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 3eh2_1_A DATA FIRST_RESID 2 DATA SEQUENCE PIQVIEDDRN NRGTEPFVTG VRGQVPPLVT TNFLVKDQGN ASPRYIRCTS DATA SEQUENCE YNIPCTSDMA KQAQVPLAAV IKPLARLPPE EASPYVVDHG ESGPLRCNRC DATA SEQUENCE KAYMCPFMQF IEGGRRFQCC FCSCINDVPP QYFQHLDHTG KRVDAYDRPE DATA SEQUENCE LSLGSYEFLA TVDYCKNNKF PSPPAFIFMI DVSYNAIRTG LVRLLCEELK DATA SEQUENCE SLLDFLPREG GAEESAIRVG FVTYNKVLHF YNVKSSLAQP QMMVVSDVAD DATA SEQUENCE MFVPLLDGFL VNVNESRAVI TSLLDQIPEM FADTRETETV FVPVIQAGME DATA SEQUENCE ALKAAECAGK LFLFHTSLPI AEAPGKLKNR DDRKLINTDK EKTLFQPQTG DATA SEQUENCE AYQTLAKECV AQGCCVDLFL FPNQYVDVAT LSVVPQLTGG SVYKYASFQV DATA SEQUENCE ENDQERFLSD LRRDVQKVVG FDAVMRVRTS TGIRAVDFFG AFYMSNTTDV DATA SEQUENCE ELAGLDGDKT VTVEFKHDDR LNEESGALLQ CALLYTSCAG QRRLRIHNLA DATA SEQUENCE LNCCTQLADL YRNCETDTLI NYMAKFAYRG VLNSPVKAVR DTLITQCAQI DATA SEQUENCE LACYRKNCXX XXXXGQLILP ECMKLLPVYL NCVLKSDVLQ PGAEVTTDDR DATA SEQUENCE AYVRQLVTSM DVTETNVFFY PRLLPLTKSP VESTXXPPAV RASEERLSNG DATA SEQUENCE DIYLLENGLN LFLWVGASVQ QGVVQSLFSV SSFSQITSGL SVLPVLDNPL DATA SEQUENCE SKKVRGLIDS LRAQRSRYMK LTVVKQEDKM EMLFKHFLVE DKSLSGGASY DATA SEQUENCE VDFLCHMHKE IRQLLS 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.191 177.300 -0.182 0.000 1.155 2 P CA 0.000 63.024 63.100 -0.127 0.000 0.800 2 P CB 0.000 31.606 31.700 -0.157 0.000 0.726 3 I N -2.085 118.310 120.570 -0.292 0.000 4.740 3 I HA -0.482 3.780 4.170 0.153 0.000 0.046 3 I C 1.928 177.934 176.117 -0.185 0.000 0.628 3 I CA 2.757 63.838 61.300 -0.366 0.000 0.634 3 I CB -2.327 35.285 38.000 -0.646 0.000 0.604 3 I HN 0.879 nan 8.210 nan 0.000 0.157 4 Q N 2.535 122.271 119.800 -0.107 0.000 2.045 4 Q HA -0.155 4.277 4.340 0.153 0.000 0.206 4 Q C 2.148 178.133 176.000 -0.026 0.000 0.991 4 Q CA 3.271 59.058 55.803 -0.026 0.000 0.851 4 Q CB -0.923 27.820 28.738 0.009 0.000 0.911 4 Q HN 0.832 nan 8.270 nan 0.000 0.418 5 V N -1.207 118.686 119.914 -0.035 0.000 2.548 5 V HA -0.165 4.047 4.120 0.153 0.000 0.249 5 V C 2.338 178.411 176.094 -0.035 0.000 1.055 5 V CA 0.901 63.185 62.300 -0.026 0.000 1.065 5 V CB -0.724 31.084 31.823 -0.024 0.000 0.681 5 V HN 0.271 nan 8.190 nan 0.000 0.462 6 I N 1.629 122.164 120.570 -0.058 0.000 2.099 6 I HA -0.213 4.049 4.170 0.153 0.000 0.239 6 I C 2.861 178.957 176.117 -0.035 0.000 1.066 6 I CA 2.177 63.442 61.300 -0.058 0.000 1.324 6 I CB -1.460 36.485 38.000 -0.092 0.000 1.037 6 I HN 0.459 nan 8.210 nan 0.000 0.401 7 E N 0.432 120.615 120.200 -0.028 0.000 2.160 7 E HA -0.223 4.219 4.350 0.153 0.000 0.195 7 E C 1.611 178.213 176.600 0.004 0.000 0.991 7 E CA 1.100 57.499 56.400 -0.003 0.000 0.810 7 E CB -0.121 29.585 29.700 0.010 0.000 0.742 7 E HN 0.506 nan 8.360 nan 0.000 0.466 8 D N 0.741 121.141 120.400 -0.000 0.000 2.234 8 D HA -0.090 4.642 4.640 0.153 0.000 0.205 8 D C 1.397 177.697 176.300 0.001 0.000 0.962 8 D CA 0.622 54.626 54.000 0.006 0.000 0.855 8 D CB 0.009 40.814 40.800 0.008 0.000 0.951 8 D HN 0.127 nan 8.370 nan 0.000 0.500 9 D N 0.641 121.036 120.400 -0.008 0.000 2.084 9 D HA -0.138 4.594 4.640 0.153 0.000 0.196 9 D C 2.136 178.428 176.300 -0.014 0.000 0.985 9 D CA 0.759 54.752 54.000 -0.012 0.000 0.826 9 D CB -0.031 40.758 40.800 -0.019 0.000 0.978 9 D HN 0.046 nan 8.370 nan 0.000 0.456 10 R N 1.258 121.746 120.500 -0.020 0.000 2.081 10 R HA -0.084 4.348 4.340 0.153 0.000 0.235 10 R C 1.726 178.019 176.300 -0.011 0.000 1.131 10 R CA 1.327 57.409 56.100 -0.030 0.000 0.960 10 R CB -0.691 29.584 30.300 -0.041 0.000 0.856 10 R HN 0.030 nan 8.270 nan 0.000 0.436 11 N N 0.011 118.716 118.700 0.008 0.000 2.205 11 N HA -0.115 4.717 4.740 0.153 0.000 0.186 11 N C 0.713 176.237 175.510 0.023 0.000 1.015 11 N CA 1.563 54.629 53.050 0.026 0.000 0.862 11 N CB -0.044 38.460 38.487 0.029 0.000 0.986 11 N HN 0.329 nan 8.380 nan 0.000 0.429 12 N N -0.524 118.183 118.700 0.012 0.000 2.356 12 N HA 0.090 4.922 4.740 0.153 0.000 0.178 12 N C 0.477 175.991 175.510 0.008 0.000 1.075 12 N CA 0.359 53.416 53.050 0.012 0.000 0.889 12 N CB 0.372 38.864 38.487 0.009 0.000 0.999 12 N HN 0.252 nan 8.380 nan 0.000 0.464 13 R N -0.173 120.326 120.500 -0.002 0.000 2.432 13 R HA 0.265 4.697 4.340 0.153 0.000 0.260 13 R C 0.496 176.787 176.300 -0.014 0.000 0.935 13 R CA -0.010 56.086 56.100 -0.008 0.000 1.080 13 R CB 0.859 31.148 30.300 -0.017 0.000 1.155 13 R HN -0.028 nan 8.270 nan 0.000 0.531 14 G N -0.089 108.706 108.800 -0.009 0.000 5.102 14 G HA2 0.025 4.077 3.960 0.153 0.000 0.212 14 G HA3 0.025 4.077 3.960 0.153 0.000 0.212 14 G C 0.254 175.176 174.900 0.037 0.000 0.832 14 G CA -0.272 44.818 45.100 -0.017 0.000 0.718 14 G HN -0.028 nan 8.290 nan 0.000 0.506 15 T N 0.133 114.721 114.554 0.056 0.000 3.065 15 T HA 0.163 4.605 4.350 0.153 0.000 0.252 15 T C 1.149 175.906 174.700 0.095 0.000 1.099 15 T CA 0.373 62.523 62.100 0.083 0.000 1.063 15 T CB 0.500 69.403 68.868 0.058 0.000 0.948 15 T HN 0.466 nan 8.240 nan 0.000 0.506 16 E N 1.919 122.169 120.200 0.083 0.000 2.869 16 E HA 0.218 4.660 4.350 0.153 0.000 0.258 16 E C -2.334 174.343 176.600 0.128 0.000 1.354 16 E CA -1.898 54.553 56.400 0.086 0.000 1.065 16 E CB 0.032 29.769 29.700 0.062 0.000 1.215 16 E HN 0.137 nan 8.360 nan 0.000 0.659 17 P HA 0.089 nan 4.420 nan 0.000 0.284 17 P C -1.218 176.190 177.300 0.179 0.000 1.253 17 P CA -0.115 63.079 63.100 0.158 0.000 0.800 17 P CB 0.404 32.166 31.700 0.104 0.000 0.961 18 F N 3.940 123.933 119.950 0.072 0.000 2.371 18 F HA 0.284 4.905 4.527 0.157 0.000 0.363 18 F C -0.701 175.126 175.800 0.045 0.000 1.122 18 F CA -0.803 57.199 58.000 0.002 0.000 1.129 18 F CB 0.577 39.525 39.000 -0.086 0.000 1.173 18 F HN -0.016 nan 8.300 nan 0.000 0.489 19 V N 5.324 124.962 119.914 -0.461 0.000 2.407 19 V HA 0.185 4.397 4.120 0.153 0.000 0.278 19 V C 0.642 176.371 176.094 -0.609 0.000 1.037 19 V CA -0.401 61.682 62.300 -0.362 0.000 0.900 19 V CB 1.328 33.044 31.823 -0.178 0.000 0.983 19 V HN 0.802 nan 8.190 nan 0.000 0.459 20 T N 0.697 115.013 114.554 -0.396 0.000 3.607 20 T HA 0.171 4.613 4.350 0.153 0.000 0.225 20 T C 1.232 175.875 174.700 -0.096 0.000 0.904 20 T CA 0.275 62.203 62.100 -0.287 0.000 0.962 20 T CB -0.079 68.767 68.868 -0.035 0.000 1.221 20 T HN 0.771 nan 8.240 nan 0.000 0.641 21 G N 0.494 109.222 108.800 -0.120 0.000 2.887 21 G HA2 0.342 4.394 3.960 0.153 0.000 0.211 21 G HA3 0.342 4.394 3.960 0.153 0.000 0.211 21 G C 0.175 175.072 174.900 -0.006 0.000 1.152 21 G CA -0.179 44.904 45.100 -0.029 0.000 0.769 21 G HN 0.566 nan 8.290 nan 0.000 0.541 22 V N 0.957 120.850 119.914 -0.035 0.000 2.427 22 V HA 0.321 4.533 4.120 0.153 0.000 0.286 22 V C 1.448 177.560 176.094 0.031 0.000 1.034 22 V CA -0.921 61.377 62.300 -0.004 0.000 0.893 22 V CB 1.575 33.388 31.823 -0.018 0.000 0.982 22 V HN 0.389 nan 8.190 nan 0.000 0.452 23 R N 3.930 124.445 120.500 0.025 0.000 2.507 23 R HA -0.183 4.249 4.340 0.153 0.000 0.197 23 R C 1.358 177.699 176.300 0.069 0.000 0.952 23 R CA 2.235 58.345 56.100 0.016 0.000 0.778 23 R CB -0.639 29.643 30.300 -0.030 0.000 0.719 23 R HN 0.889 nan 8.270 nan 0.000 0.447 24 G N 0.948 109.792 108.800 0.073 0.000 3.717 24 G HA2 0.040 4.092 3.960 0.153 0.000 0.258 24 G HA3 0.040 4.092 3.960 0.153 0.000 0.258 24 G C -0.557 174.422 174.900 0.131 0.000 1.088 24 G CA -0.371 44.824 45.100 0.157 0.000 1.737 24 G HN 0.468 nan 8.290 nan 0.000 0.648 25 Q N 1.082 120.940 119.800 0.097 0.000 2.295 25 Q HA 0.298 4.730 4.340 0.153 0.000 0.259 25 Q C -0.211 175.678 176.000 -0.184 0.000 0.976 25 Q CA -0.485 55.339 55.803 0.034 0.000 0.923 25 Q CB 1.111 29.918 28.738 0.115 0.000 1.185 25 Q HN 0.091 nan 8.270 nan 0.000 0.410 26 V N 8.371 128.070 119.914 -0.359 0.000 2.529 26 V HA 0.133 4.345 4.120 0.153 0.000 0.292 26 V C -1.578 174.166 176.094 -0.583 0.000 1.028 26 V CA -0.901 60.951 62.300 -0.747 0.000 1.074 26 V CB 0.343 31.913 31.823 -0.421 0.000 0.958 26 V HN 0.844 nan 8.190 nan 0.000 0.481 27 P HA 0.349 nan 4.420 nan 0.000 0.275 27 P C -2.728 174.065 177.300 -0.844 0.000 1.266 27 P CA -1.663 60.782 63.100 -1.093 0.000 0.793 27 P CB 0.128 31.362 31.700 -0.777 0.000 1.074 28 P HA 0.116 nan 4.420 nan 0.000 0.273 28 P C -0.035 177.041 177.300 -0.373 0.000 1.250 28 P CA -0.176 62.490 63.100 -0.724 0.000 0.793 28 P CB 0.217 31.253 31.700 -1.107 0.000 1.011 29 L N 1.193 122.316 121.223 -0.166 0.000 2.467 29 L HA -0.016 4.416 4.340 0.153 0.000 0.270 29 L C 1.927 178.846 176.870 0.080 0.000 1.205 29 L CA 0.249 55.068 54.840 -0.034 0.000 0.828 29 L CB 0.596 42.649 42.059 -0.011 0.000 1.101 29 L HN 0.296 nan 8.230 nan 0.000 0.479 30 V N -0.265 119.698 119.914 0.081 0.000 2.720 30 V HA -0.177 4.035 4.120 0.153 0.000 0.256 30 V C 1.792 177.939 176.094 0.089 0.000 1.082 30 V CA 1.768 64.131 62.300 0.105 0.000 1.101 30 V CB -1.431 30.425 31.823 0.055 0.000 0.693 30 V HN 0.970 nan 8.190 nan 0.000 0.479 31 T N -2.724 111.875 114.554 0.075 0.000 3.169 31 T HA 0.149 4.591 4.350 0.153 0.000 0.250 31 T C 0.675 175.421 174.700 0.077 0.000 1.111 31 T CA 0.510 62.647 62.100 0.062 0.000 1.010 31 T CB -0.557 68.342 68.868 0.052 0.000 0.984 31 T HN 0.520 nan 8.240 nan 0.000 0.537 32 T N 2.916 117.550 114.554 0.134 0.000 2.797 32 T HA 0.347 4.789 4.350 0.153 0.000 0.279 32 T C -0.232 174.622 174.700 0.256 0.000 0.991 32 T CA -0.677 61.529 62.100 0.176 0.000 0.979 32 T CB 1.055 70.024 68.868 0.169 0.000 0.943 32 T HN 0.325 nan 8.240 nan 0.000 0.444 33 N N 2.713 121.495 118.700 0.136 0.000 2.488 33 N HA 0.585 5.417 4.740 0.153 0.000 0.274 33 N C -0.834 174.770 175.510 0.156 0.000 1.111 33 N CA -0.339 52.721 53.050 0.018 0.000 0.974 33 N CB 0.587 39.071 38.487 -0.005 0.000 1.089 33 N HN 0.558 nan 8.380 nan 0.000 0.465 34 F N -0.110 119.840 119.950 -0.000 0.000 2.713 34 F HA 0.523 5.140 4.527 0.149 0.000 0.311 34 F C -1.831 173.990 175.800 0.034 0.000 1.141 34 F CA -1.397 56.614 58.000 0.020 0.000 0.939 34 F CB 0.759 39.769 39.000 0.017 0.000 1.325 34 F HN 0.112 nan 8.300 nan 0.000 0.453 35 L N 2.310 123.699 121.223 0.278 0.000 2.317 35 L HA 0.834 5.266 4.340 0.153 0.000 0.281 35 L C -1.280 175.778 176.870 0.314 0.000 1.024 35 L CA -0.742 54.202 54.840 0.174 0.000 0.810 35 L CB 1.790 43.919 42.059 0.117 0.000 1.240 35 L HN 0.623 nan 8.230 nan 0.000 0.427 36 V N 4.996 125.057 119.914 0.245 0.000 2.435 36 V HA 0.477 4.689 4.120 0.153 0.000 0.290 36 V C -0.174 176.019 176.094 0.163 0.000 1.030 36 V CA -0.729 61.745 62.300 0.290 0.000 0.881 36 V CB 1.480 33.485 31.823 0.303 0.000 0.983 36 V HN 0.674 nan 8.190 nan 0.000 0.445 37 K N 3.271 123.745 120.400 0.123 0.000 2.394 37 K HA 0.276 4.688 4.320 0.153 0.000 0.260 37 K C 0.321 176.959 176.600 0.062 0.000 0.967 37 K CA -0.601 55.734 56.287 0.080 0.000 0.855 37 K CB 1.697 34.227 32.500 0.049 0.000 1.101 37 K HN 0.745 nan 8.250 nan 0.000 0.433 38 D N 2.121 122.584 120.400 0.105 0.000 1.998 38 D HA -0.252 4.480 4.640 0.153 0.000 0.267 38 D C 0.429 176.772 176.300 0.072 0.000 1.246 38 D CA 1.821 55.893 54.000 0.121 0.000 1.065 38 D CB 0.305 41.210 40.800 0.175 0.000 1.749 38 D HN 0.768 nan 8.370 nan 0.000 0.599 39 Q N -1.668 118.179 119.800 0.078 0.000 2.506 39 Q HA -0.221 4.210 4.340 0.153 0.000 0.268 39 Q C 0.498 176.537 176.000 0.066 0.000 1.002 39 Q CA 1.234 57.068 55.803 0.050 0.000 1.052 39 Q CB -1.504 27.242 28.738 0.014 0.000 1.383 39 Q HN 0.682 nan 8.270 nan 0.000 0.537 40 G N -1.223 107.639 108.800 0.103 0.000 3.033 40 G HA2 -0.167 3.885 3.960 0.153 0.000 0.196 40 G HA3 -0.167 3.885 3.960 0.153 0.000 0.196 40 G C -0.192 174.833 174.900 0.209 0.000 1.078 40 G CA -0.081 45.100 45.100 0.135 0.000 0.805 40 G HN 0.249 nan 8.290 nan 0.000 0.472 41 N N 1.139 119.972 118.700 0.221 0.000 2.430 41 N HA 0.717 5.549 4.740 0.153 0.000 0.298 41 N C 0.305 175.983 175.510 0.279 0.000 1.130 41 N CA 0.440 53.667 53.050 0.295 0.000 0.894 41 N CB 1.634 40.277 38.487 0.260 0.000 1.209 41 N HN 0.732 nan 8.380 nan 0.000 0.503 42 A N 0.651 123.660 122.820 0.316 0.000 2.511 42 A HA 0.201 4.613 4.320 0.153 0.000 0.242 42 A C 0.785 178.572 177.584 0.338 0.000 1.069 42 A CA -0.065 52.175 52.037 0.339 0.000 0.763 42 A CB -0.162 19.017 19.000 0.298 0.000 1.001 42 A HN 0.574 nan 8.150 nan 0.000 0.498 43 S N 3.260 119.181 115.700 0.368 0.000 2.573 43 S HA 0.224 4.786 4.470 0.153 0.000 0.277 43 S C -0.965 173.772 174.600 0.228 0.000 1.346 43 S CA -0.549 57.817 58.200 0.276 0.000 1.034 43 S CB 0.449 63.727 63.200 0.131 0.000 0.879 43 S HN 0.577 nan 8.310 nan 0.000 0.528 44 P HA -0.068 nan 4.420 nan 0.000 0.228 44 P C 0.789 178.146 177.300 0.096 0.000 1.151 44 P CA 0.809 64.025 63.100 0.194 0.000 0.770 44 P CB 0.039 31.835 31.700 0.161 0.000 0.786 45 R N -1.437 119.051 120.500 -0.021 0.000 2.193 45 R HA -0.023 4.409 4.340 0.153 0.000 0.213 45 R C 2.078 178.277 176.300 -0.168 0.000 1.055 45 R CA 1.038 57.044 56.100 -0.156 0.000 0.995 45 R CB -0.409 29.700 30.300 -0.320 0.000 0.893 45 R HN 0.375 nan 8.270 nan 0.000 0.459 46 Y N -0.193 120.077 120.300 -0.050 0.000 2.389 46 Y HA 0.251 4.894 4.550 0.155 0.000 0.292 46 Y C 0.950 176.767 175.900 -0.138 0.000 1.117 46 Y CA -0.024 57.947 58.100 -0.215 0.000 1.195 46 Y CB 0.812 38.926 38.460 -0.578 0.000 1.076 46 Y HN -0.161 nan 8.280 nan 0.000 0.548 47 I N 0.135 120.779 120.570 0.124 0.000 2.692 47 I HA 0.374 4.636 4.170 0.153 0.000 0.293 47 I C -1.012 175.201 176.117 0.160 0.000 1.200 47 I CA -0.803 60.573 61.300 0.127 0.000 1.036 47 I CB 2.629 40.709 38.000 0.134 0.000 1.258 47 I HN -0.143 nan 8.210 nan 0.000 0.421 48 R N 3.607 124.190 120.500 0.138 0.000 2.628 48 R HA 0.736 5.168 4.340 0.153 0.000 0.288 48 R C -1.522 174.813 176.300 0.059 0.000 0.980 48 R CA -0.491 55.710 56.100 0.169 0.000 0.891 48 R CB 2.397 32.790 30.300 0.156 0.000 1.188 48 R HN 0.636 nan 8.270 nan 0.000 0.450 49 C N 0.565 119.802 119.300 -0.105 0.000 2.470 49 C HA 0.343 4.895 4.460 0.153 0.000 0.341 49 C C 2.048 176.907 174.990 -0.218 0.000 1.190 49 C CA -0.604 58.229 59.018 -0.308 0.000 1.904 49 C CB 1.778 29.094 27.740 -0.706 0.000 2.354 49 C HN 0.976 nan 8.230 nan 0.000 0.509 50 T N -1.726 112.733 114.554 -0.158 0.000 2.942 50 T HA -0.001 4.441 4.350 0.153 0.000 0.265 50 T C 0.635 175.289 174.700 -0.076 0.000 1.062 50 T CA 0.926 62.979 62.100 -0.079 0.000 1.139 50 T CB 0.012 68.811 68.868 -0.116 0.000 0.883 50 T HN 0.655 nan 8.240 nan 0.000 0.468 51 S N -0.544 115.044 115.700 -0.188 0.000 2.614 51 S HA 0.539 5.101 4.470 0.153 0.000 0.288 51 S C -0.916 173.521 174.600 -0.272 0.000 1.137 51 S CA -0.870 57.252 58.200 -0.131 0.000 0.992 51 S CB 1.039 64.177 63.200 -0.103 0.000 1.026 51 S HN 0.274 nan 8.310 nan 0.000 0.486 52 Y N 2.871 123.160 120.300 -0.019 0.000 2.458 52 Y HA 0.447 5.088 4.550 0.153 0.000 0.256 52 Y C 1.111 176.998 175.900 -0.022 0.000 1.159 52 Y CA -0.273 57.820 58.100 -0.011 0.000 1.261 52 Y CB 0.579 39.043 38.460 0.007 0.000 1.119 52 Y HN 0.543 nan 8.280 nan 0.000 0.524 53 N N 1.091 119.830 118.700 0.064 0.000 2.690 53 N HA 0.158 4.990 4.740 0.153 0.000 0.255 53 N C -1.422 174.078 175.510 -0.017 0.000 1.195 53 N CA -0.135 52.930 53.050 0.024 0.000 0.790 53 N CB 0.392 38.900 38.487 0.035 0.000 1.216 53 N HN -0.109 nan 8.380 nan 0.000 0.528 54 I N 3.296 123.847 120.570 -0.033 0.000 2.588 54 I HA 0.232 4.494 4.170 0.153 0.000 0.283 54 I C -1.717 174.412 176.117 0.020 0.000 1.119 54 I CA -2.211 59.075 61.300 -0.024 0.000 1.419 54 I CB 0.024 37.987 38.000 -0.060 0.000 1.394 54 I HN 0.256 nan 8.210 nan 0.000 0.562 55 P HA 0.066 nan 4.420 nan 0.000 0.268 55 P C 0.537 177.919 177.300 0.136 0.000 1.205 55 P CA -0.123 62.998 63.100 0.034 0.000 0.771 55 P CB 0.743 32.427 31.700 -0.026 0.000 0.858 56 C N 1.507 120.841 119.300 0.056 0.000 2.432 56 C HA -0.012 4.540 4.460 0.153 0.000 0.280 56 C C 1.589 176.624 174.990 0.074 0.000 1.353 56 C CA 1.536 60.607 59.018 0.088 0.000 1.766 56 C CB -1.147 26.609 27.740 0.026 0.000 1.924 56 C HN 0.710 nan 8.230 nan 0.000 0.509 57 T N -4.208 110.248 114.554 -0.163 0.000 2.864 57 T HA 0.346 4.788 4.350 0.153 0.000 0.289 57 T C 0.716 174.928 174.700 -0.814 0.000 1.082 57 T CA 0.138 62.043 62.100 -0.324 0.000 1.009 57 T CB 1.408 70.188 68.868 -0.148 0.000 1.234 57 T HN -0.068 nan 8.240 nan 0.000 0.526 58 S N -0.301 115.071 115.700 -0.546 0.000 2.387 58 S HA -0.095 4.467 4.470 0.153 0.000 0.226 58 S C 1.303 175.768 174.600 -0.225 0.000 1.026 58 S CA 1.511 59.477 58.200 -0.391 0.000 0.972 58 S CB -0.885 62.254 63.200 -0.101 0.000 0.814 58 S HN 0.694 nan 8.310 nan 0.000 0.477 59 D N 1.164 121.467 120.400 -0.161 0.000 2.117 59 D HA -0.094 4.638 4.640 0.153 0.000 0.198 59 D C 1.889 178.130 176.300 -0.099 0.000 0.982 59 D CA 1.146 55.088 54.000 -0.097 0.000 0.828 59 D CB -0.446 40.314 40.800 -0.066 0.000 0.967 59 D HN 0.458 nan 8.370 nan 0.000 0.464 60 M N 0.519 120.042 119.600 -0.128 0.000 2.117 60 M HA -0.154 4.418 4.480 0.153 0.000 0.262 60 M C 1.994 178.231 176.300 -0.105 0.000 1.065 60 M CA 1.605 56.844 55.300 -0.101 0.000 1.114 60 M CB 0.099 32.637 32.600 -0.104 0.000 1.361 60 M HN -0.003 nan 8.290 nan 0.000 0.408 61 A N 0.752 123.474 122.820 -0.163 0.000 1.877 61 A HA -0.192 4.220 4.320 0.153 0.000 0.216 61 A C 2.022 179.572 177.584 -0.057 0.000 1.186 61 A CA 1.950 53.923 52.037 -0.106 0.000 0.620 61 A CB -0.652 18.283 19.000 -0.108 0.000 0.822 61 A HN 0.594 nan 8.150 nan 0.000 0.443 62 K N -0.324 120.042 120.400 -0.057 0.000 2.360 62 K HA -0.147 4.265 4.320 0.153 0.000 0.201 62 K C 2.042 178.638 176.600 -0.007 0.000 1.046 62 K CA 1.293 57.566 56.287 -0.024 0.000 0.945 62 K CB -0.139 32.347 32.500 -0.024 0.000 0.750 62 K HN 0.633 nan 8.250 nan 0.000 0.464 63 Q N -0.474 119.320 119.800 -0.010 0.000 2.230 63 Q HA -0.030 4.402 4.340 0.153 0.000 0.202 63 Q C 1.789 177.827 176.000 0.064 0.000 0.963 63 Q CA 1.112 56.926 55.803 0.020 0.000 0.866 63 Q CB 0.214 28.961 28.738 0.016 0.000 0.931 63 Q HN 0.319 nan 8.270 nan 0.000 0.452 64 A N -0.376 122.472 122.820 0.047 0.000 2.085 64 A HA -0.006 4.406 4.320 0.153 0.000 0.208 64 A C 0.657 178.288 177.584 0.078 0.000 1.191 64 A CA -0.012 52.087 52.037 0.102 0.000 0.799 64 A CB 0.571 19.540 19.000 -0.052 0.000 0.877 64 A HN 0.167 nan 8.150 nan 0.000 0.473 65 Q N -1.180 118.637 119.800 0.028 0.000 2.481 65 Q HA -0.145 4.287 4.340 0.153 0.000 0.258 65 Q C -0.346 175.657 176.000 0.004 0.000 0.961 65 Q CA 0.949 56.762 55.803 0.017 0.000 1.121 65 Q CB -2.588 26.168 28.738 0.030 0.000 1.503 65 Q HN 0.420 nan 8.270 nan 0.000 0.544 66 V N 3.189 123.095 119.914 -0.013 0.000 2.389 66 V HA 0.210 4.422 4.120 0.153 0.000 0.264 66 V C -1.295 174.754 176.094 -0.075 0.000 1.049 66 V CA -0.981 61.297 62.300 -0.036 0.000 0.932 66 V CB 0.948 32.737 31.823 -0.057 0.000 1.011 66 V HN 0.061 nan 8.190 nan 0.000 0.475 67 P HA 0.066 nan 4.420 nan 0.000 0.265 67 P C -1.055 176.091 177.300 -0.256 0.000 1.193 67 P CA -0.166 62.796 63.100 -0.230 0.000 0.765 67 P CB 0.794 32.259 31.700 -0.391 0.000 0.823 68 L N 2.703 123.803 121.223 -0.204 0.000 2.264 68 L HA 0.617 5.049 4.340 0.153 0.000 0.287 68 L C 0.608 177.405 176.870 -0.121 0.000 1.039 68 L CA -0.491 54.279 54.840 -0.117 0.000 0.829 68 L CB 0.033 42.085 42.059 -0.011 0.000 1.211 68 L HN 0.490 nan 8.230 nan 0.000 0.427 69 A N 2.931 125.644 122.820 -0.179 0.000 2.515 69 A HA 0.983 5.394 4.320 0.153 0.000 0.296 69 A C -0.958 176.627 177.584 0.002 0.000 1.094 69 A CA -0.435 51.505 52.037 -0.161 0.000 0.718 69 A CB 2.056 20.777 19.000 -0.465 0.000 1.307 69 A HN 0.689 nan 8.150 nan 0.000 0.408 70 A N 0.352 123.224 122.820 0.087 0.000 2.374 70 A HA 0.664 5.076 4.320 0.153 0.000 0.305 70 A C -1.168 176.482 177.584 0.111 0.000 1.053 70 A CA -0.435 51.681 52.037 0.131 0.000 0.726 70 A CB 1.376 20.549 19.000 0.289 0.000 1.229 70 A HN 1.277 nan 8.150 nan 0.000 0.431 71 V N 4.069 124.044 119.914 0.100 0.000 2.328 71 V HA 0.357 4.569 4.120 0.153 0.000 0.278 71 V C -0.302 175.859 176.094 0.112 0.000 1.021 71 V CA 0.004 62.368 62.300 0.108 0.000 0.838 71 V CB 0.599 32.474 31.823 0.087 0.000 0.999 71 V HN 0.701 nan 8.190 nan 0.000 0.447 72 I N 4.714 125.360 120.570 0.127 0.000 2.412 72 I HA 0.510 4.772 4.170 0.153 0.000 0.296 72 I C 0.128 176.311 176.117 0.110 0.000 0.987 72 I CA -0.504 60.868 61.300 0.120 0.000 1.180 72 I CB 1.720 39.805 38.000 0.142 0.000 1.340 72 I HN 0.463 nan 8.210 nan 0.000 0.455 73 K N 7.479 127.939 120.400 0.101 0.000 2.753 73 K HA 0.359 4.771 4.320 0.153 0.000 0.185 73 K C -2.206 174.485 176.600 0.152 0.000 1.071 73 K CA -1.543 54.808 56.287 0.107 0.000 0.999 73 K CB 1.188 33.741 32.500 0.088 0.000 1.244 73 K HN 0.181 nan 8.250 nan 0.000 0.594 74 P HA -0.209 nan 4.420 nan 0.000 0.217 74 P C 0.234 177.650 177.300 0.192 0.000 1.158 74 P CA 1.298 64.498 63.100 0.167 0.000 0.887 74 P CB 0.233 31.983 31.700 0.084 0.000 0.792 75 L N -2.280 119.010 121.223 0.112 0.000 3.034 75 L HA 0.381 4.813 4.340 0.153 0.000 0.245 75 L C 0.546 177.514 176.870 0.164 0.000 1.295 75 L CA -1.011 53.891 54.840 0.103 0.000 1.068 75 L CB -0.478 41.548 42.059 -0.055 0.000 1.426 75 L HN -0.126 nan 8.230 nan 0.000 0.531 76 A N 0.960 123.930 122.820 0.250 0.000 2.587 76 A HA 0.084 4.496 4.320 0.153 0.000 0.235 76 A C 0.504 178.135 177.584 0.078 0.000 1.044 76 A CA 0.264 52.372 52.037 0.118 0.000 0.754 76 A CB 0.013 19.025 19.000 0.021 0.000 0.968 76 A HN 0.499 nan 8.150 nan 0.000 0.509 77 R N 1.405 121.921 120.500 0.027 0.000 2.389 77 R HA 0.402 4.834 4.340 0.153 0.000 0.295 77 R C -0.645 175.637 176.300 -0.029 0.000 1.075 77 R CA -0.044 56.067 56.100 0.018 0.000 1.005 77 R CB 0.358 30.668 30.300 0.017 0.000 0.987 77 R HN 0.648 nan 8.270 nan 0.000 0.452 78 L N 4.271 125.481 121.223 -0.023 0.000 2.344 78 L HA 0.490 4.922 4.340 0.153 0.000 0.272 78 L C -1.966 174.879 176.870 -0.041 0.000 1.035 78 L CA -2.512 52.293 54.840 -0.059 0.000 0.807 78 L CB 1.173 43.205 42.059 -0.045 0.000 1.237 78 L HN 0.297 nan 8.230 nan 0.000 0.442 79 P HA 0.103 nan 4.420 nan 0.000 0.269 79 P C -2.055 175.231 177.300 -0.023 0.000 1.215 79 P CA -0.890 62.182 63.100 -0.047 0.000 0.780 79 P CB 0.135 31.794 31.700 -0.069 0.000 0.898 80 P HA -0.220 nan 4.420 nan 0.000 0.216 80 P C 0.785 178.086 177.300 0.000 0.000 1.154 80 P CA 1.581 64.680 63.100 -0.003 0.000 0.865 80 P CB -0.021 31.678 31.700 -0.001 0.000 0.789 81 E N -0.785 119.414 120.200 -0.001 0.000 2.347 81 E HA -0.057 4.385 4.350 0.153 0.000 0.196 81 E C 0.345 176.955 176.600 0.017 0.000 1.008 81 E CA 0.579 56.984 56.400 0.009 0.000 0.852 81 E CB -0.389 29.317 29.700 0.011 0.000 0.783 81 E HN 0.468 nan 8.360 nan 0.000 0.505 82 E N 0.702 120.907 120.200 0.009 0.000 2.200 82 E HA 0.421 4.863 4.350 0.153 0.000 0.283 82 E C -0.733 175.883 176.600 0.026 0.000 1.015 82 E CA -0.647 55.766 56.400 0.022 0.000 0.819 82 E CB 1.337 31.039 29.700 0.004 0.000 1.081 82 E HN 0.140 nan 8.360 nan 0.000 0.397 83 A N 3.083 125.929 122.820 0.043 0.000 2.511 83 A HA 0.160 4.572 4.320 0.153 0.000 0.242 83 A C 0.224 177.830 177.584 0.037 0.000 1.069 83 A CA -0.175 51.875 52.037 0.021 0.000 0.763 83 A CB 0.367 19.391 19.000 0.041 0.000 1.001 83 A HN 0.572 nan 8.150 nan 0.000 0.498 84 S N 2.407 118.098 115.700 -0.016 0.000 2.614 84 S HA 0.425 4.987 4.470 0.153 0.000 0.265 84 S C -2.270 172.325 174.600 -0.008 0.000 1.303 84 S CA -0.627 57.591 58.200 0.030 0.000 1.000 84 S CB 0.052 63.252 63.200 -0.001 0.000 0.935 84 S HN 0.650 nan 8.310 nan 0.000 0.551 85 P HA 0.148 nan 4.420 nan 0.000 0.268 85 P C -1.004 176.296 177.300 -0.000 0.000 1.204 85 P CA 0.080 63.219 63.100 0.065 0.000 0.768 85 P CB 0.105 31.808 31.700 0.004 0.000 0.842 86 Y N 0.929 121.257 120.300 0.046 0.000 2.346 86 Y HA 0.193 4.835 4.550 0.153 0.000 0.330 86 Y C 0.790 176.687 175.900 -0.006 0.000 1.178 86 Y CA -0.047 58.065 58.100 0.019 0.000 1.331 86 Y CB 0.589 39.053 38.460 0.008 0.000 1.253 86 Y HN 0.065 nan 8.280 nan 0.000 0.529 87 V N 4.781 124.773 119.914 0.130 0.000 2.383 87 V HA 0.259 4.471 4.120 0.153 0.000 0.275 87 V C -0.373 175.763 176.094 0.070 0.000 1.036 87 V CA -0.812 61.527 62.300 0.066 0.000 0.889 87 V CB 0.955 32.801 31.823 0.039 0.000 0.985 87 V HN 0.459 nan 8.190 nan 0.000 0.459 88 V N 4.041 123.987 119.914 0.053 0.000 2.427 88 V HA 0.377 4.589 4.120 0.153 0.000 0.286 88 V C -0.284 175.898 176.094 0.147 0.000 1.034 88 V CA -0.449 61.892 62.300 0.068 0.000 0.893 88 V CB 1.845 33.720 31.823 0.087 0.000 0.982 88 V HN 0.978 nan 8.190 nan 0.000 0.452 89 D N 2.132 122.547 120.400 0.025 0.000 2.460 89 D HA 0.266 4.998 4.640 0.153 0.000 0.232 89 D C 0.521 176.833 176.300 0.021 0.000 1.079 89 D CA -0.295 53.743 54.000 0.064 0.000 0.864 89 D CB 0.609 41.435 40.800 0.043 0.000 1.048 89 D HN 0.552 nan 8.370 nan 0.000 0.523 90 H N 3.323 122.498 119.070 0.175 0.000 2.524 90 H HA 0.286 4.933 4.556 0.153 0.000 0.280 90 H C 1.355 176.679 175.328 -0.007 0.000 1.018 90 H CA 0.601 56.718 56.048 0.116 0.000 1.165 90 H CB 0.275 30.039 29.762 0.003 0.000 1.411 90 H HN 0.709 nan 8.280 nan 0.000 0.569 91 G N 1.509 110.440 108.800 0.218 0.000 2.569 91 G HA2 -0.342 3.710 3.960 0.153 0.000 0.259 91 G HA3 -0.342 3.710 3.960 0.153 0.000 0.259 91 G C 0.963 175.919 174.900 0.093 0.000 1.263 91 G CA 0.260 45.455 45.100 0.159 0.000 0.928 91 G HN 0.440 nan 8.290 nan 0.000 0.572 92 E N 0.376 120.611 120.200 0.058 0.000 2.204 92 E HA -0.074 4.368 4.350 0.153 0.000 0.195 92 E C 2.826 179.456 176.600 0.050 0.000 0.990 92 E CA 1.658 58.100 56.400 0.071 0.000 0.821 92 E CB -0.182 29.551 29.700 0.055 0.000 0.750 92 E HN 0.688 nan 8.360 nan 0.000 0.477 93 S N 0.225 115.928 115.700 0.006 0.000 2.481 93 S HA 0.081 4.643 4.470 0.153 0.000 0.231 93 S C 1.234 175.865 174.600 0.052 0.000 0.996 93 S CA 0.306 58.514 58.200 0.014 0.000 0.942 93 S CB -0.354 62.840 63.200 -0.009 0.000 0.768 93 S HN 0.391 nan 8.310 nan 0.000 0.520 94 G N 1.967 110.823 108.800 0.092 0.000 2.804 94 G HA2 -0.167 3.885 3.960 0.153 0.000 0.230 94 G HA3 -0.167 3.885 3.960 0.153 0.000 0.230 94 G C -2.875 172.024 174.900 -0.001 0.000 1.386 94 G CA -0.463 44.702 45.100 0.108 0.000 0.875 94 G HN 0.488 nan 8.290 nan 0.000 0.557 95 P HA 0.368 nan 4.420 nan 0.000 0.271 95 P C -0.023 177.080 177.300 -0.328 0.000 1.216 95 P CA -0.374 62.414 63.100 -0.520 0.000 0.776 95 P CB 1.216 32.172 31.700 -1.240 0.000 0.881 96 L N 4.741 125.675 121.223 -0.481 0.000 2.410 96 L HA 0.226 4.658 4.340 0.153 0.000 0.273 96 L C 0.487 177.186 176.870 -0.286 0.000 1.152 96 L CA 0.500 55.004 54.840 -0.561 0.000 0.855 96 L CB -0.056 41.300 42.059 -1.173 0.000 1.129 96 L HN 0.387 nan 8.230 nan 0.000 