -0.002 0.000 0.338 709 Y C -1.545 174.313 175.900 -0.069 0.000 1.123 709 Y CA -2.027 56.049 58.100 -0.041 0.000 1.046 709 Y CB 0.558 38.975 38.460 -0.072 0.000 1.299 709 Y HN -0.178 nan 8.280 nan 0.000 0.464 710 N N 1.693 120.404 118.700 0.019 0.000 2.426 710 N HA 0.246 4.985 4.740 -0.002 0.000 0.275 710 N C -1.263 174.237 175.510 -0.017 0.000 1.019 710 N CA -0.732 52.234 53.050 -0.140 0.000 0.941 710 N CB 1.039 39.453 38.487 -0.123 0.000 1.123 710 N HN 0.452 nan 8.380 nan 0.000 0.486 711 E N 3.144 123.242 120.200 -0.170 0.000 2.146 711 E HA 0.264 4.613 4.350 -0.002 0.000 0.282 711 E C -2.297 174.193 176.600 -0.184 0.000 0.989 711 E CA -1.882 54.495 56.400 -0.039 0.000 0.799 711 E CB 1.207 30.888 29.700 -0.033 0.000 1.088 711 E HN 0.439 nan 8.360 nan 0.000 0.397 712 P HA 0.160 nan 4.420 nan 0.000 0.276 712 P C 0.232 177.484 177.300 -0.081 0.000 1.244 712 P CA -0.314 62.718 63.100 -0.113 0.000 0.801 712 P CB 1.153 32.828 31.700 -0.042 0.000 1.006 713 G N 1.546 110.315 108.800 -0.052 0.000 2.516 713 G HA2 0.166 4.125 3.960 -0.002 0.000 0.276 713 G HA3 0.166 4.125 3.960 -0.002 0.000 0.276 713 G C -0.241 174.706 174.900 0.078 0.000 1.390 713 G CA -0.780 44.351 45.100 0.052 0.000 1.050 713 G HN 0.627 nan 8.290 nan 0.000 0.519 714 R N -0.635 119.918 120.500 0.089 0.000 2.537 714 R HA 0.169 4.508 4.340 -0.002 0.000 0.281 714 R C -0.867 175.380 176.300 -0.089 0.000 0.988 714 R CA 0.752 56.825 56.100 -0.045 0.000 1.077 714 R CB -0.272 30.000 30.300 -0.048 0.000 0.932 714 R HN 0.352 nan 8.270 nan 0.000 0.409 715 T N 4.526 118.938 114.554 -0.237 0.000 2.971 715 T HA 0.277 4.626 4.350 -0.002 0.000 0.304 715 T C -1.300 173.157 174.700 -0.405 0.000 1.038 715 T CA -0.526 61.473 62.100 -0.168 0.000 1.007 715 T CB 0.614 69.487 68.868 0.007 0.000 1.055 715 T HN 0.507 nan 8.240 nan 0.000 0.451 716 W N 3.139 124.451 121.300 0.021 0.000 2.448 716 W HA 0.664 5.323 4.660 -0.002 0.000 0.339 716 W C -0.172 176.330 176.519 -0.029 0.000 1.124 716 W CA -0.373 56.926 57.345 -0.077 0.000 1.262 716 W CB 0.593 29.999 29.460 -0.090 0.000 1.251 716 W HN 0.774 nan 8.180 nan 0.000 0.597 720 V N 4.881 124.810 119.914 0.026 0.000 2.409 720 V HA 0.531 4.650 4.120 -0.002 0.000 0.290 720 V C -0.700 175.374 176.094 -0.034 0.000 1.017 720 V CA -0.856 61.426 62.300 -0.029 0.000 0.841 720 V CB 1.438 33.218 31.823 -0.071 0.000 1.003 720 V HN 0.835 nan 8.190 nan 0.000 0.426 721 N N 2.236 120.923 118.700 -0.021 0.000 2.392 721 N HA 0.649 5.388 4.740 -0.002 0.000 0.283 721 N C -0.598 174.848 175.510 -0.106 0.000 1.003 721 N CA -0.391 52.677 53.050 0.030 0.000 0.892 721 N CB 2.006 40.578 38.487 0.142 0.000 1.193 721 N HN 0.565 nan 8.380 nan 0.000 0.487 722 T N 1.584 116.086 114.554 -0.088 0.000 2.812 722 T HA 0.512 4.861 4.350 -0.002 0.000 0.282 722 T C -1.262 173.392 174.700 -0.076 0.000 0.990 722 T CA -0.595 61.378 62.100 -0.212 0.000 0.960 722 T CB 0.253 69.092 68.868 -0.048 0.000 0.948 722 T HN 0.752 nan 8.240 nan 0.000 0.438 723 H N 0.865 120.041 119.070 0.177 0.000 3.042 723 H HA 0.755 5.310 4.556 -0.002 0.000 0.346 723 H C -1.137 174.368 175.328 0.296 0.000 1.294 723 H CA -1.391 54.780 56.048 0.204 0.000 1.141 723 H CB 0.764 30.581 29.762 0.091 0.000 1.872 723 H HN 0.597 nan 8.280 nan 0.000 0.541 724 F N 0.000 120.142 119.950 0.320 0.000 2.286 724 F HA 0.000 4.526 4.527 -0.002 0.000 0.279 724 F CA 0.000 58.160 58.000 0.267 0.000 1.383 724 F CB 0.000 39.096 39.000 0.161 0.000 1.145 724 F HN 0.000 nan 8.300 nan 0.000 0.574