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 1m6v_1_C DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVINVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPSXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.264 176.300 -0.060 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 P HA 0.267 nan 4.420 nan 0.000 0.329 2 P C -0.744 176.210 177.300 -0.577 0.000 1.319 2 P CA -0.507 62.423 63.100 -0.284 0.000 0.742 2 P CB 0.218 31.848 31.700 -0.118 0.000 1.564 3 K N 0.678 120.627 120.400 -0.751 0.000 2.412 3 K HA 0.110 4.430 4.320 0.001 0.000 0.281 3 K C 0.046 176.566 176.600 -0.133 0.000 1.027 3 K CA -0.086 55.897 56.287 -0.508 0.000 0.989 3 K CB 0.367 32.726 32.500 -0.236 0.000 0.935 3 K HN 0.180 nan 8.250 nan 0.000 0.475 4 R N 1.880 122.366 120.500 -0.022 0.000 2.538 4 R HA -0.064 4.276 4.340 0.001 0.000 0.282 4 R C 1.082 177.442 176.300 0.099 0.000 1.009 4 R CA 0.921 57.045 56.100 0.040 0.000 1.063 4 R CB 0.470 30.797 30.300 0.046 0.000 0.945 4 R HN 0.979 nan 8.270 nan 0.000 0.414 5 T N -2.036 112.545 114.554 0.045 0.000 3.037 5 T HA -0.056 4.295 4.350 0.001 0.000 0.252 5 T C 1.004 175.734 174.700 0.049 0.000 1.073 5 T CA 0.403 62.524 62.100 0.036 0.000 1.091 5 T CB 0.141 69.011 68.868 0.004 0.000 0.935 5 T HN 0.664 nan 8.240 nan 0.000 0.488 6 D N 1.170 121.600 120.400 0.050 0.000 2.363 6 D HA 0.117 4.757 4.640 0.001 0.000 0.226 6 D C 0.377 176.719 176.300 0.069 0.000 1.020 6 D CA -0.073 53.955 54.000 0.047 0.000 0.892 6 D CB -0.405 40.414 40.800 0.032 0.000 0.900 6 D HN 0.497 nan 8.370 nan 0.000 0.531 7 I N -0.314 120.325 120.570 0.115 0.000 2.498 7 I HA 0.273 4.443 4.170 0.001 0.000 0.290 7 I C 0.763 177.034 176.117 0.256 0.000 1.032 7 I CA -0.697 60.696 61.300 0.156 0.000 1.073 7 I CB 2.378 40.456 38.000 0.130 0.000 1.251 7 I HN -0.325 nan 8.210 nan 0.000 0.426 8 K N 2.212 122.735 120.400 0.206 0.000 2.511 8 K HA 0.180 4.500 4.320 0.001 0.000 0.206 8 K C 0.088 176.833 176.600 0.242 0.000 1.333 8 K CA 0.149 56.559 56.287 0.205 0.000 0.957 8 K CB 0.969 33.520 32.500 0.086 0.000 1.172 8 K HN 0.659 nan 8.250 nan 0.000 0.547 9 S N 0.823 116.627 115.700 0.172 0.000 2.521 9 S HA 0.672 5.143 4.470 0.001 0.000 0.295 9 S C -0.539 174.113 174.600 0.087 0.000 1.098 9 S CA -0.871 57.405 58.200 0.127 0.000 0.999 9 S CB 1.297 64.550 63.200 0.088 0.000 1.034 9 S HN 0.099 nan 8.310 nan 0.000 0.483 10 I N 2.641 123.252 120.570 0.067 0.000 2.582 10 I HA 0.450 4.620 4.170 0.001 0.000 0.292 10 I C -1.273 174.859 176.117 0.026 0.000 1.066 10 I CA -0.974 60.337 61.300 0.019 0.000 1.053 10 I CB 2.055 40.031 38.000 -0.041 0.000 1.241 10 I HN 0.604 nan 8.210 nan 0.000 0.421 11 L N 7.548 128.780 121.223 0.015 0.000 2.272 11 L HA 0.608 4.949 4.340 0.001 0.000 0.289 11 L C -0.903 175.972 176.870 0.008 0.000 1.032 11 L CA 0.038 54.889 54.840 0.019 0.000 0.810 11 L CB 0.791 42.854 42.059 0.006 0.000 1.205 11 L HN 0.426 nan 8.230 nan 0.000 0.422 12 I N 6.219 126.798 120.570 0.015 0.000 2.330 12 I HA 0.262 4.433 4.170 0.001 0.000 0.289 12 I C -0.376 175.746 176.117 0.008 0.000 1.001 12 I CA -0.566 60.738 61.300 0.007 0.000 1.193 12 I CB 1.301 39.306 38.000 0.009 0.000 1.345 12 I HN 0.441 nan 8.210 nan 0.000 0.461 13 L N 6.377 127.597 121.223 -0.005 0.000 2.385 13 L HA 0.280 4.620 4.340 0.001 0.000 0.281 13 L C 1.081 177.938 176.870 -0.022 0.000 1.106 13 L CA -0.102 54.730 54.840 -0.014 0.000 0.856 13 L CB 0.314 42.357 42.059 -0.026 0.000 1.186 13 L HN 0.715 nan 8.230 nan 0.000 0.453 14 G N 2.083 110.877 108.800 -0.010 0.000 2.616 14 G HA2 0.352 4.312 3.960 0.001 0.000 0.268 14 G HA3 0.352 4.312 3.960 0.001 0.000 0.268 14 G C 0.737 175.610 174.900 -0.045 0.000 1.213 14 G CA 0.191 45.287 45.100 -0.007 0.000 0.926 14 G HN 0.774 nan 8.290 nan 0.000 0.523 15 A N -1.159 121.637 122.820 -0.039 0.000 2.147 15 A HA 0.584 4.904 4.320 0.001 0.000 0.211 15 A C 1.503 179.061 177.584 -0.044 0.000 1.160 15 A CA 1.425 53.405 52.037 -0.095 0.000 0.781 15 A CB -0.747 18.180 19.000 -0.123 0.000 0.842 15 A HN 2.532 nan 8.150 nan 0.000 0.475 16 G N -0.595 108.199 108.800 -0.010 0.000 2.660 16 G HA2 -0.060 3.900 3.960 0.001 0.000 0.247 16 G HA3 -0.060 3.900 3.960 0.001 0.000 0.247 16 G C -3.041 171.860 174.900 0.003 0.000 1.328 16 G CA -0.442 44.652 45.100 -0.010 0.000 0.884 16 G HN 0.356 nan 8.290 