0.463 97 R N 3.245 123.634 120.500 -0.184 0.000 2.837 97 R HA 0.436 4.868 4.340 0.153 0.000 0.271 97 R C -1.236 175.068 176.300 0.006 0.000 0.993 97 R CA -0.901 55.110 56.100 -0.149 0.000 0.931 97 R CB 1.285 31.389 30.300 -0.327 0.000 1.206 97 R HN 0.725 nan 8.270 nan 0.000 0.474 98 C N 1.929 121.264 119.300 0.059 0.000 2.648 98 C HA 0.023 4.575 4.460 0.153 0.000 0.415 98 C C 1.771 176.742 174.990 -0.031 0.000 1.366 98 C CA -0.018 59.056 59.018 0.093 0.000 1.756 98 C CB -0.919 26.898 27.740 0.128 0.000 2.549 98 C HN 0.918 nan 8.230 nan 0.000 0.597 99 N N 3.122 121.784 118.700 -0.064 0.000 2.348 99 N HA -0.125 4.707 4.740 0.153 0.000 0.185 99 N C 1.962 177.430 175.510 -0.069 0.000 1.019 99 N CA 1.759 54.761 53.050 -0.081 0.000 0.880 99 N CB -0.145 38.282 38.487 -0.100 0.000 0.965 99 N HN 0.869 nan 8.380 nan 0.000 0.437 100 R N -0.699 119.767 120.500 -0.056 0.000 2.038 100 R HA 0.054 4.486 4.340 0.153 0.000 0.214 100 R C 2.170 178.452 176.300 -0.030 0.000 1.249 100 R CA 1.263 57.338 56.100 -0.040 0.000 1.025 100 R CB -0.771 29.510 30.300 -0.031 0.000 0.911 100 R HN 0.443 nan 8.270 nan 0.000 0.456 101 C N 0.696 119.989 119.300 -0.012 0.000 2.618 101 C HA 0.429 4.981 4.460 0.153 0.000 0.264 101 C C 0.578 175.533 174.990 -0.058 0.000 1.334 101 C CA -0.262 58.748 59.018 -0.013 0.000 1.731 101 C CB -0.489 27.267 27.740 0.027 0.000 1.852 101 C HN 0.646 nan 8.230 nan 0.000 0.566 102 K N -0.227 120.123 120.400 -0.084 0.000 3.281 102 K HA -0.167 4.245 4.320 0.153 0.000 0.295 102 K C 0.416 176.844 176.600 -0.287 0.000 1.233 102 K CA 0.418 56.599 56.287 -0.177 0.000 0.866 102 K CB -2.028 30.373 32.500 -0.166 0.000 1.265 102 K HN 0.837 nan 8.250 nan 0.000 0.482 103 A N 0.386 123.101 122.820 -0.176 0.000 2.386 103 A HA 0.440 4.852 4.320 0.153 0.000 0.248 103 A C -0.080 177.422 177.584 -0.137 0.000 1.082 103 A CA -0.091 51.830 52.037 -0.194 0.000 0.789 103 A CB 0.097 18.959 19.000 -0.230 0.000 1.025 103 A HN 0.229 nan 8.150 nan 0.000 0.490 104 Y N 0.350 120.699 120.300 0.081 0.000 2.307 104 Y HA 0.378 5.020 4.550 0.154 0.000 0.324 104 Y C 0.770 176.799 175.900 0.214 0.000 1.238 104 Y CA -0.483 57.708 58.100 0.152 0.000 1.280 104 Y CB 0.796 39.419 38.460 0.271 0.000 1.248 104 Y HN 0.717 nan 8.280 nan 0.000 0.508 105 M N 4.032 123.796 119.600 0.275 0.000 2.248 105 M HA 0.232 4.804 4.480 0.153 0.000 0.343 105 M C -0.573 175.936 176.300 0.347 0.000 1.243 105 M CA -0.237 55.151 55.300 0.146 0.000 1.025 105 M CB -0.709 31.953 32.600 0.102 0.000 1.759 105 M HN 0.793 nan 8.290 nan 0.000 0.452 106 C N 3.881 123.312 119.300 0.217 0.000 3.336 106 C HA 0.686 5.238 4.460 0.153 0.000 0.339 106 C C -2.146 172.837 174.990 -0.012 0.000 1.468 106 C CA -1.153 57.968 59.018 0.172 0.000 1.287 106 C CB 0.857 28.722 27.740 0.208 0.000 1.682 106 C HN 0.722 nan 8.230 nan 0.000 0.451 107 P HA 0.008 nan 4.420 nan 0.000 0.228 107 P C 0.783 178.085 177.300 0.003 0.000 1.151 107 P CA 1.280 64.292 63.100 -0.146 0.000 0.770 107 P CB -0.158 31.416 31.700 -0.210 0.000 0.786 108 F N -2.896 117.114 119.950 0.100 0.000 2.698 108 F HA 0.173 4.791 4.527 0.153 0.000 0.295 108 F C 1.310 177.100 175.800 -0.016 0.000 1.124 108 F CA -0.313 57.693 58.000 0.010 0.000 1.426 108 F CB -1.172 37.770 39.000 -0.097 0.000 1.120 108 F HN -0.141 nan 8.300 nan 0.000 0.583 109 M N 1.587 121.270 119.600 0.139 0.000 2.260 109 M HA -0.001 4.571 4.480 0.153 0.000 0.348 109 M C 0.406 176.731 176.300 0.043 0.000 1.342 109 M CA 0.561 55.875 55.300 0.023 0.000 1.040 109 M CB -0.035 32.401 32.600 -0.272 0.000 1.810 109 M HN 0.094 nan 8.290 nan 0.000 0.453 110 Q N 2.958 122.790 119.800 0.052 0.000 2.360 110 Q HA 0.353 4.785 4.340 0.153 0.000 0.254 110 Q C -1.305 174.728 176.000 0.055 0.000 0.975 110 Q CA -0.227 55.635 55.803 0.099 0.000 0.912 110 Q CB 0.565 29.351 28.738 0.080 0.000 1.212 110 Q HN 0.411 nan 8.270 nan 0.000 0.452 111 F N 4.149 124.189 119.950 0.150 0.000 2.399 111 F HA 0.363 4.982 4.527 0.153 0.000 0.342 111 F C 0.969 176.838 175.800 0.114 0.000 1.106 111 F CA -0.279 57.822 58.000 0.169 0.000 1.196 111 F CB 0.593 39.667 39.000 0.123 0.000 1.163 111 F HN 0.393 nan 8.300 nan 0.000 0.547 112 I N -2.295 118.422 120.570 0.245 0.000 3.174 112 I HA 0.505 4.766 4.170 0.153 0.000 0.313 112 I C -0.964 175.233 176.117 0.134 0.000 1.155 112 I CA -1.346 60.043 61.300 0.148 0.000 0.977 112 I CB 2.099 40.145 38.000 0.078 0.000 1.248 112 I HN 0.700 nan 8.210 nan 0.000 0.453 113 E N 2.037 122.291 120.200 0.090 0.000 2.222 113 E HA -0.204 4.238 4.350 0.153 0.000 0.189 113 E C 0.853 177.507 176.600 0.089 0.000 1.415 113 E CA 0.606 57.050 56.400 0.073 0.000 0.689 113 E CB -1.907 27.827 29.700 0.056 0.000 1.107 113 E HN 1.440 nan 8.360 nan 0.000 0.350 114 G N -0.281 108.571 108.800 0.086 0.000 2.203 114 G HA2 -0.204 3.848 3.960 0.153 0.000 0.263 114 G HA3 -0.204 3.848 3.960 0.153 0.000 0.263 114 G C 0.988 175.956 174.900 0.114 0.000 1.012 114 G CA 0.882 46.031 45.100 0.082 0.000 0.749 114 G HN 1.697 nan 8.290 nan 0.000 0.512 115 G N -0.438 108.467 108.800 0.176 0.000 2.162 115 G HA2 -0.305 3.747 3.960 0.153 0.000 0.260 115 G HA3 -0.305 3.747 3.960 0.153 0.000 0.260 115 G C 1.226 176.310 174.900 0.307 0.000 0.976 115 G CA 1.435 46.701 45.100 0.275 0.000 0.655 115 G HN 1.796 nan 8.290 nan 0.000 0.533 116 R N -0.378 120.248 120.500 0.209 0.000 2.236 116 R HA 0.285 4.717 4.340 0.153 0.000 0.208 116 R C 1.118 177.526 176.300 0.179 0.000 1.036 116 R CA 0.745 56.951 56.100 0.177 0.000 1.001 116 R CB 0.169 30.535 30.300 0.110 0.000 0.896 116 R HN 0.448 nan 8.270 nan 0.000 0.464 117 R N -0.178 120.435 120.500 0.189 0.000 2.817 117 R HA 0.427 4.859 4.340 0.153 0.000 0.268 117 R C -1.570 174.816 176.300 0.143 0.000 1.027 117 R CA -0.892 55.270 56.100 0.104 0.000 0.928 117 R CB 1.808 32.100 30.300 -0.013 0.000 1.228 117 R HN 0.112 nan 8.270 nan 0.000 0.469 118 F N -0.992 118.877 119.950 -0.135 0.000 2.591 118 F HA 0.444 5.063 4.527 0.153 0.000 0.309 118 F C -1.038 174.649 175.800 -0.189 0.000 1.098 118 F CA -0.968 56.842 58.000 -0.318 0.000 0.937 118 F CB 1.738 40.275 39.000 -0.771 0.000 1.250 118 F HN 0.298 nan 8.300 nan 0.000 0.447 119 Q N 3.311 123.095 119.800 -0.027 0.000 2.256 119 Q HA 0.385 4.817 4.340 0.153 0.000 0.254 119 Q C -0.831 175.228 176.000 0.098 0.000 0.916 119 Q CA -0.779 54.984 55.803 -0.065 0.000 0.932 119 Q CB 1.405 30.131 28.738 -0.020 0.000 1.207 119 Q HN 1.075 nan 8.270 nan 0.000 0.426 120 C N 5.279 124.609 119.300 0.050 0.000 2.629 120 C HA 0.126 4.678 4.460 0.153 0.000 0.410 120 C C 2.045 177.099 174.990 0.107 0.000 1.339 120 C CA -0.558 58.592 59.018 0.220 0.000 1.810 120 C CB -1.264 26.598 27.740 0.204 0.000 2.549 120 C HN 1.094 nan 8.230 nan 0.000 0.589 121 C N 3.582 122.896 119.300 0.023 0.000 2.456 121 C HA 0.086 4.638 4.460 0.153 0.000 0.279 121 C C 1.883 176.709 174.990 -0.272 0.000 1.427 121 C CA 0.377 59.285 59.018 -0.183 0.000 1.778 121 C CB -2.005 25.551 27.740 -0.306 0.000 1.842 121 C HN 0.874 nan 8.230 nan 0.000 0.531 122 F N 1.498 121.508 119.950 0.100 0.000 2.262 122 F HA 0.078 4.696 4.527 0.153 0.000 0.292 122 F C 2.587 178.410 175.800 0.039 0.000 1.081 122 F CA 1.226 59.268 58.000 0.069 0.000 1.355 122 F CB -0.434 38.621 39.000 0.091 0.000 1.069 122 F HN 0.464 nan 8.300 nan 0.000 0.506 123 C N -1.621 117.805 119.300 0.210 0.000 3.642 123 C HA 0.477 5.029 4.460 0.153 0.000 0.305 123 C C 1.560 176.583 174.990 0.054 0.000 1.492 123 C CA -0.376 58.708 59.018 0.111 0.000 1.809 123 C CB -0.279 27.519 27.740 0.097 0.000 2.639 123 C HN 0.601 nan 8.230 nan 0.000 0.672 124 S N -1.237 114.490 115.700 0.046 0.000 3.228 124 S HA -0.277 4.285 4.470 0.153 0.000 0.282 124 S C 0.055 174.638 174.600 -0.028 0.000 1.286 124 S CA 0.550 58.753 58.200 0.005 0.000 1.066 124 S CB -2.995 60.204 63.200 -0.002 0.000 1.277 124 S HN 1.812 nan 8.310 nan 0.000 0.661 125 C N 2.916 122.196 119.300 -0.033 0.000 2.662 125 C HA 0.545 5.097 4.460 0.153 0.000 0.420 125 C C 0.897 175.781 174.990 -0.178 0.000 1.314 125 C CA -0.669 58.298 59.018 -0.086 0.000 1.963 125 C CB -0.725 26.969 27.740 -0.078 0.000 2.686 125 C HN 0.557 nan 8.230 nan 0.000 0.609 126 I N 6.604 127.058 120.570 -0.194 0.000 2.365 126 I HA 0.377 4.639 4.170 0.153 0.000 0.291 126 I C 0.225 176.116 176.117 -0.377 0.000 1.004 126 I CA 0.374 61.510 61.300 -0.273 0.000 1.311 126 I CB 0.546 38.444 38.000 -0.169 0.000 1.401 126 I HN 0.698 nan 8.210 nan 0.000 0.491 127 N N 4.306 122.623 118.700 -0.639 0.000 2.225 127 N HA 0.275 5.107 4.740 0.153 0.000 0.298 127 N C -1.134 174.116 175.510 -0.434 0.000 1.076 127 N CA -0.674 51.993 53.050 -0.639 0.000 0.792 127 N CB 2.337 40.178 38.487 -1.077 0.000 1.498 127 N HN 0.416 nan 8.380 nan 0.000 0.474 128 D N 0.597 120.878 120.400 -0.198 0.000 2.372 128 D HA 0.173 4.905 4.640 0.153 0.000 0.243 128 D C -0.192 176.135 176.300 0.044 0.000 1.121 128 D CA 0.113 54.080 54.000 -0.055 0.000 0.898 128 D CB 1.382 42.162 40.800 -0.033 0.000 1.202 128 D HN 0.031 nan 8.370 nan 0.000 0.428 129 V N 4.126 124.123 119.914 0.138 0.000 2.350 129 V HA 0.249 4.461 4.120 0.153 0.000 0.276 129 V C -1.998 174.176 176.094 0.133 0.000 1.028 129 V CA -1.567 60.859 62.300 0.209 0.000 0.860 129 V CB 1.265 33.334 31.823 0.411 0.000 0.990 129 V HN 0.436 nan 8.190 nan 0.000 0.453 130 P HA 0.099 nan 4.420 nan 0.000 0.265 130 P C -1.696 175.691 177.300 0.145 0.000 1.193 130 P CA -0.911 62.233 63.100 0.074 0.000 0.765 130 P CB 0.245 31.970 31.700 0.042 0.000 0.823 131 P HA -0.168 nan 4.420 nan 0.000 0.221 131 P C 0.540 177.944 177.300 0.173 0.000 1.145 131 P CA 1.583 64.772 63.100 0.149 0.000 0.795 131 P CB 0.329 32.095 31.700 0.110 0.000 0.775 132 Q N -2.511 117.390 119.800 0.169 0.000 2.159 132 Q HA 0.085 4.517 4.340 0.153 0.000 0.217 132 Q C 1.439 177.555 176.000 0.194 0.000 0.818 132 Q CA -0.487 55.426 55.803 0.185 0.000 1.008 132 Q CB -0.304 28.534 28.738 0.167 0.000 1.148 132 Q HN 0.260 nan 8.270 nan 0.000 0.491 133 Y N 0.750 121.062 120.300 0.020 0.000 2.053 133 Y HA -0.265 4.376 4.550 0.153 0.000 0.277 133 Y C 1.460 177.346 175.900 -0.024 0.000 1.159 133 Y CA 1.865 59.897 58.100 -0.113 0.000 1.125 133 Y CB -0.329 37.888 38.460 -0.405 0.000 0.969 133 Y HN 0.035 nan 8.280 nan 0.000 0.492 134 F N -0.291 119.721 119.950 0.103 0.000 2.234 134 F HA -0.138 4.481 4.527 0.153 0.000 0.296 134 F C 2.316 178.095 175.800 -0.036 0.000 1.089 134 F CA 1.029 59.023 58.000 -0.011 0.000 1.343 134 F CB -0.545 38.488 39.000 0.054 0.000 1.040 134 F HN 0.021 nan 8.300 nan 0.000 0.498 135 Q N -0.692 119.225 119.800 0.195 0.000 2.226 135 Q HA -0.236 4.196 4.340 0.153 0.000 0.204 135 Q C 1.805 177.797 176.000 -0.014 0.000 0.975 135 Q CA 1.520 57.369 55.803 0.077 0.000 0.866 135 Q CB -0.583 28.256 28.738 0.168 0.000 0.915 135 Q HN 0.461 nan 8.270 nan 0.000 0.440 136 H N -0.207 118.859 119.070 -0.006 0.000 2.387 136 H HA -0.124 4.524 4.556 0.153 0.000 0.299 136 H C 1.171 176.420 175.328 -0.131 0.000 1.099 136 H CA 1.219 57.260 56.048 -0.011 0.000 1.315 136 H CB 0.023 29.785 29.762 -0.001 0.000 1.380 136 H HN 0.131 nan 8.280 nan 0.000 0.513 137 L N 0.631 121.740 121.223 -0.190 0.000 2.191 137 L HA -0.142 4.290 4.340 0.153 0.000 0.212 137 L C 1.260 177.958 176.870 -0.286 0.000 1.103 137 L CA 1.512 56.195 54.840 -0.263 0.000 0.769 137 L CB -0.574 41.360 42.059 -0.209 0.000 0.908 137 L HN 0.409 nan 8.230 nan 0.000 0.438 138 D N -1.920 118.245 120.400 -0.391 0.000 2.340 138 D HA -0.022 4.710 4.640 0.153 0.000 0.220 138 D C 0.841 176.788 176.300 -0.589 0.000 1.039 138 D CA 0.490 54.196 54.000 -0.490 0.000 0.866 138 D CB 0.099 40.565 40.800 -0.555 0.000 0.913 138 D HN 0.415 nan 8.370 nan 0.000 0.523 139 H N -0.197 118.771 119.070 -0.169 0.000 2.510 139 H HA 0.172 4.820 4.556 0.153 0.000 0.266 139 H C 0.617 175.834 175.328 -0.184 0.000 1.146 139 H CA -0.097 55.857 56.048 -0.158 0.000 0.993 139 H CB 0.115 29.793 29.762 -0.140 0.000 1.727 139 H HN 0.017 nan 8.280 nan 0.000 0.590 140 T N -3.098 111.384 114.554 -0.120 0.000 2.923 140 T HA 0.404 4.846 4.350 0.153 0.000 0.281 140 T C 1.575 176.243 174.700 -0.054 0.000 0.995 140 T CA -0.597 61.443 62.100 -0.100 0.000 0.985 140 T CB 1.831 70.624 68.868 -0.125 0.000 1.114 140 T HN 0.148 nan 8.240 nan 0.000 0.548 141 G N 0.169 108.947 108.800 -0.036 0.000 3.186 141 G HA2 0.136 4.188 3.960 0.153 0.000 0.214 141 G HA3 0.136 4.188 3.960 0.153 0.000 0.214 141 G C 0.236 175.120 174.900 -0.026 0.000 1.222 141 G CA -0.239 44.847 45.100 -0.023 0.000 0.921 141 G HN 0.621 nan 8.290 nan 0.000 0.504 142 K N 0.210 120.586 120.400 -0.039 0.000 2.098 142 K HA 0.400 4.812 4.320 0.153 0.000 0.257 142 K C 0.529 177.104 176.600 -0.042 0.000 0.999 142 K CA -0.659 55.608 56.287 -0.034 0.000 0.924 142 K CB 1.319 33.795 32.500 -0.039 0.000 1.028 142 K HN 0.032 nan 8.250 nan 0.000 0.466 143 R N 0.700 121.181 120.500 -0.032 0.000 2.643 143 R HA 0.019 4.451 4.340 0.153 0.000 0.270 143 R C 0.672 176.933 176.300 -0.065 0.000 1.061 143 R CA -0.020 56.055 56.100 -0.041 0.000 1.107 143 R CB 0.485 30.768 30.300 -0.029 0.000 0.999 143 R HN 0.514 nan 8.270 nan 0.000 0.460 144 V N -1.037 118.830 119.914 -0.078 0.000 3.253 144 V HA 0.069 4.281 4.120 0.153 0.000 0.320 144 V C 0.853 176.876 176.094 -0.118 0.000 1.442 144 V CA -0.030 62.209 62.300 -0.102 0.000 1.097 144 V CB 0.384 32.141 31.823 -0.109 0.000 1.008 144 V HN 0.778 nan 8.190 nan 0.000 0.463 145 D N 2.581 122.909 120.400 -0.120 0.000 2.178 145 D HA -0.017 4.715 4.640 0.153 0.000 0.202 145 D C 1.227 177.385 176.300 -0.237 0.000 0.974 145 D CA 1.277 55.177 54.000 -0.166 0.000 0.841 145 D CB -0.240 40.477 40.800 -0.140 0.000 0.953 145 D HN 0.684 nan 8.370 nan 0.000 0.478 146 A N -0.140 122.572 122.820 -0.179 0.000 2.555 146 A HA 0.045 4.457 4.320 0.153 0.000 0.233 146 A C 0.644 178.137 177.584 -0.152 0.000 1.060 146 A CA -0.128 51.807 52.037 -0.170 0.000 0.759 146 A CB -0.081 18.842 19.000 -0.129 0.000 0.995 146 A HN 0.224 nan 8.150 nan 0.000 0.506 147 Y N 0.285 120.530 120.300 -0.091 0.000 2.206 147 Y HA -0.067 4.574 4.550 0.153 0.000 0.292 147 Y C 0.699 176.524 175.900 -0.125 0.000 1.123 147 Y CA 0.620 58.661 58.100 -0.098 0.000 1.142 147 Y CB 0.177 38.588 38.460 -0.082 0.000 1.006 147 Y HN 0.584 nan 8.280 nan 0.000 0.518 148 D N 0.883 121.315 120.400 0.053 0.000 2.372 148 D HA 0.148 4.880 4.640 0.153 0.000 0.243 148 D C -0.355 175.872 176.300 -0.123 0.000 1.121 148 D CA 0.127 54.094 54.000 -0.055 0.000 0.898 148 D CB 0.605 41.368 40.800 -0.062 0.000 1.202 148 D HN 0.154 nan 8.370 nan 0.000 0.428 149 R N 2.908 123.322 120.500 -0.142 0.000 2.393 149 R HA 0.274 4.706 4.340 0.153 0.000 0.315 149 R C -1.898 174.285 176.300 -0.195 0.000 0.952 149 R CA -1.631 54.376 56.100 -0.155 0.000 0.842 149 R CB 1.499 31.743 30.300 -0.093 0.000 1.163 149 R HN 0.115 nan 8.270 nan 0.000 0.450 150 P HA -0.349 nan 4.420 nan 0.000 0.218 150 P C 1.057 178.055 177.300 -0.504 0.000 1.165 150 P CA 1.701 64.629 63.100 -0.286 0.000 0.922 150 P CB 0.170 31.735 31.700 -0.225 0.000 0.794 151 E N -0.457 119.333 120.200 -0.684 0.000 2.333 151 E HA -0.149 4.293 4.350 0.153 0.000 0.198 151 E C 1.532 177.851 176.600 -0.469 0.000 1.007 151 E CA 1.008 56.732 56.400 -1.126 0.000 0.845 151 E CB -0.773 28.687 29.700 -0.401 0.000 0.766 151 E HN 0.279 nan 8.360 nan 0.000 0.507 152 L N 0.643 121.740 121.223 -0.210 0.000 2.664 152 L HA 0.158 4.590 4.340 0.153 0.000 0.233 152 L C 1.756 178.573 176.870 -0.088 0.000 1.113 152 L CA 0.628 55.422 54.840 -0.077 0.000 0.896 152 L CB 0.419 42.436 42.059 -0.069 0.000 1.163 152 L HN 0.215 nan 8.230 nan 0.000 0.497 153 S N -1.733 113.898 115.700 -0.115 0.000 2.679 153 S HA 0.328 4.890 4.470 0.153 0.000 0.258 153 S C 0.316 174.911 174.600 -0.008 0.000 1.068 153 S CA -0.444 57.723 58.200 -0.056 0.000 1.115 153 S CB 0.402 63.565 63.200 -0.063 0.000 1.078 153 S HN 0.059 nan 8.310 nan 0.000 0.603 154 L N 1.306 122.536 121.223 0.010 0.000 2.334 154 L HA 0.662 5.094 4.340 0.153 0.000 0.273 154 L C 1.588 178.597 176.870 0.231 0.000 1.013 154 L CA -0.627 54.292 54.840 0.131 0.000 0.816 154 L CB 1.435 43.602 42.059 0.179 0.000 1.278 154 L HN 0.279 nan 8.230 nan 0.000 0.431 155 G N 0.663 109.592 108.800 0.214 0.000 2.422 155 G HA2 -0.075 3.977 3.960 0.153 0.000 0.218 155 G HA3 -0.075 3.977 3.960 0.153 0.000 0.218 155 G C 0.446 175.445 174.900 0.165 0.000 1.140 155 G CA 0.331 45.555 45.100 0.207 0.000 0.775 155 G HN 0.483 nan 8.290 nan 0.000 0.545 156 S N -0.659 115.149 115.700 0.181 0.000 2.557 156 S HA 0.681 5.243 4.470 0.153 0.000 0.291 156 S C -1.239 173.339 174.600 -0.037 0.000 1.116 156 S CA -0.638 57.516 58.200 -0.077 0.000 0.992 156 S CB 1.565 64.826 63.200 0.101 0.000 1.028 156 S HN 0.484 nan 8.310 nan 0.000 0.484 157 Y N -0.600 119.576 120.300 -0.207 0.000 2.677 157 Y HA 0.686 5.328 4.550 0.153 0.000 0.334 157 Y C -1.005 174.684 175.900 -0.352 0.000 1.196 157 Y CA -1.233 56.740 58.100 -0.212 0.000 1.059 157 Y CB 0.734 39.057 38.460 -0.229 0.000 1.315 157 Y HN 0.443 nan 8.280 nan 0.000 0.455 158 E N 0.909 121.017 120.200 -0.155 0.000 2.263 158 E HA 0.590 5.032 4.350 0.153 0.000 0.264 158 E C -1.900 174.571 176.600 -0.214 0.000 0.923 158 E CA -0.988 55.286 56.400 -0.210 0.000 0.802 158 E CB 2.556 32.210 29.700 -0.077 0.000 1.228 158 E HN 0.441 nan 8.360 nan 0.000 0.417 159 F N 0.921 120.871 119.950 0.000 0.000 2.520 159 F HA 0.344 4.963 4.527 0.154 0.000 0.322 159 F C 0.027 175.796 175.800 -0.052 0.000 1.103 159 F CA -0.803 57.214 58.000 0.027 0.000 0.926 159 F CB 1.041 40.053 39.000 0.020 0.000 1.154 159 F HN 0.159 nan 8.300 nan 0.000 0.453 160 L N 3.304 124.643 121.223 0.194 0.000 2.410 160 L HA 0.461 4.893 4.340 0.153 0.000 0.273 160 L C 0.410 177.316 176.870 0.060 0.000 1.152 160 L CA -0.545 54.337 54.840 0.071 0.000 0.855 160 L CB 0.634 42.734 42.059 0.068 0.000 1.129 160 L HN 0.744 nan 8.230 nan 0.000 0.463 161 A N 2.655 125.472 122.820 -0.004 0.000 2.304 161 A HA 0.594 5.005 4.320 0.153 0.000 0.301 161 A C 0.338 178.071 177.584 0.248 0.000 1.132 161 A CA -0.453 51.553 52.037 -0.051 0.000 0.819 161 A CB 0.780 19.672 19.000 -0.180 0.000 1.094 161 A HN 0.759 nan 8.150 nan 0.000 0.492 162 T N -1.109 113.645 114.554 0.334 0.000 2.824 162 T HA 0.377 4.819 4.350 0.153 0.000 0.277 162 T C 1.327 176.136 174.700 0.181 0.000 0.975 162 T CA -0.012 62.289 62.100 0.335 0.000 0.966 162 T CB 0.530 69.553 68.868 0.258 0.000 1.054 162 T HN 1.294 nan 8.240 nan 0.000 0.533 163 V N -1.024 118.771 119.914 -0.199 0.000 2.688 163 V HA -0.126 4.086 4.120 0.153 0.000 0.256 163 V C 1.817 177.816 176.094 -0.159 0.000 1.084 163 V CA 1.681 63.723 62.300 -0.430 0.000 1.103 163 V CB -1.125 30.382 31.823 -0.526 0.000 0.688 163 V HN 0.803 nan 8.190 nan 0.000 0.480 164 D N -0.242 120.108 120.400 -0.084 0.000 2.309 164 D HA -0.145 4.587 4.640 0.153 0.000 0.212 164 D C 1.487 177.649 176.300 -0.229 0.000 0.968 164 D CA 1.531 55.428 54.000 -0.172 0.000 0.882 164 D CB -0.157 40.496 40.800 -0.246 0.000 0.918 164 D HN 0.680 nan 8.370 nan 0.000 0.503 165 Y N -0.139 120.148 120.300 -0.021 0.000 2.485 165 Y HA 0.158 4.800 4.550 0.153 0.000 0.260 165 Y C 0.682 176.591 175.900 0.015 0.000 1.173 165 Y CA -0.420 57.691 58.100 0.019 0.000 1.252 165 Y CB 0.395 38.891 38.460 0.060 0.000 1.123 165 Y HN -0.097 nan 8.280 nan 0.000 0.524 166 C N 0.134 119.483 119.300 0.082 0.000 2.614 166 C HA 0.393 4.945 4.460 0.153 0.000 0.320 166 C C -0.095 174.899 174.990 0.007 0.000 1.200 166 C CA -1.940 57.111 59.018 0.054 0.000 1.700 166 C CB 1.409 29.167 27.740 0.030 0.000 2.275 166 C HN 0.246 nan 8.230 nan 0.000 0.492 167 K N 2.481 122.896 120.400 0.024 0.000 2.484 167 K HA 0.039 4.451 4.320 0.153 0.000 0.280 167 K C 0.453 177.046 176.600 -0.011 0.000 1.013 167 K CA 0.647 56.940 56.287 0.009 0.000 1.029 167 K CB 0.033 32.546 32.500 0.022 0.000 0.902 167 K HN 0.708 nan 8.250 nan 0.000 0.481 168 N N 2.000 120.687 118.700 -0.021 0.000 2.753 168 N HA -0.258 4.574 4.740 0.153 0.000 0.251 168 N C -0.565 174.914 175.510 -0.051 0.000 1.097 168 N CA 1.174 54.207 53.050 -0.029 0.000 0.786 168 N CB -1.381 37.096 38.487 -0.018 0.000 1.137 168 N HN 0.948 nan 8.380 nan 0.000 0.566 169 N N -0.273 118.385 118.700 -0.070 0.000 2.727 169 N HA -0.226 4.606 4.740 0.153 0.000 0.249 169 N C -0.714 174.705 175.510 -0.153 0.000 1.048 169 N CA 1.841 54.822 53.050 -0.114 0.000 0.714 169 N CB -0.358 38.070 38.487 -0.098 0.000 0.959 169 N HN 0.649 nan 8.380 nan 0.000 0.544 170 K N 0.575 120.892 120.400 -0.139 0.000 2.501 170 K HA 0.338 4.750 4.320 0.153 0.000 0.252 170 K C -0.733 175.815 176.600 -0.087 0.000 0.934 170 K CA -0.721 55.488 56.287 -0.130 0.000 0.797 170 K CB 0.594 33.073 32.500 -0.036 0.000 1.270 170 K HN -0.068 nan 8.250 nan 0.000 0.431 171 F N 3.995 123.959 119.950 0.024 0.000 2.563 171 F HA 0.118 4.737 4.527 0.153 0.000 0.363 171 F C -1.262 174.547 175.800 0.014 0.000 1.123 171 F CA -1.065 56.948 58.000 0.022 0.000 1.307 171 F CB -0.006 39.005 39.000 0.018 0.000 1.115 171 F HN 0.441 nan 8.300 nan 0.000 0.592 172 P HA 0.186 nan 4.420 nan 0.000 0.274 172 P C -0.981 176.364 177.300 0.075 0.000 1.246 172 P CA -0.396 62.777 63.100 0.121 0.000 0.795 172 P CB 1.070 32.830 31.700 0.101 0.000 1.006 173 S N 0.886 116.604 115.700 0.030 0.000 2.690 173 S HA 0.500 5.062 4.470 0.153 0.000 0.291 173 S C -2.329 172.239 174.600 -0.053 0.000 1.138 173 S CA -1.185 57.014 58.200 -0.002 0.000 1.013 173 S CB 0.151 63.352 63.200 0.001 0.000 1.053 173 S HN 0.395 nan 8.310 nan 0.000 0.539 174 P HA 0.160 nan 4.420 nan 0.000 0.266 174 P C -2.307 174.876 177.300 -0.195 0.000 1.195 174 P CA -0.720 62.298 63.100 -0.135 0.000 0.768 174 P CB -0.150 31.487 31.700 -0.106 0.000 0.838 175 P HA 0.330 nan 4.420 nan 0.000 0.277 175 P C -1.218 175.934 177.300 -0.247 0.000 1.271 175 P CA -0.214 62.621 63.100 -0.442 0.000 0.795 175 P CB 0.922 31.861 31.700 -1.269 0.000 1.101 176 A N 0.166 122.955 122.820 -0.052 0.000 2.527 176 A HA 0.746 5.158 4.320 0.153 0.000 0.293 176 A C -1.417 176.403 177.584 0.394 0.000 1.117 176 A CA -0.448 51.620 52.037 0.052 0.000 0.723 176 A CB 1.024 20.049 19.000 0.040 0.000 1.313 176 A HN 0.301 nan 8.150 nan 0.000 0.411 177 F N 0.346 120.313 119.950 0.028 0.000 2.495 177 F HA 0.647 5.266 4.527 0.153 0.000 0.327 177 F C -0.041 175.644 175.800 -0.192 0.000 1.103 177 F CA -1.499 56.502 58.000 0.002 0.000 0.949 177 F CB 1.645 40.645 39.000 0.001 0.000 1.142 177 F HN 0.305 nan 8.300 nan 0.000 0.457 178 I N 4.052 124.588 120.570 -0.058 0.000 2.447 178 I HA 0.280 4.542 4.170 0.153 0.000 0.287 178 I C -1.196 174.817 176.117 -0.173 0.000 1.023 178 I CA -0.583 60.657 61.300 -0.100 0.000 1.083 178 I CB 1.640 39.707 38.000 0.112 0.000 1.245 178 I HN 0.261 nan 8.210 nan 0.000 0.434 179 F N 6.487 126.503 119.950 0.111 0.000 2.411 179 F HA 0.478 5.097 4.527 0.153 0.000 0.355 179 F C 0.338 176.345 175.800 0.345 0.000 1.117 179 F CA -0.371 57.800 58.000 0.286 0.000 1.139 179 F CB 1.016 40.116 39.000 0.166 0.000 1.120 179 F HN 0.182 nan 8.300 nan 0.000 0.493 180 M N 6.160 126.097 119.600 0.562 0.000 2.085 180 M HA 0.474 5.046 4.480 0.153 0.000 0.309 180 M C -1.044 175.642 176.300 0.642 0.000 0.947 180 M CA -0.243 55.368 55.300 0.518 0.000 0.918 180 M CB 1.681 34.501 32.600 0.366 0.000 1.504 180 M HN 0.404 nan 8.290 nan 0.000 0.420 181 I N 1.965 122.788 120.570 0.421 0.000 2.377 181 I HA 0.239 4.501 4.170 0.153 0.000 0.293 181 I C -0.002 175.870 176.117 -0.408 0.000 0.987 181 I CA -0.703 60.683 61.300 0.142 0.000 1.185 181 I CB 1.602 39.617 38.000 0.025 0.000 1.341 181 I HN 0.550 nan 8.210 nan 0.000 0.455 182 D N 6.553 126.644 120.400 -0.515 0.000 2.339 182 D HA 0.119 4.851 4.640 0.153 0.000 0.256 182 D C 0.404 176.390 176.300 -0.524 0.000 1.214 182 D CA -0.235 53.259 54.000 -0.844 0.000 0.877 182 D CB 1.427 41.956 40.800 -0.452 0.000 1.111 182 D HN 0.345 nan 8.370 nan 0.000 0.478 183 V N 1.938 121.518 119.914 -0.556 0.000 2.982 183 V HA 0.263 4.475 4.120 0.153 0.000 0.368 183 V C 0.682 176.595 176.094 -0.302 0.000 1.350 183 V CA -0.257 61.754 62.300 -0.482 0.000 1.251 183 V CB -0.995 30.284 31.823 -0.907 0.000 1.284 183 V HN 0.455 nan 8.190 nan 0.000 0.533 184 S N -0.592 114.981 115.700 -0.212 0.000 2.617 184 S HA 0.259 4.821 4.470 0.153 0.000 0.259 184 S C 0.929 175.535 174.600 0.010 0.000 1.301 184 S CA 0.330 58.500 58.200 -0.050 0.000 0.984 184 S CB 0.521 63.702 63.200 -0.032 0.000 0.954 184 S HN 0.513 nan 8.310 nan 0.000 0.572 185 Y N 1.924 122.210 120.300 -0.025 0.000 2.102 185 Y HA -0.254 4.388 4.550 0.154 0.000 0.280 185 Y C 2.129 178.011 175.900 -0.031 0.000 1.178 185 Y CA 2.445 60.538 58.100 -0.012 0.000 1.146 185 Y CB -0.838 37.626 38.460 0.007 0.000 0.968 185 Y HN 0.706 nan 8.280 nan 0.000 0.504 186 N N 0.239 118.867 118.700 -0.120 0.000 2.205 186 N HA -0.189 4.643 4.740 0.153 0.000 0.186 186 N C 1.899 177.267 175.510 -0.237 0.000 1.015 186 N CA 1.425 54.348 53.050 -0.212 0.000 0.862 186 N CB -0.434 38.021 38.487 -0.054 0.000 0.986 186 N HN 0.549 nan 8.380 nan 0.000 0.429 187 A N 1.092 123.778 122.820 -0.222 0.000 1.935 187 A HA 0.040 4.451 4.320 0.153 0.000 0.214 187 A C 2.163 179.592 177.584 -0.259 0.000 1.178 187 A CA 0.476 52.349 52.037 -0.272 0.000 0.640 187 A CB -0.097 18.726 19.000 -0.295 0.000 0.825 187 A HN 0.060 nan 8.150 nan 0.000 0.447 188 I N 0.765 121.205 120.570 -0.217 0.000 2.353 188 I HA -0.193 4.069 4.170 0.153 0.000 0.248 188 I C 2.646 178.653 176.117 -0.183 0.000 1.119 188 I CA 1.708 62.911 61.300 -0.162 0.000 1.417 188 I CB -1.011 36.950 38.000 -0.066 0.000 1.078 188 I HN 0.558 nan 8.210 nan 0.000 0.421 189 R N 1.152 121.467 120.500 -0.308 0.000 2.148 189 R HA -0.113 4.319 4.340 0.153 0.000 0.227 189 R C 1.883 178.075 176.300 -0.180 0.000 1.103 189 R CA 1.840 57.755 56.100 -0.309 0.000 0.983 189 R CB -1.085 28.836 30.300 -0.632 0.000 0.874 189 R HN 0.405 nan 8.270 nan 0.000 0.451 190 T N -3.832 110.636 114.554 -0.142 0.000 3.067 190 T HA 0.259 4.701 4.350 0.153 0.000 0.257 190 T C 1.496 176.185 174.700 -0.018 0.000 1.105 190 T CA 0.372 62.445 62.100 -0.045 0.000 1.104 190 T CB 0.446 69.362 68.868 0.080 0.000 0.925 190 T HN 0.523 nan 8.240 nan 0.000 0.498 191 G N 0.870 109.633 108.800 -0.061 0.000 2.159 191 G HA2 -0.232 3.820 3.960 0.153 0.000 0.227 191 G HA3 -0.232 3.820 3.960 0.153 0.000 0.227 191 G C 0.505 175.366 174.900 -0.065 0.000 0.986 191 G CA 0.268 45.336 45.100 -0.054 0.000 0.651 191 G HN 0.553 nan 8.290 nan 0.000 0.523 192 L N 0.967 122.113 121.223 -0.127 0.000 2.012 192 L HA 0.067 4.499 4.340 0.153 0.000 0.210 192 L C 2.799 179.458 176.870 -0.352 0.000 1.073 192 L CA 2.916 57.546 54.840 -0.350 0.000 0.748 192 L CB -0.746 40.850 42.059 -0.770 0.000 0.891 192 L HN 0.278 nan 8.230 nan 0.000 0.431 193 V N 0.093 119.826 119.914 -0.301 0.000 2.255 193 V HA -0.322 3.890 4.120 0.153 0.000 0.247 193 V C 2.816 178.786 176.094 -0.206 0.000 1.051 193 V CA 2.133 64.274 62.300 -0.264 0.000 1.018 193 V CB -0.828 30.874 31.823 -0.201 0.000 0.641 193 V HN 0.555 nan 8.190 nan 0.000 0.445 194 R N 0.302 120.711 120.500 -0.152 0.000 2.080 194 R HA -0.188 4.244 4.340 0.153 0.000 0.236 194 R C 2.064 178.288 176.300 -0.128 0.000 1.137 194 R CA 2.049 58.075 56.100 -0.123 0.000 0.943 194 R CB -1.098 29.148 30.300 -0.089 0.000 0.846 194 R HN 0.415 nan 8.270 nan 0.000 0.431 195 L N 0.050 121.209 121.223 -0.108 0.000 2.012 195 L HA -0.118 4.314 4.340 0.153 0.000 0.210 195 L C 2.121 178.912 176.870 -0.132 0.000 1.073 195 L CA 1.802 56.595 54.840 -0.078 0.000 0.748 195 L CB -0.790 41.280 42.059 0.019 0.000 0.891 195 L HN 0.405 nan 8.230 nan 0.000 0.431 196 L N -0.980 120.131 121.223 -0.187 0.000 2.017 196 L HA -0.228 4.204 4.340 0.153 0.000 0.208 196 L C 2.504 179.192 176.870 -0.304 0.000 1.073 196 L CA 1.987 56.650 54.840 -0.294 0.000 0.745 196 L CB -0.989 40.789 42.059 -0.469 0.000 0.894 196 L HN 0.403 nan 8.230 nan 0.000 0.432 197 C N -0.212 118.933 119.300 -0.258 0.000 2.429 197 C HA -0.106 4.446 4.460 0.153 0.000 0.277 197 C C 2.669 177.535 174.990 -0.207 0.000 1.262 197 C CA 0.642 59.519 59.018 -0.235 0.000 1.733 197 C CB -0.894 26.724 27.740 -0.204 0.000 2.010 197 C HN 0.564 nan 8.230 nan 0.000 0.483 198 E N 0.723 120.819 120.200 -0.174 0.000 2.077 198 E HA -0.196 4.246 4.350 0.153 0.000 0.193 198 E C 2.030 178.539 176.600 -0.151 0.000 0.989 198 E CA 1.342 57.656 56.400 -0.145 0.000 0.800 198 E CB -0.505 29.125 29.700 -0.117 0.000 0.746 198 E HN 0.632 nan 8.360 nan 0.000 0.452 199 E N 0.927 121.020 120.200 -0.179 0.000 2.077 199 E HA -0.144 4.298 4.350 0.153 0.000 0.193 199 E C 1.954 178.438 176.600 -0.193 0.000 0.989 199 E CA 0.531 56.817 56.400 -0.190 0.000 0.800 199 E CB -0.343 29.207 29.700 -0.251 0.000 0.746 199 E HN 0.053 nan 8.360 nan 0.000 0.452 200 L N 1.054 122.130 121.223 -0.245 0.000 2.187 200 L HA -0.140 4.292 4.340 0.153 0.000 0.213 200 L C 2.026 178.795 176.870 -0.167 0.000 1.100 200 L CA 1.667 56.349 54.840 -0.263 0.000 0.765 200 L CB -0.595 41.261 42.059 -0.338 0.000 0.904 200 L HN 0.130 nan 8.230 nan 0.000 0.437 201 K N -1.698 118.614 120.400 -0.146 0.000 2.152 201 K HA -0.160 4.252 4.320 0.153 0.000 0.206 201 K C 2.334 178.899 176.600 -0.057 0.000 1.048 201 K CA 1.574 57.796 56.287 -0.108 0.000 0.933 201 K CB -0.148 32.288 32.500 -0.107 0.000 0.721 201 K HN 0.279 nan 8.250 nan 0.000 0.447 202 S N 0.218 115.897 115.700 -0.036 0.000 2.468 202 S HA 0.006 4.568 4.470 0.153 0.000 0.226 202 S C 1.784 176.479 174.600 0.158 0.000 1.051 202 S CA 0.001 58.232 58.200 0.052 0.000 0.943 202 S CB -0.023 63.199 63.200 0.037 0.000 0.810 202 S HN 0.156 nan 8.310 nan 0.000 0.509 203 L N 1.933 123.193 121.223 0.062 0.000 2.046 203 L HA 0.152 4.584 4.340 0.153 0.000 0.208 203 L C 1.703 178.670 176.870 0.162 0.000 1.077 203 L CA 1.497 56.409 54.840 0.120 0.000 0.747 203 L CB -0.919 41.103 42.059 -0.062 0.000 0.896 203 L HN 0.294 nan 8.230 nan 0.000 0.432 204 L N -0.321 120.922 121.223 0.033 0.000 2.450 204 L HA -0.214 4.218 4.340 0.153 0.000 0.225 204 L C 1.839 178.721 176.870 0.021 0.000 1.145 204 L CA 1.286 56.149 54.840 0.038 0.000 0.801 204 L CB -1.340 40.734 42.059 0.025 0.000 0.924 204 L HN 0.337 nan 8.230 nan 0.000 0.447 205 D N -1.544 118.841 120.400 -0.024 0.000 2.355 205 D HA -0.012 4.720 4.640 0.153 0.000 0.218 205 D C 0.748 176.767 176.300 -0.468 0.000 1.004 205 D CA 0.590 54.431 54.000 -0.265 0.000 0.880 205 D CB 0.196 40.746 40.800 -0.417 0.000 0.911 205 D HN 0.312 nan 8.370 nan 0.000 0.528 206 F N 0.780 120.735 119.950 0.010 0.000 2.923 206 F HA 0.281 4.900 4.527 0.155 0.000 0.314 206 F C 0.557 176.392 175.800 0.058 0.000 1.196 206 F CA -0.485 57.531 58.000 0.027 0.000 1.320 206 F CB 0.009 39.023 39.000 0.024 0.000 0.953 206 F HN -0.327 nan 8.300 nan 0.000 0.505 207 L N 3.260 124.565 121.223 0.137 0.000 2.439 207 L HA 0.230 4.662 4.340 0.153 0.000 0.269 207 L C -1.752 175.178 176.870 0.100 0.000 1.179 207 L CA -1.986 52.923 54.840 0.116 0.000 0.828 207 L CB 0.155 42.205 42.059 -0.016 0.000 1.106 207 L HN -0.043 nan 8.230 nan 0.000 0.467 208 P HA 0.008 nan 4.420 nan 0.000 0.261 208 P C -0.831 176.518 177.300 0.081 0.000 1.173 208 P CA 0.372 63.558 63.100 0.144 0.000 0.760 208 P CB 0.622 32.457 31.700 0.224 0.000 0.783 209 R N 1.411 121.960 120.500 0.082 0.000 2.854 209 R HA 0.425 4.857 4.340 0.153 0.000 0.271 209 R C 0.564 176.902 176.300 0.064 0.000 0.994 209 R CA -0.598 55.533 56.100 0.051 0.000 0.945 209 R CB 2.152 32.472 30.300 0.035 0.000 1.194 209 R HN 0.463 nan 8.270 nan 0.000 0.476 210 E N 0.053 120.281 120.200 0.047 0.000 3.666 210 E HA 0.332 4.774 4.350 0.153 0.000 0.299 210 E C -0.113 176.506 176.600 0.032 0.000 0.666 210 E CA -0.657 55.773 56.400 0.050 0.000 1.878 210 E CB 0.419 30.150 29.700 0.051 0.000 2.004 210 E HN 0.656 nan 8.360 nan 0.000 0.422 211 G N -0.402 108.411 108.800 0.022 0.000 2.686 211 G HA2 0.276 4.328 3.960 0.153 0.000 0.280 211 G HA3 0.276 4.328 3.960 0.153 0.000 0.280 211 G C 0.739 175.642 174.900 0.005 0.000 0.666 211 G CA 0.533 45.639 45.100 0.011 0.000 2.114 211 G HN 0.752 nan 8.290 nan 0.000 0.553 212 G N 0.443 109.248 108.800 0.008 0.000 2.184 212 G HA2 0.036 4.088 3.960 0.153 0.000 0.264 212 G HA3 0.036 4.088 3.960 0.153 0.000 0.264 212 G C 0.830 175.730 174.900 -0.001 0.000 0.975 212 G CA 0.397 45.499 45.100 0.003 0.000 0.642 212 G HN 1.843 nan 8.290 nan 0.000 0.536 213 A N 0.109 122.928 122.820 -0.001 0.000 2.548 213 A HA 0.511 4.923 4.320 0.153 0.000 0.247 213 A C 1.178 178.756 177.584 -0.011 0.000 1.067 213 A CA 1.307 53.340 52.037 -0.008 0.000 0.757 213 A CB 0.139 19.134 19.000 -0.008 0.000 0.996 213 A HN 0.588 nan 8.150 nan 0.000 0.504 214 E N 1.241 121.430 120.200 -0.018 0.000 2.112 214 E HA -0.069 4.373 4.350 0.153 0.000 0.190 214 E C 0.758 177.336 176.600 -0.038 0.000 0.979 214 E CA 0.829 57.214 56.400 -0.025 0.000 0.814 214 E CB 0.232 29.916 29.700 -0.026 0.000 0.762 214 E HN 0.864 nan 8.360 nan 0.000 0.460 215 E N 1.160 121.337 120.200 -0.038 0.000 2.202 215 E HA 0.216 4.658 4.350 0.153 0.000 0.272 215 E C -0.920 175.654 176.600 -0.042 0.000 0.951 215 E CA -0.433 55.938 56.400 -0.048 0.000 0.813 215 E CB 1.699 31.372 29.700 -0.046 0.000 1.151 215 E HN -0.110 nan 8.360 nan 0.000 0.398 216 S N 1.980 117.650 115.700 -0.050 0.000 2.585 216 S HA 0.334 4.896 4.470 0.153 0.000 0.273 216 S C 0.480 175.043 174.600 -0.063 0.000 1.339 216 S CA 0.290 58.459 58.200 -0.051 0.000 1.028 216 S CB 1.123 64.286 63.200 -0.061 0.000 0.906 216 S HN 0.595 nan 8.310 nan 0.000 0.528 217 A N 4.404 127.181 122.820 -0.071 0.000 2.308 217 A HA 0.340 4.752 4.320 0.153 0.000 0.217 217 A C 0.521 178.035 177.584 -0.116 0.000 1.216 217 A CA -0.245 51.745 52.037 -0.078 0.000 0.864 217 A CB -0.113 18.847 19.000 -0.067 0.000 0.902 217 A HN 0.734 nan 8.150 nan 0.000 0.499 218 I N 1.584 122.054 120.570 -0.166 0.000 2.436 218 I HA 0.190 4.452 4.170 0.153 0.000 0.289 218 I C 0.359 176.370 176.117 -0.178 0.000 1.083 218 I CA 0.158 61.302 61.300 -0.260 0.000 1.372 218 I CB 0.116 37.806 38.000 -0.516 0.000 1.408 218 I HN 0.258 nan 8.210 nan 0.000 0.516 219 R N 4.066 124.492 120.500 -0.124 0.000 2.528 219 R HA 0.687 5.119 4.340 0.153 0.000 0.271 219 R C -0.558 175.709 176.300 -0.056 0.000 1.056 219 R CA -0.549 55.512 56.100 -0.065 0.000 1.117 219 R CB 1.445 31.721 30.300 -0.039 0.000 1.085 219 R HN 0.387 nan 8.270 nan 0.000 0.530 220 V N 0.023 119.909 119.914 -0.047 0.000 2.960 220 V HA 0.773 4.985 4.120 0.153 0.000 0.315 220 V C 0.195 176.086 176.094 -0.338 0.000 1.087 220 V CA -0.758 61.470 62.300 -0.120 0.000 0.982 220 V CB 2.196 33.988 31.823 -0.051 0.000 1.039 220 V HN 0.932 nan 8.190 nan 0.000 0.437 221 G N 0.909 109.357 108.800 -0.588 0.000 2.563 221 G HA2 0.780 4.832 3.960 0.153 0.000 0.302 221 G HA3 0.780 4.832 3.960 0.153 0.000 0.302 221 G C -1.846 172.610 174.900 -0.741 0.000 1.301 221 G CA -0.435 44.131 45.100 -0.890 0.000 0.965 221 G HN 0.364 nan 8.290 nan 0.000 0.480 222 F N 0.196 120.157 119.950 0.017 0.000 2.547 222 F HA 0.661 5.280 4.527 0.153 0.000 0.316 222 F C -0.170 175.963 175.800 0.554 0.000 1.121 222 F CA -0.908 57.281 58.000 0.315 0.000 0.911 222 F CB 2.945 42.065 39.000 0.201 0.000 1.179 222 F HN 0.302 nan 8.300 nan 0.000 0.443 223 V N 1.490 121.771 119.914 0.611 0.000 2.777 223 V HA 0.640 4.852 4.120 0.153 0.000 0.306 223 V C -0.479 175.864 176.094 0.414 0.000 1.112 223 V CA -0.819 61.731 62.300 0.417 0.000 0.917 223 V CB 2.350 34.223 31.823 0.083 0.000 1.018 223 V HN 0.879 nan 8.190 nan 0.000 0.426 224 T N 1.134 115.942 114.554 0.423 0.000 2.940 224 T HA 0.962 5.404 4.350 0.153 0.000 0.288 224 T C -0.949 173.892 174.700 0.235 0.000 1.045 224 T CA -0.736 61.528 62.100 0.272 0.000 1.018 224 T CB 2.288 71.306 68.868 0.250 0.000 1.151 224 T HN 1.358 nan 8.240 nan 0.000 0.529 225 Y N -0.514 119.797 120.300 0.018 0.000 2.687 225 Y HA 0.582 5.224 4.550 0.153 0.000 0.338 225 Y C -0.621 175.251 175.900 -0.045 0.000 1.189 225 Y CA -1.125 56.913 58.100 -0.103 0.000 1.097 225 Y CB 0.148 38.541 38.460 -0.111 0.000 1.342 225 Y HN 0.771 nan 8.280 nan 0.000 0.461 226 N N 1.323 120.111 118.700 0.146 0.000 3.192 226 N HA 0.174 5.006 4.740 0.153 0.000 0.177 226 N C 0.403 176.042 175.510 0.215 0.000 1.460 226 N CA 0.255 53.388 53.050 0.137 0.000 1.146 226 N CB 0.089 38.642 38.487 0.110 0.000 1.095 226 N HN 0.651 nan 8.380 nan 0.000 0.559 227 K N 0.080 120.567 120.400 0.145 0.000 2.358 227 K HA 0.445 4.857 4.320 0.153 0.000 0.200 227 K C -0.314 176.330 176.600 0.073 0.000 1.030 227 K CA -0.196 56.163 56.287 0.119 0.000 1.097 227 K CB 0.954 33.515 32.500 0.102 0.000 0.862 227 K HN 0.161 nan 8.250 nan 0.000 0.534 228 V N 1.510 121.446 119.914 0.037 0.000 3.141 228 V HA 0.512 4.724 4.120 0.153 0.000 0.312 228 V C -1.625 174.344 176.094 -0.209 0.000 1.157 228 V CA -1.267 61.003 62.300 -0.051 0.000 1.041 228 V CB 2.178 33.985 31.823 -0.026 0.000 1.071 228 V HN 0.187 nan 8.190 nan 0.000 0.441 229 L N 2.571 123.631 121.223 -0.272 0.000 2.342 229 L HA 0.638 5.070 4.340 0.153 0.000 0.271 229 L C -1.439 175.112 176.870 -0.531 0.000 1.008 229 L CA -0.734 53.872 54.840 -0.391 0.000 0.818 229 L CB 1.815 43.701 42.059 -0.290 0.000 1.296 229 L HN 0.715 nan 8.230 nan 0.000 0.427 230 H N 1.768 120.742 119.070 -0.160 0.000 2.685 230 H HA 0.430 5.078 4.556 0.153 0.000 0.307 230 H C -1.144 173.881 175.328 -0.504 0.000 1.017 230 H CA -0.326 55.575 56.048 -0.246 0.000 1.237 230 H CB 0.808 30.482 29.762 -0.146 0.000 1.409 230 H HN 0.271 nan 8.280 nan 0.000 0.488 231 F N 2.425 122.266 119.950 -0.180 0.000 2.404 231 F HA 0.279 4.899 4.527 0.154 0.000 0.345 231 F C -0.240 175.463 175.800 -0.161 0.000 1.110 231 F CA -0.455 57.503 58.000 -0.071 0.000 1.130 231 F CB 0.574 39.495 39.000 -0.131 0.000 1.129 231 F HN 0.457 nan 8.300 nan 0.000 0.500 232 Y N 1.838 122.463 120.300 0.542 0.000 2.360 232 Y HA 0.277 4.919 4.550 0.153 0.000 0.337 232 Y C 0.185 176.340 175.900 0.425 0.000 1.039 232 Y CA -1.050 57.289 58.100 0.398 0.000 1.109 232 Y CB 1.109 39.756 38.460 0.311 0.000 1.201 232 Y HN 0.453 nan 8.280 nan 0.000 0.458 233 N N 2.322 121.274 118.700 0.420 0.000 2.425 233 N HA 0.312 5.144 4.740 0.153 0.000 0.268 233 N C -0.849 174.811 175.510 0.251 0.000 0.991 233 N CA -0.278 52.964 53.050 0.320 0.000 0.931 233 N CB 1.529 40.144 38.487 0.213 0.000 1.130 233 N HN 0.543 nan 8.380 nan 0.000 0.493 234 V N 1.296 121.344 119.914 0.223 0.000 2.727 234 V HA 0.357 4.569 4.120 0.153 0.000 0.336 234 V C 0.557 176.716 176.094 0.109 0.000 1.228 234 V CA -0.970 61.414 62.300 0.140 0.000 1.270 234 V CB -0.425 31.472 31.823 0.124 0.000 1.486 234 V HN 0.515 nan 8.190 nan 0.000 0.638 235 K N 1.399 121.862 120.400 0.106 0.000 2.436 235 K HA 0.124 4.536 4.320 0.153 0.000 0.275 235 K C 1.634 178.267 176.600 0.054 0.000 0.999 235 K CA 0.742 57.077 56.287 0.080 0.000 0.980 235 K CB 1.127 33.672 32.500 0.075 0.000 0.919 235 K HN 0.688 nan 8.250 nan 0.000 0.484 236 S N 1.373 117.099 115.700 0.043 0.000 2.440 236 S HA -0.171 4.391 4.470 0.153 0.000 0.240 236 S C 1.270 175.882 174.600 0.021 0.000 1.014 236 S CA 1.397 59.613 58.200 0.026 0.000 0.980 236 S CB -0.328 62.884 63.200 0.020 0.000 0.775 236 S HN 0.644 nan 8.310 nan 0.000 0.499 237 S N 0.741 116.457 115.700 0.025 0.000 2.677 237 S HA 0.530 5.092 4.470 0.153 0.000 0.246 237 S C -0.054 174.559 174.600 0.022 0.000 1.005 237 S CA -0.812 57.400 58.200 0.020 0.000 1.062 237 S CB -0.657 62.556 63.200 0.021 0.000 0.778 237 S HN 0.460 nan 8.310 nan 0.000 0.461 238 L N 0.115 121.353 121.223 0.024 0.000 2.370 238 L HA 0.718 5.150 4.340 0.153 0.000 0.266 238 L C 0.743 177.620 176.870 0.012 0.000 1.002 238 L CA -0.684 54.171 54.840 0.024 0.000 0.818 238 L CB 1.966 44.049 42.059 0.039 0.000 1.325 238 L HN 0.225 nan 8.230 nan 0.000 0.418 239 A N 1.099 123.923 122.820 0.007 0.000 2.252 239 A HA 0.266 4.678 4.320 0.153 0.000 0.213 239 A C 0.378 177.957 177.584 -0.009 0.000 1.188 239 A CA 0.294 52.329 52.037 -0.004 0.000 0.863 239 A CB 0.389 19.385 19.000 -0.006 0.000 0.893 239 A HN 0.646 nan 8.150 nan 0.000 0.495 240 Q N 0.415 120.217 119.800 0.003 0.000 2.359 240 Q HA 0.358 4.789 4.340 0.153 0.000 0.274 240 Q C -3.033 172.983 176.000 0.028 0.000 1.074 240 Q CA -2.136 53.669 55.803 0.003 0.000 0.810 240 Q CB 2.648 31.389 28.738 0.005 0.000 1.342 240 Q HN 0.165 nan 8.270 nan 0.000 0.427 241 P HA 0.083 nan 4.420 nan 0.000 0.276 241 P C -0.864 176.523 177.300 0.145 0.000 1.230 241 P CA -0.106 63.050 63.100 0.093 0.000 0.776 241 P CB 0.931 32.668 31.700 0.062 0.000 0.888 242 Q N 2.418 122.321 119.800 0.172 0.000 2.290 242 Q HA 0.483 4.915 4.340 0.153 0.000 0.259 242 Q C -0.148 175.965 176.000 0.188 0.000 0.941 242 Q CA -0.586 55.308 55.803 0.152 0.000 0.912 242 Q CB 2.192 30.995 28.738 0.108 0.000 1.244 242 Q HN 0.519 nan 8.270 nan 0.000 0.441 243 M N 3.905 123.590 119.600 0.141 0.000 2.209 243 M HA 0.406 4.978 4.480 0.153 0.000 0.355 243 M C -1.255 175.068 176.300 0.039 0.000 1.171 243 M CA -0.259 55.068 55.300 0.044 0.000 1.069 243 M CB 1.019 33.636 32.600 0.029 0.000 1.622 243 M HN 0.590 nan 8.290 nan 0.000 0.459 244 M N 6.316 125.936 119.600 0.033 0.000 2.085 244 M HA 0.389 4.961 4.480 0.153 0.000 0.309 244 M C -1.975 174.382 176.300 0.095 0.000 0.947 244 M CA -0.604 54.728 55.300 0.055 0.000 0.918 244 M CB 1.323 33.941 32.600 0.029 0.000 1.504 244 M HN 0.517 nan 8.290 nan 0.000 0.420 245 V N 5.327 125.297 119.914 0.094 0.000 2.567 245 V HA 0.393 4.605 4.120 0.153 0.000 0.289 245 V C -0.203 175.943 176.094 0.087 0.000 1.049 245 V CA -0.549 61.820 62.300 0.115 0.000 0.969 245 V CB 1.693 33.604 31.823 0.146 0.000 0.995 245 V HN 0.629 nan 8.190 nan 0.000 0.471 246 V N 4.075 124.041 119.914 0.086 0.000 2.305 246 V HA 0.226 4.438 4.120 0.153 0.000 0.275 246 V C 0.861 176.983 176.094 0.045 0.000 1.020 246 V CA 0.209 62.553 62.300 0.073 0.000 0.811 246 V CB 1.025 32.929 31.823 0.135 0.000 1.031 246 V HN 1.042 nan 8.190 nan 0.000 0.439 247 S N 1.250 116.981 115.700 0.052 0.000 2.486 247 S HA 0.008 4.570 4.470 0.153 0.000 0.220 247 S C 0.838 175.467 174.600 0.048 0.000 1.011 247 S CA 0.216 58.444 58.200 0.047 0.000 0.921 247 S CB -0.022 63.213 63.200 0.057 0.000 0.785 247 S HN 0.645 nan 8.310 nan 0.000 0.517 248 D N 2.786 123.221 120.400 0.059 0.000 2.498 248 D HA 0.263 4.995 4.640 0.153 0.000 0.229 248 D C -0.243 176.087 176.300 0.050 0.000 1.188 248 D CA -0.036 53.999 54.000 0.059 0.000 1.028 248 D CB -0.057 40.791 40.800 0.080 0.000 1.087 248 D HN 0.077 nan 8.370 nan 0.000 0.510 249 V N 2.344 122.280 119.914 0.036 0.000 2.953 249 V HA 0.528 4.740 4.120 0.153 0.000 0.304 249 V C 1.414 177.521 176.094 0.022 0.000 1.073 249 V CA 0.448 62.763 62.300 0.024 0.000 1.064 249 V CB 1.010 32.844 31.823 0.018 0.000 1.047 249 V HN 0.785 nan 8.190 nan 0.000 0.478 250 A N 2.644 125.471 122.820 0.011 0.000 1.760 250 A HA -0.247 4.165 4.320 0.153 0.000 0.219 250 A C 1.258 178.848 177.584 0.010 0.000 0.582 250 A CA 1.285 53.327 52.037 0.008 0.000 1.165 250 A CB -2.011 16.996 19.000 0.013 0.000 1.428 250 A HN 0.805 nan 8.150 nan 0.000 0.712 251 D N -1.429 118.985 120.400 0.023 0.000 2.389 251 D HA 0.390 5.122 4.640 0.153 0.000 0.206 251 D C 1.349 177.685 176.300 0.059 0.000 1.055 251 D CA 0.705 54.722 54.000 0.029 0.000 0.856 251 D CB 0.050 40.865 40.800 0.024 0.000 0.957 251 D HN 0.447 nan 8.370 nan 0.000 0.509 252 M N -0.423 119.215 119.600 0.062 0.000 7.319 252 M HA -0.312 4.259 4.480 0.153 0.000 0.330 252 M C -0.208 176.202 176.300 0.182 0.000 0.480 252 M CA 1.573 56.922 55.300 0.081 0.000 1.311 252 M CB -1.312 31.315 32.600 0.045 0.000 0.421 252 M HN 0.371 nan 8.290 nan 0.000 0.884 253 F N -0.840 119.079 119.950 -0.051 0.000 2.178 253 F HA 0.008 4.627 4.527 0.153 0.000 0.521 253 F C -1.300 174.427 175.800 -0.122 0.000 1.287 253 F CA 0.161 58.115 58.000 -0.075 0.000 1.669 253 F CB -0.976 37.990 39.000 -0.057 0.000 2.664 253 F HN 0.211 nan 8.300 nan 0.000 0.726 254 V N 8.754 128.373 119.914 -0.492 0.000 2.275 254 V HA 0.422 4.634 4.120 0.153 0.000 0.272 254 V C -1.428 174.191 176.094 -0.791 0.000 1.028 254 V CA -0.979 60.872 62.300 -0.749 0.000 0.810 254 V CB 1.099 32.513 31.823 -0.682 0.000 1.043 254 V HN 0.612 nan 8.190 nan 0.000 0.453 255 P HA 0.198 nan 4.420 nan 0.000 0.269 255 P C 1.228 178.274 177.300 -0.424 0.000 1.215 255 P CA -0.297 62.441 63.100 -0.602 0.000 0.780 255 P CB 1.548 32.914 31.700 -0.556 0.000 0.898 256 L N 1.184 122.265 121.223 -0.237 0.000 1.981 256 L HA -0.260 4.172 4.340 0.153 0.000 0.237 256 L C 1.396 178.173 176.870 -0.156 0.000 1.095 256 L CA 1.558 56.303 54.840 -0.158 0.000 0.820 256 L CB -0.953 41.067 42.059 -0.065 0.000 0.914 256 L HN 0.405 nan 8.230 nan 0.000 0.442 257 L N 0.738 121.906 121.223 -0.091 0.000 3.573 257 L HA -0.193 4.239 4.340 0.153 0.000 0.578 257 L C -0.197 176.710 176.870 0.061 0.000 1.299 257 L CA 0.157 54.980 54.840 -0.027 0.000 0.914 257 L CB -1.252 40.763 42.059 -0.074 0.000 1.563 257 L HN 0.347 nan 8.230 nan 0.000 0.860 258 D N 1.790 122.224 120.400 0.057 0.000 2.789 258 D HA 0.129 4.861 4.640 0.153 0.000 0.249 258 D C 1.411 177.781 176.300 0.117 0.000 1.290 258 D CA 1.092 55.145 54.000 0.088 0.000 0.989 258 D CB -0.150 40.684 40.800 0.057 0.000 1.145 258 D HN 0.720 nan 8.370 nan 0.000 0.449 259 G N -0.316 108.587 108.800 0.171 0.000 3.651 259 G HA2 0.055 4.107 3.960 0.153 0.000 0.267 259 G HA3 0.055 4.107 3.960 0.153 0.000 0.267 259 G C -0.062 174.996 174.900 0.262 0.000 1.009 259 G CA -0.347 44.859 45.100 0.177 0.000 0.866 259 G HN 0.128 nan 8.290 nan 0.000 0.488 260 F N 1.550 121.573 119.950 0.123 0.000 2.397 260 F HA 0.663 5.282 4.527 0.153 0.000 0.331 260 F C 0.569 176.450 175.800 0.135 0.000 1.090 260 F CA -1.120 56.981 58.000 0.168 0.000 1.065 260 F CB 0.829 39.915 39.000 0.144 0.000 1.184 260 F HN -0.028 nan 8.300 nan 0.000 0.499 261 L N 5.477 126.546 121.223 -0.256 0.000 2.827 261 L HA -0.107 4.325 4.340 0.153 0.000 0.637 261 L C -1.171 175.699 176.870 -0.001 0.000 1.007 261 L CA 0.148 54.919 54.840 -0.116 0.000 1.336 261 L CB -1.685 40.393 42.059 0.031 0.000 1.826 261 L HN 0.567 nan 8.230 nan 0.000 0.871 262 V N -0.427 119.490 119.914 0.005 0.000 3.102 262 V HA 0.611 4.822 4.120 0.153 0.000 0.312 262 V C 0.084 176.196 176.094 0.030 0.000 1.135 262 V CA -0.878 61.446 62.300 0.040 0.000 1.022 262 V CB 2.141 34.009 31.823 0.076 0.000 1.056 262 V HN 0.589 nan 8.190 nan 0.000 0.436 263 N N 1.080 119.793 118.700 0.021 0.000 2.475 263 N HA 0.259 5.091 4.740 0.153 0.000 0.267 263 N C 0.770 176.292 175.510 0.019 0.000 1.169 263 N CA 0.033 53.087 53.050 0.006 0.000 0.947 263 N CB 1.626 40.111 38.487 -0.003 0.000 1.061 263 N HN 0.591 nan 8.380 nan 0.000 0.466 264 V N 3.054 122.977 119.914 0.016 0.000 2.490 264 V HA -0.223 3.989 4.120 0.153 0.000 0.250 264 V C 1.803 177.895 176.094 -0.003 0.000 1.061 264 V CA 1.398 63.713 62.300 0.025 0.000 1.064 264 V CB -0.663 31.171 31.823 0.019 0.000 0.670 264 V HN 0.742 nan 8.190 nan 0.000 0.461 265 N N 0.286 118.975 118.700 -0.019 0.000 2.135 265 N HA -0.142 4.690 4.740 0.153 0.000 0.186 265 N C 1.875 177.374 175.510 -0.018 0.000 1.027 265 N CA 1.418 54.451 53.050 -0.028 0.000 0.849 265 N CB -0.174 38.291 38.487 -0.036 0.000 1.002 265 N HN 0.599 nan 8.380 nan 0.000 0.425 266 E N 0.370 120.565 120.200 -0.009 0.000 2.110 266 E HA 0.009 4.451 4.350 0.153 0.000 0.193 266 E C 0.774 177.375 176.600 0.002 0.000 0.988 266 E CA 0.869 57.267 56.400 -0.003 0.000 0.804 266 E CB 0.067 29.770 29.700 0.004 0.000 0.745 266 E HN 0.130 nan 8.360 nan 0.000 0.458 267 S N 0.196 115.902 115.700 0.009 0.000 2.583 267 S HA 0.128 4.690 4.470 0.153 0.000 0.239 267 S C 1.148 175.743 174.600 -0.010 0.000 0.966 267 S CA -0.367 57.839 58.200 0.010 0.000 0.973 267 S CB 0.286 63.509 63.200 0.037 0.000 0.794 267 S HN 0.184 nan 8.310 nan 0.000 0.463 268 R N 2.233 122.722 120.500 -0.018 0.000 2.133 268 R HA -0.240 4.192 4.340 0.153 0.000 0.245 268 R C 2.183 178.452 176.300 -0.051 0.000 1.137 268 R CA 2.009 58.088 56.100 -0.035 0.000 0.947 268 R CB -0.517 29.761 30.300 -0.036 0.000 0.865 268 R HN 0.433 nan 8.270 nan 0.000 0.437 269 A N -0.001 122.793 122.820 -0.043 0.000 1.877 269 A HA -0.099 4.313 4.320 0.153 0.000 0.216 269 A C 2.310 179.856 177.584 -0.063 0.000 1.186 269 A CA 1.738 53.745 52.037 -0.050 0.000 0.620 269 A CB -0.561 18.417 19.000 -0.036 0.000 0.822 269 A HN 0.254 nan 8.150 nan 0.000 0.443 270 V N 0.273 120.155 119.914 -0.053 0.000 2.407 270 V HA -0.255 3.957 4.120 0.153 0.000 0.248 270 V C 2.400 178.422 176.094 -0.120 0.000 1.055 270 V CA 1.851 64.114 62.300 -0.062 0.000 1.049 270 V CB -0.817 30.991 31.823 -0.026 0.000 0.662 270 V HN 0.542 nan 8.190 nan 0.000 0.455 271 I N 0.257 120.745 120.570 -0.136 0.000 2.179 271 I HA -0.252 4.010 4.170 0.153 0.000 0.242 271 I C 2.641 178.593 176.117 -0.276 0.000 1.088 271 I CA 1.981 63.125 61.300 -0.261 0.000 1.357 271 I CB -0.669 37.224 38.000 -0.180 0.000 1.051 271 I HN 0.313 nan 8.210 nan 0.000 0.409 272 T N -0.218 114.229 114.554 -0.179 0.000 2.665 272 T HA -0.244 4.198 4.350 0.153 0.000 0.268 272 T C 2.099 176.701 174.700 -0.164 0.000 1.035 272 T CA 2.009 64.013 62.100 -0.160 0.000 1.151 272 T CB -0.339 68.464 68.868 -0.109 0.000 0.862 272 T HN 0.374 nan 8.240 nan 0.000 0.438 273 S N 0.846 116.461 115.700 -0.141 0.000 2.370 273 S HA -0.113 4.449 4.470 0.153 0.000 0.226 273 S C 2.055 176.555 174.600 -0.167 0.000 1.033 273 S CA 1.239 59.363 58.200 -0.126 0.000 1.011 273 S CB -0.523 62.622 63.200 -0.092 0.000 0.852 273 S HN 0.350 nan 8.310 nan 0.000 0.457 274 L N 1.483 122.570 121.223 -0.227 0.000 2.042 274 L HA 0.080 4.512 4.340 0.153 0.000 0.210 274 L C 2.053 178.713 176.870 -0.351 0.000 1.076 274 L CA 1.767 56.416 54.840 -0.319 0.000 0.749 274 L CB -0.563 41.225 42.059 -0.452 0.000 0.893 274 L HN 0.423 nan 8.230 nan 0.000 0.432 275 L N -0.870 120.148 121.223 -0.341 0.000 2.465 275 L HA -0.087 4.345 4.340 0.153 0.000 0.224 275 L C 1.841 178.589 176.870 -0.204 0.000 1.145 275 L CA 0.464 55.127 54.840 -0.294 0.000 0.834 275 L CB -0.641 41.244 42.059 -0.291 0.000 0.944 275 L HN 0.300 nan 8.230 nan 0.000 0.451 276 D N -0.443 119.853 120.400 -0.173 0.000 2.216 276 D HA -0.151 4.581 4.640 0.153 0.000 0.208 276 D C 2.061 178.292 176.300 -0.115 0.000 0.960 276 D CA 0.755 54.678 54.000 -0.128 0.000 0.861 276 D CB 0.252 40.988 40.800 -0.108 0.000 0.985 276 D HN 0.351 nan 8.370 nan 0.000 0.493 277 Q N 0.677 120.399 119.800 -0.129 0.000 2.016 277 Q HA -0.102 4.330 4.340 0.153 0.000 0.200 277 Q C 2.408 178.356 176.000 -0.086 0.000 0.978 277 Q CA 0.888 56.627 55.803 -0.108 0.000 0.833 277 Q CB -0.104 28.567 28.738 -0.111 0.000 0.895 277 Q HN 0.187 nan 8.270 nan 0.000 0.427 278 I N 1.371 121.876 120.570 -0.109 0.000 2.143 278 I HA -0.309 3.953 4.170 0.153 0.000 0.245 278 I C -0.784 175.386 176.117 0.088 0.000 1.068 278 I CA 1.589 62.890 61.300 0.002 0.000 1.326 278 I CB -1.158 36.780 38.000 -0.103 0.000 1.028 278 I HN 0.318 nan 8.210 nan 0.000 0.412 279 P HA -0.118 nan 4.420 nan 0.000 0.216 279 P C 1.409 178.714 177.300 0.009 0.000 1.153 279 P CA 1.166 64.264 63.100 -0.004 0.000 0.844 279 P CB -0.005 31.661 31.700 -0.058 0.000 0.787 280 E N -0.560 119.622 120.200 -0.030 0.000 2.051 280 E HA -0.182 4.260 4.350 0.153 0.000 0.192 280 E C 1.985 178.537 176.600 -0.078 0.000 0.991 280 E CA 1.122 57.493 56.400 -0.049 0.000 0.799 280 E CB -1.003 28.659 29.700 -0.063 0.000 0.748 280 E HN 0.274 nan 8.360 nan 0.000 0.449 281 M N -0.528 118.996 119.600 -0.127 0.000 2.195 281 M HA -0.162 4.410 4.480 0.153 0.000 0.260 281 M C 0.857 176.830 176.300 -0.544 0.000 1.066 281 M CA 1.534 56.631 55.300 -0.339 0.000 1.089 281 M CB 0.021 32.359 32.600 -0.438 0.000 1.377 281 M HN -0.024 nan 8.290 nan 0.000 0.411 282 F N -1.037 118.881 119.950 -0.054 0.000 2.682 282 F HA 0.403 5.022 4.527 0.154 0.000 0.308 282 F C 1.964 177.753 175.800 -0.018 0.000 1.093 282 F CA 0.188 58.165 58.000 -0.039 0.000 1.244 282 F CB -0.605 38.366 39.000 -0.049 0.000 1.052 282 F HN 0.121 nan 8.300 nan 0.000 0.573 283 A N 0.328 123.196 122.820 0.081 0.000 1.915 283 A HA -0.252 4.160 4.320 0.153 0.000 0.220 283 A C 1.664 179.293 177.584 0.075 0.000 1.198 283 A CA 2.462 54.532 52.037 0.055 0.000 0.647 283 A CB -0.624 18.383 19.000 0.010 0.000 0.825 283 A HN 0.316 nan 8.150 nan 0.000 0.456 284 D N -0.800 119.635 120.400 0.058 0.000 2.358 284 D HA 0.097 4.829 4.640 0.153 0.000 0.224 284 D C 0.517 176.872 176.300 0.093 0.000 1.123 284 D CA 0.270 54.310 54.000 0.066 0.000 0.833 284 D CB -0.346 40.468 40.800 0.024 0.000 0.946 284 D HN 0.321 nan 8.370 nan 0.000 0.505 285 T N 0.429 115.071 114.554 0.147 0.000 2.903 285 T HA 0.021 4.463 4.350 0.153 0.000 0.314 285 T C 1.129 175.919 174.700 0.151 0.000 1.078 285 T CA 0.172 62.374 62.100 0.170 0.000 1.114 285 T CB 0.842 69.864 68.868 0.256 0.000 0.987 285 T HN -0.081 nan 8.240 nan 0.000 0.548 286 R N 1.483 122.030 120.500 0.078 0.000 2.531 286 R HA 0.173 4.605 4.340 0.153 0.000 0.316 286 R C -0.088 