nan 0.000 0.531 17 P HA 0.387 nan 4.420 nan 0.000 0.269 17 P C 0.335 177.635 177.300 -0.000 0.000 1.215 17 P CA -0.205 62.886 63.100 -0.016 0.000 0.780 17 P CB 0.425 32.103 31.700 -0.038 0.000 0.898 18 I N 2.274 122.845 120.570 0.002 0.000 2.496 18 I HA 0.133 4.303 4.170 0.001 0.000 0.285 18 I C 0.920 177.032 176.117 -0.008 0.000 1.080 18 I CA -0.073 61.236 61.300 0.016 0.000 1.404 18 I CB 0.525 38.532 38.000 0.012 0.000 1.403 18 I HN 0.219 nan 8.210 nan 0.000 0.539 19 V N 4.733 124.644 119.914 -0.004 0.000 3.160 19 V HA 0.554 4.674 4.120 0.001 0.000 0.310 19 V C -0.038 176.031 176.094 -0.042 0.000 1.181 19 V CA -1.191 61.088 62.300 -0.035 0.000 1.047 19 V CB 2.089 33.884 31.823 -0.046 0.000 1.068 19 V HN 0.458 nan 8.190 nan 0.000 0.441 20 I N 2.144 122.666 120.570 -0.080 0.000 2.668 20 I HA 0.422 4.592 4.170 0.001 0.000 0.285 20 I C 1.533 177.592 176.117 -0.097 0.000 1.168 20 I CA 1.955 63.194 61.300 -0.101 0.000 1.424 20 I CB 0.554 38.460 38.000 -0.157 0.000 1.377 20 I HN 1.253 nan 8.210 nan 0.000 0.560 21 G N 4.810 113.562 108.800 -0.079 0.000 2.258 21 G HA2 -0.290 3.671 3.960 0.001 0.000 0.233 21 G HA3 -0.290 3.671 3.960 0.001 0.000 0.233 21 G C 0.320 175.250 174.900 0.048 0.000 1.006 21 G CA 0.121 45.185 45.100 -0.059 0.000 0.620 21 G HN 0.601 nan 8.290 nan 0.000 0.511 22 Q N 0.246 120.094 119.800 0.080 0.000 3.255 22 Q HA 0.688 5.029 4.340 0.001 0.000 0.231 22 Q C 0.149 176.272 176.000 0.205 0.000 0.935 22 Q CA 0.400 56.347 55.803 0.241 0.000 0.714 22 Q CB 0.655 29.486 28.738 0.156 0.000 1.345 22 Q HN 0.888 nan 8.270 nan 0.000 0.463 23 A N 0.314 123.219 122.820 0.142 0.000 3.521 23 A HA 0.378 4.698 4.320 0.001 0.000 0.181 23 A C 1.160 178.773 177.584 0.048 0.000 1.386 23 A CA -0.198 51.877 52.037 0.064 0.000 0.873 23 A CB -0.325 18.669 19.000 -0.010 0.000 1.634 23 A HN 0.819 nan 8.150 nan 0.000 0.551 24 C N 1.048 120.349 119.300 0.002 0.000 2.398 24 C HA -0.151 4.310 4.460 0.001 0.000 0.279 24 C C 2.598 177.574 174.990 -0.023 0.000 1.250 24 C CA 1.276 60.301 59.018 0.011 0.000 1.786 24 C CB -1.479 26.266 27.740 0.008 0.000 2.018 24 C HN 0.869 nan 8.230 nan 0.000 0.494 25 E N 1.522 121.610 120.200 -0.187 0.000 2.187 25 E HA -0.253 4.098 4.350 0.001 0.000 0.199 25 E C 1.530 177.959 176.600 -0.285 0.000 1.004 25 E CA 1.728 57.959 56.400 -0.283 0.000 0.813 25 E CB -0.918 28.474 29.700 -0.513 0.000 0.736 25 E HN 0.743 nan 8.360 nan 0.000 0.468 26 F N 1.222 121.229 119.950 0.096 0.000 2.710 26 F HA 0.056 4.584 4.527 0.001 0.000 0.298 26 F C 2.076 177.912 175.800 0.060 0.000 1.137 26 F CA 0.672 58.712 58.000 0.066 0.000 1.444 26 F CB -0.007 39.016 39.000 0.038 0.000 1.111 26 F HN 0.014 nan 8.300 nan 0.000 0.580 27 D N -0.451 120.071 120.400 0.203 0.000 2.183 27 D HA -0.202 4.439 4.640 0.001 0.000 0.205 27 D C 2.065 178.450 176.300 0.141 0.000 0.962 27 D CA 0.863 54.956 54.000 0.154 0.000 0.849 27 D CB -0.236 40.643 40.800 0.132 0.000 0.978 27 D HN 0.307 nan 8.370 nan 0.000 0.488 28 Y N 0.793 121.104 120.300 0.018 0.000 2.145 28 Y HA -0.110 4.440 4.550 0.001 0.000 0.286 28 Y C 2.262 178.168 175.900 0.011 0.000 1.145 28 Y CA 1.972 60.069 58.100 -0.006 0.000 1.148 28 Y CB -0.555 37.884 38.460 -0.035 0.000 0.981 28 Y HN -0.105 nan 8.280 nan 0.000 0.507 29 S N 0.171 115.791 115.700 -0.134 0.000 2.355 29 S HA -0.082 4.388 4.470 0.001 0.000 0.222 29 S C 2.212 176.757 174.600 -0.091 0.000 1.031 29 S CA 1.119 59.198 58.200 -0.203 0.000 0.993 29 S CB -1.069 62.160 63.200 0.048 0.000 0.859 29 S HN 0.737 nan 8.310 nan 0.000 0.453 30 G N 1.246 110.060 108.800 0.024 0.000 2.422 30 G HA2 -0.075 3.885 3.960 0.001 0.000 0.218 30 G HA3 -0.075 3.885 3.960 0.001 0.000 0.218 30 G C 1.523 176.416 174.900 -0.011 0.000 1.146 30 G CA 0.950 46.066 45.100 0.027 0.000 0.769 30 G HN 0.562 nan 8.290 nan 0.000 0.547 31 A N 0.242 123.046 122.820 -0.026 0.000 1.898 31 A HA -0.053 4.268 4.320 0.001 0.000 0.216 31 A C 2.312 179.849 177.584 -0.079 0.000 1.181 31 A CA 1.834 53.851 52.037 -0.033 0.000 0.620 31 A CB -0.414 18.580 19.000 -0.011 0.000 0.819 31 A HN 0.433 nan 8.150 nan 0.000 0.442 32 Q N -0.643 119.056 119.800 -0.168 0.000 2.030 32 Q HA -0.179 4.161 4.340 0.001 0.000 0.204 32 Q C 2.512 178.453 176.000 -0.100 0.000 0.986 32 Q CA 1.521 57.213 55.803 -0.186 0.000 0.843 32 Q CB -0.422 28.116 28.738 -0.334 0.000 0.904 32 Q HN 0.681 nan 8.270 nan 0.000 0.420 33 A N 0.526 123.299 122.820 -0.078 0.000 1.873 33 A HA -0.254 4.066 4.320 0.001 0.000 0.218 33 A C 2.418 179.991 177.584 -0.018 0.000 1.193 33 A CA 1.669 53.684 52.037 -0.037 0.000 0.629 33 A CB -1.223 17.764 19.000 -0.022 0.000 0.826 33 A HN 0.536 nan 8.150 nan 0.000 0.447 34 C N -0.881 118.411 119.300 -0.013 0.000 2.393 34 C HA -0.135 4.325 4.460 0.001 0.000 0.276 34 C C 2.754 177.750 174.990 0.012 0.000 1.215 34 C CA 1.545 60.566 59.018 0.005 0.000 1.743 34 C CB -1.071 26.674 27.740 0.008 0.000 2.044 34 C HN 0.752 nan 8.230 nan 0.000 0.464 35 K N 0.824 121.221 120.400 -0.005 0.000 2.032 35 K HA -0.165 4.155 4.320 0.001 0.000 0.209 35 K C 2.140 178.745 176.600 0.009 0.000 1.048 35 K CA 1.718 58.004 56.287 -0.002 0.000 0.927 35 K CB -0.349 32.136 32.500 -0.025 0.000 0.712 35 K HN 0.418 nan 8.250 nan 0.000 0.441 36 A N 1.262 124.081 122.820 -0.001 0.000 1.883 36 A HA -0.155 4.166 4.320 0.001 0.000 0.217 36 A C 2.136 179.758 177.584 0.065 0.000 1.186 36 A CA 1.599 53.644 52.037 0.012 0.000 0.624 36 A CB -0.684 18.312 19.000 -0.007 0.000 0.822 36 A HN 0.335 nan 8.150 nan 0.000 0.444 37 L N -1.330 119.936 121.223 0.072 0.000 2.109 37 L HA -0.113 4.227 4.340 0.001 0.000 0.207 37 L C 2.781 179.782 176.870 0.219 0.000 1.086 37 L CA 1.534 56.460 54.840 0.144 0.000 0.760 37 L CB -0.554 41.532 42.059 0.046 0.000 0.910 37 L HN 0.447 nan 8.230 nan 0.000 0.437 38 R N 0.828 121.402 120.500 0.123 0.000 2.081 38 R HA -0.184 4.157 4.340 0.001 0.000 0.235 38 R C 2.085 178.436 176.300 0.085 0.000 1.131 38 R CA 1.613 57.773 56.100 0.099 0.000 0.960 38 R CB -0.091 30.243 30.300 0.058 0.000 0.856 38 R HN 0.399 nan 8.270 nan 0.000 0.436 39 E N 0.159 120.401 120.200 0.071 0.000 2.085 39 E HA -0.173 4.177 4.350 0.001 0.000 0.194 39 E C 1.154 177.794 176.600 0.067 0.000 0.994 39 E CA 1.108 57.537 56.400 0.049 0.000 0.801 39 E CB 0.062 29.780 29.700 0.030 0.000 0.743 39 E HN 0.321 nan 8.360 nan 0.000 0.453 40 E N -0.174 120.108 120.200 0.137 0.000 2.416 40 E HA 0.033 4.383 4.350 0.001 0.000 0.189 40 E C 0.540 177.157 176.600 0.028 0.000 1.091 40 E CA 0.436 56.946 56.400 0.184 0.000 0.889 40 E CB 0.119 30.072 29.700 0.422 0.000 1.015 40 E HN 0.367 nan 8.360 nan 0.000 0.479 41 G N 1.404 110.208 108.800 0.007 0.000 2.338 41 G HA2 -0.308 3.653 3.960 0.001 0.000 0.296 41 G HA3 -0.308 3.653 3.960 0.001 0.000 0.296 41 G C -0.353 174.415 174.900 -0.220 0.000 1.040 41 G CA 0.444 45.486 45.100 -0.097 0.000 1.004 41 G HN 0.251 nan 8.290 nan 0.000 0.509 42 Y N -1.367 118.956 120.300 0.038 0.000 2.534 42 Y HA 0.653 5.204 4.550 0.001 0.000 0.329 42 Y C 0.968 176.885 175.900 0.027 0.000 1.154 42 Y CA -1.173 56.948 58.100 0.034 0.000 1.192 42 Y CB 1.159 39.643 38.460 0.040 0.000 1.275 42 Y HN 0.153 nan 8.280 nan 0.000 0.491 43 R N 1.443 122.067 120.500 0.207 0.000 2.207 43 R HA 0.519 4.860 4.340 0.001 0.000 0.334 43 R C -1.796 174.572 176.300 0.113 0.000 1.013 43 R CA -0.444 55.728 56.100 0.120 0.000 0.858 43 R CB 0.372 30.723 30.300 0.085 0.000 1.094 43 R HN 0.528 nan 8.270 nan 0.000 0.457 44 V N 6.758 126.723 119.914 0.086 0.000 2.364 44 V HA 0.383 4.504 4.120 0.001 0.000 0.272 44 V C 0.136 176.259 176.094 0.049 0.000 1.036 44 V CA -0.618 61.720 62.300 0.064 0.000 0.880 44 V CB 1.013 32.869 31.823 0.056 0.000 0.991 44 V HN 0.628 nan 8.190 nan 0.000 0.460 45 I N 5.976 126.581 120.570 0.057 0.000 2.433 45 I HA 0.571 4.741 4.170 0.001 0.000 0.292 45 I C -0.178 175.986 176.117 0.079 0.000 1.001 45 I CA -0.292 61.056 61.300 0.081 0.000 1.119 45 I CB 1.827 39.893 38.000 0.110 0.000 1.289 45 I HN 0.851 nan 8.210 nan 0.000 0.438 46 N N 5.189 123.948 118.700 0.099 0.000 2.331 46 N HA 0.494 5.235 4.740 0.001 0.000 0.280 46 N C -2.056 173.529 175.510 0.125 0.000 1.155 46 N CA -0.632 52.468 53.050 0.083 0.000 0.822 46 N CB 2.896 41.410 38.487 0.044 0.000 1.619 46 N HN 0.390 nan 8.380 nan 0.000 0.476 47 V N 1.487 121.455 119.914 0.090 0.000 2.448 47 V HA 0.595 4.716 4.120 0.001 0.000 0.295 47 V C -1.245 174.877 176.094 0.046 0.000 1.025 47 V CA -0.382 61.973 62.300 0.092 0.000 0.859 47 V CB 1.239 33.093 31.823 0.051 0.000 0.988 47 V HN 0.901 nan 8.190 nan 0.000 0.431 48 N N 3.200 121.927 118.700 0.044 0.000 2.542 48 N HA 0.234 4.975 4.740 0.001 0.000 0.288 48 