176.216 176.300 0.006 0.000 0.955 286 R CA -0.198 55.875 56.100 -0.045 0.000 1.120 286 R CB 0.442 30.688 30.300 -0.090 0.000 1.361 286 R HN 0.663 nan 8.270 nan 0.000 0.534 287 E N 0.802 121.056 120.200 0.089 0.000 2.415 287 E HA -0.026 4.416 4.350 0.153 0.000 0.263 287 E C 0.317 176.984 176.600 0.110 0.000 0.995 287 E CA 0.630 57.088 56.400 0.097 0.000 0.915 287 E CB 1.348 31.122 29.700 0.125 0.000 0.951 287 E HN -0.135 nan 8.360 nan 0.000 0.449 288 T N 2.406 117.013 114.554 0.088 0.000 2.954 288 T HA 0.008 4.450 4.350 0.153 0.000 0.252 288 T C -0.078 174.676 174.700 0.089 0.000 0.983 288 T CA 0.021 62.181 62.100 0.100 0.000 0.941 288 T CB 0.450 69.367 68.868 0.082 0.000 1.141 288 T HN 0.310 nan 8.240 nan 0.000 0.500 289 E N 2.422 122.675 120.200 0.089 0.000 2.227 289 E HA 0.459 4.901 4.350 0.153 0.000 0.282 289 E C -0.314 176.360 176.600 0.123 0.000 1.015 289 E CA -0.352 56.108 56.400 0.099 0.000 0.823 289 E CB 1.492 31.245 29.700 0.089 0.000 1.081 289 E HN 0.354 nan 8.360 nan 0.000 0.396 290 T N -1.646 113.003 114.554 0.159 0.000 2.901 290 T HA 0.619 5.061 4.350 0.153 0.000 0.293 290 T C 0.048 174.908 174.700 0.268 0.000 1.084 290 T CA -0.947 61.293 62.100 0.234 0.000 1.008 290 T CB 1.238 70.271 68.868 0.274 0.000 1.170 290 T HN 0.266 nan 8.240 nan 0.000 0.509 291 V N -0.741 119.340 119.914 0.278 0.000 3.193 291 V HA 0.848 5.060 4.120 0.153 0.000 0.320 291 V C 0.167 176.409 176.094 0.246 0.000 1.112 291 V CA -0.642 61.773 62.300 0.191 0.000 1.026 291 V CB 1.416 33.274 31.823 0.059 0.000 1.128 291 V HN 0.997 nan 8.190 nan 0.000 0.452 292 F N -0.404 119.512 119.950 -0.057 0.000 1.868 292 F HA 0.291 4.910 4.527 0.153 0.000 0.245 292 F C 1.715 177.396 175.800 -0.197 0.000 1.114 292 F CA 1.452 59.355 58.000 -0.161 0.000 1.261 292 F CB 0.070 38.981 39.000 -0.149 0.000 1.620 292 F HN 0.240 nan 8.300 nan 0.000 0.567 293 V N 2.695 122.563 119.914 -0.077 0.000 2.278 293 V HA -0.257 3.955 4.120 0.153 0.000 0.251 293 V C -0.892 175.040 176.094 -0.269 0.000 1.062 293 V CA 2.937 65.076 62.300 -0.269 0.000 1.038 293 V CB -1.673 29.978 31.823 -0.286 0.000 0.646 293 V HN 0.232 nan 8.190 nan 0.000 0.447 294 P HA -0.101 nan 4.420 nan 0.000 0.218 294 P C 1.802 178.977 177.300 -0.209 0.000 1.148 294 P CA 1.206 64.211 63.100 -0.159 0.000 0.822 294 P CB -0.067 31.570 31.700 -0.106 0.000 0.784 295 V N -0.309 119.394 119.914 -0.353 0.000 2.270 295 V HA -0.227 3.985 4.120 0.153 0.000 0.245 295 V C 2.337 178.253 176.094 -0.298 0.000 1.043 295 V CA 1.674 63.724 62.300 -0.418 0.000 1.014 295 V CB -1.134 30.243 31.823 -0.743 0.000 0.645 295 V HN 0.060 nan 8.190 nan 0.000 0.447 296 I N -0.390 119.949 120.570 -0.386 0.000 2.361 296 I HA -0.278 3.984 4.170 0.153 0.000 0.251 296 I C 2.716 178.730 176.117 -0.171 0.000 1.133 296 I CA 1.458 62.584 61.300 -0.291 0.000 1.413 296 I CB -0.379 37.396 38.000 -0.375 0.000 1.073 296 I HN 0.411 nan 8.210 nan 0.000 0.424 297 Q N 0.571 120.273 119.800 -0.163 0.000 2.050 297 Q HA -0.186 4.246 4.340 0.153 0.000 0.202 297 Q C 2.519 178.493 176.000 -0.043 0.000 0.980 297 Q CA 1.778 57.523 55.803 -0.098 0.000 0.840 297 Q CB -0.234 28.448 28.738 -0.093 0.000 0.898 297 Q HN 0.575 nan 8.270 nan 0.000 0.424 298 A N 0.941 123.755 122.820 -0.010 0.000 1.865 298 A HA -0.150 4.262 4.320 0.153 0.000 0.217 298 A C 2.303 179.960 177.584 0.123 0.000 1.191 298 A CA 1.801 53.903 52.037 0.109 0.000 0.623 298 A CB -1.395 17.783 19.000 0.296 0.000 0.826 298 A HN 0.498 nan 8.150 nan 0.000 0.444 299 G N -0.874 107.988 108.800 0.102 0.000 2.440 299 G HA2 -0.288 3.764 3.960 0.153 0.000 0.218 299 G HA3 -0.288 3.764 3.960 0.153 0.000 0.218 299 G C 1.612 176.567 174.900 0.091 0.000 1.154 299 G CA 1.363 46.548 45.100 0.141 0.000 0.767 299 G HN 0.434 nan 8.290 nan 0.000 0.552 300 M N 0.263 119.877 119.600 0.024 0.000 2.132 300 M HA -0.011 4.560 4.480 0.153 0.000 0.263 300 M C 2.323 178.631 176.300 0.013 0.000 1.065 300 M CA 1.880 57.185 55.300 0.009 0.000 1.122 300 M CB -0.346 32.237 32.600 -0.029 0.000 1.365 300 M HN 0.220 nan 8.290 nan 0.000 0.411 301 E N 0.483 120.682 120.200 -0.002 0.000 2.110 301 E HA -0.058 4.384 4.350 0.153 0.000 0.193 301 E C 1.913 178.500 176.600 -0.021 0.000 0.988 301 E CA 1.756 58.143 56.400 -0.021 0.000 0.804 301 E CB -0.304 29.369 29.700 -0.046 0.000 0.745 301 E HN 0.582 nan 8.360 nan 0.000 0.458 302 A N 0.239 123.059 122.820 -0.000 0.000 1.877 302 A HA -0.153 4.259 4.320 0.153 0.000 0.216 302 A C 2.239 179.880 177.584 0.095 0.000 1.186 302 A CA 1.356 53.406 52.037 0.023 0.000 0.620 302 A CB -0.718 18.359 19.000 0.129 0.000 0.822 302 A HN 0.300 nan 8.150 nan 0.000 0.443 303 L N -0.583 120.705 121.223 0.107 0.000 2.046 303 L HA -0.208 4.224 4.340 0.153 0.000 0.208 303 L C 2.653 179.556 176.870 0.057 0.000 1.077 303 L CA 1.936 56.833 54.840 0.095 0.000 0.747 303 L CB -0.485 41.627 42.059 0.089 0.000 0.896 303 L HN 0.498 nan 8.230 nan 0.000 0.432 304 K N 0.674 121.095 120.400 0.035 0.000 2.032 304 K HA -0.218 4.194 4.320 0.153 0.000 0.209 304 K C 2.148 178.758 176.600 0.016 0.000 1.048 304 K CA 1.538 57.836 56.287 0.019 0.000 0.927 304 K CB -0.135 32.367 32.500 0.005 0.000 0.712 304 K HN 0.254 nan 8.250 nan 0.000 0.441 305 A N 0.858 123.684 122.820 0.009 0.000 1.978 305 A HA -0.100 4.312 4.320 0.153 0.000 0.220 305 A C 2.173 179.770 177.584 0.022 0.000 1.170 305 A CA 1.898 53.937 52.037 0.003 0.000 0.636 305 A CB -0.620 18.364 19.000 -0.026 0.000 0.810 305 A HN 0.505 nan 8.150 nan 0.000 0.448 306 A N -1.237 121.609 122.820 0.043 0.000 2.238 306 A HA 0.274 4.686 4.320 0.153 0.000 0.208 306 A C 0.650 178.256 177.584 0.036 0.000 1.177 306 A CA 0.751 52.819 52.037 0.051 0.000 0.804 306 A CB -0.462 18.586 19.000 0.080 0.000 0.823 306 A HN 0.582 nan 8.150 nan 0.000 0.482 307 E N -1.284 118.934 120.200 0.030 0.000 2.360 307 E HA -0.226 4.216 4.350 0.153 0.000 0.238 307 E C -0.054 176.561 176.600 0.024 0.000 1.186 307 E CA 0.436 56.851 56.400 0.025 0.000 0.719 307 E CB -2.591 27.123 29.700 0.022 0.000 1.236 307 E HN 0.955 nan 8.360 nan 0.000 0.386 308 C N -3.104 116.211 119.300 0.025 0.000 3.171 308 C HA 0.904 5.456 4.460 0.153 0.000 0.308 308 C C 0.642 175.644 174.990 0.021 0.000 1.334 308 C CA -0.311 58.713 59.018 0.009 0.000 1.473 308 C CB 1.570 29.303 27.740 -0.011 0.000 1.866 308 C HN 0.424 nan 8.230 nan 0.000 0.465 309 A N 0.898 123.722 122.820 0.006 0.000 2.239 309 A HA 1.039 5.451 4.320 0.153 0.000 0.303 309 A C 0.552 178.174 177.584 0.064 0.000 1.114 309 A CA 0.315 52.391 52.037 0.064 0.000 0.871 309 A CB 0.385 19.459 19.000 0.123 0.000 1.201 309 A HN 2.804 nan 8.150 nan 0.000 0.506 310 G N -0.990 107.946 108.800 0.226 0.000 2.325 310 G HA2 0.492 4.544 3.960 0.153 0.000 0.295 310 G HA3 0.492 4.544 3.960 0.153 0.000 0.295 310 G C -1.703 173.401 174.900 0.340 0.000 1.274 310 G CA -0.793 44.512 45.100 0.341 0.000 0.857 310 G HN 0.711 nan 8.290 nan 0.000 0.499 311 K N -0.450 120.107 120.400 0.263 0.000 2.385 311 K HA 0.705 5.117 4.320 0.153 0.000 0.248 311 K C -1.109 175.357 176.600 -0.223 0.000 0.955 311 K CA -0.761 55.445 56.287 -0.134 0.000 0.816 311 K CB 2.717 34.882 32.500 -0.558 0.000 1.250 311 K HN 0.336 nan 8.250 nan 0.000 0.434 312 L N 2.477 123.490 121.223 -0.350 0.000 2.333 312 L HA 0.512 4.944 4.340 0.153 0.000 0.280 312 L C -1.071 175.562 176.870 -0.394 0.000 1.004 312 L CA -0.807 53.898 54.840 -0.225 0.000 0.820 312 L CB 0.747 42.729 42.059 -0.128 0.000 1.247 312 L HN 0.464 nan 8.230 nan 0.000 0.416 313 F N 3.902 123.733 119.950 -0.197 0.000 2.347 313 F HA 0.416 5.034 4.527 0.152 0.000 0.366 313 F C -0.106 175.643 175.800 -0.085 0.000 1.107 313 F CA -0.509 57.422 58.000 -0.115 0.000 1.058 313 F CB 1.172 40.146 39.000 -0.043 0.000 1.236 313 F HN 0.163 nan 8.300 nan 0.000 0.456 314 L N 3.966 125.179 121.223 -0.016 0.000 2.325 314 L HA 0.461 4.893 4.340 0.153 0.000 0.279 314 L C -0.811 175.991 176.870 -0.115 0.000 1.054 314 L CA -0.517 54.376 54.840 0.087 0.000 0.804 314 L CB 1.343 43.496 42.059 0.157 0.000 1.200 314 L HN 0.440 nan 8.230 nan 0.000 0.436 315 F N 1.485 121.753 119.950 0.529 0.000 2.532 315 F HA 0.329 4.948 4.527 0.153 0.000 0.365 315 F C 0.092 176.162 175.800 0.451 0.000 1.112 315 F CA -0.629 57.691 58.000 0.534 0.000 1.082 315 F CB 0.820 39.984 39.000 0.274 0.000 1.319 315 F HN 0.438 nan 8.300 nan 0.000 0.457 316 H N 0.198 119.590 119.070 0.538 0.000 2.569 316 H HA 0.489 5.137 4.556 0.153 0.000 0.357 316 H C 0.735 176.277 175.328 0.355 0.000 1.153 316 H CA -0.111 56.186 56.048 0.416 0.000 1.193 316 H CB 1.923 31.943 29.762 0.430 0.000 1.602 316 H HN 0.564 nan 8.280 nan 0.000 0.523 317 T N -0.714 113.809 114.554 -0.052 0.000 2.955 317 T HA 0.329 4.771 4.350 0.153 0.000 0.251 317 T C -0.158 174.565 174.700 0.039 0.000 1.002 317 T CA 0.042 62.175 62.100 0.056 0.000 0.970 317 T CB 0.261 69.106 68.868 -0.038 0.000 1.091 317 T HN 0.331 nan 8.240 nan 0.000 0.495 318 S N 0.447 116.131 115.700 -0.028 0.000 2.588 318 S HA 0.571 5.133 4.470 0.153 0.000 0.275 318 S C -1.009 173.688 174.600 0.160 0.000 1.130 318 S CA -0.935 57.303 58.200 0.062 0.000 0.855 318 S CB 1.681 64.901 63.200 0.033 0.000 1.116 318 S HN 0.449 nan 8.310 nan 0.000 0.472 319 L N 4.002 125.267 121.223 0.070 0.000 2.667 319 L HA 0.115 4.547 4.340 0.153 0.000 0.278 319 L C -1.999 174.945 176.870 0.123 0.000 1.217 319 L CA -0.903 53.954 54.840 0.029 0.000 0.935 319 L CB 0.565 42.629 42.059 0.009 0.000 1.193 319 L HN 0.376 nan 8.230 nan 0.000 0.493 320 P HA 0.011 nan 4.420 nan 0.000 0.268 320 P C 0.274 177.657 177.300 0.137 0.000 1.485 320 P CA -0.146 63.076 63.100 0.204 0.000 1.102 320 P CB 0.190 32.020 31.700 0.217 0.000 1.501 321 I N 0.010 120.655 120.570 0.125 0.000 3.914 321 I HA 0.350 4.612 4.170 0.153 0.000 0.333 321 I C 0.150 176.324 176.117 0.094 0.000 1.449 321 I CA -1.068 60.291 61.300 0.098 0.000 1.135 321 I CB -0.714 37.336 38.000 0.084 0.000 1.073 321 I HN -0.045 nan 8.210 nan 0.000 0.401 322 A N 1.510 124.395 122.820 0.109 0.000 2.388 322 A HA 0.317 4.729 4.320 0.153 0.000 0.257 322 A C 0.146 177.779 177.584 0.081 0.000 1.095 322 A CA -0.269 51.825 52.037 0.095 0.000 0.791 322 A CB 0.128 19.194 19.000 0.110 0.000 1.029 322 A HN 0.409 nan 8.150 nan 0.000 0.489 323 E N 0.693 120.932 120.200 0.066 0.000 2.406 323 E HA 0.423 4.865 4.350 0.153 0.000 0.258 323 E C 0.019 176.650 176.600 0.051 0.000 1.043 323 E CA 1.389 57.822 56.400 0.055 0.000 0.929 323 E CB -0.028 29.699 29.700 0.046 0.000 0.969 323 E HN 1.141 nan 8.360 nan 0.000 0.462 324 A N 4.615 127.464 122.820 0.048 0.000 2.481 324 A HA 0.425 4.837 4.320 0.153 0.000 0.295 324 A C -2.820 174.781 177.584 0.028 0.000 0.986 324 A CA -1.302 50.757 52.037 0.036 0.000 0.617 324 A CB 0.380 19.403 19.000 0.038 0.000 1.364 324 A HN 0.492 nan 8.150 nan 0.000 0.452 325 P HA 0.380 nan 4.420 nan 0.000 0.264 325 P C 1.039 178.325 177.300 -0.023 0.000 1.193 325 P CA 2.283 65.374 63.100 -0.016 0.000 0.763 325 P CB 0.601 32.275 31.700 -0.044 0.000 0.810 326 G N 1.889 110.688 108.800 -0.002 0.000 2.175 326 G HA2 -0.276 3.776 3.960 0.153 0.000 0.244 326 G HA3 -0.276 3.776 3.960 0.153 0.000 0.244 326 G C 0.341 175.347 174.900 0.178 0.000 0.982 326 G CA -0.009 45.118 45.100 0.045 0.000 0.641 326 G HN 0.702 nan 8.290 nan 0.000 0.527 327 K N 0.693 121.163 120.400 0.118 0.000 2.561 327 K HA 0.342 4.754 4.320 0.153 0.000 0.280 327 K C 0.445 177.118 176.600 0.120 0.000 0.975 327 K CA 0.320 56.676 56.287 0.115 0.000 1.024 327 K CB 0.010 32.560 32.500 0.084 0.000 0.883 327 K HN 0.380 nan 8.250 nan 0.000 0.496 328 L N 3.105 124.388 121.223 0.099 0.000 2.279 328 L HA 0.526 4.957 4.340 0.153 0.000 0.262 328 L C -0.184 176.727 176.870 0.069 0.000 1.019 328 L CA -1.244 53.639 54.840 0.071 0.000 0.823 328 L CB 1.959 44.029 42.059 0.020 0.000 1.358 328 L HN 0.625 nan 8.230 nan 0.000 0.432 329 K N 0.313 120.757 120.400 0.072 0.000 2.258 329 K HA 0.292 4.704 4.320 0.153 0.000 0.236 329 K C -0.435 176.245 176.600 0.133 0.000 1.008 329 K CA -0.864 55.471 56.287 0.079 0.000 0.869 329 K CB 1.146 33.678 32.500 0.054 0.000 1.171 329 K HN 0.360 nan 8.250 nan 0.000 0.447 330 N N 2.293 121.061 118.700 0.114 0.000 3.298 330 N HA 0.005 4.837 4.740 0.153 0.000 0.292 330 N C 0.241 175.731 175.510 -0.035 0.000 1.271 330 N CA -0.112 53.026 53.050 0.145 0.000 1.184 330 N CB 0.219 38.768 38.487 0.104 0.000 1.452 330 N HN 0.506 nan 8.380 nan 0.000 0.534 331 R N -0.425 120.051 120.500 -0.039 0.000 2.339 331 R HA 0.041 4.473 4.340 0.153 0.000 0.199 331 R C -0.270 175.819 176.300 -0.351 0.000 1.018 331 R CA -0.165 55.849 56.100 -0.144 0.000 1.036 331 R CB -0.179 30.091 30.300 -0.050 0.000 0.899 331 R HN 0.021 nan 8.270 nan 0.000 0.473 332 D N 2.258 122.203 120.400 -0.759 0.000 2.359 332 D HA -0.058 4.674 4.640 0.153 0.000 0.273 332 D C -1.108 174.966 176.300 -0.376 0.000 1.362 332 D CA 0.364 53.895 54.000 -0.783 0.000 1.010 332 D CB 0.287 40.385 40.800 -1.169 0.000 1.090 332 D HN 0.160 nan 8.370 nan 0.000 0.521 333 D N 2.971 123.216 120.400 -0.258 0.000 2.460 333 D HA 0.173 4.905 4.640 0.153 0.000 0.232 333 D C 0.778 177.002 176.300 -0.127 0.000 1.079 333 D CA -0.506 53.399 54.000 -0.158 0.000 0.864 333 D CB 0.544 41.274 40.800 -0.116 0.000 1.048 333 D HN 0.277 nan 8.370 nan 0.000 0.523 334 R N 2.393 122.827 120.500 -0.109 0.000 2.316 334 R HA -0.062 4.370 4.340 0.153 0.000 0.202 334 R C 1.271 177.539 176.300 -0.053 0.000 1.029 334 R CA 0.523 56.575 56.100 -0.080 0.000 1.018 334 R CB 0.352 30.611 30.300 -0.068 0.000 0.888 334 R HN 0.110 nan 8.270 nan 0.000 0.471 335 K N 0.314 120.684 120.400 -0.050 0.000 2.487 335 K HA -0.024 4.388 4.320 0.153 0.000 0.192 335 K C 1.217 177.800 176.600 -0.028 0.000 1.027 335 K CA 0.507 56.774 56.287 -0.033 0.000 1.054 335 K CB 0.148 32.629 32.500 -0.031 0.000 0.824 335 K HN 0.011 nan 8.250 nan 0.000 0.510 336 L N 0.405 121.606 121.223 -0.037 0.000 2.477 336 L HA 0.246 4.678 4.340 0.153 0.000 0.220 336 L C 1.287 178.150 176.870 -0.011 0.000 1.106 336 L CA 0.614 55.438 54.840 -0.027 0.000 0.851 336 L CB -0.108 41.926 42.059 -0.042 0.000 0.994 336 L HN 0.180 nan 8.230 nan 0.000 0.462 337 I N 0.213 120.774 120.570 -0.015 0.000 2.288 337 I HA -0.383 3.879 4.170 0.153 0.000 0.206 337 I C 0.865 176.994 176.117 0.020 0.000 0.973 337 I CA 1.405 62.708 61.300 0.006 0.000 1.310 337 I CB -0.439 37.560 38.000 -0.002 0.000 1.026 337 I HN 0.280 nan 8.210 nan 0.000 0.380 338 N N 2.000 120.708 118.700 0.013 0.000 2.938 338 N HA -0.012 4.820 4.740 0.153 0.000 0.286 338 N C -0.044 175.474 175.510 0.013 0.000 1.316 338 N CA 0.360 53.419 53.050 0.015 0.000 1.063 338 N CB -0.599 37.895 38.487 0.010 0.000 1.388 338 N HN 0.539 nan 8.380 nan 0.000 0.545 339 T N -3.863 110.701 114.554 0.016 0.000 2.804 339 T HA 0.243 4.685 4.350 0.153 0.000 0.290 339 T C 0.345 175.056 174.700 0.018 0.000 1.099 339 T CA -0.763 61.345 62.100 0.013 0.000 1.011 339 T CB 1.732 70.604 68.868 0.007 0.000 1.291 339 T HN -0.116 nan 8.240 nan 0.000 0.523 340 D N 0.143 120.551 120.400 0.015 0.000 2.378 340 D HA 0.065 4.797 4.640 0.153 0.000 0.227 340 D C 0.873 177.184 176.300 0.018 0.000 1.012 340 D CA 0.593 54.603 54.000 0.016 0.000 0.905 340 D CB 0.288 41.096 40.800 0.013 0.000 0.895 340 D HN 0.542 nan 8.370 nan 0.000 0.532 341 K N 0.252 120.663 120.400 0.018 0.000 2.438 341 K HA 0.065 4.477 4.320 0.153 0.000 0.205 341 K C 1.424 178.041 176.600 0.028 0.000 1.033 341 K CA -0.129 56.169 56.287 0.018 0.000 1.089 341 K CB 0.868 33.372 32.500 0.007 0.000 0.857 341 K HN -0.006 nan 8.250 nan 0.000 0.522 342 E N 2.743 122.970 120.200 0.045 0.000 2.153 342 E HA -0.232 4.210 4.350 0.153 0.000 0.194 342 E C 1.588 178.280 176.600 0.154 0.000 0.988 342 E CA 1.429 57.876 56.400 0.078 0.000 0.811 342 E CB 0.143 29.901 29.700 0.096 0.000 0.746 342 E HN 0.291 nan 8.360 nan 0.000 0.466 343 K N -0.289 120.194 120.400 0.138 0.000 2.211 343 K HA -0.120 4.292 4.320 0.153 0.000 0.204 343 K C 1.817 178.517 176.600 0.166 0.000 1.047 343 K CA 1.755 58.147 56.287 0.175 0.000 0.935 343 K CB -0.381 32.160 32.500 0.069 0.000 0.728 343 K HN -0.037 nan 8.250 nan 0.000 0.452 344 T N 1.867 116.469 114.554 0.081 0.000 2.929 344 T HA -0.016 4.426 4.350 0.153 0.000 0.271 344 T C 1.620 176.321 174.700 0.001 0.000 1.085 344 T CA 0.930 63.051 62.100 0.035 0.000 1.125 344 T CB -0.138 68.735 68.868 0.007 0.000 0.874 344 T HN 0.197 nan 8.240 nan 0.000 0.494 345 L N -0.610 120.589 121.223 -0.040 0.000 2.395 345 L HA 0.134 4.566 4.340 0.153 0.000 0.218 345 L C 1.407 178.076 176.870 -0.335 0.000 1.130 345 L CA 0.938 55.645 54.840 -0.222 0.000 0.826 345 L CB -0.285 41.544 42.059 -0.384 0.000 0.941 345 L HN 0.273 nan 8.230 nan 0.000 0.451 346 F N -0.905 119.023 119.950 -0.035 0.000 2.695 346 F HA 0.169 4.787 4.527 0.152 0.000 0.303 346 F C 1.113 176.878 175.800 -0.058 0.000 1.091 346 F CA -0.280 57.691 58.000 -0.050 0.000 1.300 346 F CB 0.144 39.107 39.000 -0.062 0.000 1.071 346 F HN 0.014 nan 8.300 nan 0.000 0.578 347 Q N 2.294 122.147 119.800 0.089 0.000 2.214 347 Q HA 0.282 4.714 4.340 0.153 0.000 0.251 347 Q C -2.315 173.666 176.000 -0.032 0.000 0.936 347 Q CA -2.270 53.551 55.803 0.029 0.000 0.894 347 Q CB 0.958 29.714 28.738 0.030 0.000 1.252 347 Q HN -0.109 nan 8.270 nan 0.000 0.448 348 P HA -0.038 nan 4.420 nan 0.000 0.271 348 P C -0.393 176.855 177.300 -0.086 0.000 1.218 348 P CA 0.198 63.215 63.100 -0.139 0.000 0.780 348 P CB 0.926 32.543 31.700 -0.138 0.000 0.901 349 Q N 0.322 120.051 119.800 -0.118 0.000 2.124 349 Q HA -0.034 4.398 4.340 0.153 0.000 0.202 349 Q C 0.358 176.374 176.000 0.028 0.000 0.977 349 Q CA 1.385 57.169 55.803 -0.033 0.000 0.850 349 Q CB -0.117 28.607 28.738 -0.024 0.000 0.901 349 Q HN 0.567 nan 8.270 nan 0.000 0.429 350 T N -2.062 112.539 114.554 0.079 0.000 2.916 350 T HA 0.408 4.850 4.350 0.153 0.000 0.292 350 T C 0.580 175.397 174.700 0.194 0.000 1.064 350 T CA -0.329 61.862 62.100 0.152 0.000 1.011 350 T CB 1.741 70.737 68.868 0.215 0.000 1.152 350 T HN 0.189 nan 8.240 nan 0.000 0.510 351 G N -0.236 108.650 108.800 0.142 0.000 2.985 351 G HA2 0.292 4.344 3.960 0.153 0.000 0.209 351 G HA3 0.292 4.344 3.960 0.153 0.000 0.209 351 G C 1.381 176.357 174.900 0.127 0.000 1.165 351 G CA 0.436 45.612 45.100 0.126 0.000 0.776 351 G HN 0.797 nan 8.290 nan 0.000 0.541 352 A N 0.261 123.158 122.820 0.128 0.000 2.015 352 A HA 0.057 4.469 4.320 0.153 0.000 0.219 352 A C 1.970 179.510 177.584 -0.074 0.000 1.163 352 A CA 0.944 52.975 52.037 -0.010 0.000 0.646 352 A CB -0.413 18.524 19.000 -0.104 0.000 0.806 352 A HN 0.390 nan 8.150 nan 0.000 0.448 353 Y N -0.581 119.741 120.300 0.036 0.000 2.153 353 Y HA -0.190 4.453 4.550 0.154 0.000 0.289 353 Y C 2.730 178.654 175.900 0.039 0.000 1.127 353 Y CA 1.614 59.740 58.100 0.044 0.000 1.131 353 Y CB -0.414 38.077 38.460 0.050 0.000 0.995 353 Y HN 0.328 nan 8.280 nan 0.000 0.505 354 Q N 0.316 120.240 119.800 0.208 0.000 2.084 354 Q HA -0.165 4.267 4.340 0.153 0.000 0.202 354 Q C 1.969 178.036 176.000 0.111 0.000 0.978 354 Q CA 2.169 58.068 55.803 0.159 0.000 0.844 354 Q CB -0.491 28.332 28.738 0.143 0.000 0.898 354 Q HN 0.441 nan 8.270 nan 0.000 0.426 355 T N 1.982 116.580 114.554 0.073 0.000 2.684 355 T HA -0.165 4.277 4.350 0.153 0.000 0.267 355 T C 1.809 176.499 174.700 -0.018 0.000 1.036 355 T CA 1.397 63.513 62.100 0.027 0.000 1.148 355 T CB -0.335 68.540 68.868 0.011 0.000 0.863 355 T HN 0.239 nan 8.240 nan 0.000 0.436 356 L N 1.238 122.438 121.223 -0.038 0.000 2.093 356 L HA 0.160 4.592 4.340 0.153 0.000 0.208 356 L C 2.527 179.361 176.870 -0.060 0.000 1.085 356 L CA 1.688 56.485 54.840 -0.073 0.000 0.755 356 L CB -1.020 40.962 42.059 -0.129 0.000 0.904 356 L HN 0.206 nan 8.230 nan 0.000 0.435 357 A N -0.444 122.367 122.820 -0.016 0.000 1.902 357 A HA -0.281 4.131 4.320 0.153 0.000 0.217 357 A C 2.460 179.967 177.584 -0.128 0.000 1.181 357 A CA 2.010 54.035 52.037 -0.020 0.000 0.623 357 A CB -0.635 18.407 19.000 0.069 0.000 0.818 357 A HN 0.501 nan 8.150 nan 0.000 0.443 358 K N -0.131 120.162 120.400 -0.178 0.000 2.063 358 K HA -0.207 4.205 4.320 0.153 0.000 0.208 358 K C 1.895 178.343 176.600 -0.254 0.000 1.048 358 K CA 1.771 57.821 56.287 -0.395 0.000 0.928 358 K CB -0.198 32.139 32.500 -0.272 0.000 0.713 358 K HN 0.655 nan 8.250 nan 0.000 0.442 359 E N -0.084 120.031 120.200 -0.143 0.000 2.110 359 E HA -0.208 4.234 4.350 0.153 0.000 0.193 359 E C 2.215 178.760 176.600 -0.093 0.000 0.988 359 E CA 1.331 57.670 56.400 -0.101 0.000 0.804 359 E CB -0.138 29.517 29.700 -0.074 0.000 0.745 359 E HN 0.401 nan 8.360 nan 0.000 0.458 360 C N 0.416 119.659 119.300 -0.095 0.000 2.432 360 C HA -0.096 4.456 4.460 0.153 0.000 0.277 360 C C 2.767 177.717 174.990 -0.067 0.000 1.249 360 C CA 0.371 59.347 59.018 -0.070 0.000 1.725 360 C CB -0.681 27.019 27.740 -0.066 0.000 2.028 360 C HN 0.263 nan 8.230 nan 0.000 0.477 361 V N 1.520 121.364 119.914 -0.117 0.000 2.407 361 V HA -0.216 3.996 4.120 0.153 0.000 0.248 361 V C 2.667 178.714 176.094 -0.078 0.000 1.055 361 V CA 2.161 64.397 62.300 -0.107 0.000 1.049 361 V CB -1.259 30.433 31.823 -0.219 0.000 0.662 361 V HN 0.611 nan 8.190 nan 0.000 0.455 362 A N -0.848 121.910 122.820 -0.103 0.000 2.067 362 A HA -0.167 4.245 4.320 0.153 0.000 0.219 362 A C 2.038 179.609 177.584 -0.021 0.000 1.158 362 A CA 1.250 53.250 52.037 -0.061 0.000 0.661 362 A CB -0.219 18.739 19.000 -0.070 0.000 0.801 362 A HN 0.556 nan 8.150 nan 0.000 0.452 363 Q N -1.525 118.265 119.800 -0.016 0.000 2.282 363 Q HA 0.221 4.653 4.340 0.153 0.000 0.206 363 Q C 0.935 176.960 176.000 0.041 0.000 0.878 363 Q CA 0.607 56.417 55.803 0.011 0.000 0.944 363 Q CB 0.242 28.982 28.738 0.004 0.000 1.100 363 Q HN 0.922 nan 8.270 nan 0.000 0.509 364 G N 1.610 110.439 108.800 0.048 0.000 2.221 364 G HA2 -0.285 3.767 3.960 0.153 0.000 0.265 364 G HA3 -0.285 3.767 3.960 0.153 0.000 0.265 364 G C 0.006 174.977 174.900 0.118 0.000 1.041 364 G CA 0.374 45.533 45.100 0.100 0.000 0.807 364 G HN 0.415 nan 8.290 nan 0.000 0.502 365 C N 1.232 120.568 119.300 0.060 0.000 2.251 365 C HA 0.723 5.275 4.460 0.153 0.000 0.323 365 C C 1.109 176.097 174.990 -0.003 0.000 1.241 365 C CA -0.530 58.513 59.018 0.043 0.000 1.601 365 C CB -0.508 27.238 27.740 0.011 0.000 2.251 365 C HN 0.860 nan 8.230 nan 0.000 0.488 366 C N 7.612 126.899 119.300 -0.021 0.000 2.319 366 C HA 0.809 5.361 4.460 0.153 0.000 0.335 366 C C 0.059 174.932 174.990 -0.195 0.000 1.274 366 C CA -0.286 58.672 59.018 -0.099 0.000 1.806 366 C CB 0.006 27.672 27.740 -0.123 0.000 2.329 366 C HN 0.937 nan 8.230 nan 0.000 0.524 367 V N 3.959 123.760 119.914 -0.189 0.000 2.495 367 V HA 0.660 4.872 4.120 0.153 0.000 0.298 367 V C -0.830 175.113 176.094 -0.252 0.000 1.031 367 V CA -0.250 61.907 62.300 -0.239 0.000 0.871 367 V CB 1.730 33.458 31.823 -0.159 0.000 0.988 367 V HN 0.802 nan 8.190 nan 0.000 0.432 368 D N 3.870 124.063 120.400 -0.345 0.000 2.256 368 D HA 0.686 5.418 4.640 0.153 0.000 0.246 368 D C -0.940 175.285 176.300 -0.124 0.000 1.042 368 D CA -0.005 53.845 54.000 -0.250 0.000 0.841 368 D CB 2.089 42.718 40.800 -0.285 0.000 1.223 368 D HN 0.714 nan 8.370 nan 0.000 0.470 369 L N 3.093 124.250 121.223 -0.111 0.000 2.356 369 L HA 0.545 4.977 4.340 0.153 0.000 0.277 369 L C -1.745 175.083 176.870 -0.070 0.000 0.996 369 L CA -0.490 54.347 54.840 -0.006 0.000 0.822 369 L CB 0.881 42.977 42.059 0.061 0.000 1.256 369 L HN 0.185 nan 8.230 nan 0.000 0.413 370 F N 6.001 125.972 119.950 0.034 0.000 2.402 370 F HA 0.552 5.170 4.527 0.153 0.000 0.355 370 F C -0.504 175.236 175.800 -0.100 0.000 1.123 370 F CA -0.627 57.390 58.000 0.029 0.000 1.021 370 F CB 1.481 40.567 39.000 0.143 0.000 1.160 370 F HN 0.203 nan 8.300 nan 0.000 0.451 371 L N 4.313 125.425 121.223 -0.185 0.000 2.334 371 L HA 0.502 4.934 4.340 0.153 0.000 0.276 371 L C -0.867 175.723 176.870 -0.468 0.000 1.014 371 L CA -1.065 53.680 54.840 -0.158 0.000 0.815 371 L CB 1.113 43.089 42.059 -0.138 0.000 1.268 371 L HN 0.390 nan 8.230 nan 0.000 0.428 372 F N 3.900 123.897 119.950 0.077 0.000 2.710 372 F HA 0.382 5.001 4.527 0.154 0.000 0.345 372 F C -2.241 173.584 175.800 0.043 0.000 1.362 372 F CA -1.649 56.381 58.000 0.050 0.000 1.175 372 F CB 0.692 39.595 39.000 -0.162 0.000 1.561 372 F HN 0.257 nan 8.300 nan 0.000 0.593 373 P HA 0.333 nan 4.420 nan 0.000 0.290 373 P C -0.440 176.916 177.300 0.092 0.000 1.275 373 P CA -0.321 62.832 63.100 0.088 0.000 0.841 373 P CB 2.206 33.912 31.700 0.009 0.000 1.042 374 N N 0.014 118.762 118.700 0.079 0.000 2.407 374 N HA 0.054 4.886 4.740 0.153 0.000 0.182 374 N C 0.491 176.041 175.510 0.066 0.000 1.079 374 N CA 0.068 53.163 53.050 0.075 0.000 0.882 374 N CB 0.659 39.189 38.487 0.072 0.000 1.106 374 N HN 0.495 nan 8.380 nan 0.000 0.461 375 Q N -0.764 119.074 119.800 0.064 0.000 2.857 375 Q HA 0.189 4.621 4.340 0.153 0.000 0.319 375 Q C -1.410 174.645 176.000 0.090 0.000 0.963 375 Q CA -0.881 54.971 55.803 0.082 0.000 0.770 375 Q CB 1.382 30.174 28.738 0.089 0.000 1.492 375 Q HN 0.096 nan 8.270 nan 0.000 0.493 376 Y N 0.604 120.896 120.300 -0.013 0.000 2.895 376 Y HA -0.039 4.603 4.550 0.153 0.000 0.334 376 Y C 0.133 176.015 175.900 -0.030 0.000 1.261 376 Y CA 0.924 59.002 58.100 -0.035 0.000 1.560 376 Y CB 0.320 38.753 38.460 -0.044 0.000 1.253 376 Y HN 0.332 nan 8.280 nan 0.000 0.582 377 V N 4.392 123.946 119.914 -0.600 0.000 3.382 377 V HA 0.067 4.279 4.120 0.153 0.000 0.296 377 V C -0.198 175.439 176.094 -0.762 0.000 1.529 377 V CA 0.548 62.550 62.300 -0.496 0.000 1.048 377 V CB -0.334 31.354 31.823 -0.225 0.000 0.878 377 V HN 0.925 nan 8.190 nan 0.000 0.442 378 D N 0.432 119.997 120.400 -1.392 0.000 2.828 378 D HA -0.156 4.576 4.640 0.153 0.000 0.241 378 D C 0.973 176.972 176.300 -0.502 0.000 1.142 378 D CA 0.761 54.174 54.000 -0.978 0.000 0.755 378 D CB -0.857 39.548 40.800 -0.659 0.000 1.014 378 D HN 0.148 nan 8.370 nan 0.000 0.420 379 V N 1.403 121.092 119.914 -0.376 0.000 2.282 379 V HA -0.331 3.881 4.120 0.153 0.000 0.249 379 V C 2.822 178.796 176.094 -0.200 0.000 1.057 379 V CA 2.784 64.936 62.300 -0.246 0.000 1.032 379 V CB -0.932 30.804 31.823 -0.146 0.000 0.645 379 V HN 0.669 nan 8.190 nan 0.000 0.447 380 A N -0.271 122.451 122.820 -0.163 0.000 1.896 380 A HA -0.339 4.073 4.320 0.153 0.000 0.220 380 A C 2.386 179.864 177.584 -0.177 0.000 1.206 380 A CA 3.089 55.056 52.037 -0.117 0.000 0.647 380 A CB -1.202 17.736 19.000 -0.103 0.000 0.828 380 A HN 0.541 nan 8.150 nan 0.000 