N C 0.456 175.973 175.510 0.013 0.000 1.115 48 N CA 0.261 53.325 53.050 0.023 0.000 0.924 48 N CB 2.348 40.852 38.487 0.028 0.000 1.526 48 N HN 0.678 nan 8.380 nan 0.000 0.515 49 S N 1.593 117.293 115.700 0.000 0.000 2.515 49 S HA -0.023 4.448 4.470 0.001 0.000 0.231 49 S C 0.694 175.285 174.600 -0.014 0.000 0.987 49 S CA 0.132 58.325 58.200 -0.012 0.000 0.936 49 S CB -0.235 62.949 63.200 -0.026 0.000 0.766 49 S HN 0.553 nan 8.310 nan 0.000 0.528 50 N N 3.204 121.900 118.700 -0.007 0.000 2.406 50 N HA 0.280 5.020 4.740 0.001 0.000 0.251 50 N C -1.752 173.750 175.510 -0.014 0.000 1.069 50 N CA -2.438 50.605 53.050 -0.012 0.000 0.947 50 N CB 1.361 39.848 38.487 -0.000 0.000 1.111 50 N HN 0.012 nan 8.380 nan 0.000 0.497 51 P HA -0.008 nan 4.420 nan 0.000 0.222 51 P C 0.095 177.308 177.300 -0.144 0.000 1.153 51 P CA 0.643 63.717 63.100 -0.043 0.000 0.798 51 P CB 0.156 31.871 31.700 0.026 0.000 0.796 52 A N 0.330 123.040 122.820 -0.184 0.000 2.840 52 A HA 0.327 4.648 4.320 0.001 0.000 0.269 52 A C 0.490 178.032 177.584 -0.071 0.000 1.439 52 A CA 0.013 51.822 52.037 -0.380 0.000 1.083 52 A CB -1.316 17.486 19.000 -0.329 0.000 1.019 52 A HN 0.274 nan 8.150 nan 0.000 0.607 53 T N -3.159 111.443 114.554 0.080 0.000 2.887 53 T HA 0.537 4.888 4.350 0.001 0.000 0.288 53 T C 0.888 175.770 174.700 0.304 0.000 1.021 53 T CA -0.710 61.511 62.100 0.203 0.000 1.000 53 T CB 1.037 69.971 68.868 0.110 0.000 1.034 53 T HN -0.036 nan 8.240 nan 0.000 0.467 54 I N 2.055 122.748 120.570 0.205 0.000 2.394 54 I HA -0.130 4.041 4.170 0.001 0.000 0.251 54 I C 2.602 178.782 176.117 0.105 0.000 1.136 54 I CA 1.502 62.864 61.300 0.102 0.000 1.425 54 I CB -1.049 36.957 38.000 0.010 0.000 1.079 54 I HN 0.862 nan 8.210 nan 0.000 0.425 55 M N 0.499 120.154 119.600 0.091 0.000 2.346 55 M HA -0.143 4.338 4.480 0.001 0.000 0.263 55 M C 1.617 177.951 176.300 0.057 0.000 1.064 55 M CA 2.184 57.521 55.300 0.063 0.000 1.083 55 M CB -1.152 31.479 32.600 0.052 0.000 1.399 55 M HN 0.259 nan 8.290 nan 0.000 0.435 56 T N -2.753 111.847 114.554 0.077 0.000 3.163 56 T HA 0.182 4.533 4.350 0.001 0.000 0.252 56 T C -0.103 174.634 174.700 0.062 0.000 1.056 56 T CA -0.548 61.579 62.100 0.045 0.000 0.947 56 T CB -0.478 68.405 68.868 0.025 0.000 1.016 56 T HN 0.228 nan 8.240 nan 0.000 0.554 57 D N 3.666 124.130 120.400 0.106 0.000 2.424 57 D HA 0.179 4.820 4.640 0.001 0.000 0.244 57 D C -1.258 175.077 176.300 0.059 0.000 1.134 57 D CA -2.082 51.995 54.000 0.129 0.000 0.881 57 D CB 1.669 42.567 40.800 0.163 0.000 1.191 57 D HN 0.089 nan 8.370 nan 0.000 0.445 58 P HA -0.178 nan 4.420 nan 0.000 0.218 58 P C 0.984 178.292 177.300 0.014 0.000 1.148 58 P CA 1.203 64.310 63.100 0.011 0.000 0.822 58 P CB 0.192 31.923 31.700 0.052 0.000 0.784 59 E N -1.120 119.099 120.200 0.031 0.000 2.358 59 E HA -0.053 4.297 4.350 0.001 0.000 0.195 59 E C 1.436 178.046 176.600 0.016 0.000 1.010 59 E CA 0.760 57.172 56.400 0.020 0.000 0.856 59 E CB -0.675 29.035 29.700 0.016 0.000 0.795 59 E HN 0.174 nan 8.360 nan 0.000 0.504 60 M N 0.845 120.457 119.600 0.020 0.000 2.506 60 M HA 0.287 4.768 4.480 0.001 0.000 0.260 60 M C 0.888 177.196 176.300 0.014 0.000 1.104 60 M CA 0.153 55.464 55.300 0.019 0.000 1.112 60 M CB -0.145 32.471 32.600 0.026 0.000 1.401 60 M HN 0.174 nan 8.290 nan 0.000 0.473 61 A N -0.939 121.885 122.820 0.006 0.000 2.588 61 A HA 0.496 4.817 4.320 0.001 0.000 0.290 61 A C 0.063 177.642 177.584 -0.008 0.000 1.136 61 A CA -0.675 51.365 52.037 0.004 0.000 0.681 61 A CB 0.640 19.640 19.000 0.001 0.000 1.282 61 A HN 0.157 nan 8.150 nan 0.000 0.421 62 D N 0.196 120.595 120.400 -0.001 0.000 2.107 62 D HA 0.210 4.851 4.640 0.001 0.000 0.204 62 D C 0.868 177.139 176.300 -0.048 0.000 0.978 62 D CA 1.895 55.890 54.000 -0.008 0.000 0.852 62 D CB 0.072 40.882 40.800 0.017 0.000 1.008 62 D HN 0.702 nan 8.370 nan 0.000 0.458 63 A N 1.033 123.820 122.820 -0.055 0.000 2.323 63 A HA 0.484 4.804 4.320 0.001 0.000 0.305 63 A C -0.548 176.894 177.584 -0.237 0.000 1.275 63 A CA -0.437 51.503 52.037 -0.161 0.000 0.804 63 A CB 1.092 20.059 19.000 -0.055 0.000 1.152 63 A HN -0.096 nan 8.150 nan 0.000 0.487 64 T N 2.847 117.180 114.554 -0.368 0.000 2.749 64 T HA 0.480 4.831 4.350 0.001 0.000 0.287 64 T C -1.157 173.259 174.700 -0.475 0.000 0.970 64 T CA 0.309 62.234 62.100 -0.291 0.000 0.980 64 T CB 0.025 68.784 68.868 -0.182 0.000 0.924 64 T HN 0.400 nan 8.240 nan 0.000 0.456 65 Y N 2.726 122.992 120.300 -0.057 0.000 2.356 65 Y HA 0.449 5.000 4.550 0.001 0.000 0.334 65 Y C 0.508 176.366 175.900 -0.070 0.000 0.958 65 Y CA -1.081 56.976 58.100 -0.071 0.000 1.196 65 Y CB 0.698 39.119 38.460 -0.065 0.000 1.137 65 Y HN 0.552 nan 8.280 nan 0.000 0.485 66 I N 5.049 125.642 120.570 0.038 0.000 2.206 66 I HA 0.199 4.370 4.170 0.001 0.000 0.292 66 I C -0.261 175.863 176.117 0.011 0.000 1.156 66 I CA 0.091 61.393 61.300 0.002 0.000 1.356 66 I CB -0.173 37.798 38.000 -0.049 0.000 1.494 66 I HN 0.563 nan 8.210 nan 0.000 0.601 67 E N 5.548 125.764 120.200 0.027 0.000 2.393 67 E HA 0.444 4.795 4.350 0.001 0.000 0.273 67 E C -2.612 173.973 176.600 -0.026 0.000 0.918 67 E CA -2.087 54.308 56.400 -0.008 0.000 0.773 67 E CB 2.126 31.820 29.700 -0.009 0.000 1.275 67 E HN 0.008 nan 8.360 nan 0.000 0.451 68 P HA 0.069 nan 4.420 nan 0.000 0.261 68 P C 0.119 177.413 177.300 -0.011 0.000 1.183 68 P CA 0.511 63.586 63.100 -0.042 0.000 0.761 68 P CB 0.091 31.750 31.700 -0.067 0.000 0.785 69 I N 3.791 124.361 120.570 -0.000 0.000 2.382 69 I HA 0.043 4.213 4.170 0.001 0.000 0.297 69 I C 1.102 177.239 176.117 0.033 0.000 1.172 69 I CA 0.246 61.549 61.300 0.006 0.000 1.825 69 I CB -0.994 37.000 38.000 -0.010 0.000 1.509 69 I HN 0.382 nan 8.210 nan 0.000 0.842 70 H N 5.354 124.389 119.070 -0.059 0.000 2.495 70 H HA 0.066 4.622 4.556 0.001 0.000 0.348 70 H C 0.592 175.884 175.328 -0.061 0.000 1.113 70 H CA -0.828 55.180 56.048 -0.066 0.000 1.195 70 H CB 1.602 31.268 29.762 -0.160 0.000 1.521 70 H HN 0.574 nan 8.280 nan 0.000 0.509 71 W N 5.026 126.106 121.300 -0.367 0.000 2.318 71 W HA -0.164 4.497 4.660 0.001 0.000 0.313 71 W C 0.729 177.279 176.519 0.051 0.000 1.221 71 W CA 1.153 58.415 57.345 -0.140 0.000 1.266 71 W CB -0.542 28.805 29.460 -0.189 0.000 1.150 71 W HN 0.651 nan 8.180 nan 0.000 0.496 72 E N 0.867 120.647 120.200 -0.699 0.000 2.097 72 E HA -0.200 4.151 4.350 0.001 0.000 0.196 72 E C 2.350 178.783 176.600 -0.280 0.000 1.000 72 E CA 2.102 58.069 56.400 -0.722 0.000 0.804 72 E CB -0.355 28.853 29.700 -0.820 0.000 0.740 72 E HN 0.155 nan 8.360 nan 0.000 0.454 73 V N 0.822 120.641 119.914 -0.159 0.000 2.515 73 V HA -0.192 3.929 4.120 0.001 0.000 0.250 73 V C 2.265 178.264 176.094 -0.157 0.000 1.058 73 V CA 1.088 63.294 62.300 -0.157 0.000 1.064 73 V CB -0.126 31.626 31.823 -0.118 0.000 0.675 73 V HN 0.128 nan 8.190 nan 0.000 0.461 74 V N -0.167 119.692 119.914 -0.091 0.000 2.358 74 V HA -0.241 3.879 4.120 0.001 0.000 0.246 74 V C 2.534 178.549 176.094 -0.131 0.000 1.047 74 V CA 2.168 64.409 62.300 -0.098 0.000 1.035 74 V CB -0.784 31.029 31.823 -0.017 0.000 0.658 74 V HN 0.470 nan 8.190 nan 0.000 0.452 75 R N 0.275 120.740 120.500 -0.059 0.000 2.094 75 R HA -0.229 4.112 4.340 0.001 0.000 0.239 75 R C 2.479 178.647 176.300 -0.220 0.000 1.137 75 R CA 1.733 57.789 56.100 -0.074 0.000 0.943 75 R CB -0.173 30.166 30.300 0.064 0.000 0.850 75 R HN 0.324 nan 8.270 nan 0.000 0.433 76 K N 0.575 120.856 120.400 -0.198 0.000 2.074 76 K HA -0.162 4.159 4.320 0.001 0.000 0.209 76 K C 2.089 178.507 176.600 -0.303 0.000 1.048 76 K CA 1.423 57.578 56.287 -0.221 0.000 0.926 76 K CB -0.523 31.859 32.500 -0.196 0.000 0.713 76 K HN 0.354 nan 8.250 nan 0.000 0.444 77 I N 0.545 120.893 120.570 -0.370 0.000 2.226 77 I HA -0.266 3.905 4.170 0.001 0.000 0.245 77 I C 2.298 178.204 176.117 -0.351 0.000 1.100 77 I CA 0.934 61.941 61.300 -0.490 0.000 1.374 77 I CB -0.205 37.417 38.000 -0.630 0.000 1.057 77 I HN 0.048 nan 8.210 nan 0.000 0.413 78 I N 0.546 120.901 120.570 -0.357 0.000 2.076 78 I HA -0.352 3.819 4.170 0.001 0.000 0.237 78 I C 2.643 178.417 176.117 -0.572 0.000 1.059 78 I CA 1.679 62.735 61.300 -0.408 0.000 1.317 78 I CB -0.457 37.268 38.000 -0.459 0.000 1.037 78 I HN 0.278 nan 8.210 nan 0.000 0.398 79 E N 1.308 120.967 120.200 -0.902 0.000 2.086 79 E HA -0.367 3.984 4.350 0.001 0.000 0.205 79 E C 2.217 178.661 176.600 -0.260 0.000 1.027 79 E CA 2.199 58.088 56.400 -0.853 0.000 0.830 79 E CB -0.123 29.338 29.700 -0.398 0.000 0.751 79 E HN 0.318 nan 8.360 nan 0.000 0.456 80 K N -0.384 119.887 120.400 -0.214 0.000 2.148 80 K HA -0.130 4.190 4.320 0.001 0.000 