0.455 381 T N 0.125 114.510 114.554 -0.282 0.000 2.812 381 T HA 0.025 4.467 4.350 0.153 0.000 0.264 381 T C 1.767 176.156 174.700 -0.518 0.000 1.042 381 T CA 1.268 63.100 62.100 -0.447 0.000 1.140 381 T CB -0.320 68.202 68.868 -0.576 0.000 0.870 381 T HN 0.362 nan 8.240 nan 0.000 0.445 382 L N 1.808 122.743 121.223 -0.481 0.000 2.275 382 L HA -0.032 4.400 4.340 0.153 0.000 0.215 382 L C 2.401 179.197 176.870 -0.124 0.000 1.119 382 L CA 1.077 55.626 54.840 -0.484 0.000 0.790 382 L CB -0.607 41.032 42.059 -0.699 0.000 0.919 382 L HN 0.352 nan 8.230 nan 0.000 0.443 383 S N -2.098 113.533 115.700 -0.115 0.000 2.605 383 S HA 0.059 4.621 4.470 0.153 0.000 0.217 383 S C 1.630 176.223 174.600 -0.012 0.000 0.958 383 S CA -0.253 57.925 58.200 -0.036 0.000 0.919 383 S CB 0.087 63.256 63.200 -0.051 0.000 0.780 383 S HN 0.084 nan 8.310 nan 0.000 0.507 384 V N 1.513 121.427 119.914 0.001 0.000 2.261 384 V HA -0.150 4.062 4.120 0.153 0.000 0.246 384 V C 2.555 178.697 176.094 0.080 0.000 1.047 384 V CA 1.852 64.172 62.300 0.035 0.000 1.015 384 V CB -0.683 31.172 31.823 0.055 0.000 0.642 384 V HN 0.505 nan 8.190 nan 0.000 0.446 385 V N 0.087 120.087 119.914 0.143 0.000 2.358 385 V HA -0.125 4.087 4.120 0.153 0.000 0.246 385 V C 0.062 176.174 176.094 0.031 0.000 1.047 385 V CA 2.295 64.652 62.300 0.095 0.000 1.035 385 V CB -1.790 30.092 31.823 0.098 0.000 0.658 385 V HN 0.503 nan 8.190 nan 0.000 0.452 386 P HA -0.217 nan 4.420 nan 0.000 0.215 386 P C 1.835 179.104 177.300 -0.052 0.000 1.157 386 P CA 1.677 64.754 63.100 -0.038 0.000 0.868 386 P CB -0.002 31.672 31.700 -0.044 0.000 0.788 387 Q N -0.236 119.536 119.800 -0.047 0.000 2.020 387 Q HA -0.142 4.290 4.340 0.153 0.000 0.202 387 Q C 1.983 177.947 176.000 -0.060 0.000 0.982 387 Q CA 1.480 57.238 55.803 -0.076 0.000 0.838 387 Q CB -0.778 27.907 28.738 -0.088 0.000 0.899 387 Q HN 0.157 nan 8.270 nan 0.000 0.423 388 L N 0.015 121.235 121.223 -0.004 0.000 2.456 388 L HA -0.090 4.342 4.340 0.153 0.000 0.224 388 L C 1.843 178.772 176.870 0.099 0.000 1.148 388 L CA 0.882 55.767 54.840 0.074 0.000 0.825 388 L CB -0.064 42.099 42.059 0.174 0.000 0.937 388 L HN 0.290 nan 8.230 nan 0.000 0.450 389 T N -1.307 113.266 114.554 0.032 0.000 3.069 389 T HA 0.195 4.637 4.350 0.153 0.000 0.252 389 T C 1.241 175.941 174.700 -0.000 0.000 1.053 389 T CA 0.738 62.845 62.100 0.012 0.000 0.964 389 T CB 0.283 69.135 68.868 -0.026 0.000 1.005 389 T HN 0.567 nan 8.240 nan 0.000 0.532 390 G N 0.789 109.585 108.800 -0.006 0.000 2.143 390 G HA2 -0.149 3.903 3.960 0.153 0.000 0.249 390 G HA3 -0.149 3.903 3.960 0.153 0.000 0.249 390 G C 0.448 175.305 174.900 -0.071 0.000 0.981 390 G CA -0.045 45.045 45.100 -0.016 0.000 0.665 390 G HN 0.831 nan 8.290 nan 0.000 0.528 391 G N -0.578 108.165 108.800 -0.096 0.000 2.563 391 G HA2 0.664 4.716 3.960 0.153 0.000 0.283 391 G HA3 0.664 4.716 3.960 0.153 0.000 0.283 391 G C 0.155 174.964 174.900 -0.152 0.000 1.309 391 G CA 0.585 45.601 45.100 -0.139 0.000 1.022 391 G HN 0.956 nan 8.290 nan 0.000 0.501 392 S N -2.007 113.583 115.700 -0.183 0.000 2.607 392 S HA 0.693 5.255 4.470 0.153 0.000 0.303 392 S C -0.779 173.631 174.600 -0.316 0.000 1.086 392 S CA -0.577 57.460 58.200 -0.273 0.000 0.995 392 S CB 2.076 65.096 63.200 -0.301 0.000 1.084 392 S HN 0.501 nan 8.310 nan 0.000 0.507 393 V N 1.956 121.615 119.914 -0.425 0.000 2.638 393 V HA 0.489 4.701 4.120 0.153 0.000 0.306 393 V C -1.736 174.136 176.094 -0.371 0.000 1.052 393 V CA -0.662 61.467 62.300 -0.285 0.000 0.885 393 V CB 1.160 32.930 31.823 -0.088 0.000 0.999 393 V HN 0.886 nan 8.190 nan 0.000 0.424 394 Y N 2.581 122.726 120.300 -0.259 0.000 2.446 394 Y HA 0.701 5.342 4.550 0.152 0.000 0.345 394 Y C 0.050 175.653 175.900 -0.494 0.000 0.984 394 Y CA -0.738 57.203 58.100 -0.264 0.000 1.058 394 Y CB 2.199 40.493 38.460 -0.276 0.000 1.220 394 Y HN 0.498 nan 8.280 nan 0.000 0.455 395 K N 2.309 122.291 120.400 -0.696 0.000 2.443 395 K HA 0.514 4.926 4.320 0.153 0.000 0.252 395 K C -2.185 173.892 176.600 -0.872 0.000 0.933 395 K CA -0.778 55.007 56.287 -0.837 0.000 0.792 395 K CB 1.092 32.879 32.500 -1.188 0.000 1.185 395 K HN 0.698 nan 8.250 nan 0.000 0.425 396 Y N 2.129 122.296 120.300 -0.221 0.000 2.705 396 Y HA 0.363 5.005 4.550 0.153 0.000 0.355 396 Y C 0.074 176.015 175.900 0.069 0.000 1.039 396 Y CA -0.921 57.184 58.100 0.008 0.000 1.233 396 Y CB 1.472 40.021 38.460 0.148 0.000 1.103 396 Y HN 0.625 nan 8.280 nan 0.000 0.624 397 A N 1.051 123.930 122.820 0.099 0.000 2.546 397 A HA 0.340 4.752 4.320 0.153 0.000 0.243 397 A C 1.111 178.789 177.584 0.156 0.000 1.063 397 A CA 0.609 52.704 52.037 0.096 0.000 0.757 397 A CB -0.226 18.801 19.000 0.045 0.000 0.991 397 A HN 0.932 nan 8.150 nan 0.000 0.503 398 S N 0.259 116.052 115.700 0.155 0.000 3.641 398 S HA -0.203 4.359 4.470 0.153 0.000 0.346 398 S C 0.039 174.739 174.600 0.167 0.000 1.074 398 S CA 0.909 59.191 58.200 0.136 0.000 1.026 398 S CB -2.151 61.100 63.200 0.084 0.000 0.908 398 S HN 1.363 nan 8.310 nan 0.000 0.479 399 F N 2.150 122.176 119.950 0.126 0.000 2.623 399 F HA 0.197 4.816 4.527 0.153 0.000 0.381 399 F C 0.614 176.443 175.800 0.048 0.000 1.081 399 F CA 1.008 59.089 58.000 0.135 0.000 1.293 399 F CB 0.369 39.505 39.000 0.227 0.000 1.006 399 F HN 0.382 nan 8.300 nan 0.000 0.578 400 Q N 4.433 123.656 119.800 -0.961 0.000 2.295 400 Q HA 0.245 4.677 4.340 0.153 0.000 0.268 400 Q C 0.343 175.774 176.000 -0.949 0.000 1.010 400 Q CA -0.795 54.551 55.803 -0.762 0.000 0.856 400 Q CB 2.201 30.759 28.738 -0.301 0.000 1.349 400 Q HN 0.581 nan 8.270 nan 0.000 0.412 401 V N 1.980 121.462 119.914 -0.720 0.000 2.324 401 V HA -0.322 3.890 4.120 0.153 0.000 0.250 401 V C 1.334 177.280 176.094 -0.245 0.000 1.060 401 V CA 2.344 64.411 62.300 -0.389 0.000 1.042 401 V CB -0.278 31.457 31.823 -0.146 0.000 0.650 401 V HN 0.738 nan 8.190 nan 0.000 0.450 402 E N 0.614 120.691 120.200 -0.205 0.000 2.160 402 E HA -0.153 4.289 4.350 0.153 0.000 0.195 402 E C 1.860 178.393 176.600 -0.112 0.000 0.991 402 E CA 1.428 57.752 56.400 -0.127 0.000 0.810 402 E CB -0.261 29.379 29.700 -0.100 0.000 0.742 402 E HN 0.655 nan 8.360 nan 0.000 0.466 403 N N -0.239 118.369 118.700 -0.153 0.000 2.407 403 N HA 0.006 4.838 4.740 0.153 0.000 0.182 403 N C 0.112 175.579 175.510 -0.071 0.000 1.079 403 N CA 0.542 53.538 53.050 -0.090 0.000 0.882 403 N CB 0.609 39.055 38.487 -0.069 0.000 1.106 403 N HN 0.104 nan 8.380 nan 0.000 0.461 404 D N 0.219 120.525 120.400 -0.157 0.000 2.503 404 D HA 0.018 4.750 4.640 0.153 0.000 0.218 404 D C 1.415 177.751 176.300 0.060 0.000 1.183 404 D CA -0.060 53.928 54.000 -0.019 0.000 0.827 404 D CB 0.833 41.675 40.800 0.070 0.000 1.034 404 D HN 0.219 nan 8.370 nan 0.000 0.510 405 Q N 1.209 121.004 119.800 -0.009 0.000 2.014 405 Q HA -0.213 4.219 4.340 0.153 0.000 0.207 405 Q C 1.506 177.501 176.000 -0.008 0.000 0.993 405 Q CA 1.495 57.336 55.803 0.063 0.000 0.850 405 Q CB 0.318 29.053 28.738 -0.005 0.000 0.916 405 Q HN 0.053 nan 8.270 nan 0.000 0.417 406 E N 0.385 120.526 120.200 -0.098 0.000 2.021 406 E HA -0.260 4.182 4.350 0.153 0.000 0.200 406 E C 2.006 178.332 176.600 -0.457 0.000 1.015 406 E CA 1.641 57.901 56.400 -0.233 0.000 0.824 406 E CB -0.515 29.061 29.700 -0.207 0.000 0.762 406 E HN 0.382 nan 8.360 nan 0.000 0.454 407 R N 0.075 120.233 120.500 -0.569 0.000 2.096 407 R HA -0.198 4.234 4.340 0.153 0.000 0.240 407 R C 2.403 178.698 176.300 -0.008 0.000 1.139 407 R CA 1.847 57.596 56.100 -0.585 0.000 0.952 407 R CB -0.574 29.704 30.300 -0.036 0.000 0.854 407 R HN 0.188 nan 8.270 nan 0.000 0.436 408 F N 1.069 120.987 119.950 -0.054 0.000 2.146 408 F HA -0.060 4.558 4.527 0.152 0.000 0.298 408 F C 1.688 177.445 175.800 -0.071 0.000 1.096 408 F CA 1.323 59.245 58.000 -0.129 0.000 1.275 408 F CB -0.386 38.395 39.000 -0.365 0.000 1.008 408 F HN 0.015 nan 8.300 nan 0.000 0.480 409 L N -0.715 120.221 121.223 -0.478 0.000 2.083 409 L HA -0.201 4.231 4.340 0.153 0.000 0.209 409 L C 2.758 179.427 176.870 -0.335 0.000 1.083 409 L CA 1.492 55.996 54.840 -0.560 0.000 0.752 409 L CB -1.110 40.748 42.059 -0.335 0.000 0.899 409 L HN 0.254 nan 8.230 nan 0.000 0.433 410 S N -0.123 115.451 115.700 -0.209 0.000 2.353 410 S HA -0.210 4.352 4.470 0.153 0.000 0.222 410 S C 1.620 176.237 174.600 0.027 0.000 1.035 410 S CA 1.706 59.869 58.200 -0.062 0.000 1.025 410 S CB -0.157 63.044 63.200 0.002 0.000 0.902 410 S HN 0.399 nan 8.310 nan 0.000 0.440 411 D N 0.987 121.442 120.400 0.092 0.000 2.097 411 D HA -0.091 4.641 4.640 0.153 0.000 0.195 411 D C 1.961 178.304 176.300 0.071 0.000 0.989 411 D CA 1.066 55.172 54.000 0.177 0.000 0.827 411 D CB -0.667 40.325 40.800 0.319 0.000 0.966 411 D HN 0.359 nan 8.370 nan 0.000 0.456 412 L N 1.274 122.448 121.223 -0.082 0.000 1.989 412 L HA -0.165 4.267 4.340 0.153 0.000 0.211 412 L C 2.263 179.094 176.870 -0.065 0.000 1.071 412 L CA 1.740 56.484 54.840 -0.160 0.000 0.749 412 L CB -0.341 41.336 42.059 -0.636 0.000 0.890 412 L HN -0.133 nan 8.230 nan 0.000 0.431 413 R N -0.867 119.557 120.500 -0.127 0.000 2.083 413 R HA -0.197 4.235 4.340 0.153 0.000 0.237 413 R C 2.518 178.831 176.300 0.021 0.000 1.137 413 R CA 1.889 57.942 56.100 -0.079 0.000 0.951 413 R CB -0.489 29.732 30.300 -0.131 0.000 0.851 413 R HN 0.394 nan 8.270 nan 0.000 0.434 414 R N 0.688 121.224 120.500 0.060 0.000 2.075 414 R HA -0.160 4.272 4.340 0.153 0.000 0.232 414 R C 1.680 178.091 176.300 0.185 0.000 1.126 414 R CA 2.027 58.197 56.100 0.117 0.000 0.963 414 R CB -0.230 30.154 30.300 0.139 0.000 0.858 414 R HN 0.109 nan 8.270 nan 0.000 0.435 415 D N -0.583 119.961 120.400 0.240 0.000 2.117 415 D HA -0.121 4.611 4.640 0.153 0.000 0.197 415 D C 1.713 178.238 176.300 0.375 0.000 0.987 415 D CA 1.145 55.356 54.000 0.352 0.000 0.829 415 D CB 0.212 41.307 40.800 0.492 0.000 0.961 415 D HN 0.095 nan 8.370 nan 0.000 0.460 416 V N -0.010 120.076 119.914 0.286 0.000 2.719 416 V HA -0.110 4.102 4.120 0.153 0.000 0.252 416 V C 2.117 178.425 176.094 0.357 0.000 1.065 416 V CA 1.305 63.771 62.300 0.277 0.000 1.086 416 V CB -0.340 31.563 31.823 0.133 0.000 0.700 416 V HN 0.243 nan 8.190 nan 0.000 0.467 417 Q N -0.373 119.579 119.800 0.254 0.000 2.398 417 Q HA 0.054 4.486 4.340 0.153 0.000 0.204 417 Q C 0.608 176.744 176.000 0.226 0.000 0.932 417 Q CA 0.029 55.972 55.803 0.235 0.000 0.916 417 Q CB 0.163 28.994 28.738 0.155 0.000 1.024 417 Q HN 0.556 nan 8.270 nan 0.000 0.504 418 K N 0.984 121.520 120.400 0.227 0.000 2.591 418 K HA -0.039 4.373 4.320 0.153 0.000 0.280 418 K C -0.245 176.464 176.600 0.182 0.000 0.964 418 K CA -0.059 56.338 56.287 0.185 0.000 1.014 418 K CB 0.520 33.127 32.500 0.178 0.000 0.877 418 K HN -0.049 nan 8.250 nan 0.000 0.502 419 V N 4.221 124.212 119.914 0.129 0.000 2.555 419 V HA 0.331 4.543 4.120 0.153 0.000 0.286 419 V C -0.438 175.699 176.094 0.071 0.000 1.044 419 V CA -0.279 62.091 62.300 0.116 0.000 1.026 419 V CB 0.671 32.545 31.823 0.086 0.000 0.981 419 V HN 0.498 nan 8.190 nan 0.000 0.480 420 V N 3.937 123.889 119.914 0.064 0.000 3.007 420 V HA 1.016 5.228 4.120 0.153 0.000 0.311 420 V C 0.160 176.150 176.094 -0.175 0.000 1.120 420 V CA -0.100 62.132 62.300 -0.113 0.000 0.980 420 V CB 1.290 32.976 31.823 -0.228 0.000 1.033 420 V HN 1.133 nan 8.190 nan 0.000 0.429 421 G N 0.923 109.534 108.800 -0.315 0.000 2.454 421 G HA2 0.820 4.872 3.960 0.153 0.000 0.329 421 G HA3 0.820 4.872 3.960 0.153 0.000 0.329 421 G C -1.621 173.122 174.900 -0.261 0.000 1.177 421 G CA -0.738 44.279 45.100 -0.138 0.000 0.951 421 G HN 0.634 nan 8.290 nan 0.000 0.485 422 F N -0.983 119.090 119.950 0.204 0.000 2.599 422 F HA 0.361 4.981 4.527 0.154 0.000 0.311 422 F C 0.241 176.134 175.800 0.155 0.000 1.076 422 F CA -0.596 57.499 58.000 0.158 0.000 0.937 422 F CB 2.337 41.433 39.000 0.159 0.000 1.282 422 F HN 0.565 nan 8.300 nan 0.000 0.460 423 D N 1.443 122.023 120.400 0.301 0.000 2.740 423 D HA -0.161 4.571 4.640 0.153 0.000 0.231 423 D C -0.711 175.703 176.300 0.189 0.000 1.194 423 D CA 0.822 54.944 54.000 0.203 0.000 0.673 423 D CB -0.565 40.349 40.800 0.190 0.000 0.995 423 D HN 0.817 nan 8.370 nan 0.000 0.411 424 A N -0.257 122.666 122.820 0.171 0.000 2.299 424 A HA 0.836 5.248 4.320 0.153 0.000 0.332 424 A C -0.040 177.614 177.584 0.117 0.000 1.131 424 A CA -0.035 52.104 52.037 0.171 0.000 0.844 424 A CB 2.014 21.123 19.000 0.182 0.000 1.251 424 A HN 0.988 nan 8.150 nan 0.000 0.486 425 V N -1.252 118.729 119.914 0.112 0.000 2.808 425 V HA 0.776 4.988 4.120 0.153 0.000 0.308 425 V C -0.683 175.446 176.094 0.059 0.000 1.099 425 V CA -0.637 61.704 62.300 0.068 0.000 0.920 425 V CB 1.402 33.265 31.823 0.067 0.000 1.014 425 V HN 1.101 nan 8.190 nan 0.000 0.425 426 M N 4.789 124.395 119.600 0.010 0.000 2.383 426 M HA 0.745 5.317 4.480 0.153 0.000 0.325 426 M C -0.970 175.328 176.300 -0.002 0.000 1.092 426 M CA -0.535 54.776 55.300 0.019 0.000 0.961 426 M CB 2.073 34.683 32.600 0.017 0.000 1.672 426 M HN 0.914 nan 8.290 nan 0.000 0.438 427 R N 2.881 123.414 120.500 0.055 0.000 2.686 427 R HA 0.718 5.150 4.340 0.153 0.000 0.283 427 R C -1.646 174.729 176.300 0.125 0.000 0.978 427 R CA -0.995 55.148 56.100 0.072 0.000 0.897 427 R CB 2.536 32.885 30.300 0.081 0.000 1.192 427 R HN 0.493 nan 8.270 nan 0.000 0.457 428 V N 3.331 123.352 119.914 0.178 0.000 2.378 428 V HA 0.429 4.641 4.120 0.153 0.000 0.288 428 V C -0.029 176.169 176.094 0.173 0.000 1.016 428 V CA -0.747 61.680 62.300 0.212 0.000 0.840 428 V CB 1.446 33.472 31.823 0.340 0.000 0.994 428 V HN 0.611 nan 8.190 nan 0.000 0.431 429 R N 2.470 123.005 120.500 0.059 0.000 2.540 429 R HA 0.805 5.237 4.340 0.153 0.000 0.287 429 R C 0.001 176.288 176.300 -0.022 0.000 0.980 429 R CA -0.427 55.653 56.100 -0.034 0.000 0.966 429 R CB 2.056 32.220 30.300 -0.226 0.000 1.106 429 R HN 0.856 nan 8.270 nan 0.000 0.480 430 T N -2.246 112.336 114.554 0.047 0.000 2.865 430 T HA 0.369 4.811 4.350 0.153 0.000 0.294 430 T C -0.184 174.662 174.700 0.244 0.000 1.119 430 T CA -1.078 61.088 62.100 0.111 0.000 1.007 430 T CB 1.507 70.340 68.868 -0.059 0.000 1.225 430 T HN 0.514 nan 8.240 nan 0.000 0.515 431 S N 0.959 116.794 115.700 0.225 0.000 2.572 431 S HA 0.323 4.885 4.470 0.153 0.000 0.279 431 S C 0.386 175.032 174.600 0.076 0.000 1.341 431 S CA -0.725 57.572 58.200 0.163 0.000 1.043 431 S CB -0.202 63.009 63.200 0.018 0.000 0.887 431 S HN 0.838 nan 8.310 nan 0.000 0.516 432 T N 2.619 117.221 114.554 0.079 0.000 2.891 432 T HA 0.405 4.847 4.350 0.153 0.000 0.296 432 T C 1.512 176.224 174.700 0.021 0.000 1.025 432 T CA 1.084 63.214 62.100 0.050 0.000 1.149 432 T CB -0.099 68.797 68.868 0.046 0.000 1.007 432 T HN 1.317 nan 8.240 nan 0.000 0.528 433 G N 2.443 111.252 108.800 0.015 0.000 2.545 433 G HA2 -0.097 3.955 3.960 0.153 0.000 0.195 433 G HA3 -0.097 3.955 3.960 0.153 0.000 0.195 433 G C 0.011 174.875 174.900 -0.061 0.000 1.009 433 G CA -0.120 44.984 45.100 0.007 0.000 0.703 433 G HN 0.997 nan 8.290 nan 0.000 0.479 434 I N -1.608 118.914 120.570 -0.081 0.000 2.994 434 I HA 0.965 5.227 4.170 0.153 0.000 0.306 434 I C -0.820 175.307 176.117 0.017 0.000 1.195 434 I CA -1.703 59.532 61.300 -0.109 0.000 1.001 434 I CB 2.285 40.137 38.000 -0.247 0.000 1.244 434 I HN 0.429 nan 8.210 nan 0.000 0.437 435 R N 3.085 123.650 120.500 0.109 0.000 2.680 435 R HA 0.822 5.254 4.340 0.153 0.000 0.269 435 R C -1.502 174.960 176.300 0.270 0.000 1.026 435 R CA -0.748 55.466 56.100 0.190 0.000 0.889 435 R CB 1.603 31.973 30.300 0.116 0.000 1.241 435 R HN 0.922 nan 8.270 nan 0.000 0.463 436 A N 1.583 124.561 122.820 0.264 0.000 2.492 436 A HA 0.384 4.796 4.320 0.153 0.000 0.254 436 A C 0.358 177.844 177.584 -0.163 0.000 1.091 436 A CA -0.412 51.533 52.037 -0.153 0.000 0.768 436 A CB 0.616 19.525 19.000 -0.153 0.000 1.028 436 A HN 0.553 nan 8.150 nan 0.000 0.498 437 V N 1.849 121.577 119.914 -0.310 0.000 3.562 437 V HA 0.179 4.391 4.120 0.153 0.000 0.270 437 V C 0.014 176.005 176.094 -0.172 0.000 1.418 437 V CA 0.851 63.069 62.300 -0.136 0.000 1.033 437 V CB 0.306 32.102 31.823 -0.044 0.000 0.820 437 V HN 0.899 nan 8.190 nan 0.000 0.441 438 D N -1.114 119.023 120.400 -0.439 0.000 2.753 438 D HA 0.529 5.261 4.640 0.153 0.000 0.224 438 D C -1.660 174.224 176.300 -0.693 0.000 1.213 438 D CA -0.218 53.579 54.000 -0.338 0.000 0.833 438 D CB 2.288 43.054 40.800 -0.057 0.000 1.607 438 D HN -0.011 nan 8.370 nan 0.000 0.463 439 F N 1.396 121.156 119.950 -0.318 0.000 2.569 439 F HA 0.607 5.226 4.527 0.153 0.000 0.312 439 F C -0.613 175.083 175.800 -0.174 0.000 1.109 439 F CA -0.805 57.110 58.000 -0.141 0.000 0.919 439 F CB 1.564 40.417 39.000 -0.244 0.000 1.211 439 F HN 0.075 nan 8.300 nan 0.000 0.446 440 F N 0.929 121.187 119.950 0.512 0.000 2.565 440 F HA 0.882 5.502 4.527 0.155 0.000 0.313 440 F C 0.389 176.427 175.800 0.397 0.000 1.091 440 F CA -1.081 57.123 58.000 0.339 0.000 0.915 440 F CB 2.100 41.183 39.000 0.138 0.000 1.208 440 F HN 0.727 nan 8.300 nan 0.000 0.453 441 G N 0.531 109.400 108.800 0.115 0.000 2.340 441 G HA2 0.472 4.524 3.960 0.153 0.000 0.282 441 G HA3 0.472 4.524 3.960 0.153 0.000 0.282 441 G C -2.041 172.542 174.900 -0.528 0.000 1.312 441 G CA -0.424 44.663 45.100 -0.022 0.000 0.942 441 G HN 0.963 nan 8.290 nan 0.000 0.495 442 A N 0.320 122.994 122.820 -0.244 0.000 2.478 442 A HA 0.872 5.284 4.320 0.153 0.000 0.327 442 A C -0.249 177.255 177.584 -0.132 0.000 1.431 442 A CA 0.419 52.301 52.037 -0.259 0.000 1.014 442 A CB -1.024 17.907 19.000 -0.115 0.000 1.143 442 A HN 2.127 nan 8.150 nan 0.000 0.532 443 F N -0.348 119.614 119.950 0.020 0.000 3.250 443 F HA 0.673 5.291 4.527 0.153 0.000 0.326 443 F C -1.519 174.324 175.800 0.071 0.000 1.154 443 F CA -2.052 55.971 58.000 0.038 0.000 0.870 443 F CB 0.698 39.706 39.000 0.014 0.000 1.476 443 F HN 0.279 nan 8.300 nan 0.000 0.491 444 Y N 1.489 122.026 120.300 0.396 0.000 2.442 444 Y HA 0.802 5.444 4.550 0.153 0.000 0.344 444 Y C -1.327 174.665 175.900 0.154 0.000 0.976 444 Y CA -1.239 56.995 58.100 0.223 0.000 1.040 444 Y CB 2.126 40.641 38.460 0.091 0.000 1.228 444 Y HN 0.695 nan 8.280 nan 0.000 0.451 445 M N 4.429 123.868 119.600 -0.269 0.000 2.267 445 M HA 0.288 4.860 4.480 0.153 0.000 0.289 445 M C -0.130 176.034 176.300 -0.226 0.000 1.043 445 M CA -0.399 54.792 55.300 -0.183 0.000 0.928 445 M CB 2.398 34.854 32.600 -0.240 0.000 1.613 445 M HN 0.711 nan 8.290 nan 0.000 0.450 446 S N 1.190 116.889 115.700 -0.001 0.000 2.452 446 S HA 0.090 4.652 4.470 0.153 0.000 0.225 446 S C 0.647 175.239 174.600 -0.013 0.000 1.057 446 S CA 0.213 58.449 58.200 0.059 0.000 0.949 446 S CB 0.002 63.284 63.200 0.136 0.000 0.836 446 S HN 0.847 nan 8.310 nan 0.000 0.518 447 N N 0.885 119.564 118.700 -0.036 0.000 2.725 447 N HA 0.156 4.988 4.740 0.153 0.000 0.312 447 N C 0.352 175.814 175.510 -0.080 0.000 1.295 447 N CA 0.148 53.173 53.050 -0.042 0.000 0.914 447 N CB 0.520 38.989 38.487 -0.029 0.000 1.177 447 N HN 0.132 nan 8.380 nan 0.000 0.601 448 T N -4.702 109.824 114.554 -0.046 0.000 3.129 448 T HA 0.046 4.488 4.350 0.153 0.000 0.251 448 T C 1.311 175.992 174.700 -0.030 0.000 1.117 448 T CA 0.974 63.064 62.100 -0.017 0.000 1.034 448 T CB -0.616 68.277 68.868 0.042 0.000 0.968 448 T HN 0.752 nan 8.240 nan 0.000 0.526 449 T N -2.491 111.998 114.554 -0.109 0.000 3.010 449 T HA 0.204 4.646 4.350 0.153 0.000 0.252 449 T C -0.108 174.440 174.700 -0.252 0.000 0.963 449 T CA -0.301 61.734 62.100 -0.108 0.000 0.952 449 T CB 0.021 68.886 68.868 -0.005 0.000 1.182 449 T HN 0.149 nan 8.240 nan 0.000 0.495 450 D N 2.594 122.857 120.400 -0.228 0.000 2.316 450 D HA 0.418 5.150 4.640 0.153 0.000 0.245 450 D C -0.595 175.507 176.300 -0.330 0.000 1.171 450 D CA -0.232 53.644 54.000 -0.207 0.000 0.856 450 D CB 1.803 42.550 40.800 -0.087 0.000 1.090 450 D HN 0.137 nan 8.370 nan 0.000 0.476 451 V N 3.796 123.484 119.914 -0.375 0.000 2.322 451 V HA 0.048 4.260 4.120 0.153 0.000 0.258 451 V C 0.660 176.649 176.094 -0.175 0.000 1.074 451 V CA -0.480 61.536 62.300 -0.473 0.000 0.909 451 V CB -0.033 31.460 31.823 -0.549 0.000 1.090 451 V HN 0.319 nan 8.190 nan 0.000 0.486 452 E N 5.370 125.538 120.200 -0.053 0.000 2.259 452 E HA 0.432 4.874 4.350 0.153 0.000 0.281 452 E C -0.907 175.769 176.600 0.128 0.000 1.037 452 E CA -0.299 56.142 56.400 0.069 0.000 0.854 452 E CB 1.201 30.980 29.700 0.132 0.000 1.051 452 E HN 0.513 nan 8.360 nan 0.000 0.409 453 L N 2.867 124.150 121.223 0.100 0.000 2.401 453 L HA 0.288 4.720 4.340 0.153 0.000 0.263 453 L C 0.995 177.913 176.870 0.080 0.000 1.004 453 L CA -0.280 54.621 54.840 0.103 0.000 0.881 453 L CB 1.377 43.485 42.059 0.082 0.000 1.219 453 L HN 0.677 nan 8.230 nan 0.000 0.441 454 A N 2.551 125.412 122.820 0.069 0.000 1.892 454 A HA 0.102 4.514 4.320 0.153 0.000 0.218 454 A C 1.124 178.739 177.584 0.053 0.000 1.188 454 A CA 1.776 53.848 52.037 0.058 0.000 0.631 454 A CB -0.398 18.618 19.000 0.026 0.000 0.822 454 A HN 0.689 nan 8.150 nan 0.000 0.447 455 G N -2.601 106.194 108.800 -0.009 0.000 2.642 455 G HA2 0.581 4.633 3.960 0.153 0.000 0.293 455 G HA3 0.581 4.633 3.960 0.153 0.000 0.293 455 G C -1.585 173.253 174.900 -0.103 0.000 1.341 455 G CA -0.266 44.771 45.100 -0.106 0.000 0.916 455 G HN 0.808 nan 8.290 nan 0.000 0.474 456 L N 0.351 121.470 121.223 -0.174 0.000 2.612 456 L HA 0.703 5.135 4.340 0.153 0.000 0.256 456 L C -1.703 175.076 176.870 -0.152 0.000 0.949 456 L CA -0.584 54.181 54.840 -0.125 0.000 0.867 456 L CB 2.459 44.456 42.059 -0.103 0.000 1.417 456 L HN 0.921 nan 8.230 nan 0.000 0.414 457 D N 1.117 121.463 120.400 -0.090 0.000 2.652 457 D HA 0.557 5.289 4.640 0.153 0.000 0.285 457 D C 0.423 176.708 176.300 -0.024 0.000 1.173 457 D CA -0.121 53.845 54.000 -0.058 0.000 0.981 457 D CB 1.167 41.953 40.800 -0.023 0.000 1.440 457 D HN 0.621 nan 8.370 nan 0.000 0.485 458 G N -1.204 107.599 108.800 0.005 0.000 3.124 458 G HA2 0.053 4.105 3.960 0.153 0.000 0.212 458 G HA3 0.053 4.105 3.960 0.153 0.000 0.212 458 G C -0.040 174.874 174.900 0.023 0.000 1.181 458 G CA 0.031 45.147 45.100 0.027 0.000 0.803 458 G HN 0.407 nan 8.290 nan 0.000 0.529 459 D N -0.245 120.162 120.400 0.011 0.000 2.454 459 D HA 0.094 4.826 4.640 0.153 0.000 0.219 459 D C 0.848 177.142 176.300 -0.011 0.000 1.081 459 D CA 0.227 54.227 54.000 -0.000 0.000 0.867 459 D CB 0.707 41.505 40.800 -0.004 0.000 1.054 459 D HN 0.202 nan 8.370 nan 0.000 0.500 460 K N 0.642 121.039 120.400 -0.006 0.000 2.205 460 K HA 0.376 4.788 4.320 0.153 0.000 0.279 460 K C -0.001 176.622 176.600 0.038 0.000 1.027 460 K CA 0.011 56.299 56.287 0.001 0.000 0.932 460 K CB 1.722 34.219 32.500 -0.005 0.000 1.032 460 K HN -0.189 nan 8.250 nan 0.000 0.466 461 T N 1.227 115.813 114.554 0.054 0.000 2.887 461 T HA 0.468 4.910 4.350 0.153 0.000 0.288 461 T C -1.262 173.533 174.700 0.159 0.000 1.021 461 T CA -0.710 61.446 62.100 0.093 0.000 1.000 461 T CB 1.113 70.024 68.868 0.072 0.000 1.034 461 T HN 0.175 nan 8.240 nan 0.000 0.467 462 V N 4.151 124.183 119.914 0.196 0.000 2.409 462 V HA 0.484 4.696 4.120 0.153 0.000 0.291 462 V C 0.158 176.409 176.094 0.261 0.000 1.020 462 V CA -0.720 61.756 62.300 0.294 0.000 0.848 462 V CB 1.857 33.819 31.823 0.233 0.000 0.990 462 V HN 1.034 nan 8.190 nan 0.000 0.430 463 T N 4.612 119.367 114.554 0.335 0.000 2.795 463 T HA 0.639 5.081 4.350 0.153 0.000 0.282 463 T C -0.312 174.551 174.700 0.272 0.000 0.980 463 T CA -0.362 61.905 62.100 0.278 0.000 1.012 463 T CB 1.556 70.582 68.868 0.263 0.000 0.936 463 T HN 0.374 nan 8.240 nan 0.000 0.457 464 V N 2.935 122.867 119.914 0.030 0.000 2.604 464 V HA 0.488 4.700 4.120 0.153 0.000 0.305 464 V C -0.009 175.738 176.094 -0.578 0.000 1.043 464 V CA -0.933 61.135 62.300 -0.387 0.000 0.888 464 V CB 1.943 33.425 31.823 -0.568 0.000 0.995 464 V HN 0.846 nan 8.190 nan 0.000 0.429 465 E N 2.730 122.552 120.200 -0.630 0.000 2.179 465 E HA 0.634 5.076 4.350 0.153 0.000 0.275 465 E C -1.803 174.347 176.600 -0.751 0.000 0.945 465 E CA -0.485 55.614 56.400 -0.502 0.000 0.792 465 E CB 1.450 31.107 29.700 -0.072 0.000 1.125 465 E HN 0.523 nan 8.360 nan 0.000 0.397 466 F N 2.191 122.052 119.950 -0.147 0.000 2.538 466 F HA 0.532 5.150 4.527 0.152 0.000 0.325 466 F C 0.278 176.015 175.800 -0.105 0.000 1.066 466 F CA -0.839 57.082 58.000 -0.130 0.000 0.946 466 F CB 1.728 40.644 39.000 -0.140 0.000 1.199 466 F HN 0.149 nan 8.300 nan 0.000 0.473 467 K N 0.062 120.523 120.400 0.101 0.000 2.477 467 K HA 0.391 4.803 4.320 0.153 0.000 0.255 467 K C -1.480 175.148 176.600 0.046 0.000 0.952 467 K CA -1.200 55.134 56.287 0.077 0.000 0.826 467 K CB 1.928 34.474 32.500 0.076 0.000 1.331 467 K HN 0.577 nan 8.250 nan 0.000 0.437 468 H N 0.875 119.967 119.070 0.038 0.000 2.928 468 H HA -0.044 4.604 4.556 0.153 0.000 0.338 468 H C 0.283 175.630 175.328 0.032 0.000 1.047 468 H CA 0.900 56.965 56.048 0.028 0.000 1.435 468 H CB 0.609 30.378 29.762 0.011 0.000 1.428 468 H HN 0.567 nan 8.280 nan 0.000 0.590 469 D N 0.201 120.670 120.400 0.115 0.000 2.470 469 D HA 0.019 4.751 4.640 0.153 0.000 0.238 469 D C 0.312 176.661 176.300 0.083 0.000 1.054 469 D CA 0.598 54.647 54.000 0.081 0.000 0.896 469 D CB 1.012 41.844 40.800 0.053 0.000 1.118 469 D HN 0.602 nan 8.370 nan 0.000 0.497 470 D N -1.126 119.334 120.400 0.100 0.000 3.703 470 D HA 0.178 4.910 4.640 0.153 0.000 0.315 470 D C -1.009 175.361 176.300 0.118 0.000 1.464 470 D CA -0.433 53.617 54.000 0.083 0.000 0.982 470 D CB 1.251 42.084 40.800 0.053 0.000 1.391 470 D HN -0.171 nan 8.370 nan 0.000 0.625 471 R N 0.932 121.479 120.500 0.078 0.000 2.532 471 R HA 0.615 5.047 4.340 0.153 0.000 0.295 471 R C -0.785 175.551 176.300 0.060 0.000 0.968 471 R CA -0.484 55.661 56.100 0.075 0.000 0.916 471 R CB 0.846 31.167 30.300 0.037 0.000 1.124 471 R HN 0.319 nan 8.270 nan 0.000 0.463 472 L N 2.814 124.077 121.223 0.068 0.000 2.334 472 L HA 0.453 4.885 4.340 0.153 0.000 0.272 472 L C -0.169 176.709 176.870 0.014 0.000 1.020 472 L CA -1.200 53.658 54.840 0.030 0.000 0.812 472 L CB 1.698 43.774 42.059 0.028 0.000 1.264 472 L HN 0.614 nan 8.230 nan 0.000 0.439 473 N N 0.971 119.668 118.700 -0.006 0.000 2.421 473 N HA 0.080 4.912 4.740 0.153 0.000 0.285 473 N C 0.422 175.921 175.510 -0.018 0.000 1.027 473 N CA -0.318 52.726 53.050 -0.011 0.000 0.918 473 N CB 2.168 40.645 38.487 -0.016 0.000 1.152 473 N HN 0.648 nan 8.380 nan 0.000 0.485 474 E N 1.483 121.675 120.200 -0.013 0.000 2.333 474 E HA -0.152 4.290 4.350 0.153 0.000 0.198 474 E C 0.515 177.101 176.600 -0.023 0.000 1.007 474 E CA 1.221 57.611 56.400 -0.016 0.000 0.845 474 E CB 0.333 30.027 29.700 -0.009 0.000 0.766 474 E HN 0.562 nan 8.360 nan 0.000 0.507 475 E N -0.823 119.362 120.200 -0.024 0.000 2.276 475 E HA 0.010 4.452 4.350 0.153 0.000 0.193 475 E C 1.768 178.342 176.600 -0.043 0.000 0.983 475 E CA 0.527 56.911 56.400 -0.028 0.000 0.861 475 E CB 0.413 30.102 29.700 -0.020 0.000 0.817 475 E HN 0.101 nan 8.360 nan 0.000 0.485 476 S N -0.197 115.472 115.700 -0.051 0.000 2.458 476 S HA 0.172 4.734 4.470 0.153 0.000 0.223 476 S C 0.890 175.423 174.600 -0.112 0.000 1.019 476 S CA 0.434 58.589 58.200 -0.076 0.000 0.937 476 S CB 0.475 63.635 63.200 -0.066 0.000 0.788 476 S HN 0.467 nan 8.310 nan 0.000 0.511 477 G N 1.127 109.873 108.800 -0.091 0.000 2.741 477 G HA2 0.136 4.188 3.960 0.153 0.000 0.222 477 G HA3 0.136 4.188 3.960 0.153 0.000 0.222 477 G C -0.461 174.367 174.900 -0.120 0.000 1.364 477 G CA -0.609 44.426 45.100 -0.108 0.000 0.866 477 G HN 1.008 nan 8.290 nan 0.000 0.555 478 A N -0.339 122.400 122.820 -0.134 0.000 2.310 478 A HA 0.758 5.170 4.320 0.153 0.000 0.304 478 A C 0.043 177.532 177.584 -0.157 0.000 1.231 478 A CA -0.431 51.522 52.037 -0.140 0.000 0.799 478 A CB 0.626 19.536 19.000 -0.150 0.000 1.162 478 A HN 1.191 nan 8.150 nan 0.000 0.486 479 L N 2.656 123.803 121.223 -0.126 0.000 2.334 479 L HA 0.656 5.088 4.340 0.153 0.000 0.275 479 L C -0.573 176.397 176.870 0.166 0.000 1.036 479 L CA -0.594 54.214 54.840 -0.054 0.000 0.807 479 L CB 1.379 43.313 42.059 -0.208 0.000 1.231 479 L HN 0.538 nan 8.230 nan 0.000 0.438 480 L N 2.574 123.944 121.223 0.246 0.000 2.386 480 L HA 0.548 4.980 4.340 0.153 0.000 0.271 480 L C -0.676 176.406 176.870 0.353 0.000 0.993 480 L CA -0.455 54.506 54.840 0.202 0.000 0.819 480 L CB 2.148 44.222 42.059 0.025 0.000 1.294 480 L HN 0.621 nan 8.230 nan 0.000 0.414 481 Q N 2.492 122.414 119.800 0.203 0.000 2.337 481 Q HA 0.307 4.739 4.340 0.153 0.000 0.260 481 Q C -1.549 174.511 176.000 0.099 0.000 0.982 481 Q CA -0.422 55.469 55.803 0.146 0.000 0.734 481 Q CB 2.338 31.039 28.738 -0.062 0.000 1.272 481 Q HN 0.782 nan 8.270 nan 0.000 0.461 482 C N 3.375 122.756 119.300 0.136 0.000 2.347 482 C HA 0.907 5.459 4.460 0.153 0.000 0.353 482 C C -0.140 174.878 174.990 0.045 0.000 1.273 482 C CA -0.076 59.019 59.018 0.128 0.000 1.861 482 C CB -0.264 27.586 27.740 0.184 0.000 2.420 482 C HN 0.814 nan 8.230 nan 0.000 0.542 483 A N 6.371 129.219 122.820 0.047 0.000 2.319 483 A HA 0.692 5.104 4.320 0.153 0.000 0.310 483 A C -1.075 176.512 177.584 0.004 0.000 1.152 483 A CA -0.488 51.530 52.037 -0.032 0.000 0.783 483 A CB 0.870 19.911 19.000 0.069 0.000 1.184 483 A HN 1.033 nan 8.150 nan 0.000 0.474 484 L N 3.314 124.518 121.223 -0.032 0.000 2.305 484 L HA 0.703 5.135 4.340 0.153 0.000 0.284 484 L C -1.127 175.813 176.870 0.117 0.000 1.013 484 L CA -0.665 54.210 54.840 0.059 0.000 0.819 484 L CB 1.477 43.572 42.059 0.059 0.000 1.227 484 L HN 0.637 nan 8.230 nan 0.000 0.417 485 L N 7.309 128.620 121.223 0.146 0.000 2.287 485 L HA 0.649 5.081 4.340 0.153 0.000 0.287 485 L C -1.153 175.862 176.870 0.242 0.000 1.022 485 L CA -0.163 54.759 54.840 0.137 0.000 0.814 485 L CB 0.818 42.967 42.059 0.151 0.000 1.217 485 L HN 0.669 nan 8.230 nan 0.000 0.420 486 Y N 0.938 121.273 120.300 0.057 0.000 2.670 486 Y HA 0.781 5.423 4.550 0.154 0.000 0.334 486 Y C -1.089 174.884 175.900 0.122 0.000 1.185 486 Y CA -1.063 57.094 58.100 0.094 0.000 1.053 486 Y CB 1.151 39.660 38.460 0.082 0.000 1.298 486 Y HN 0.394 nan 8.280 nan 0.000 0.459 487 T N 2.534 117.274 114.554 0.311 0.000 2.779 487 T HA 0.491 4.933 4.350 0.153 0.000 0.280 487 T C -0.149 174.831 174.700 0.468 0.000 0.987 487 T CA -0.579 61.649 62.100 0.214 0.000 0.966 487 T CB 0.994 69.983 68.868 0.202 0.000 0.933 487 T HN 0.872 nan 8.240 nan 0.000 0.442 488 S N 0.958 116.837 115.700 0.298 0.000 2.661 488 S HA 0.122 4.684 4.470 0.153 0.000 0.265 488 S C 2.090 176.892 174.600 0.337 0.000 1.225 488 S CA -0.376 58.086 58.200 0.437 0.000 0.986 488 S CB 0.004 63.375 63.200 0.284 0.000 1.008 488 S HN 0.995 nan 8.310 nan 0.000 0.565 489 C N -1.053 118.470 119.300 0.373 0.000 2.449 489 C HA 0.410 4.962 4.460 0.153 0.000 0.283 489 C C 2.082 177.090 174.990 0.031 0.000 1.453 489 C CA 0.122 59.290 59.018 0.249 0.000 1.779 489 C CB -2.181 25.730 27.740 0.285 0.000 1.779 489 C HN 0.884 nan 8.230 nan 0.000 0.546 490 A N -0.310 122.530 122.820 0.033 0.000 2.390 490 A HA 0.562 4.974 4.320 0.153 0.000 0.232 490 A C 1.820 179.377 177.584 -0.046 0.000 1.233 490 A CA 1.006 53.032 52.037 -0.018 0.000 0.907 490 A CB -0.647 18.351 19.000 -0.004 0.000 0.967 490 A HN 1.700 nan 8.150 nan 0.000 0.512 491 G N -0.758 108.014 108.800 -0.046 0.000 2.131 491 G HA2 -0.236 3.816 3.960 0.153 0.000 0.223 491 G HA3 -0.236 3.816 3.960 0.153 0.000 0.223 491 G C 0.043 174.920 174.900 -0.039 0.000 0.990 491 G CA 0.304 45.373 45.100 -0.052 0.000 0.671 491 G HN 0.760 nan 8.290 nan 0.000 0.521 492 Q N -0.274 119.501 119.800 -0.042 0.000 2.257 492 Q HA 0.636 5.068 4.340 0.153 0.000 0.255 492 Q C 0.286 176.233 176.000 -0.089 0.000 0.920 492 Q CA -0.981 54.768 55.803 -0.089 0.000 0.927 492 Q CB 0.654 29.333 28.738 -0.099 0.000 1.229 492 Q HN 0.228 nan 8.270 nan 0.000 0.433 493 R N 2.958 123.422 120.500 -0.060 0.000 2.234 493 R HA 0.328 4.760 4.340 0.153 0.000 0.324 493 R C -0.994 175.207 176.300 -0.165 0.000 1.054 493 R CA 0.268 56.337 56.100 -0.052 0.000 0.912 493 R CB 0.527 30.916 30.300 0.147 0.000 1.030 493 R HN 0.644 nan 8.270 nan 0.000 0.455 494 R N 3.352 123.619 120.500 -0.390 0.000 2.799 494 R HA 0.526 4.958 4.340 0.153 0.000 0.270 494 R C -1.033 175.025 176.300 -0.404 0.000 1.010 494 R CA -1.063 54.798 56.100 -0.399 0.000 0.916 494 R CB 1.676 31.697 30.300 -0.465 0.000 1.228 494 R HN 0.353 nan 8.270 nan 0.000 0.469 495 L N 1.128 122.217 121.223 -0.224 0.000 2.346 495 L HA 0.592 5.024 4.340 0.153 0.000 0.276 495 L C -0.300 176.494 176.870 -0.126 0.000 1.006 495 L CA -0.647 54.095 54.840 -0.163 0.000 0.817 495 L CB 1.920 43.840 42.059 -0.232 0.000 1.272 495 L HN 0.402 nan 8.230 nan 0.000 0.421 496 R N 2.841 123.272 120.500 -0.116 0.000 2.437 496 R HA 0.705 5.137 4.340 0.153 0.000 0.310 496 R C -1.526 174.476 176.300 -0.496 0.000 0.955 496 R CA -0.628 55.301 56.100 -0.284 0.000 0.851 496 R CB 1.236 31.415 30.300 -0.201 0.000 1.161 496 R HN 0.481 nan 8.270 nan 0.000 0.446 497 I N 3.905 124.030 120.570 -0.742 0.000 2.404 497 I HA 0.335 4.597 4.170 0.153 0.000 0.293 497 I C -0.454 175.152 176.117 -0.851 0.000 0.992 497 I CA -0.516 60.338 61.300 -0.743 0.000 1.149 497 I CB 1.661 39.190 38.000 -0.785 0.000 1.315 497 I HN 0.507 nan 8.210 nan 0.000 0.446 498 H N 5.276 124.172 119.070 -0.290 0.000 2.727 498 H HA 0.462 5.111 4.556 0.154 0.000 0.330 498 H C -0.941 174.390 175.328 0.005 0.000 0.986 498 H CA -0.672 55.275 56.048 -0.170 0.000 1.251 498 H CB 1.479 31.172 29.762 -0.114 0.000 1.493 498 H HN 0.485 nan 8.280 nan 0.000 0.515 499 N N 3.039 121.851 118.700 0.187 0.000 2.400 499 N HA 0.241 5.073 4.740 0.153 0.000 0.288 499 N C -0.837 174.944 175.510 0.451 0.000 1.024 499 N CA -0.684 52.562 53.050 0.326 0.000 0.894 499 N CB 2.787 41.331 38.487 0.096 0.000 1.173 499 N HN 0.294 nan 8.380 nan 0.000 0.487 500 L N 1.823 123.337 121.223 0.485 0.000 2.406 500 L HA 0.623 5.055 4.340 0.153 0.000 0.272 500 L C -1.020 175.993 176.870 0.238 0.000 0.980 500 L CA -0.729 54.331 54.840 0.366 0.000 0.831 500 L CB 1.509 43.713 42.059 0.241 0.000 1.253 500 L HN 0.588 nan 8.230 nan 0.000 0.406 501 A N 6.354 129.239 122.820 0.108 0.000 2.260 501 A HA 0.774 5.186 4.320 0.153 0.000 0.314 501 A C -0.907 176.638 177.584 -0.064 0.000 1.257 501 A CA -0.481 51.423 52.037 -0.221 0.000 0.871 501 A CB 0.325 18.964 19.000 -0.602 0.000 1.166 501 A HN 0.742 nan 8.150 nan 0.000 0.522 502 L N 1.930 123.100 121.223 -0.087 0.000 2.304 502 L HA 0.474 4.906 4.340 0.153 0.000 0.268 502 L C 0.166 177.006 176.870 -0.049 0.000 1.010 502 L CA -1.229 53.595 54.840 -0.026 0.000 0.813 502 L CB 1.207 43.223 42.059 -0.073 0.000 1.315 502 L HN 0.625 nan 8.230 nan 0.000 0.445 503 N N -0.723 117.973 118.700 -0.006 0.000 2.463 503 N HA 0.374 5.206 4.740 0.153 0.000 0.270 503 N C -1.140 174.353 175.510 -0.028 0.000 1.205 503 N CA -0.284 52.755 53.050 -0.018 0.000 0.974 503 N CB 1.550 40.043 38.487 0.010 0.000 1.197 503 N HN 0.449 nan 8.380 nan 0.000 0.504 504 C N 0.868 120.152 119.300 -0.026 0.000 2.455 504 C HA 0.672 5.224 4.460 0.153 0.000 0.320 504 C C 0.214 175.200 174.990 -0.008 0.000 1.226 504 C CA -0.868 58.139 59.018 -0.018 0.000 1.569 504 C CB -0.334 27.394 27.740 -0.021 0.000 2.200 504 C HN 0.821 nan 8.230 nan 0.000 0.491 505 C N 1.551 120.849 119.300 -0.003 0.000 2.898 505 C HA 0.846 5.398 4.460 0.153 0.000 0.304 505 C C 0.953 175.940 174.990 -0.006 0.000 1.237 505 C CA -0.208 58.808 59.018 -0.004 0.000 1.529 505 C CB 0.887 28.624 27.740 -0.005 0.000 2.021 505 C HN 0.944 nan 8.230 nan 0.000 0.474 506 T N -2.225 112.327 114.554 -0.004 0.000 2.985 506 T HA 0.183 4.625 4.350 0.153 0.000 0.254 506 T C 0.213 174.911 174.700 -0.003 0.000 1.021 506 T CA 0.320 62.416 62.100 -0.007 0.000 0.957 506 T CB -0.057 68.808 68.868 -0.005 0.000 1.047 506 T HN 0.730 nan 8.240 nan 0.000 0.511 507 Q N 1.135 120.939 119.800 0.006 0.000 2.314 507 Q HA 0.497 4.929 4.340 0.153 0.000 0.259 507 Q C 1.030 177.048 176.000 0.030 0.000 0.951 507 Q CA -0.406 55.409 55.803 0.020 0.000 0.909 507 Q CB 1.934 30.689 28.738 0.027 0.000 1.236 507 Q HN 0.300 nan 8.270 nan 0.000 0.444 508 L N 1.314 122.567 121.223 0.049 0.000 2.129 508 L HA -0.280 4.152 4.340 0.153 0.000 0.212 508 L C 1.910 178.891 176.870 0.185 0.000 1.087 508 L CA 1.611 56.496 54.840 0.076 0.000 0.757 508 L CB -0.311 41.850 42.059 0.170 0.000 0.896 508 L HN 0.736 nan 8.230 nan 0.000 0.434 509 A N -0.517 122.424 122.820 0.202 0.000 2.019 509 A HA -0.215 4.197 4.320 0.153 0.000 0.219 509 A C 1.869 179.559 177.584 0.178 0.000 1.164 509 A CA 1.837 54.024 52.037 0.249 0.000 0.644 509 A CB -0.371 18.715 19.000 0.145 0.000 0.805 509 A HN 0.376 nan 8.150 nan 0.000 0.449 510 D N -0.482 119.972 120.400 0.090 0.000 2.234 510 D HA -0.063 4.669 4.640 0.153 0.000 0.205 510 D C 1.859 178.172 176.300 0.022 0.000 0.962 510 D CA 0.722 54.754 54.000 0.054 0.000 0.855 510 D CB -0.185 40.633 40.800 0.030 0.000 0.951 510 D HN 0.508 nan 8.370 nan 0.000 0.500 511 L N -0.294 120.901 121.223 -0.046 0.000 2.072 511 L HA -0.191 4.241 4.340 0.153 0.000 0.205 511 L C 2.070 178.840 176.870 -0.168 0.000 1.079 511 L CA 1.191 55.933 54.840 -0.163 0.000 0.752 511 L CB -0.207 41.652 42.059 -0.332 0.000 0.906 511 L HN -0.065 nan 8.230 nan 0.000 0.436 512 Y N 0.224 120.566 120.300 0.069 0.000 2.352 512 Y HA -0.102 4.539 4.550 0.152 0.000 0.292 512 Y C 2.609 178.525 175.900 0.027 0.000 1.136 512 Y CA 1.020 59.154 58.100 0.056 0.000 1.227 512 Y CB -0.293 38.254 38.460 0.144 0.000 0.991 512 Y HN 0.126 nan 8.280 nan 0.000 0.545 513 R N -0.168 120.431 120.500 0.166 0.000 2.240 513 R HA 0.024 4.456 4.340 0.153 0.000 0.203 513 R C 0.340 176.680 176.300 0.068 0.000 1.011 513 R CA 0.691 56.852 56.100 0.102 0.000 1.007 513 R CB -0.028 30.323 30.300 0.085 0.000 0.911 513 R HN 0.333 nan 8.270 nan 0.000 0.468 514 N N -0.009 118.733 118.700 0.070 0.000 2.338 514 N HA 0.104 4.936 4.740 0.153 0.000 0.251 514 N C -0.564 175.028 175.510 0.137 0.000 1.199 514 N CA -0.055 53.049 53.050 0.089 0.000 0.879 514 N CB 0.745 39.292 38.487 0.100 0.000 1.159 514 N HN 0.023 nan 8.380 nan 0.000 0.514 515 C N 0.825 120.182 119.300 0.094 0.000 2.362 515 C HA 0.396 4.948 4.460 0.153 0.000 0.363 515 C C 0.913 175.975 174.990 0.121 0.000 1.220 515 C CA -0.373 58.702 59.018 0.095 0.000 2.379 515 C CB 1.165 28.933 27.740 0.045 0.000 2.351 515 C HN 0.393 nan 8.230 nan 0.000 0.582 516 E N 0.073 120.353 120.200 0.134 0.000 2.220 516 E HA 0.321 4.763 4.350 0.153 0.000 0.256 516 E C 0.448 177.104 176.600 0.093 0.000 0.881 516 E CA -0.196 56.281 56.400 0.130 0.000 0.766 516 E CB 1.044 30.884 29.700 0.233 0.000 1.187 516 E HN 0.608 nan 8.360 nan 0.000 0.419 517 T N 3.391 117.995 114.554 0.084 0.000 2.708 517 T HA -0.131 4.311 4.350 0.153 0.000 0.266 517 T C 0.770 175.544 174.700 0.124 0.000 1.037 517 T CA 1.562 63.724 62.100 0.103 0.000 1.146 517 T CB -0.142 68.794 68.868 0.114 0.000 0.865 517 T HN 0.516 nan 8.240 nan 0.000 0.435 518 D N 1.019 121.489 120.400 0.117 0.000 2.123 518 D HA -0.087 4.645 4.640 0.153 0.000 0.196 518 D C 2.261 178.592 176.300 0.051 0.000 0.992 518 D CA 1.400 55.435 54.000 0.059 0.000 0.833 518 D CB -0.418 40.404 40.800 0.035 0.000 0.954 518 D HN 0.359 nan 8.370 nan 0.000 0.455 519 T N 1.374 115.970 114.554 0.070 0.000 2.821 519 T HA -0.055 4.387 4.350 0.153 0.000 0.267 519 T C 2.267 177.008 174.700 0.069 0.000 1.046 519 T CA 0.362 62.502 62.100 0.068 0.000 1.139 519 T CB -0.168 68.746 68.868 0.077 0.000 0.871 519 T HN 0.123 nan 8.240 nan 0.000 0.454 520 L N 0.399 121.662 121.223 0.066 0.000 2.046 520 L HA -0.068 4.364 4.340 0.153 0.000 0.208 520 L C 2.470 179.389 176.870 0.083 0.000 1.077 520 L CA 0.881 55.767 54.840 0.077 0.000 0.747 520 L CB -0.460 41.635 42.059 0.059 0.000 0.896 520 L HN 0.232 nan 8.230 nan 0.000 0.432 521 I N 0.060 120.656 120.570 0.044 0.000 2.226 521 I HA -0.310 3.952 4.170 0.153 0.000 0.245 521 I C 2.427 178.511 176.117 -0.054 0.000 1.100 521 I CA 1.351 62.634 61.300 -0.029 0.000 1.374 521 I CB -1.371 36.599 38.000 -0.049 0.000 1.057 521 I HN 0.474 nan 8.210 nan 0.000 0.413 522 N N 0.679 119.384 118.700 0.007 0.000 2.069 522 N HA -0.287 4.545 4.740 0.153 0.000 0.191 522 N C 2.183 177.662 175.510 -0.052 0.000 1.031 522 N CA 1.712 54.767 53.050 0.008 0.000 0.852 522 N CB -0.261 38.247 38.487 0.034 0.000 1.018 522 N HN 0.371 nan 8.380 nan 0.000 0.423 523 Y N 1.274 121.494 120.300 -0.134 0.000 2.109 523 Y HA -0.072 4.569 4.550 0.152 0.000 0.285 523 Y C 2.704 178.467 175.900 -0.229 0.000 1.131 523 Y CA 1.812 59.780 58.100 -0.220 0.000 1.121 523 Y CB -0.569 37.783 38.460 -0.180 0.000 0.987 523 Y HN -0.004 nan 8.280 nan 0.000 0.495 524 M N 0.139 119.578 119.600 -0.267 0.000 2.106 524 M HA -0.282 4.290 4.480 0.153 0.000 0.259 524 M C 2.422 178.553 176.300 -0.282 0.000 1.068 524 M CA 1.958 57.075 55.300 -0.305 0.000 1.100 524 M CB -0.579 31.955 32.600 -0.110 0.000 1.351 524 M HN 0.500 nan 8.290 nan 0.000 0.404 525 A N 0.325 122.965 122.820 -0.300 0.000 1.898 525 A HA -0.167 4.245 4.320 0.153 0.000 0.216 525 A C 2.089 179.451 177.584 -0.370 0.000 1.181 525 A CA 1.691 53.508 52.037 -0.367 0.000 0.620 525 A CB -0.489 18.273 19.000 -0.397 0.000 0.819 525 A HN 0.435 nan 8.150 nan 0.000 0.442 526 K N -1.670 118.512 120.400 -0.364 0.000 2.148 526 K HA -0.074 4.338 4.320 0.153 0.000 0.204 526 K C 1.717 178.156 176.600 -0.267 0.000 1.050 526 K CA 1.378 57.482 56.287 -0.306 0.000 0.942 526 K CB -0.283 32.012 32.500 -0.343 0.000 0.724 526 K HN 0.518 nan 8.250 nan 0.000 0.446 527 F N 1.451 121.030 119.950 -0.619 0.000 2.146 527 F HA -0.182 4.436 4.527 0.152 0.000 0.298 527 F C 2.179 177.915 175.800 -0.106 0.000 1.096 527 F CA 1.376 59.125 58.000 -0.418 0.000 1.275 527 F CB -0.135 38.470 39.000 -0.659 0.000 1.008 527 F HN -0.037 nan 8.300 nan 0.000 0.480 528 A N -0.748 122.140 122.820 0.114 0.000 1.898 528 A HA -0.191 4.221 4.320 0.153 0.000 0.216 528 A C 2.090 179.761 177.584 0.145 0.000 1.181 528 A CA 1.452 53.579 52.037 0.149 0.000 0.620 528 A CB -1.607 17.500 19.000 0.178 0.000 0.819 528 A HN 0.596 nan 8.150 nan 0.000 0.442 529 Y N -0.865 119.373 120.300 -0.104 0.000 2.403 529 Y HA -0.162 4.479 4.550 0.153 0.000 0.291 529 Y C 2.670 178.466 175.900 -0.174 0.000 1.143 529 Y CA 1.170 59.191 58.100 -0.132 0.000 1.257 529 Y CB 0.018 38.431 38.460 -0.078 0.000 0.984 529 Y HN 0.328 nan 8.280 nan 0.000 0.550 530 R N 0.187 120.682 120.500 -0.008 0.000 2.140 530 R HA -0.020 4.412 4.340 0.153 0.000 0.213 530 R C 2.413 178.613 176.300 -0.168 0.000 1.059 530 R CA 0.862 56.910 56.100 -0.088 0.000 1.000 530 R CB -0.452 29.817 30.300 -0.050 0.000 0.910 530 R HN 0.294 nan 8.270 nan 0.000 0.455 531 G N 0.451 109.130 108.800 -0.202 0.000 2.450 531 G HA2 -0.201 3.851 3.960 0.153 0.000 0.220 531 G HA3 -0.201 3.851 3.960 0.153 0.000 0.220 531 G C 1.287 176.099 174.900 -0.147 0.000 1.130 531 G CA 0.766 45.757 45.100 -0.182 0.000 0.760 531 G HN 0.206 nan 8.290 nan 0.000 0.557 532 V N 0.477 120.268 119.914 -0.205 0.000 2.867 532 V HA -0.102 4.110 4.120 0.153 0.000 0.260 532 V C 2.674 178.619 176.094 -0.249 0.000 1.099 532 V CA 1.030 63.153 62.300 -0.294 0.000 1.122 532 V CB -0.207 31.273 31.823 -0.572 0.000 0.708 532 V HN 0.250 nan 8.190 nan 0.000 0.490 533 L N -0.090 121.023 121.223 -0.183 0.000 2.240 533 L HA 0.046 4.478 4.340 0.153 0.000 0.211 533 L C 1.692 178.539 176.870 -0.038 0.000 1.106 533 L CA 1.545 56.337 54.840 -0.080 0.000 0.793 533 L CB -0.516 41.500 42.059 -0.071 0.000 0.927 533 L HN 0.366 nan 8.230 nan 0.000 0.446 534 N N -2.286 116.381 118.700 -0.056 0.000 2.118 534 N HA 0.179 5.011 4.740 0.153 0.000 0.226 534 N C -0.214 175.283 175.510 -0.022 0.000 1.305 534 N CA 0.119 53.151 53.050 -0.031 0.000 0.890 534 N CB 1.246 39.711 38.487 -0.037 0.000 1.118 534 N HN 0.059 nan 8.380 nan 0.000 0.511 535 S N 1.041 116.722 115.700 -0.031 0.000 2.570 535 S HA 0.561 5.123 4.470 0.153 0.000 0.286 535 S C -2.694 171.899 174.600 -0.012 0.000 1.099 535 S CA -0.917 57.274 58.200 -0.014 0.000 0.913 535 S CB 2.770 65.965 63.200 -0.007 0.000 1.085 535 S HN -0.117 nan 8.310 nan 0.000 0.480 536 P HA 0.101 nan 4.420 nan 0.000 0.267 536 P C 0.820 178.119 177.300 -0.001 0.000 1.200 536 P CA -0.173 62.932 63.100 0.008 0.000 0.772 536 P CB 0.424 32.132 31.700 0.015 0.000 0.855 537 V N 3.404 123.316 119.914 -0.003 0.000 2.282 537 V HA -0.293 3.919 4.120 0.153 0.000 0.249 537 V C 2.350 178.446 176.094 0.004 0.000 1.057 537 V CA 2.044 64.334 62.300 -0.016 0.000 1.032 537 V CB -0.891 30.927 31.823 -0.008 0.000 0.645 537 V HN 0.702 nan 8.190 nan 0.000 0.447 538 K N -0.070 120.338 120.400 0.014 0.000 2.074 538 K HA -0.241 4.171 4.320 0.153 0.000 0.209 538 K C 2.123 178.741 176.600 0.030 0.000 1.048 538 K CA 1.779 58.080 56.287 0.022 0.000 0.926 538 K CB -0.300 32.213 32.500 0.022 0.000 0.713 538 K HN 0.467 nan 8.250 nan 0.000 0.444 539 A N 0.437 123.274 122.820 0.028 0.000 1.872 539 A HA -0.074 4.338 4.320 0.153 0.000 0.214 539 A C 2.232 179.846 177.584 0.050 0.000 1.187 539 A CA 1.356 53.416 52.037 0.038 0.000 0.614 539 A CB -0.610 18.410 19.000 0.034 0.000 0.826 539 A HN 0.159 nan 8.150 nan 0.000 0.442 540 V N 0.286 120.224 119.914 0.040 0.000 2.324 540 V HA -0.336 3.876 4.120 0.153 0.000 0.250 540 V C 2.700 178.836 176.094 0.070 0.000 1.060 540 V CA 2.489 64.823 62.300 0.057 0.000 1.042 540 V CB -0.834 30.998 31.823 0.015 0.000 0.650 540 V HN 0.550 nan 8.190 nan 0.000 0.450 541 R N -0.343 120.187 120.500 0.051 0.000 2.081 541 R HA -0.145 4.287 4.340 0.153 0.000 0.235 541 R C 2.107 178.448 176.300 0.068 0.000 1.131 541 R CA 1.653 57.787 56.100 0.056 0.000 0.960 541 R CB -0.446 29.881 30.300 0.044 0.000 0.856 541 R HN 0.525 nan 8.270 nan 0.000 0.436 542 D N -0.179 120.259 120.400 0.064 0.000 2.097 542 D HA -0.119 4.613 4.640 0.153 0.000 0.195 542 D C 1.794 178.134 176.300 0.067 0.000 0.989 542 D CA 1.510 55.550 54.000 0.066 0.000 0.827 542 D CB -0.304 40.529 40.800 0.056 0.000 0.966 542 D HN 0.152 nan 8.370 nan 0.000 0.456 543 T N 1.940 116.539 114.554 0.074 0.000 2.788 543 T HA -0.118 4.324 4.350 0.153 0.000 0.268 543 T C 1.812 176.545 174.700 0.055 0.000 1.044 543 T CA 0.351 62.497 62.100 0.077 0.000 1.139 543 T CB -0.178 68.771 68.868 0.134 0.000 0.867 543 T HN 0.090 nan 8.240 nan 0.000 0.454 544 L N 1.042 122.306 121.223 0.068 0.000 2.027 544 L HA -0.001 4.431 4.340 0.153 0.000 0.206 544 L C 2.223 179.128 176.870 0.058 0.000 1.074 544 L CA 1.788 56.656 54.840 0.047 0.000 0.745 544 L CB -0.965 41.126 42.059 0.053 0.000 0.898 544 L HN 0.316 nan 8.230 nan 0.000 0.433 545 I N -0.120 120.502 120.570 0.086 0.000 2.226 545 I HA -0.309 3.953 4.170 0.153 0.000 0.245 545 I C 2.385 178.546 176.117 0.073 0.000 1.100 545 I CA 1.676 63.044 61.300 0.113 0.000 1.374 545 I CB -0.540 37.539 38.000 0.132 0.000 1.057 545 I HN 0.282 nan 8.210 nan 0.000 0.413 546 T N 0.163 114.748 114.554 0.052 0.000 2.737 546 T HA -0.203 4.239 4.350 0.153 0.000 0.265 546 T C 1.851 176.562 174.700 0.019 0.000 1.038 546 T CA 1.250 63.368 62.100 0.031 0.000 1.144 546 T CB -0.266 68.618 68.868 0.027 0.000 0.866 546 T HN 0.395 nan 8.240 nan 0.000 0.434 547 Q N -0.010 119.795 119.800 0.007 0.000 2.062 547 Q HA -0.199 4.233 4.340 0.153 0.000 0.209 547 Q C 2.720 178.730 176.000 0.016 0.000 0.996 547 Q CA 1.791 57.588 55.803 -0.009 0.000 0.859 547 Q CB -0.667 28.042 28.738 -0.048 0.000 0.920 547 Q HN 0.582 nan 8.270 nan 0.000 0.415 548 C N 0.220 119.541 119.300 0.035 0.000 2.440 548 C HA 0.019 4.571 4.460 0.153 0.000 0.278 548 C C 2.844 177.859 174.990 0.041 0.000 1.295 548 C CA 0.799 59.848 59.018 0.051 0.000 1.738 548 C CB -1.071 26.721 27.740 0.087 0.000 1.987 548 C HN 0.576 nan 8.230 nan 0.000 0.492 549 A N -0.571 122.267 122.820 0.030 0.000 1.902 549 A HA -0.217 4.195 4.320 0.153 0.000 0.217 549 A C 2.218 179.806 177.584 0.007 0.000 1.181 549 A CA 1.824 53.864 52.037 0.005 0.000 0.623 549 A CB -0.820 18.175 19.000 -0.008 0.000 0.818 549 A HN 0.803 nan 8.150 nan 0.000 0.443 550 Q N -0.771 119.038 119.800 0.016 0.000 2.079 550 Q HA -0.142 4.290 4.340 0.153 0.000 0.200 550 Q C 2.078 178.107 176.000 0.048 0.000 0.974 550 Q CA 1.617 57.433 55.803 0.022 0.000 0.840 550 Q CB -0.310 28.439 28.738 0.018 0.000 0.898 550 Q HN 0.863 nan 8.270 nan 0.000 0.430 551 I N -1.467 119.138 120.570 0.058 0.000 2.361 551 I HA -0.236 4.026 4.170 0.153 0.000 0.251 551 I C 1.703 177.891 176.117 0.119 0.000 1.133 551 I CA 1.515 62.877 61.300 0.103 0.000 1.413 551 I CB -0.251 37.805 38.000 0.094 0.000 1.073 551 I HN 0.098 nan 8.210 nan 0.000 0.424 552 L N 0.763 122.027 121.223 0.069 0.000 2.072 552 L HA -0.016 4.416 4.340 0.153 0.000 0.205 552 L C 2.915 179.826 176.870 0.068 0.000 1.079 552 L CA 1.182 56.058 54.840 0.061 0.000 0.752 552 L CB -0.958 41.114 42.059 0.021 0.000 0.906 552 L HN 0.402 nan 8.230 nan 0.000 0.436 553 A N -0.655 122.183 122.820 0.029 0.000 1.877 553 A HA -0.220 4.192 4.320 0.153 0.000 0.216 553 A C 2.412 180.009 177.584 0.021 0.000 1.186 553 A CA 1.760 53.797 52.037 0.001 0.000 0.620 553 A CB -1.162 17.827 19.000 -0.018 0.000 0.822 553 A HN 0.511 nan 8.150 nan 0.000 0.443 554 C N -2.177 117.159 119.300 0.060 0.000 2.413 554 C HA -0.123 4.429 4.460 0.153 0.000 0.277 554 C C 2.503 177.546 174.990 0.088 0.000 1.265 554 C CA 1.090 60.158 59.018 0.083 0.000 1.752 554 C CB -1.571 26.247 27.740 0.129 0.000 1.998 554 C HN 0.726 nan 8.230 nan 0.000 0.489 555 Y N 2.103 122.370 120.300 -0.056 0.000 2.181 555 Y HA -0.201 4.443 4.550 0.155 0.000 0.288 555 Y C 2.639 178.409 175.900 -0.216 0.000 1.146 555 Y CA 2.124 60.049 58.100 -0.291 0.000 1.164 555 Y CB -0.507 37.710 38.460 -0.406 0.000 0.982 555 Y HN 0.163 nan 8.280 nan 0.000 0.515 556 R N 1.510 121.928 120.500 -0.137 0.000 2.083 556 R HA -0.177 4.255 4.340 0.153 0.000 0.237 556 R C 2.130 178.310 176.300 -0.199 0.000 1.137 556 R CA 2.486 58.476 56.100 -0.184 0.000 0.951 556 R CB -0.529 29.726 30.300 -0.076 0.000 0.851 556 R HN 0.557 nan 8.270 nan 0.000 0.434 557 K N -1.064 119.260 120.400 -0.126 0.000 2.432 557 K HA 0.063 4.475 4.320 0.153 0.000 0.196 557 K C 0.973 177.509 176.600 -0.106 0.000 1.038 557 K CA 1.051 57.278 56.287 -0.099 0.000 0.986 557 K CB 0.088 32.556 32.500 -0.054 0.000 0.782 557 K HN 0.107 nan 8.250 nan 0.000 0.485 558 N N 0.457 119.073 118.700 -0.140 0.000 2.368 558 N HA 0.047 4.879 4.740 0.153 0.000 0.178 558 N C 0.438 175.832 175.510 -0.194 0.000 1.021 558 N CA 0.434 53.425 53.050 -0.099 0.000 0.875 558 N CB 0.089 38.597 38.487 0.034 0.000 1.020 558 N HN 0.168 nan 8.380 nan 0.000 0.433 567 Q N -0.021 119.824 119.800 0.076 0.000 2.316 567 Q HA 0.520 4.952 4.340 0.153 0.000 0.215 567 Q C 0.362 176.436 176.000 0.123 0.000 1.020 567 Q CA -0.539 55.291 55.803 0.045 0.000 0.970 567 Q CB 1.268 30.016 28.738 0.016 0.000 1.187 567 Q HN 1.115 nan 8.270 nan 0.000 0.546 568 L N -0.351 120.924 121.223 0.087 0.000 2.331 568 L HA 0.587 5.019 4.340 0.153 0.000 0.278 568 L C -0.234 176.687 176.870 0.085 0.000 1.106 568 L CA -0.772 54.149 54.840 0.136 0.000 0.824 568 L CB 0.128 42.231 42.059 0.073 0.000 1.142 568 L HN 0.685 nan 8.230 nan 0.000 0.443 569 I N 2.818 123.442 120.570 0.091 0.000 2.498 569 I HA 0.743 5.005 4.170 0.153 0.000 0.290 569 I C -1.326 174.849 176.117 0.097 0.000 1.032 569 I CA -0.767 60.599 61.300 0.111 0.000 1.073 569 I CB 2.020 40.105 38.000 0.141 0.000 1.251 569 I HN 0.708 nan 8.210 nan 0.000 0.426 570 L N 5.608 126.830 121.223 -0.002 0.000 2.466 570 L HA 0.686 5.118 4.340 0.153 0.000 0.258 570 L C -2.582 174.032 176.870 -0.427 0.000 0.973 570 L CA -1.797 52.887 54.840 -0.260 0.000 0.826 570 L CB 2.051 44.024 42.059 -0.143 0.000 1.372 570 L HN 0.426 nan 8.230 nan 0.000 0.409 571 P HA 0.107 nan 4.420 nan 0.000 0.272 571 P C 0.016 177.199 177.300 -0.196 0.000 1.230 571 P CA -0.184 62.609 63.100 -0.510 0.000 0.788 571 P CB 1.018 32.415 31.700 -0.504 0.000 0.949 572 E N 0.447 120.598 120.200 -0.082 0.000 2.085 572 E HA -0.188 4.254 4.350 0.153 0.000 0.194 572 E C 1.718 178.288 176.600 -0.050 0.000 0.994 572 E CA 1.989 58.359 56.400 -0.049 0.000 0.801 572 E CB -0.358 29.331 29.700 -0.018 0.000 0.743 572 E HN 0.606 nan 8.360 nan 0.000 0.453 573 C N -0.736 118.542 119.300 -0.037 0.000 2.539 573 C HA 0.168 4.720 4.460 0.153 0.000 0.271 573 C C 1.816 176.789 174.990 -0.028 0.000 1.412 573 C CA -0.247 58.757 59.018 -0.023 0.000 1.729 573 C CB -0.797 26.946 27.740 0.005 0.000 1.739 573 C HN 0.210 nan 8.230 nan 0.000 0.570 574 M N 0.074 119.638 119.600 -0.060 0.000 2.589 574 M HA 0.187 4.759 4.480 0.153 0.000 0.344 574 M C 1.390 177.638 176.300 -0.086 0.000 1.168 574 M CA -0.035 55.228 55.300 -0.061 0.000 0.956 574 M CB -0.054 32.502 32.600 -0.073 0.000 1.370 574 M HN 0.280 nan 8.290 nan 0.000 0.518 575 K N 0.778 121.121 120.400 -0.094 0.000 2.360 575 K HA -0.016 4.396 4.320 0.153 0.000 0.201 575 K C 1.265 177.778 176.600 -0.145 0.000 1.046 575 K CA 1.007 57.236 56.287 -0.097 0.000 0.945 575 K CB 0.125 