0.204 80 K C 1.605 178.182 176.600 -0.037 0.000 1.050 80 K CA 1.413 57.646 56.287 -0.089 0.000 0.942 80 K CB 0.218 32.665 32.500 -0.089 0.000 0.724 80 K HN 0.099 nan 8.250 nan 0.000 0.446 81 E N 0.144 120.304 120.200 -0.067 0.000 2.473 81 E HA 0.049 4.399 4.350 0.001 0.000 0.204 81 E C -0.362 176.243 176.600 0.008 0.000 0.994 81 E CA -0.036 56.368 56.400 0.007 0.000 0.945 81 E CB 0.631 30.359 29.700 0.047 0.000 0.990 81 E HN 0.136 nan 8.360 nan 0.000 0.493 82 R N 1.147 121.629 120.500 -0.030 0.000 3.127 82 R HA -0.129 4.212 4.340 0.001 0.000 0.247 82 R C -2.422 173.906 176.300 0.046 0.000 0.896 82 R CA 0.329 56.451 56.100 0.037 0.000 0.624 82 R CB -2.384 27.974 30.300 0.097 0.000 1.154 82 R HN 0.249 nan 8.270 nan 0.000 0.474 83 P HA 0.112 nan 4.420 nan 0.000 0.274 83 P C 0.402 177.734 177.300 0.053 0.000 1.231 83 P CA -0.295 62.827 63.100 0.037 0.000 0.790 83 P CB 0.783 32.494 31.700 0.018 0.000 0.951 84 D N 0.251 120.685 120.400 0.057 0.000 2.183 84 D HA 0.090 4.731 4.640 0.001 0.000 0.205 84 D C 0.755 177.081 176.300 0.043 0.000 0.962 84 D CA 1.159 55.194 54.000 0.058 0.000 0.849 84 D CB 0.446 41.287 40.800 0.068 0.000 0.978 84 D HN 0.473 nan 8.370 nan 0.000 0.488 85 A N -0.235 122.602 122.820 0.029 0.000 2.569 85 A HA 0.596 4.916 4.320 0.001 0.000 0.290 85 A C -1.486 176.099 177.584 0.001 0.000 1.136 85 A CA -0.534 51.510 52.037 0.010 0.000 0.710 85 A CB 2.298 21.293 19.000 -0.008 0.000 1.303 85 A HN -0.072 nan 8.150 nan 0.000 0.413 86 V N 0.791 120.702 119.914 -0.004 0.000 2.638 86 V HA 0.659 4.780 4.120 0.001 0.000 0.306 86 V C -1.719 174.367 176.094 -0.014 0.000 1.052 86 V CA -0.617 61.679 62.300 -0.007 0.000 0.885 86 V CB 1.497 33.319 31.823 -0.002 0.000 0.999 86 V HN 1.015 nan 8.190 nan 0.000 0.424 87 L N 10.174 131.387 121.223 -0.017 0.000 2.283 87 L HA 0.733 5.073 4.340 0.001 0.000 0.281 87 L C -2.103 174.759 176.870 -0.013 0.000 1.033 87 L CA -1.370 53.459 54.840 -0.018 0.000 0.848 87 L CB 1.824 43.868 42.059 -0.026 0.000 1.226 87 L HN 0.514 nan 8.230 nan 0.000 0.429 88 P HA 0.133 nan 4.420 nan 0.000 0.274 88 P C 0.445 177.730 177.300 -0.025 0.000 1.352 88 P CA 0.143 63.232 63.100 -0.018 0.000 0.947 88 P CB 0.279 31.973 31.700 -0.010 0.000 1.437 89 T N -4.331 110.215 114.554 -0.012 0.000 3.163 89 T HA 0.265 4.616 4.350 0.001 0.000 0.252 89 T C 1.073 175.780 174.700 0.012 0.000 1.056 89 T CA -0.020 62.078 62.100 -0.003 0.000 0.947 89 T CB -0.443 68.434 68.868 0.015 0.000 1.016 89 T HN -0.118 nan 8.240 nan 0.000 0.554 90 M N 0.967 120.566 119.600 -0.001 0.000 2.412 90 M HA 0.385 4.866 4.480 0.001 0.000 0.315 90 M C 1.075 177.376 176.300 0.002 0.000 1.092 90 M CA -0.007 55.321 55.300 0.047 0.000 0.974 90 M CB 0.976 33.601 32.600 0.042 0.000 1.437 90 M HN 0.424 nan 8.290 nan 0.000 0.524 91 G N 0.149 108.841 108.800 -0.180 0.000 4.716 91 G HA2 0.496 4.457 3.960 0.001 0.000 0.282 91 G HA3 0.496 4.457 3.960 0.001 0.000 0.282 91 G C 0.704 175.166 174.900 -0.730 0.000 1.173 91 G CA 0.114 45.005 45.100 -0.348 0.000 0.913 91 G HN 0.561 nan 8.290 nan 0.000 0.566 92 G N 0.791 108.807 108.800 -1.307 0.000 2.575 92 G HA2 -0.351 3.610 3.960 0.001 0.000 0.267 92 G HA3 -0.351 3.610 3.960 0.001 0.000 0.267 92 G C 0.919 175.573 174.900 -0.410 0.000 1.264 92 G CA 0.740 45.166 45.100 -1.122 0.000 0.935 92 G HN 0.607 nan 8.290 nan 0.000 0.568 93 Q N -1.057 118.591 119.800 -0.254 0.000 2.187 93 Q HA 0.104 4.444 4.340 0.001 0.000 0.199 93 Q C 2.905 178.854 176.000 -0.085 0.000 0.957 93 Q CA 2.532 58.269 55.803 -0.110 0.000 0.857 93 Q CB -0.586 28.121 28.738 -0.052 0.000 0.929 93 Q HN 0.702 nan 8.270 nan 0.000 0.453 94 T N 0.249 114.728 114.554 -0.125 0.000 2.635 94 T HA -0.247 4.104 4.350 0.001 0.000 0.267 94 T C 1.676 176.327 174.700 -0.081 0.000 1.040 94 T CA 1.666 63.712 62.100 -0.090 0.000 1.156 94 T CB -0.649 68.157 68.868 -0.105 0.000 0.863 94 T HN 0.478 nan 8.240 nan 0.000 0.430 95 A N 1.147 123.893 122.820 -0.123 0.000 1.865 95 A HA -0.028 4.293 4.320 0.001 0.000 0.217 95 A C 2.362 179.914 177.584 -0.052 0.000 1.191 95 A CA 1.373 53.355 52.037 -0.091 0.000 0.623 95 A CB -0.963 17.967 19.000 -0.115 0.000 0.826 95 A HN 0.473 nan 8.150 nan 0.000 0.444 96 L N -0.488 120.705 121.223 -0.050 0.000 1.971 96 L HA -0.271 4.070 4.340 0.001 0.000 0.215 96 L C 2.481 179.384 176.870 0.056 0.000 1.072 96 L CA 1.785 56.632 54.840 0.011 0.000 0.758 96 L CB -0.897 41.175 42.059 0.022 0.000 0.889 96 L HN 0.375 nan 8.230 nan 0.000 0.433 97 N N -0.484 118.252 118.700 0.060 0.000 2.069 97 N HA -0.224 4.517 4.740 0.001 0.000 0.191 97 N C 1.884 177.379 175.510 -0.024 0.000 1.031 97 N CA 1.639 54.715 53.050 0.044 0.000 0.852 97 N CB -0.945 37.559 38.487 0.030 0.000 1.018 97 N HN 0.397 nan 8.380 nan 0.000 0.423 98 C N 0.773 120.058 119.300 -0.025 0.000 2.429 98 C HA 0.072 4.533 4.460 0.001 0.000 0.277 98 C C 2.720 177.693 174.990 -0.028 0.000 1.262 98 C CA 1.103 60.105 59.018 -0.027 0.000 1.733 98 C CB -1.307 26.424 27.740 -0.016 0.000 2.010 98 C HN 0.476 nan 8.230 nan 0.000 0.483 99 A N -0.148 122.661 122.820 -0.020 0.000 1.933 99 A HA -0.073 4.247 4.320 0.001 0.000 0.218 99 A C 1.938 179.501 177.584 -0.035 0.000 1.175 99 A CA 1.647 53.674 52.037 -0.017 0.000 0.628 99 A CB -0.617 18.379 19.000 -0.006 0.000 0.814 99 A HN 0.549 nan 8.150 nan 0.000 0.444 100 L N -0.759 120.441 121.223 -0.039 0.000 2.291 100 L HA -0.020 4.321 4.340 0.001 0.000 0.214 100 L C 2.254 179.032 176.870 -0.154 0.000 1.120 100 L CA 1.876 56.672 54.840 -0.072 0.000 0.799 100 L CB -0.416 41.615 42.059 -0.046 0.000 0.925 100 L HN 0.526 nan 8.230 nan 0.000 0.446 101 E N -0.326 119.766 120.200 -0.180 0.000 2.051 101 E HA -0.128 4.223 4.350 0.001 0.000 0.189 101 E C 2.199 178.578 176.600 -0.369 0.000 0.979 101 E CA 1.027 57.242 56.400 -0.309 0.000 0.803 101 E CB -0.206 29.302 29.700 -0.321 0.000 0.761 101 E HN 0.370 nan 8.360 nan 0.000 0.451 102 L N 0.823 121.927 121.223 -0.198 0.000 2.127 102 L HA -0.180 4.160 4.340 0.001 0.000 0.211 102 L C 2.658 179.452 176.870 -0.126 0.000 1.089 102 L CA 1.492 56.262 54.840 -0.116 0.000 0.757 102 L CB -0.393 41.664 42.059 -0.003 0.000 0.899 102 L HN 0.295 nan 8.230 nan 0.000 0.434 103 E N 0.270 120.398 120.200 -0.120 0.000 2.046 103 E HA -0.222 4.128 4.350 0.001 0.000 0.190 103 E C 2.307 178.827 176.600 -0.133 0.000 0.982 103 E CA 0.872 57.216 56.400 -0.093 0.000 0.800 103 E CB 0.141 29.802 29.700 -0.065 0.000 0.756 103 E HN 0.292 nan 8.360 nan 0.000 0.449 104 R N 0.313 120.699 120.500 -0.189 0.000 2.083 104 R HA -0.135 4.206 4.340 0.001 0.000 0.237 104 R C 2.265 178.418 176.300 -0.245 0.000 1.137 104 R CA 1.684 57.658 56.100 -0.210 0.000 0.951 104 R CB 0.015 30.160 30.300 -0.259 0.000 0.851 104 R HN 0.131 nan 8.270 nan 0.000 0.434 105 Q N -0.672 118.903 119.800 -0.376 0.000 2.541 105 Q HA 0.027 4.368 4.340 0.001 0.000 0.215 105 Q C 1.042 176.927 176.000 -0.192 0.000 0.977 105 Q CA 1.060 56.608 55.803 -0.425 0.000 0.934 105 Q CB 0.421 28.593 28.738 -0.944 0.000 0.988 105 Q HN 0.679 nan 8.270 nan 0.000 0.521 106 G N 0.256 108.982 108.800 -0.124 0.000 2.155 106 G HA2 -0.322 3.638 3.960 0.001 0.000 0.257 106 G HA3 -0.322 3.638 3.960 0.001 0.000 0.257 106 G C 0.996 175.909 174.900 0.023 0.000 0.983 106 G CA 0.530 45.603 45.100 -0.045 0.000 0.676 106 G HN 0.333 nan 8.290 nan 0.000 0.528 107 V N 0.502 120.446 119.914 0.050 0.000 2.490 107 V HA -0.154 3.967 4.120 0.001 0.000 0.250 107 V C 2.889 179.113 176.094 0.217 0.000 1.061 107 V CA 2.238 64.651 62.300 0.189 0.000 1.064 107 V CB -0.440 31.508 31.823 0.208 0.000 0.670 107 V HN 0.536 nan 8.190 nan 0.000 0.461 108 L N -0.123 121.164 121.223 0.108 0.000 2.072 108 L HA -0.151 4.189 4.340 0.001 0.000 0.205 108 L C 2.573 179.498 176.870 0.091 0.000 1.079 108 L CA 1.937 56.836 54.840 0.099 0.000 0.752 108 L CB -0.602 41.483 42.059 0.043 0.000 0.906 108 L HN 0.400 nan 8.230 nan 0.000 0.436 109 E N 0.803 121.033 120.200 0.049 0.000 2.072 109 E HA -0.286 4.065 4.350 0.001 0.000 0.191 109 E C 2.113 178.715 176.600 0.004 0.000 0.985 109 E CA 1.241 57.653 56.400 0.020 0.000 0.801 109 E CB 0.009 29.706 29.700 -0.005 0.000 0.750 109 E HN 0.423 nan 8.360 nan 0.000 0.452 110 E N -0.931 119.272 120.200 0.006 0.000 2.160 110 E HA -0.189 4.161 4.350 0.001 0.000 0.195 110 E C 0.604 177.022 176.600 -0.303 0.000 0.991 110 E CA 1.010 57.332 56.400 -0.129 0.000 0.810 110 E CB 0.011 29.673 29.700 -0.064 0.000 0.742 110 E HN 0.356 nan 8.360 nan 0.000 0.466 111 F N -0.707 119.250 119.950 0.012 0.000 2.724 111 F HA 0.328 4.856 4.527 0.001 0.000 0.310 111 F C 0.723 176.530 175.800 0.011 0.000 1.107 111 F CA 0.221 58.229 58.000 0.013 0.000 1.218 