32.573 32.500 -0.086 0.000 0.750 575 K HN 0.437 nan 8.250 nan 0.000 0.464 576 L N 0.408 121.494 121.223 -0.227 0.000 2.693 576 L HA 0.052 4.484 4.340 0.153 0.000 0.235 576 L C 1.700 178.318 176.870 -0.420 0.000 1.127 576 L CA -0.259 54.296 54.840 -0.475 0.000 0.914 576 L CB 0.006 41.590 42.059 -0.792 0.000 1.193 576 L HN 0.077 nan 8.230 nan 0.000 0.502 577 L N 1.738 122.877 121.223 -0.140 0.000 1.990 577 L HA -0.094 4.338 4.340 0.153 0.000 0.213 577 L C -0.474 176.423 176.870 0.044 0.000 1.072 577 L CA 2.350 57.186 54.840 -0.007 0.000 0.755 577 L CB -1.217 40.857 42.059 0.025 0.000 0.889 577 L HN 0.064 nan 8.230 nan 0.000 0.432 578 P HA -0.163 nan 4.420 nan 0.000 0.214 578 P C 2.002 179.472 177.300 0.284 0.000 1.163 578 P CA 2.095 65.379 63.100 0.307 0.000 0.889 578 P CB -0.108 31.798 31.700 0.344 0.000 0.790 579 V N -1.674 118.262 119.914 0.037 0.000 2.255 579 V HA -0.284 3.928 4.120 0.153 0.000 0.247 579 V C 2.291 178.337 176.094 -0.080 0.000 1.051 579 V CA 1.936 64.082 62.300 -0.258 0.000 1.018 579 V CB -1.814 29.556 31.823 -0.755 0.000 0.641 579 V HN 0.021 nan 8.190 nan 0.000 0.445 580 Y N -0.365 119.874 120.300 -0.101 0.000 2.274 580 Y HA -0.120 4.516 4.550 0.143 0.000 0.290 580 Y C 2.211 178.006 175.900 -0.175 0.000 1.145 580 Y CA 0.788 58.832 58.100 -0.093 0.000 1.203 580 Y CB -0.923 37.493 38.460 -0.074 0.000 0.984 580 Y HN 0.186 nan 8.280 nan 0.000 0.533 581 L N 0.457 121.692 121.223 0.020 0.000 2.093 581 L HA -0.191 4.241 4.340 0.153 0.000 0.208 581 L C 2.152 178.844 176.870 -0.296 0.000 1.085 581 L CA 1.670 56.467 54.840 -0.072 0.000 0.755 581 L CB -0.714 41.409 42.059 0.106 0.000 0.904 581 L HN 0.257 nan 8.230 nan 0.000 0.435 582 N N -1.417 116.944 118.700 -0.564 0.000 2.188 582 N HA -0.206 4.626 4.740 0.153 0.000 0.184 582 N C 1.829 177.097 175.510 -0.403 0.000 1.018 582 N CA 1.453 53.960 53.050 -0.905 0.000 0.858 582 N CB -0.036 37.836 38.487 -1.025 0.000 0.989 582 N HN 0.468 nan 8.380 nan 0.000 0.426 583 C N -0.028 119.134 119.300 -0.230 0.000 2.429 583 C HA -0.030 4.522 4.460 0.153 0.000 0.277 583 C C 2.750 177.665 174.990 -0.125 0.000 1.262 583 C CA 0.198 59.137 59.018 -0.132 0.000 1.733 583 C CB -0.966 26.788 27.740 0.023 0.000 2.010 583 C HN 0.312 nan 8.230 nan 0.000 0.483 584 V N 1.003 120.736 119.914 -0.302 0.000 2.343 584 V HA -0.211 4.001 4.120 0.153 0.000 0.247 584 V C 2.329 178.372 176.094 -0.086 0.000 1.051 584 V CA 1.793 63.851 62.300 -0.404 0.000 1.036 584 V CB -0.662 30.802 31.823 -0.597 0.000 0.654 584 V HN 0.545 nan 8.190 nan 0.000 0.451 585 L N -0.430 120.723 121.223 -0.117 0.000 2.131 585 L HA -0.157 4.275 4.340 0.153 0.000 0.210 585 L C 2.243 179.100 176.870 -0.021 0.000 1.092 585 L CA 1.540 56.349 54.840 -0.052 0.000 0.759 585 L CB -0.467 41.539 42.059 -0.088 0.000 0.903 585 L HN 0.283 nan 8.230 nan 0.000 0.435 586 K N -0.146 120.222 120.400 -0.053 0.000 2.458 586 K HA 0.069 4.481 4.320 0.153 0.000 0.194 586 K C 0.803 177.458 176.600 0.092 0.000 1.024 586 K CA -0.068 56.206 56.287 -0.021 0.000 1.108 586 K CB 0.146 32.579 32.500 -0.112 0.000 0.846 586 K HN 0.309 nan 8.250 nan 0.000 0.518 587 S N 0.769 116.563 115.700 0.157 0.000 2.585 587 S HA 0.047 4.609 4.470 0.153 0.000 0.273 587 S C 0.637 175.358 174.600 0.202 0.000 1.339 587 S CA -0.719 57.646 58.200 0.275 0.000 1.028 587 S CB 1.034 64.554 63.200 0.533 0.000 0.906 587 S HN 0.039 nan 8.310 nan 0.000 0.528 588 D N 1.190 121.682 120.400 0.154 0.000 2.190 588 D HA -0.102 4.630 4.640 0.153 0.000 0.200 588 D C 1.863 178.190 176.300 0.045 0.000 0.992 588 D CA 0.871 54.895 54.000 0.040 0.000 0.854 588 D CB -0.445 40.359 40.800 0.007 0.000 0.936 588 D HN 0.392 nan 8.370 nan 0.000 0.462 589 V N 0.621 120.546 119.914 0.018 0.000 2.626 589 V HA -0.145 4.067 4.120 0.153 0.000 0.252 589 V C 2.280 178.281 176.094 -0.155 0.000 1.067 589 V CA 1.080 63.271 62.300 -0.181 0.000 1.081 589 V CB -0.134 31.232 31.823 -0.761 0.000 0.686 589 V HN 0.221 nan 8.190 nan 0.000 0.468 590 L N -1.345 119.854 121.223 -0.040 0.000 2.609 590 L HA 0.297 4.729 4.340 0.153 0.000 0.230 590 L C 1.143 178.020 176.870 0.012 0.000 1.087 590 L CA 0.348 55.180 54.840 -0.013 0.000 0.874 590 L CB 0.437 42.520 42.059 0.039 0.000 1.114 590 L HN 0.305 nan 8.230 nan 0.000 0.488 591 Q N 1.311 121.126 119.800 0.024 0.000 3.853 591 Q HA 0.217 4.649 4.340 0.153 0.000 0.220 591 Q C -2.596 173.408 176.000 0.007 0.000 0.826 591 Q CA -1.345 54.468 55.803 0.017 0.000 0.821 591 Q CB 1.349 30.096 28.738 0.016 0.000 1.546 591 Q HN -0.076 nan 8.270 nan 0.000 0.410 592 P HA 0.097 nan 4.420 nan 0.000 0.268 592 P C 0.344 177.621 177.300 -0.039 0.000 1.204 592 P CA 0.385 63.471 63.100 -0.024 0.000 0.768 592 P CB 1.137 32.840 31.700 0.004 0.000 0.842 593 G N 1.873 110.627 108.800 -0.077 0.000 2.634 593 G HA2 0.302 4.354 3.960 0.153 0.000 0.255 593 G HA3 0.302 4.354 3.960 0.153 0.000 0.255 593 G C 1.252 176.129 174.900 -0.038 0.000 1.205 593 G CA -0.027 45.035 45.100 -0.063 0.000 0.884 593 G HN 0.504 nan 8.290 nan 0.000 0.549 594 A N -0.535 122.270 122.820 -0.025 0.000 1.978 594 A HA -0.045 4.367 4.320 0.153 0.000 0.220 594 A C 1.951 179.528 177.584 -0.012 0.000 1.170 594 A CA 1.868 53.897 52.037 -0.014 0.000 0.636 594 A CB -0.246 18.749 19.000 -0.007 0.000 0.810 594 A HN 0.720 nan 8.150 nan 0.000 0.448 595 E N -0.478 119.715 120.200 -0.012 0.000 2.474 595 E HA 0.126 4.568 4.350 0.153 0.000 0.194 595 E C -0.413 176.186 176.600 -0.001 0.000 1.041 595 E CA -0.320 56.080 56.400 -0.000 0.000 0.874 595 E CB 0.250 29.957 29.700 0.013 0.000 0.914 595 E HN 0.335 nan 8.360 nan 0.000 0.498 596 V N 2.672 122.575 119.914 -0.018 0.000 2.540 596 V HA -0.034 4.178 4.120 0.153 0.000 0.297 596 V C 0.597 176.691 176.094 -0.001 0.000 1.024 596 V CA 0.534 62.826 62.300 -0.014 0.000 1.105 596 V CB 0.918 32.719 31.823 -0.036 0.000 0.938 596 V HN 0.106 nan 8.190 nan 0.000 0.482 597 T N 4.111 118.674 114.554 0.015 0.000 2.899 597 T HA 0.125 4.567 4.350 0.153 0.000 0.284 597 T C 1.437 176.137 174.700 0.001 0.000 1.004 597 T CA -0.238 61.869 62.100 0.012 0.000 1.043 597 T CB 1.347 70.233 68.868 0.031 0.000 1.013 597 T HN 0.830 nan 8.240 nan 0.000 0.518 598 T N 1.619 116.159 114.554 -0.023 0.000 2.788 598 T HA -0.115 4.327 4.350 0.153 0.000 0.268 598 T C 1.576 176.246 174.700 -0.051 0.000 1.044 598 T CA 1.089 63.138 62.100 -0.084 0.000 1.139 598 T CB -0.208 68.590 68.868 -0.118 0.000 0.867 598 T HN 0.524 nan 8.240 nan 0.000 0.454 599 D N 1.100 121.518 120.400 0.029 0.000 2.144 599 D HA -0.082 4.650 4.640 0.153 0.000 0.199 599 D C 1.984 178.301 176.300 0.027 0.000 0.984 599 D CA 0.846 54.844 54.000 -0.003 0.000 0.834 599 D CB -0.289 40.494 40.800 -0.029 0.000 0.955 599 D HN 0.327 nan 8.370 nan 0.000 0.465 600 D N 0.339 120.770 120.400 0.052 0.000 2.097 600 D HA -0.094 4.638 4.640 0.153 0.000 0.195 600 D C 2.210 178.603 176.300 0.154 0.000 0.989 600 D CA 0.637 54.708 54.000 0.119 0.000 0.827 600 D CB -0.033 40.825 40.800 0.098 0.000 0.966 600 D HN 0.208 nan 8.370 nan 0.000 0.456 601 R N 0.760 121.324 120.500 0.107 0.000 2.070 601 R HA -0.076 4.356 4.340 0.153 0.000 0.233 601 R C 2.364 178.794 176.300 0.217 0.000 1.137 601 R CA 1.238 57.433 56.100 0.159 0.000 0.945 601 R CB -0.503 29.908 30.300 0.185 0.000 0.845 601 R HN 0.100 nan 8.270 nan 0.000 0.430 602 A N 0.752 123.663 122.820 0.152 0.000 1.917 602 A HA -0.251 4.161 4.320 0.153 0.000 0.219 602 A C 2.054 179.727 177.584 0.149 0.000 1.182 602 A CA 1.528 53.669 52.037 0.173 0.000 0.633 602 A CB -0.853 18.150 19.000 0.004 0.000 0.819 602 A HN 0.460 nan 8.150 nan 0.000 0.448 603 Y N 0.665 120.952 120.300 -0.021 0.000 2.097 603 Y HA -0.186 4.456 4.550 0.153 0.000 0.282 603 Y C 2.414 178.279 175.900 -0.058 0.000 1.152 603 Y CA 1.918 59.980 58.100 -0.063 0.000 1.136 603 Y CB -0.594 37.820 38.460 -0.076 0.000 0.975 603 Y HN 0.059 nan 8.280 nan 0.000 0.498 604 V N 1.164 121.040 119.914 -0.064 0.000 2.515 604 V HA -0.252 3.960 4.120 0.153 0.000 0.250 604 V C 2.579 178.614 176.094 -0.099 0.000 1.058 604 V CA 2.052 64.244 62.300 -0.179 0.000 1.064 604 V CB -0.737 31.110 31.823 0.041 0.000 0.675 604 V HN 0.356 nan 8.190 nan 0.000 0.461 605 R N 0.340 120.841 120.500 0.001 0.000 2.073 605 R HA -0.274 4.158 4.340 0.153 0.000 0.234 605 R C 2.418 178.740 176.300 0.037 0.000 1.134 605 R CA 2.317 58.440 56.100 0.039 0.000 0.952 605 R CB -0.255 30.015 30.300 -0.051 0.000 0.850 605 R HN 0.585 nan 8.270 nan 0.000 0.433 606 Q N 0.692 120.462 119.800 -0.050 0.000 2.124 606 Q HA -0.117 4.315 4.340 0.153 0.000 0.202 606 Q C 2.049 177.935 176.000 -0.190 0.000 0.977 606 Q CA 1.657 57.398 55.803 -0.103 0.000 0.850 606 Q CB -0.248 28.428 28.738 -0.104 0.000 0.901 606 Q HN 0.474 nan 8.270 nan 0.000 0.429 607 L N -0.573 120.465 121.223 -0.308 0.000 2.017 607 L HA -0.149 4.283 4.340 0.153 0.000 0.208 607 L C 2.307 178.980 176.870 -0.329 0.000 1.073 607 L CA 1.113 55.716 54.840 -0.395 0.000 0.745 607 L CB -0.536 41.176 42.059 -0.577 0.000 0.894 607 L HN 0.166 nan 8.230 nan 0.000 0.432 608 V N -0.601 119.128 119.914 -0.310 0.000 2.720 608 V HA -0.233 3.979 4.120 0.153 0.000 0.256 608 V C 2.424 178.410 176.094 -0.180 0.000 1.082 608 V CA 1.978 64.092 62.300 -0.310 0.000 1.101 608 V CB -0.675 30.955 31.823 -0.322 0.000 0.693 608 V HN 0.491 nan 8.190 nan 0.000 0.479 609 T N -0.864 113.630 114.554 -0.100 0.000 2.962 609 T HA -0.102 4.340 4.350 0.153 0.000 0.270 609 T C 1.804 176.474 174.700 -0.050 0.000 1.088 609 T CA 1.617 63.684 62.100 -0.054 0.000 1.127 609 T CB -0.075 68.771 68.868 -0.038 0.000 0.883 609 T HN 0.469 nan 8.240 nan 0.000 0.493 610 S N -0.066 115.579 115.700 -0.092 0.000 2.559 610 S HA 0.383 4.945 4.470 0.153 0.000 0.226 610 S C 0.570 175.128 174.600 -0.070 0.000 1.000 610 S CA -0.292 57.870 58.200 -0.064 0.000 0.948 610 S CB 0.099 63.245 63.200 -0.090 0.000 0.870 610 S HN 0.412 nan 8.310 nan 0.000 0.497 611 M N 2.226 121.759 119.600 -0.112 0.000 2.252 611 M HA 0.087 4.659 4.480 0.153 0.000 0.333 611 M C 0.424 176.694 176.300 -0.050 0.000 1.111 611 M CA 0.222 55.456 55.300 -0.110 0.000 1.140 611 M CB 0.273 32.768 32.600 -0.176 0.000 1.538 611 M HN 0.093 nan 8.290 nan 0.000 0.448 612 D N 0.875 121.254 120.400 -0.035 0.000 2.447 612 D HA 0.151 4.883 4.640 0.153 0.000 0.265 612 D C 0.742 177.041 176.300 -0.001 0.000 1.250 612 D CA -0.446 53.552 54.000 -0.003 0.000 1.046 612 D CB 0.971 41.770 40.800 -0.001 0.000 1.095 612 D HN 0.319 nan 8.370 nan 0.000 0.555 613 V N 0.155 120.080 119.914 0.019 0.000 2.515 613 V HA -0.168 4.044 4.120 0.153 0.000 0.250 613 V C 2.288 178.389 176.094 0.012 0.000 1.058 613 V CA 2.077 64.391 62.300 0.024 0.000 1.064 613 V CB -0.801 31.049 31.823 0.044 0.000 0.675 613 V HN 0.646 nan 8.190 nan 0.000 0.461 614 T N 0.058 114.616 114.554 0.008 0.000 2.708 614 T HA -0.208 4.234 4.350 0.153 0.000 0.266 614 T C 1.805 176.502 174.700 -0.005 0.000 1.037 614 T CA 1.840 63.942 62.100 0.002 0.000 1.146 614 T CB -0.220 68.644 68.868 -0.007 0.000 0.865 614 T HN 0.627 nan 8.240 nan 0.000 0.435 615 E N 0.332 120.520 120.200 -0.020 0.000 2.072 615 E HA -0.092 4.350 4.350 0.153 0.000 0.191 615 E C 2.421 179.001 176.600 -0.035 0.000 0.985 615 E CA 1.228 57.607 56.400 -0.036 0.000 0.801 615 E CB -0.229 29.425 29.700 -0.078 0.000 0.750 615 E HN 0.310 nan 8.360 nan 0.000 0.452 616 T N 0.436 114.971 114.554 -0.032 0.000 2.951 616 T HA -0.129 4.313 4.350 0.153 0.000 0.268 616 T C 1.677 176.430 174.700 0.088 0.000 1.073 616 T CA 1.492 63.597 62.100 0.008 0.000 1.134 616 T CB -0.216 68.705 68.868 0.088 0.000 0.884 616 T HN 0.126 nan 8.240 nan 0.000 0.479 617 N N 0.141 118.848 118.700 0.012 0.000 2.080 617 N HA -0.062 4.770 4.740 0.153 0.000 0.189 617 N C 1.825 177.323 175.510 -0.021 0.000 1.036 617 N CA 1.618 54.622 53.050 -0.077 0.000 0.846 617 N CB -0.557 37.882 38.487 -0.079 0.000 1.015 617 N HN 0.216 nan 8.380 nan 0.000 0.423 618 V N -0.397 119.532 119.914 0.025 0.000 2.719 618 V HA -0.006 4.206 4.120 0.153 0.000 0.252 618 V C 1.711 177.835 176.094 0.049 0.000 1.065 618 V CA 1.051 63.386 62.300 0.058 0.000 1.086 618 V CB -0.856 31.002 31.823 0.059 0.000 0.700 618 V HN 0.401 nan 8.190 nan 0.000 0.467 619 F N 0.745 120.598 119.950 -0.162 0.000 2.102 619 F HA -0.118 4.502 4.527 0.155 0.000 0.298 619 F C 1.808 177.425 175.800 -0.304 0.000 1.105 619 F CA 2.014 59.844 58.000 -0.284 0.000 1.239 619 F CB -0.493 38.178 39.000 -0.548 0.000 0.991 619 F HN 0.256 nan 8.300 nan 0.000 0.474 620 F N -2.293 117.586 119.950 -0.118 0.000 2.293 620 F HA -0.050 4.567 4.527 0.150 0.000 0.297 620 F C 0.452 176.150 175.800 -0.169 0.000 1.089 620 F CA 0.607 58.465 58.000 -0.237 0.000 1.377 620 F CB -0.285 38.639 39.000 -0.128 0.000 1.051 620 F HN -0.125 nan 8.300 nan 0.000 0.511 621 Y N 2.906 123.183 120.300 -0.038 0.000 2.805 621 Y HA 0.355 4.979 4.550 0.122 0.000 0.339 621 Y C -2.488 173.399 175.900 -0.021 0.000 1.012 621 Y CA -3.543 54.547 58.100 -0.017 0.000 1.262 621 Y CB 0.334 38.845 38.460 0.085 0.000 1.100 621 Y HN -0.242 nan 8.280 nan 0.000 0.559 622 P HA -0.037 nan 4.420 nan 0.000 0.267 622 P C -0.637 176.673 177.300 0.016 0.000 1.200 622 P CA -0.025 63.045 63.100 -0.050 0.000 0.772 622 P CB 0.895 32.564 31.700 -0.051 0.000 0.855 623 R N 2.782 123.331 120.500 0.083 0.000 2.298 623 R HA 0.329 4.761 4.340 0.153 0.000 0.310 623 R C -1.122 175.237 176.300 0.098 0.000 1.068 623 R CA -0.556 55.613 56.100 0.115 0.000 0.957 623 R CB 0.057 30.419 30.300 0.103 0.000 1.003 623 R HN 0.357 nan 8.270 nan 0.000 0.454 624 L N 5.926 127.215 121.223 0.110 0.000 2.316 624 L HA 0.372 4.804 4.340 0.153 0.000 0.280 624 L C -1.750 175.228 176.870 0.179 0.000 1.006 624 L CA -0.756 54.160 54.840 0.127 0.000 0.836 624 L CB 1.480 43.569 42.059 0.050 0.000 1.221 624 L HN 0.555 nan 8.230 nan 0.000 0.418 625 L N 8.090 129.439 121.223 0.210 0.000 2.287 625 L HA 0.637 5.069 4.340 0.153 0.000 0.287 625 L C -2.163 174.840 176.870 0.221 0.000 1.022 625 L CA -1.929 53.023 54.840 0.186 0.000 0.814 625 L CB 1.406 43.537 42.059 0.119 0.000 1.217 625 L HN 0.460 nan 8.230 nan 0.000 0.420 626 P HA 0.245 nan 4.420 nan 0.000 0.280 626 P C 0.267 177.476 177.300 -0.152 0.000 1.244 626 P CA -0.307 62.688 63.100 -0.174 0.000 0.784 626 P CB 1.697 33.340 31.700 -0.096 0.000 0.913 627 L N 1.596 122.685 121.223 -0.224 0.000 2.276 627 L HA 0.094 4.526 4.340 0.153 0.000 0.194 627 L C 1.611 178.422 176.870 -0.099 0.000 1.099 627 L CA 0.816 55.595 54.840 -0.101 0.000 0.800 627 L CB -1.144 40.882 42.059 -0.054 0.000 0.994 627 L HN 0.397 nan 8.230 nan 0.000 0.475 628 T N -2.243 112.240 114.554 -0.119 0.000 2.766 628 T HA 0.157 4.599 4.350 0.153 0.000 0.295 628 T C 0.569 175.226 174.700 -0.073 0.000 1.024 628 T CA -0.210 61.845 62.100 -0.075 0.000 1.018 628 T CB 1.732 70.570 68.868 -0.050 0.000 1.002 628 T HN 0.327 nan 8.240 nan 0.000 0.532 629 K N -0.823 119.556 120.400 -0.036 0.000 3.695 629 K HA -0.158 4.254 4.320 0.153 0.000 0.416 629 K C 0.398 176.991 176.600 -0.012 0.000 0.459 629 K CA 1.673 57.950 56.287 -0.017 0.000 1.825 629 K CB -1.879 30.615 32.500 -0.010 0.000 0.891 629 K HN 0.683 nan 8.250 nan 0.000 0.469 630 S N 2.278 117.968 115.700 -0.015 0.000 2.891 630 S HA 0.186 4.748 4.470 0.153 0.000 0.186 630 S C -1.797 172.798 174.600 -0.008 0.000 1.401 630 S CA -0.795 57.401 58.200 -0.006 0.000 1.035 630 S CB 1.089 64.289 63.200 -0.000 0.000 1.293 630 S HN 0.202 nan 8.310 nan 0.000 0.493 631 P HA 0.027 nan 4.420 nan 0.000 0.271 631 P C 0.269 177.566 177.300 -0.005 0.000 1.535 631 P CA 0.090 63.185 63.100 -0.009 0.000 0.820 631 P CB -0.145 31.549 31.700 -0.010 0.000 1.606 632 V N 0.885 120.797 119.914 -0.002 0.000 2.180 632 V HA -0.041 4.171 4.120 0.153 0.000 0.238 632 V C 1.676 177.770 176.094 -0.001 0.000 1.337 632 V CA 0.372 62.672 62.300 -0.000 0.000 1.338 632 V CB -1.365 30.460 31.823 0.003 0.000 1.431 632 V HN 0.180 nan 8.190 nan 0.000 0.498 633 E N 3.897 124.095 120.200 -0.003 0.000 2.965 633 E HA -0.393 4.049 4.350 0.153 0.000 0.215 633 E C 1.972 178.570 176.600 -0.002 0.000 0.862 633 E CA 2.827 59.225 56.400 -0.003 0.000 1.372 633 E CB -1.332 28.367 29.700 -0.002 0.000 1.425 633 E HN 0.699 nan 8.360 nan 0.000 0.458 634 S N -1.249 114.451 115.700 0.000 0.000 2.338 634 S HA -0.047 4.515 4.470 0.153 0.000 0.218 634 S C 0.769 175.372 174.600 0.004 0.000 1.032 634 S CA 1.312 59.513 58.200 0.002 0.000 0.999 634 S CB -0.675 62.527 63.200 0.003 0.000 0.905 634 S HN 0.563 nan 8.310 nan 0.000 0.439 639 P HA 0.464 nan 4.420 nan 0.000 0.276 639 P C -0.222 177.120 177.300 0.071 0.000 1.230 639 P CA -0.090 63.040 63.100 0.050 0.000 0.776 639 P CB 0.836 32.562 31.700 0.043 0.000 0.888 640 A N 2.981 125.847 122.820 0.077 0.000 2.346 640 A HA 0.472 4.884 4.320 0.153 0.000 0.252 640 A C 0.098 177.745 177.584 0.104 0.000 1.089 640 A CA -0.356 51.741 52.037 0.101 0.000 0.797 640 A CB 0.274 19.338 19.000 0.107 0.000 1.047 640 A HN 0.419 nan 8.150 nan 0.000 0.494 641 V N 0.663 120.649 119.914 0.121 0.000 3.046 641 V HA 0.396 4.608 4.120 0.153 0.000 0.316 641 V C 0.396 176.552 176.094 0.104 0.000 1.104 641 V CA -0.950 61.411 62.300 0.102 0.000 1.006 641 V CB 1.807 33.696 31.823 0.110 0.000 1.058 641 V HN 0.968 nan 8.190 nan 0.000 0.440 642 R N 1.368 121.919 120.500 0.084 0.000 2.623 642 R HA 0.347 4.779 4.340 0.153 0.000 0.271 642 R C 0.349 176.663 176.300 0.022 0.000 1.043 642 R CA 0.127 56.302 56.100 0.125 0.000 1.083 642 R CB 0.380 30.728 30.300 0.080 0.000 0.974 642 R HN 0.875 nan 8.270 nan 0.000 0.436 643 A N 2.437 125.234 122.820 -0.038 0.000 2.981 643 A HA 0.126 4.538 4.320 0.153 0.000 0.280 643 A C -0.050 177.386 177.584 -0.247 0.000 1.797 643 A CA 0.331 52.200 52.037 -0.280 0.000 1.456 643 A CB -0.098 18.516 19.000 -0.643 0.000 1.057 643 A HN 0.478 nan 8.150 nan 0.000 0.602 644 S N 0.597 116.173 115.700 -0.207 0.000 2.546 644 S HA 0.315 4.877 4.470 0.153 0.000 0.272 644 S C 0.859 175.316 174.600 -0.239 0.000 1.140 644 S CA -0.014 58.072 58.200 -0.189 0.000 0.920 644 S CB 1.055 64.196 63.200 -0.099 0.000 1.083 644 S HN 0.754 nan 8.310 nan 0.000 0.476 645 E N 2.264 122.323 120.200 -0.234 0.000 2.331 645 E HA -0.193 4.249 4.350 0.153 0.000 0.199 645 E C 1.085 177.561 176.600 -0.208 0.000 1.008 645 E CA 1.230 57.473 56.400 -0.261 0.000 0.843 645 E CB -0.116 29.481 29.700 -0.172 0.000 0.761 645 E HN 0.792 nan 8.360 nan 0.000 0.507 646 E N 0.508 120.621 120.200 -0.144 0.000 2.347 646 E HA -0.092 4.350 4.350 0.153 0.000 0.196 646 E C 1.450 177.994 176.600 -0.093 0.000 1.008 646 E CA 0.367 56.712 56.400 -0.090 0.000 0.852 646 E CB 0.259 29.927 29.700 -0.054 0.000 0.783 646 E HN 0.144 nan 8.360 nan 0.000 0.505 647 R N -0.189 120.222 120.500 -0.148 0.000 2.362 647 R HA 0.199 4.631 4.340 0.153 0.000 0.227 647 R C 0.090 176.251 176.300 -0.232 0.000 0.905 647 R CA 0.001 56.025 56.100 -0.126 0.000 1.067 647 R CB 0.292 30.529 30.300 -0.104 0.000 1.078 647 R HN 0.151 nan 8.270 nan 0.000 0.516 648 L N 2.139 123.136 121.223 -0.378 0.000 2.295 648 L HA 0.184 4.616 4.340 0.153 0.000 0.288 648 L C 0.537 177.328 176.870 -0.132 0.000 1.079 648 L CA -0.306 54.177 54.840 -0.594 0.000 0.830 648 L CB 1.122 42.599 42.059 -0.971 0.000 1.200 648 L HN -0.061 nan 8.230 nan 0.000 0.438 649 S N 2.411 118.224 115.700 0.189 0.000 2.523 649 S HA 0.134 4.696 4.470 0.153 0.000 0.275 649 S C 1.187 176.026 174.600 0.398 0.000 1.281 649 S CA -0.759 57.602 58.200 0.268 0.000 1.050 649 S CB 0.650 64.013 63.200 0.272 0.000 0.937 649 S HN 0.585 nan 8.310 nan 0.000 0.492 650 N N 3.892 122.760 118.700 0.279 0.000 2.443 650 N HA -0.016 4.816 4.740 0.153 0.000 0.184 650 N C 1.232 176.817 175.510 0.124 0.000 1.037 650 N CA 1.053 54.246 53.050 0.238 0.000 0.896 650 N CB -0.263 38.287 38.487 0.104 0.000 0.959 650 N HN 0.745 nan 8.380 nan 0.000 0.442 651 G N -0.716 108.167 108.800 0.138 0.000 3.707 651 G HA2 0.127 4.179 3.960 0.153 0.000 0.286 651 G HA3 0.127 4.179 3.960 0.153 0.000 0.286 651 G C -0.291 174.669 174.900 0.100 0.000 1.112 651 G CA -0.266 44.879 45.100 0.075 0.000 0.861 651 G HN 0.063 nan 8.290 nan 0.000 0.534 652 D N -0.437 120.077 120.400 0.190 0.000 2.610 652 D HA 0.471 5.203 4.640 0.153 0.000 0.271 652 D C -0.763 175.659 176.300 0.204 0.000 1.174 652 D CA -0.407 53.663 54.000 0.118 0.000 0.949 652 D CB 2.380 43.185 40.800 0.008 0.000 1.430 652 D HN -0.068 nan 8.370 nan 0.000 0.467 653 I N 0.582 121.156 120.570 0.006 0.000 2.569 653 I HA 0.379 4.641 4.170 0.153 0.000 0.296 653 I C -1.247 174.835 176.117 -0.058 0.000 1.028 653 I CA -0.709 60.685 61.300 0.157 0.000 1.082 653 I CB 1.580 39.660 38.000 0.133 0.000 1.264 653 I HN 0.232 nan 8.210 nan 0.000 0.429 654 Y N 4.630 125.130 120.300 0.333 0.000 2.545 654 Y HA 0.575 5.166 4.550 0.068 0.000 0.348 654 Y C -0.576 175.468 175.900 0.240 0.000 1.002 654 Y CA -0.816 57.438 58.100 0.256 0.000 1.039 654 Y CB 1.923 40.531 38.460 0.247 0.000 1.271 654 Y HN 0.279 nan 8.280 nan 0.000 0.467 655 L N 3.717 125.138 121.223 0.331 0.000 2.322 655 L HA 0.642 5.074 4.340 0.153 0.000 0.281 655 L C -1.366 175.663 176.870 0.266 0.000 1.014 655 L CA -0.935 54.056 54.840 0.251 0.000 0.815 655 L CB 1.832 43.979 42.059 0.147 0.000 1.247 655 L HN 0.664 nan 8.230 nan 0.000 0.421 656 L N 4.602 125.999 121.223 0.291 0.000 2.401 656 L HA 0.587 5.019 4.340 0.153 0.000 0.266 656 L C -1.200 175.794 176.870 0.206 0.000 0.991 656 L CA -0.210 54.785 54.840 0.258 0.000 0.818 656 L CB 2.064 44.327 42.059 0.341 0.000 1.321 656 L HN 0.661 nan 8.230 nan 0.000 0.413 657 E N 3.376 123.651 120.200 0.124 0.000 2.343 657 E HA 0.251 4.693 4.350 0.153 0.000 0.278 657 E C -1.521 175.123 176.600 0.074 0.000 0.910 657 E CA -0.533 55.914 56.400 0.077 0.000 0.757 657 E CB 1.788 31.515 29.700 0.046 0.000 1.218 657 E HN 0.764 nan 8.360 nan 0.000 0.435 658 N N 2.769 121.521 118.700 0.087 0.000 2.241 658 N HA 0.171 5.003 4.740 0.153 0.000 0.238 658 N C 0.881 176.482 175.510 0.152 0.000 1.244 658 N CA 0.450 53.574 53.050 0.122 0.000 0.880 658 N CB 0.983 39.580 38.487 0.184 0.000 1.179 658 N HN 0.802 nan 8.380 nan 0.000 0.513 659 G N 0.414 109.268 108.800 0.090 0.000 2.225 659 G HA2 -0.273 3.779 3.960 0.153 0.000 0.254 659 G HA3 -0.273 3.779 3.960 0.153 0.000 0.254 659 G C 0.490 175.425 174.900 0.058 0.000 0.988 659 G CA 0.649 45.786 45.100 0.061 0.000 0.625 659 G HN 0.356 nan 8.290 nan 0.000 0.527 660 L N -1.116 120.167 121.223 0.101 0.000 2.806 660 L HA 0.392 4.824 4.340 0.153 0.000 0.242 660 L C 0.605 177.518 176.870 0.071 0.000 1.068 660 L CA 0.049 54.947 54.840 0.098 0.000 0.923 660 L CB 0.301 42.452 42.059 0.153 0.000 1.364 660 L HN 0.102 nan 8.230 nan 0.000 0.511 661 N N 0.500 119.220 118.700 0.034 0.000 2.225 661 N HA 0.535 5.367 4.740 0.153 0.000 0.298 661 N C -1.496 173.843 175.510 -0.285 0.000 1.076 661 N CA -0.360 52.595 53.050 -0.158 0.000 0.792 661 N CB 3.337 41.720 38.487 -0.174 0.000 1.498 661 N HN -0.074 nan 8.380 nan 0.000 0.474 662 L N 2.132 123.094 121.223 -0.434 0.000 2.322 662 L HA 0.578 5.010 4.340 0.153 0.000 0.281 662 L C -1.193 175.350 176.870 -0.545 0.000 1.014 662 L CA -0.619 54.039 54.840 -0.304 0.000 0.815 662 L CB 0.860 42.818 42.059 -0.169 0.000 1.247 662 L HN 0.422 nan 8.230 nan 0.000 0.421 663 F N 3.862 123.827 119.950 0.026 0.000 2.540 663 F HA 0.475 5.084 4.527 0.138 0.000 0.317 663 F C -0.487 175.366 175.800 0.089 0.000 1.104 663 F CA -0.715 57.318 58.000 0.055 0.000 0.913 663 F CB 1.929 41.008 39.000 0.131 0.000 1.170 663 F HN 0.131 nan 8.300 nan 0.000 0.450 664 L N 3.741 125.102 121.223 0.230 0.000 2.318 664 L HA 0.416 4.848 4.340 0.153 0.000 0.277 664 L C -1.514 175.475 176.870 0.198 0.000 1.008 664 L CA -0.634 54.336 54.840 0.217 0.000 0.846 664 L CB 0.639 42.804 42.059 0.177 0.000 1.220 664 L HN 0.689 nan 8.230 nan 0.000 0.423 665 W N 6.294 127.617 121.300 0.037 0.000 2.361 665 W HA 0.642 5.398 4.660 0.160 0.000 0.309 665 W C -1.088 175.512 176.519 0.135 0.000 1.122 665 W CA -0.534 56.772 57.345 -0.065 0.000 1.208 665 W CB 1.301 30.660 29.460 -0.168 0.000 1.246 665 W HN 0.302 nan 8.180 nan 0.000 0.490 666 V N 7.140 126.767 119.914 -0.477 0.000 2.384 666 V HA 0.516 4.728 4.120 0.153 0.000 0.287 666 V C 0.776 176.410 176.094 -0.768 0.000 1.020 666 V CA -0.883 61.234 62.300 -0.305 0.000 0.850 666 V CB 0.829 32.641 31.823 -0.018 0.000 0.987 666 V HN 0.746 nan 8.190 nan 0.000 0.436 667 G N 2.901 111.376 108.800 -0.543 0.000 2.442 667 G HA2 0.409 4.461 3.960 0.153 0.000 0.249 667 G HA3 0.409 4.461 3.960 0.153 0.000 0.249 667 G C 1.036 175.524 174.900 -0.687 0.000 1.263 667 G CA 0.232 45.013 45.100 -0.532 0.000 0.846 667 G HN 1.055 nan 8.290 nan 0.000 0.555 668 A N 1.819 124.085 122.820 -0.923 0.000 2.019 668 A HA 0.003 4.415 4.320 0.153 0.000 0.219 668 A C 2.286 179.334 177.584 -0.894 0.000 1.164 668 A CA 1.859 52.929 52.037 -1.611 0.000 0.644 668 A CB -0.084 18.398 19.000 -0.863 0.000 0.805 668 A HN 0.547 nan 8.150 nan 0.000 0.449 669 S N -0.370 115.077 115.700 -0.421 0.000 2.634 669 S HA 0.238 4.800 4.470 0.153 0.000 0.221 669 S C 0.399 174.927 174.600 -0.120 0.000 0.952 669 S CA -0.384 57.694 58.200 -0.204 0.000 0.930 669 S CB -0.234 62.909 63.200 -0.095 0.000 0.780 669 S HN 0.255 nan 8.310 nan 0.000 0.498 670 V N 3.134 122.964 119.914 -0.141 0.000 2.928 670 V HA -0.036 4.176 4.120 0.153 0.000 0.307 670 V C 0.754 176.859 176.094 0.019 0.000 1.105 670 V CA 0.147 62.438 62.300 -0.014 0.000 1.223 670 V CB 0.365 32.219 31.823 0.051 0.000 0.930 670 V HN 0.417 nan 8.190 nan 0.000 0.499 671 Q N 2.963 122.785 119.800 0.036 0.000 2.361 671 Q HA 0.007 4.439 4.340 0.153 0.000 0.276 671 Q C 1.047 177.081 176.000 0.057 0.000 1.022 671 Q CA 0.371 56.197 55.803 0.037 0.000 0.898 671 Q CB 0.523 29.279 28.738 0.030 0.000 1.246 671 Q HN 0.787 nan 8.270 nan 0.000 0.410 672 Q N 2.273 122.103 119.800 0.050 0.000 2.061 672 Q HA -0.179 4.253 4.340 0.153 0.000 0.204 672 Q C 1.668 177.702 176.000 0.057 0.000 0.984 672 Q CA 1.887 57.724 55.803 0.058 0.000 0.846 672 Q CB -0.281 28.482 28.738 0.042 0.000 0.902 672 Q HN 0.942 nan 8.270 nan 0.000 0.421 673 G N -0.113 108.711 108.800 0.041 0.000 2.440 673 G HA2 -0.245 3.807 3.960 0.153 0.000 0.218 673 G HA3 -0.245 3.807 3.960 0.153 0.000 0.218 673 G C 1.423 176.346 174.900 0.038 0.000 1.154 673 G CA 1.019 46.139 45.100 0.033 0.000 0.767 673 G HN 0.311 nan 8.290 nan 0.000 0.552 674 V N 0.518 120.459 119.914 0.046 0.000 2.295 674 V HA -0.183 4.029 4.120 0.153 0.000 0.246 674 V C 3.055 179.200 176.094 0.085 0.000 1.049 674 V CA 1.636 63.965 62.300 0.048 0.000 1.024 674 V CB -0.369 31.489 31.823 0.057 0.000 0.648 674 V HN 0.267 nan 8.190 nan 0.000 0.447 675 V N -0.622 119.381 119.914 0.148 0.000 2.515 675 V HA -0.293 3.919 4.120 0.153 0.000 0.250 675 V C 2.378 178.589 176.094 0.195 0.000 1.058 675 V CA 1.839 64.296 62.300 0.263 0.000 1.064 675 V CB -0.718 31.235 31.823 0.217 0.000 0.675 675 V HN 0.585 nan 8.190 nan 0.000 0.461 676 Q N -0.152 119.709 119.800 0.102 0.000 2.046 676 Q HA -0.142 4.290 4.340 0.153 0.000 0.200 676 Q C 2.447 178.466 176.000 0.031 0.000 0.975 676 Q CA 1.832 57.675 55.803 0.066 0.000 0.836 676 Q CB -0.229 28.535 28.738 0.042 0.000 0.896 676 Q HN 0.552 nan 8.270 nan 0.000 0.428 677 S N 0.418 116.122 115.700 0.006 0.000 2.507 677 S HA -0.016 4.546 4.470 0.153 0.000 0.235 677 S C 1.448 175.988 174.600 -0.099 0.000 0.988 677 S CA 0.500 58.679 58.200 -0.034 0.000 0.944 677 S CB 0.144 63.325 63.200 -0.031 0.000 0.762 677 S HN 0.253 nan 8.310 nan 0.000 0.526 678 L N -1.263 119.866 121.223 -0.157 0.000 2.577 678 L HA 0.400 4.832 4.340 0.153 0.000 0.225 678 L C 0.440 176.929 176.870 -0.634 0.000 1.053 678 L CA 1.188 55.766 54.840 -0.438 0.000 0.866 678 L CB -0.123 41.572 42.059 -0.608 0.000 1.132 678 L HN 0.304 nan 8.230 nan 0.000 0.486 679 F N -1.246 118.695 119.950 -0.014 0.000 2.746 679 F HA 0.227 4.843 4.527 0.149 0.000 0.313 679 F C 1.514 177.301 175.800 -0.023 0.000 1.095 679 F CA 0.444 58.430 58.000 -0.024 0.000 1.224 679 F CB 0.307 39.285 39.000 -0.038 0.000 1.060 679 F HN -0.080 nan 8.300 nan 0.000 0.584 680 S N 1.133 116.905 115.700 0.120 0.000 3.748 680 S HA -0.127 4.435 4.470 0.153 0.000 0.329 680 S C -0.323 174.320 174.600 0.071 0.000 1.104 680 S CA 0.485 58.727 58.200 0.070 0.000 0.954 680 S CB -1.651 61.573 63.200 0.040 0.000 0.910 680 S HN 0.374 nan 8.310 nan 0.000 0.494 681 V N -1.814 118.155 119.914 0.092 0.000 2.962 681 V HA 0.840 5.052 4.120 0.153 0.000 0.313 681 V C 0.939 177.064 176.094 0.051 0.000 1.099 681 V CA -0.108 62.221 62.300 0.048 0.000 0.971 681 V CB 1.858 33.689 31.823 0.013 0.000 1.028 681 V HN 0.102 nan 8.190 nan 0.000 0.430 682 S N 1.249 116.967 115.700 0.030 0.000 2.496 682 S HA 0.148 4.710 4.470 0.153 0.000 0.224 682 S C 0.801 175.425 174.600 0.041 0.000 0.996 682 S CA 0.728 58.949 58.200 0.035 0.000 0.927 682 S CB -0.154 63.060 63.200 0.024 0.000 0.774 682 S HN 1.290 nan 8.310 nan 0.000 0.524 683 S N -0.287 115.430 115.700 0.028 0.000 2.570 683 S HA 0.548 5.110 4.470 0.153 0.000 0.286 683 S C 0.336 174.958 174.600 0.036 0.000 1.099 683 S CA -0.815 57.414 58.200 0.049 0.000 0.913 683 S CB 0.851 64.074 63.200 0.040 0.000 1.085 683 S HN 0.090 nan 8.310 nan 0.000 0.480 684 F N 2.721 122.633 119.950 -0.064 0.000 2.120 684 F HA -0.116 4.500 4.527 0.149 0.000 0.300 684 F C 2.590 178.305 175.800 -0.141 0.000 1.095 684 F CA 2.339 60.270 58.000 -0.115 0.000 1.249 684 F CB -0.619 38.320 39.000 -0.102 0.000 0.995 684 F HN 0.728 nan 8.300 nan 0.000 0.480 685 S N -0.406 115.218 115.700 -0.126 0.000 2.419 685 S HA -0.249 4.313 4.470 0.153 0.000 0.235 685 S C 1.829 176.273 174.600 -0.259 0.000 1.019 685 S CA 1.682 59.758 58.200 -0.206 0.000 0.982 685 S CB -0.412 62.767 63.200 -0.035 0.000 0.789 685 S HN 0.718 nan 8.310 nan 0.000 0.490 686 Q N -0.013 119.660 119.800 -0.211 0.000 2.424 686 Q HA 0.276 4.708 4.340 0.153 0.000 0.204 686 Q C 0.088 175.938 176.000 -0.251 0.000 0.933 686 Q CA 0.042 55.737 55.803 -0.180 0.000 0.929 686 Q CB 0.092 28.770 28.738 -0.100 0.000 1.037 686 Q HN 0.574 nan 8.270 nan 0.000 0.511 687 I N 1.753 122.075 120.570 -0.413 0.000 2.710 687 I HA -0.061 4.201 4.170 0.153 0.000 0.286 687 I C 0.242 176.099 176.117 -0.434 0.000 1.181 687 I CA 0.223 61.193 61.300 -0.550 0.000 1.430 687 I CB 0.721 38.147 38.000 -0.956 0.000 1.367 687 I HN -0.067 nan 8.210 nan 0.000 0.577 688 T N 5.791 120.158 114.554 -0.311 0.000 2.751 688 T HA 0.048 4.490 4.350 0.153 0.000 0.290 688 T C 0.400 174.975 174.700 -0.208 0.000 0.919 688 T CA -0.227 61.753 62.100 -0.201 0.000 1.136 688 T CB 0.080 68.886 68.868 -0.103 0.000 0.875 688 T HN 0.553 nan 8.240 nan 0.000 0.532 689 S N 2.882 118.467 115.700 -0.192 0.000 2.525 689 S HA 0.391 4.953 4.470 0.153 0.000 0.285 689 S C 1.575 176.131 174.600 -0.074 0.000 1.283 689 S CA 0.474 58.583 58.200 -0.151 0.000 1.072 689 S CB 0.388 63.514 63.200 -0.122 0.000 0.867 689 S HN 1.101 nan 8.310 nan 0.000 0.492 690 G N 1.973 110.749 108.800 -0.041 0.000 2.176 690 G HA2 -0.236 3.816 3.960 0.153 0.000 0.253 690 G HA3 -0.236 3.816 3.960 0.153 0.000 0.253 690 G C 0.030 174.938 174.900 0.014 0.000 0.979 690 G CA -0.042 45.064 45.100 0.010 0.000 0.641 690 G HN 0.673 nan 8.290 nan 0.000 0.530 691 L N 2.023 123.246 121.223 0.001 0.000 2.593 691 L HA 0.432 4.864 4.340 0.153 0.000 0.287 691 L C 1.583 178.483 176.870 0.050 0.000 1.243 691 L CA 1.706 56.565 54.840 0.032 0.000 0.890 691 L CB 0.834 42.933 42.059 0.067 0.000 1.134 691 L HN 0.689 nan 8.230 nan 0.000 0.502 692 S N 2.380 118.107 115.700 0.046 0.000 2.559 692 S HA 0.395 4.957 4.470 0.153 0.000 0.226 692 S C -0.114 174.521 174.600 0.058 0.000 1.000 692 S CA -0.225 58.004 58.200 0.048 0.000 0.948 692 S CB 0.108 63.336 63.200 0.047 0.000 0.870 692 S HN 0.303 nan 8.310 nan 0.000 0.497 693 V N 2.364 122.312 119.914 0.057 0.000 2.697 693 V HA 0.404 4.616 4.120 0.153 0.000 0.300 693 V C -1.158 174.962 176.094 0.044 0.000 1.115 693 V CA -0.822 61.508 62.300 0.050 0.000 0.912 693 V CB 1.736 33.586 31.823 0.044 0.000 1.024 693 V HN 0.243 nan 8.190 nan 0.000 0.431 694 L N 7.696 128.930 121.223 0.019 0.000 2.367 694 L HA 0.466 4.897 4.340 0.153 0.000 0.275 694 L C -1.648 175.209 176.870 -0.021 0.000 1.129 694 L CA -1.433 53.395 54.840 -0.019 0.000 0.839 694 L CB 0.379 42.388 42.059 -0.084 0.000 1.133 694 L HN 0.469 nan 8.230 nan 0.000 0.453 695 P HA 0.031 nan 4.420 nan 0.000 0.269 695 P C -0.620 176.660 177.300 -0.034 0.000 1.209 695 P CA -0.307 62.784 63.100 -0.014 0.000 0.776 695 P CB 0.653 32.352 31.700 -0.001 0.000 0.876 696 V N 4.304 124.205 119.914 -0.023 0.000 2.352 696 V HA 0.088 4.300 4.120 0.153 0.000 0.253 696 V C 0.643 176.720 176.094 -0.028 0.000 1.083 696 V CA 0.072 62.356 62.300 -0.027 0.000 0.993 696 V CB -0.731 31.082 31.823 -0.017 0.000 1.111 696 V HN 0.321 nan 8.190 nan 0.000 0.490 697 L N 3.589 124.788 121.223 -0.040 0.000 2.295 697 L HA 0.503 4.935 4.340 0.153 0.000 0.285 697 L C 0.438 177.289 176.870 -0.032 0.000 1.035 697 L CA -0.613 54.205 54.840 -0.036 0.000 0.806 697 L CB 1.501 43.532 42.059 -0.047 0.000 1.214 697 L HN 0.361 nan 8.230 nan 0.000 0.426 698 D N 4.273 124.659 120.400 -0.023 0.000 2.608 698 D HA 0.084 4.816 4.640 0.153 0.000 0.224 698 D C -0.709 175.579 176.300 -0.020 0.000 1.123 698 D CA 0.161 54.148 54.000 -0.020 0.000 1.030 698 D CB -0.047 40.744 40.800 -0.015 0.000 1.093 698 D HN 0.663 nan 8.370 nan 0.000 0.497 699 N N 0.375 119.060 118.700 -0.026 0.000 2.494 699 N HA 0.258 5.090 4.740 0.153 0.000 0.270 699 N C -2.534 172.959 175.510 -0.027 0.000 1.285 699 N CA -1.393 51.642 53.050 -0.024 0.000 0.812 699 N CB 2.032 40.503 38.487 -0.025 0.000 1.557 699 N HN -0.282 nan 8.380 nan 0.000 0.487 700 P HA -0.138 nan 4.420 nan 0.000 0.216 700 P C 1.627 178.909 177.300 -0.030 0.000 1.153 700 P CA 0.663 63.750 63.100 -0.023 0.000 0.858 700 P CB 0.325 32.015 31.700 -0.017 0.000 0.789 701 L N -0.829 120.372 121.223 -0.036 0.000 2.109 701 L HA -0.065 4.367 4.340 0.153 0.000 0.207 701 L C 2.223 179.054 176.870 -0.065 0.000 1.086 701 L CA 2.069 56.881 54.840 -0.046 0.000 0.760 701 L CB -1.365 40.666 42.059 -0.047 0.000 0.910 701 L HN 0.027 nan 8.230 nan 0.000 0.437 702 S N -0.272 115.384 115.700 -0.072 0.000 2.368 702 S HA -0.173 4.389 4.470 0.153 0.000 0.224 702 S C 1.931 176.492 174.600 -0.066 0.000 1.029 702 S CA 1.104 59.250 58.200 -0.090 0.000 0.988 702 S CB 0.028 63.175 63.200 -0.087 0.000 0.838 702 S HN 0.434 nan 8.310 nan 0.000 0.462 703 K N 0.891 121.262 120.400 -0.048 0.000 2.032 703 K HA -0.129 4.283 4.320 0.153 0.000 0.209 703 K C 2.356 178.935 176.600 -0.034 0.000 1.048 703 K CA 1.447 57.712 56.287 -0.036 0.000 0.927 703 K CB -0.217 32.267 32.500 -0.027 0.000 0.712 703 K HN 0.338 nan 8.250 nan 0.000 0.441 704 K N 1.074 121.454 120.400 -0.034 0.000 2.057 704 K HA -0.126 4.286 4.320 0.153 0.000 0.207 704 K C 1.972 178.553 176.600 -0.032 0.000 1.049 704 K CA 1.188 57.457 56.287 -0.029 0.000 0.931 704 K CB 0.084 32.568 32.500 -0.026 0.000 0.714 704 K HN -0.075 nan 8.250 nan 0.000 0.440 705 V N 1.260 121.147 119.914 -0.045 0.000 2.358 705 V HA -0.176 4.036 4.120 0.153 0.000 0.246 705 V C 2.349 178.417 176.094 -0.044 0.000 1.047 705 V CA 1.695 63.967 62.300 -0.047 0.000 1.035 705 V CB -0.491 31.287 31.823 -0.074 0.000 0.658 705 V HN 0.325 nan 8.190 nan 0.000 0.452 706 R N 0.167 120.637 120.500 -0.050 0.000 2.092 706 R HA -0.076 4.356 4.340 0.153 0.000 0.231 706 R C 2.460 178.742 176.300 -0.031 0.000 1.119 706 R CA 1.360 57.435 56.100 -0.042 0.000 0.970 706 R CB -0.728 29.547 30.300 -0.041 0.000 0.864 706 R HN 0.594 nan 8.270 nan 0.000 0.440 707 G N 1.315 110.099 108.800 -0.028 0.000 2.404 707 G HA2 -0.252 3.800 3.960 0.153 0.000 0.215 707 G HA3 -0.252 3.800 3.960 0.153 0.000 0.215 707 G C 1.308 176.195 174.900 -0.021 0.000 1.174 707 G CA 0.284 45.371 45.100 -0.022 0.000 0.780 707 G HN 0.158 nan 8.290 nan 0.000 0.537 708 L N 0.967 122.179 121.223 -0.020 0.000 2.043 708 L HA -0.026 4.406 4.340 0.153 0.000 0.212 708 L C 2.689 179.546 176.870 -0.021 0.000 1.075 708 L CA 1.430 56.261 54.840 -0.014 0.000 0.752 708 L CB -0.497 41.558 42.059 -0.007 0.000 0.891 708 L HN 0.289 nan 8.230 nan 0.000 0.432 709 I N -0.565 119.988 120.570 -0.028 0.000 2.286 709 I HA -0.289 3.973 4.170 0.153 0.000 0.248 709 I C 1.982 178.061 176.117 -0.063 0.000 1.115 709 I CA 1.320 62.593 61.300 -0.045 0.000 1.392 709 I CB -0.499 37.473 38.000 -0.047 0.000 1.065 709 I HN 0.297 nan 8.210 nan 0.000 0.418 710 D N 0.369 120.741 120.400 -0.048 0.000 2.117 710 D HA -0.137 4.595 4.640 0.153 0.000 0.198 710 D C 2.387 178.661 176.300 -0.043 0.000 0.982 710 D CA 1.820 55.791 54.000 -0.047 0.000 0.828 710 D CB -0.222 40.563 40.800 -0.026 0.000 0.967 710 D HN 0.349 nan 8.370 nan 0.000 0.464 711 S N -0.062 115.619 115.700 -0.032 0.000 2.453 711 S HA -0.014 4.548 4.470 0.153 0.000 0.231 711 S C 2.188 176.770 174.600 -0.030 0.000 1.005 711 S CA 0.305 58.490 58.200 -0.026 0.000 0.949 711 S CB -0.448 62.742 63.200 -0.017 0.000 0.774 711 S HN 0.200 nan 8.310 nan 0.000 0.510 712 L N 0.650 121.852 121.223 -0.035 0.000 2.044 712 L HA 0.094 4.526 4.340 0.153 0.000 0.205 712 L C 3.133 179.969 176.870 -0.056 0.000 1.075 712 L CA 1.085 55.904 54.840 -0.034 0.000 0.747 712 L CB -0.418 41.624 42.059 -0.028 0.000 0.903 712 L HN 0.234 nan 8.230 nan 0.000 0.435 713 R N 0.093 120.537 120.500 -0.094 0.000 2.120 713 R HA -0.125 4.307 4.340 0.153 0.000 0.234 713 R C 2.297 178.552 176.300 -0.076 0.000 1.123 713 R CA 1.238 57.255 56.100 -0.138 0.000 0.975 713 R CB -0.368 29.779 30.300 -0.254 0.000 0.866 713 R HN 0.341 nan 8.270 nan 0.000 0.446 714 A N 1.343 124.133 122.820 -0.050 0.000 2.121 714 A HA -0.162 4.250 4.320 0.153 0.000 0.218 714 A C 1.701 179.274 177.584 -0.018 0.000 1.154 714 A CA 1.032 53.055 52.037 -0.023 0.000 0.679 714 A CB -0.180 18.808 19.000 -0.019 0.000 0.795 714 A HN 0.496 nan 8.150 nan 0.000 0.458 715 Q N -0.877 118.909 119.800 -0.024 0.000 2.198 715 Q HA 0.236 4.668 4.340 0.153 0.000 0.209 715 Q C -0.283 175.707 176.000 -0.017 0.000 0.848 715 Q CA -0.405 55.384 55.803 -0.022 0.000 0.974 715 Q CB 0.449 29.171 28.738 -0.026 0.000 1.115 715 Q HN 0.310 nan 8.270 nan 0.000 0.494 716 R N 0.370 120.863 120.500 -0.012 0.000 2.562 716 R HA 0.356 4.788 4.340 0.153 0.000 0.298 716 R C 0.299 176.611 176.300 0.019 0.000 0.961 716 R CA -0.508 55.591 56.100 -0.003 0.000 0.881 716 R CB 1.701 31.997 30.300 -0.008 0.000 1.159 716 R HN 0.021 nan 8.270 nan 0.000 0.450 717 S N 1.452 117.166 115.700 0.022 0.000 2.419 717 S HA -0.060 4.502 4.470 0.153 0.000 0.233 717 S C 0.600 175.265 174.600 0.108 0.000 1.016 717 S CA 1.222 59.453 58.200 0.051 0.000 0.974 717 S CB 0.045 63.259 63.200 0.024 0.000 0.786 717 S HN 0.314 nan 8.310 nan 0.000 0.492 718 R N -0.182 120.382 120.500 0.106 0.000 2.637 718 R HA 0.319 4.751 4.340 0.153 0.000 0.291 718 R C -1.133 175.290 176.300 0.205 0.000 0.963 718 R CA -0.731 55.486 56.100 0.196 0.000 0.901 718 R CB 1.163 31.565 30.300 0.170 0.000 1.160 718 R HN 0.233 nan 8.270 nan 0.000 0.457 719 Y N 3.358 123.754 120.300 0.159 0.000 2.677 719 Y HA 0.005 4.652 4.550 0.161 0.000 0.335 719 Y C -0.011 175.958 175.900 0.116 0.000 1.162 719 Y CA 0.399 58.578 58.100 0.131 0.000 1.483 719 Y CB 0.406 38.962 38.460 0.161 0.000 1.209 719 Y HN 0.386 nan 8.280 nan 0.000 0.528 720 M N 7.851 127.375 119.600 -0.126 0.000 2.120 720 M HA 0.147 4.719 4.480 0.153 0.000 0.354 720 M C -0.015 176.270 176.300 -0.026 0.000 1.287 720 M CA -0.161 55.111 55.300 -0.048 0.000 1.103 720 M CB 0.830 33.361 32.600 -0.114 0.000 1.623 720 M HN 0.577 nan 8.290 nan 0.000 0.471 721 K N 3.451 123.924 120.400 0.121 0.000 2.326 721 K HA 0.269 4.681 4.320 0.153 0.000 0.275 721 K C -1.184 175.378 176.600 -0.063 0.000 1.018 721 K CA -0.469 55.898 56.287 0.133 0.000 0.962 721 K CB 0.772 33.349 32.500 0.129 0.000 0.953 721 K HN 0.593 nan 8.250 nan 0.000 0.475 722 L N 2.955 124.159 121.223 -0.031 0.000 2.325 722 L HA 0.416 4.847 4.340 0.153 0.000 0.279 722 L C -1.078 175.732 176.870 -0.101 0.000 1.054 722 L CA 0.385 55.162 54.840 -0.105 0.000 0.804 722 L CB 1.983 44.025 42.059 -0.029 0.000 1.200 722 L HN 0.673 nan 8.230 nan 0.000 0.436 723 T N 3.997 118.458 114.554 -0.156 0.000 3.011 723 T HA 0.406 4.848 4.350 0.153 0.000 0.303 723 T C -0.913 173.828 174.700 0.069 0.000 0.997 723 T CA -0.377 61.704 62.100 -0.032 0.000 1.007 723 T CB 1.410 70.275 68.868 -0.005 0.000 1.017 723 T HN 0.379 nan 8.240 nan 0.000 0.443 724 V N 4.179 124.136 119.914 0.072 0.000 2.488 724 V HA 0.375 4.587 4.120 0.153 0.000 0.277 724 V C -0.009 176.092 176.094 0.011 0.000 1.046 724 V CA -0.328 62.015 62.300 0.071 0.000 0.986 724 V CB 1.370 33.242 31.823 0.080 0.000 0.989 724 V HN 0.685 nan 8.190 nan 0.000 0.475 725 V N 6.253 126.142 119.914 -0.042 0.000 2.378 725 V HA 0.382 4.594 4.120 0.153 0.000 0.288 725 V C 0.042 175.959 176.094 -0.294 0.000 1.016 725 V CA -1.037 61.184 62.300 -0.132 0.000 0.840 725 V CB 1.545 33.251 31.823 -0.196 0.000 0.994 725 V HN 0.813 nan 8.190 nan 0.000 0.431 726 K N 2.818 123.070 120.400 -0.246 0.000 2.205 726 K HA 0.262 4.674 4.320 0.153 0.000 0.279 726 K C 1.054 177.561 176.600 -0.155 0.000 1.027 726 K CA -0.364 55.782 56.287 -0.236 0.000 0.932 726 K CB 1.493 33.800 32.500 -0.322 0.000 1.032 726 K HN 0.706 nan 8.250 nan 0.000 0.466 727 Q N 1.692 121.371 119.800 -0.202 0.000 2.248 727 Q HA -0.274 4.158 4.340 0.153 0.000 0.208 727 Q C 0.812 176.868 176.000 0.094 0.000 0.984 727 Q CA 1.868 57.597 55.803 -0.124 0.000 0.875 727 Q CB 0.240 28.811 28.738 -0.278 0.000 0.910 727 Q HN 0.582 nan 8.270 nan 0.000 0.433 728 E N 0.108 120.378 120.200 0.118 0.000 2.075 728 E HA 0.057 4.499 4.350 0.153 0.000 0.190 728 E C -0.134 176.519 176.600 0.088 0.000 0.969 728 E CA 0.947 57.410 56.400 0.105 0.000 0.815 728 E CB 0.551 30.315 29.700 0.107 0.000 0.776 728 E HN 0.332 nan 8.360 nan 0.000 0.457 729 D N -1.468 118.973 120.400 0.067 0.000 2.732 729 D HA 0.281 5.013 4.640 0.153 0.000 0.292 729 D C -0.146 176.184 176.300 0.050 0.000 1.135 729 D CA -0.479 53.556 54.000 0.057 0.000 1.071 729 D CB 1.757 42.580 40.800 0.039 0.000 1.457 729 D HN -0.116 nan 8.370 nan 0.000 0.547 730 K N -0.903 119.528 120.400 0.051 0.000 2.768 730 K HA -0.239 4.173 4.320 0.153 0.000 0.347 730 K C 1.591 178.241 176.600 0.082 0.000 1.714 730 K CA 1.309 57.627 56.287 0.053 0.000 0.617 730 K CB -1.251 31.268 32.500 0.031 0.000 0.986 730 K HN 0.617 nan 8.250 nan 0.000 0.668 731 M N 0.750 120.405 119.600 0.092 0.000 2.610 731 M HA -0.165 4.407 4.480 0.153 0.000 0.257 731 M C 1.667 178.075 176.300 0.180 0.000 1.070 731 M CA 2.409 57.792 55.300 0.139 0.000 1.047 731 M CB -0.593 32.099 32.600 0.153 0.000 1.386 731 M HN 0.523 nan 8.290 nan 0.000 0.493 732 E N 2.720 123.018 120.200 0.163 0.000 2.070 732 E HA -0.250 4.192 4.350 0.153 0.000 0.197 732 E C 2.089 178.847 176.600 0.264 0.000 1.004 732 E CA 2.815 59.356 56.400 0.235 0.000 0.805 732 E CB -0.483 29.337 29.700 0.200 0.000 0.744 732 E HN 0.846 nan 8.360 nan 0.000 0.451 733 M N -0.590 119.115 119.600 0.175 0.000 2.159 733 M HA -0.092 4.480 4.480 0.153 0.000 0.263 733 M C 2.100 178.475 176.300 0.125 0.000 1.063 733 M CA 1.617 56.995 55.300 0.131 0.000 1.110 733 M CB -0.546 32.107 32.600 0.087 0.000 1.374 733 M HN 0.068 nan 8.290 nan 0.000 0.411 734 L N -0.601 120.713 121.223 0.151 0.000 2.201 734 L HA -0.069 4.363 4.340 0.153 0.000 0.212 734 L C 2.603 179.592 176.870 0.199 0.000 1.105 734 L CA 0.933 55.858 54.840 0.141 0.000 0.775 734 L CB -0.781 41.381 42.059 0.172 0.000 0.913 734 L HN 0.284 nan 8.230 nan 0.000 0.440 735 F N 1.302 121.300 119.950 0.081 0.000 2.293 735 F HA -0.144 4.460 4.527 0.129 0.000 0.300 735 F C 2.266 178.105 175.800 0.065 0.000 1.086 735 F CA 1.162 59.188 58.000 0.044 0.000 1.375 735 F CB -0.043 38.954 39.000 -0.005 0.000 1.045 735 F HN -0.176 nan 8.300 nan 0.000 0.516 736 K N -0.056 120.336 120.400 -0.013 0.000 2.113 736 K HA -0.247 4.165 4.320 0.153 0.000 0.208 736 K C 2.306 178.737 176.600 -0.280 0.000 1.047 736 K CA 1.610 57.804 56.287 -0.155 0.000 0.928 736 K CB -1.005 31.475 32.500 -0.034 0.000 0.716 736 K HN 0.459 nan 8.250 nan 0.000 0.446 737 H N -1.102 117.745 119.070 -0.372 0.000 2.518 737 H HA -0.125 4.525 4.556 0.157 0.000 0.292 737 H C 0.710 175.587 175.328 -0.752 0.000 1.068 737 H CA 1.276 56.998 56.048 -0.543 0.000 1.275 737 H CB 0.084 29.474 29.762 -0.620 0.000 1.375 737 H HN 0.200 nan 8.280 nan 0.000 0.563 738 F N 0.159 119.766 119.950 -0.572 0.000 2.776 738 F HA 0.163 4.781 4.527 0.153 0.000 0.300 738 F C 1.174 176.579 175.800 -0.659 0.000 1.116 738 F CA 0.005 57.623 58.000 -0.635 0.000 1.375 738 F CB 0.380 39.008 39.000 -0.621 0.000 1.109 738 F HN -0.021 nan 8.300 nan 0.000 0.585 739 L N 1.586 122.495 121.223 -0.524 0.000 2.719 739 L HA 0.130 4.562 4.340 0.153 0.000 0.236 739 L C 1.681 178.315 176.870 -0.393 0.000 1.285 739 L CA -0.385 54.181 54.840 -0.457 0.000 1.222 739 L CB -0.004 41.800 42.059 -0.426 0.000 1.493 739 L HN 0.078 nan 8.230 nan 0.000 0.415 740 V N -2.326 117.314 119.914 -0.457 0.000 2.736 740 V HA -0.267 3.945 4.120 0.153 0.000 0.262 740 V C 1.623 177.574 176.094 -0.239 0.000 1.114 740 V CA 1.708 63.771 62.300 -0.394 0.000 1.133 740 V CB -0.520 31.043 31.823 -0.433 0.000 0.703 740 V HN 0.707 nan 8.190 nan 0.000 0.495 741 E N 0.069 120.157 120.200 -0.187 0.000 2.478 741 E HA 0.065 4.507 4.350 0.153 0.000 0.194 741 E C 0.183 176.774 176.600 -0.016 0.000 1.045 741 E CA 0.092 56.473 56.400 -0.033 0.000 0.868 741 E CB 0.153 29.863 29.700 0.018 0.000 0.885 741 E HN 0.742 nan 8.360 nan 0.000 0.505 742 D N 0.740 121.084 120.400 -0.093 0.000 2.437 742 D HA 0.178 4.910 4.640 0.153 0.000 0.259 742 D C -0.107 176.153 176.300 -0.067 0.000 1.118 742 D CA -0.344 53.611 54.000 -0.075 0.000 1.017 742 D CB 0.843 41.577 40.800 -0.111 0.000 1.120 742 D HN -0.260 nan 8.370 nan 0.000 0.541 743 K N -0.116 120.256 120.400 -0.047 0.000 2.270 743 K HA 0.368 4.780 4.320 0.153 0.000 0.276 743 K C 0.065 176.634 176.600 -0.050 0.000 1.023 743 K CA -0.353 55.913 56.287 -0.036 0.000 0.955 743 K CB 0.765 33.253 32.500 -0.019 0.000 0.975 743 K HN 0.374 nan 8.250 nan 0.000 0.471 744 S N 1.582 117.255 115.700 -0.045 0.000 2.621 744 S HA 0.375 4.937 4.470 0.153 0.000 0.302 744 S C 0.760 175.348 174.600 -0.019 0.000 1.093 744 S CA -0.907 57.270 58.200 -0.039 0.000 1.017 744 S CB 0.807 63.985 63.200 -0.036 0.000 1.077 744 S HN 0.507 nan 8.310 nan 0.000 0.517 745 L N 1.286 122.502 121.223 -0.012 0.000 2.376 745 L HA 0.019 4.451 4.340 0.153 0.000 0.219 745 L C 1.955 178.822 176.870 -0.006 0.000 1.133 745 L CA 0.592 55.428 54.840 -0.005 0.000 0.816 745 L CB -0.416 41.643 42.059 -0.000 0.000 0.933 745 L HN 0.731 nan 8.230 nan 0.000 0.449 746 S N 0.112 115.808 115.700 -0.008 0.000 2.660 746 S HA 0.152 4.714 4.470 0.153 0.000 0.223 746 S C 1.292 175.888 174.600 -0.005 0.000 0.963 746 S CA 0.644 58.839 58.200 -0.008 0.000 0.932 746 S CB 0.006 63.200 63.200 -0.009 0.000 0.775 746 S HN 0.616 nan 8.310 nan 0.000 0.531 747 G N 1.210 110.006 108.800 -0.006 0.000 2.255 747 G HA2 -0.100 3.952 3.960 0.153 0.000 0.239 747 G HA3 -0.100 3.952 3.960 0.153 0.000 0.239 747 G C 0.175 175.069 174.900 -0.010 0.000 1.083 747 G CA -0.407 44.689 45.100 -0.006 0.000 0.826 747 G HN 0.774 nan 8.290 nan 0.000 0.493 748 G N -0.812 107.979 108.800 -0.016 0.000 2.537 748 G HA2 0.872 4.924 3.960 0.153 0.000 0.273 748 G HA3 0.872 4.924 3.960 0.153 0.000 0.273 748 G C 0.420 175.310 174.900 -0.018 0.000 1.189 748 G CA 0.412 45.495 45.100 -0.028 0.000 0.881 748 G HN 1.513 nan 8.290 nan 0.000 0.535 749 A N -0.167 122.645 122.820 -0.013 0.000 2.352 749 A HA 0.857 5.269 4.320 0.153 0.000 0.299 749 A C 0.436 178.033 177.584 0.021 0.000 1.160 749 A CA 0.045 52.099 52.037 0.027 0.000 0.933 749 A CB 1.213 20.273 19.000 0.101 0.000 1.387 749 A HN 1.639 nan 8.150 nan 0.000 0.487 750 S N -1.848 113.886 115.700 0.057 0.000 2.568 750 S HA 0.420 4.982 4.470 0.153 0.000 0.302 750 S C 0.707 175.393 174.600 0.144 0.000 1.082 750 S CA -0.331 57.906 58.200 0.062 0.000 1.009 750 S CB 0.744 63.963 63.200 0.032 0.000 1.069 750 S HN 1.000 nan 8.310 nan 0.000 0.500 751 Y N 4.099 124.418 120.300 0.031 0.000 2.002 751 Y HA -0.225 4.422 4.550 0.161 0.000 0.268 751 Y C 2.070 178.051 175.900 0.135 0.000 1.177 751 Y CA 2.603 60.755 58.100 0.087 0.000 1.111 751 Y CB -1.168 37.320 38.460 0.047 0.000 0.952 751 Y HN 0.514 nan 8.280 nan 0.000 0.491 752 V N 1.028 120.810 119.914 -0.221 0.000 2.250 752 V HA -0.384 3.828 4.120 0.153 0.000 0.250 752 V C 2.201 178.185 176.094 -0.182 0.000 1.060 752 V CA 2.465 64.585 62.300 -0.300 0.000 1.030 752 V CB -0.754 30.998 31.823 -0.117 0.000 0.643 752 V HN 0.476 nan 8.190 nan 0.000 0.445 753 D N -1.191 119.177 120.400 -0.053 0.000 2.219 753 D HA -0.134 4.598 4.640 0.153 0.000 0.205 753 D C 1.854 178.175 176.300 0.036 0.000 0.970 753 D CA 1.021 55.016 54.000 -0.008 0.000 0.851 753 D CB -0.176 40.636 40.800 0.021 0.000 0.943 753 D HN 0.515 nan 8.370 nan 0.000 0.488 754 F N 1.414 121.318 119.950 -0.077 0.000 2.206 754 F HA -0.035 4.585 4.527 0.156 0.000 0.298 754 F C 2.087 177.880 175.800 -0.013 0.000 1.090 754 F CA 0.703 58.687 58.000 -0.026 0.000 1.323 754 F CB -0.192 38.821 39.000 0.021 0.000 1.028 754 F HN -0.153 nan 8.300 nan 0.000 0.492 755 L N -0.721 120.417 121.223 -0.141 0.000 1.994 755 L HA -0.291 4.141 4.340 0.153 0.000 0.208 755 L C 2.831 179.611 176.870 -0.151 0.000 1.071 755 L CA 1.781 56.496 54.840 -0.207 0.000 0.745 755 L CB -0.848 41.008 42.059 -0.338 0.000 0.892 755 L HN 0.429 nan 8.230 nan 0.000 0.431 756 C N -0.553 118.672 119.300 -0.125 0.000 2.401 756 C HA -0.280 4.272 4.460 0.153 0.000 0.276 756 C C 2.931 177.902 174.990 -0.031 0.000 1.233 756 C CA 1.454 60.427 59.018 -0.075 0.000 1.753 756 C CB -1.164 26.535 27.740 -0.068 0.000 2.029 756 C HN 0.606 nan 8.230 nan 0.000 0.478 757 H N -0.304 118.666 119.070 -0.166 0.000 2.357 757 H HA -0.130 4.518 4.556 0.153 0.000 0.301 757 H C 2.170 177.355 175.328 -0.237 0.000 1.082 757 H CA 2.209 58.148 56.048 -0.182 0.000 1.342 757 H CB -0.505 29.136 29.762 -0.202 0.000 1.389 757 H HN 0.512 nan 8.280 nan 0.000 0.511 758 M N 0.271 119.729 119.600 -0.238 0.000 2.175 758 M HA -0.148 4.424 4.480 0.153 0.000 0.264 758 M C 2.360 178.559 176.300 -0.169 0.000 1.063 758 M CA 1.574 56.716 55.300 -0.265 0.000 1.119 758 M CB -0.901 31.473 32.600 -0.377 0.000 1.377 758 M HN 0.315 nan 8.290 nan 0.000 0.415 759 H N 0.169 119.127 119.070 -0.187 0.000 2.387 759 H HA -0.128 4.520 4.556 0.153 0.000 0.299 759 H C 1.502 176.744 175.328 -0.143 0.000 1.090 759 H CA 1.882 57.849 56.048 -0.136 0.000 1.332 759 H CB 0.099 29.792 29.762 -0.114 0.000 1.386 759 H HN 0.439 nan 8.280 nan 0.000 0.516 760 K N 0.044 120.367 120.400 -0.128 0.000 2.228 760 K HA -0.090 4.322 4.320 0.153 0.000 0.202 760 K C 2.134 178.585 176.600 -0.248 0.000 1.051 760 K CA 0.850 57.032 56.287 -0.175 0.000 0.960 760 K CB 0.245 32.656 32.500 -0.149 0.000 0.743 760 K HN 0.168 nan 8.250 nan 0.000 0.458 761 E N 1.572 121.594 120.200 -0.296 0.000 2.072 761 E HA -0.089 4.353 4.350 0.153 0.000 0.191 761 E C 1.595 178.092 176.600 -0.173 0.000 0.985 761 E CA 1.026 57.281 56.400 -0.242 0.000 0.801 761 E CB -0.041 29.527 29.700 -0.221 0.000 0.750 761 E HN 0.214 nan 8.360 nan 0.000 0.452 762 I N 0.102 120.557 120.570 -0.192 0.000 2.614 762 I HA -0.168 4.094 4.170 0.153 0.000 0.258 762 I C 2.313 178.321 176.117 -0.181 0.000 1.189 762 I CA 0.542 61.742 61.300 -0.166 0.000 1.462 762 I CB -0.112 37.779 38.000 -0.182 0.000 1.092 762 I HN 0.038 nan 8.210 nan 0.000 0.442 763 R N 1.430 121.792 120.500 -0.229 0.000 2.066 763 R HA -0.140 4.292 4.340 0.153 0.000 0.232 763 R C 2.109 178.335 176.300 -0.123 0.000 1.131 763 R CA 1.650 57.637 56.100 -0.190 0.000 0.955 763 R CB -0.458 29.725 30.300 -0.195 0.000 0.851 763 R HN 0.361 nan 8.270 nan 0.000 0.432 764 Q N -0.216 119.514 119.800 -0.118 0.000 2.364 764 Q HA -0.069 4.363 4.340 0.153 0.000 0.209 764 Q C 1.800 177.760 176.000 -0.068 0.000 0.977 764 Q CA 1.102 56.854 55.803 -0.085 0.000 0.885 764 Q CB -0.003 28.683 28.738 -0.086 0.000 0.941 764 Q HN 0.351 nan 8.270 nan 0.000 0.464 765 L N -0.437 120.742 121.223 -0.073 0.000 2.307 765 L HA -0.009 4.423 4.340 0.153 0.000 0.211 765 L C 1.404 178.243 176.870 -0.050 0.000 1.099 765 L CA 0.549 55.357 54.840 -0.054 0.000 0.816 765 L CB 0.208 42.237 42.059 -0.050 0.000 0.952 765 L HN 0.206 nan 8.230 nan 0.000 0.455 766 L N -1.725 119.460 121.223 -0.063 0.000 2.910 766 L HA 0.273 4.705 4.340 0.153 0.000 0.252 766 L C 0.202 177.040 176.870 -0.053 0.000 1.195 766 L CA -0.086 54.719 54.840 -0.057 0.000 1.003 766 L CB 0.281 42.300 42.059 -0.067 0.000 1.328 766 L HN 0.012 nan 8.230 nan 0.000 0.540 767 S N 0.000 115.669 115.700 -0.052 0.000 2.498 767 S HA 0.000 4.562 4.470 0.153 0.000 0.327 767 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 767 S CB 0.000 63.170 63.200 -0.051 0.000 0.593 767 S HN 0.000 nan 8.310 nan 0.000 0.517