111 F CB 1.467 40.476 39.000 0.016 0.000 1.042 111 F HN 0.039 nan 8.300 nan 0.000 0.540 112 G N 2.131 111.006 108.800 0.124 0.000 2.352 112 G HA2 -0.209 3.752 3.960 0.001 0.000 0.283 112 G HA3 -0.209 3.752 3.960 0.001 0.000 0.283 112 G C -0.512 174.445 174.900 0.096 0.000 0.946 112 G CA 0.054 45.202 45.100 0.080 0.000 1.317 112 G HN 0.155 nan 8.290 nan 0.000 0.478 113 V N 1.745 121.717 119.914 0.097 0.000 2.370 113 V HA 0.479 4.599 4.120 0.001 0.000 0.283 113 V C 0.787 176.907 176.094 0.044 0.000 1.023 113 V CA -0.373 61.971 62.300 0.072 0.000 0.857 113 V CB 1.778 33.644 31.823 0.072 0.000 0.985 113 V HN 0.503 nan 8.190 nan 0.000 0.443 114 T N 6.604 121.178 114.554 0.032 0.000 2.749 114 T HA 0.337 4.688 4.350 0.001 0.000 0.295 114 T C 0.036 174.742 174.700 0.009 0.000 0.936 114 T CA -0.102 62.009 62.100 0.019 0.000 1.060 114 T CB 0.603 69.481 68.868 0.017 0.000 0.904 114 T HN 0.590 nan 8.240 nan 0.000 0.500 115 M N 5.761 125.365 119.600 0.007 0.000 2.194 115 M HA 0.396 4.876 4.480 0.001 0.000 0.347 115 M C -0.425 175.873 176.300 -0.002 0.000 1.439 115 M CA -0.323 54.978 55.300 0.002 0.000 1.131 115 M CB -0.160 32.443 32.600 0.005 0.000 1.733 115 M HN 0.629 nan 8.290 nan 0.000 0.467 116 I N 0.945 121.509 120.570 -0.010 0.000 2.910 116 I HA 0.929 5.100 4.170 0.001 0.000 0.310 116 I C 0.706 176.817 176.117 -0.009 0.000 1.043 116 I CA -0.277 61.015 61.300 -0.014 0.000 1.053 116 I CB 1.817 39.797 38.000 -0.034 0.000 1.242 116 I HN 0.813 nan 8.210 nan 0.000 0.452 117 G N 2.811 111.609 108.800 -0.003 0.000 3.757 117 G HA2 -0.109 3.852 3.960 0.001 0.000 0.215 117 G HA3 -0.109 3.852 3.960 0.001 0.000 0.215 117 G C 0.134 175.042 174.900 0.014 0.000 1.411 117 G CA 0.299 45.403 45.100 0.007 0.000 0.896 117 G HN 1.687 nan 8.290 nan 0.000 0.581 118 A N 0.063 122.890 122.820 0.011 0.000 2.455 118 A HA 0.881 5.201 4.320 0.001 0.000 0.300 118 A C 0.134 177.727 177.584 0.014 0.000 1.040 118 A CA 0.975 53.020 52.037 0.014 0.000 0.697 118 A CB 1.261 20.270 19.000 0.015 0.000 1.265 118 A HN 1.970 nan 8.150 nan 0.000 0.407 119 T N -0.476 114.087 114.554 0.016 0.000 2.868 119 T HA 0.506 4.857 4.350 0.001 0.000 0.292 119 T C 1.345 176.059 174.700 0.023 0.000 1.028 119 T CA 0.218 62.328 62.100 0.016 0.000 1.059 119 T CB 1.290 70.168 68.868 0.015 0.000 0.991 119 T HN 1.605 nan 8.240 nan 0.000 0.531 120 A N 1.023 123.856 122.820 0.022 0.000 2.019 120 A HA -0.050 4.270 4.320 0.001 0.000 0.219 120 A C 1.984 179.595 177.584 0.045 0.000 1.164 120 A CA 1.951 54.007 52.037 0.032 0.000 0.644 120 A CB -1.156 17.854 19.000 0.016 0.000 0.805 120 A HN 1.018 nan 8.150 nan 0.000 0.449 121 D N -0.484 119.936 120.400 0.034 0.000 2.149 121 D HA 0.048 4.689 4.640 0.001 0.000 0.201 121 D C 2.056 178.383 176.300 0.045 0.000 0.972 121 D CA 1.333 55.356 54.000 0.039 0.000 0.835 121 D CB -0.165 40.650 40.800 0.025 0.000 0.966 121 D HN 0.320 nan 8.370 nan 0.000 0.476 122 A N 0.371 123.212 122.820 0.035 0.000 1.877 122 A HA -0.131 4.190 4.320 0.001 0.000 0.216 122 A C 2.381 179.986 177.584 0.035 0.000 1.186 122 A CA 1.261 53.318 52.037 0.033 0.000 0.620 122 A CB -0.853 18.162 19.000 0.026 0.000 0.822 122 A HN 0.371 nan 8.150 nan 0.000 0.443 123 I N -0.439 120.153 120.570 0.037 0.000 2.226 123 I HA -0.255 3.916 4.170 0.001 0.000 0.245 123 I C 2.299 178.436 176.117 0.034 0.000 1.100 123 I CA 1.981 63.295 61.300 0.024 0.000 1.374 123 I CB -0.525 37.509 38.000 0.057 0.000 1.057 123 I HN 0.392 nan 8.210 nan 0.000 0.413 124 D N 1.115 121.588 120.400 0.123 0.000 2.117 124 D HA -0.233 4.407 4.640 0.001 0.000 0.197 124 D C 2.199 178.562 176.300 0.104 0.000 0.987 124 D CA 1.393 55.517 54.000 0.206 0.000 0.829 124 D CB 0.010 40.930 40.800 0.201 0.000 0.961 124 D HN 0.050 nan 8.370 nan 0.000 0.460 125 K N -0.750 119.696 120.400 0.077 0.000 2.211 125 K HA -0.091 4.229 4.320 0.001 0.000 0.204 125 K C 1.772 178.442 176.600 0.116 0.000 1.047 125 K CA 1.117 57.450 56.287 0.076 0.000 0.935 125 K CB -0.037 32.494 32.500 0.051 0.000 0.728 125 K HN 0.189 nan 8.250 nan 0.000 0.452 126 A N 0.446 123.304 122.820 0.064 0.000 1.956 126 A HA -0.010 4.310 4.320 0.001 0.000 0.212 126 A C 1.697 179.187 177.584 -0.155 0.000 1.188 126 A CA 0.608 52.684 52.037 0.066 0.000 0.675 126 A CB -0.036 18.958 19.000 -0.009 0.000 0.845 126 A HN 0.145 nan 8.150 nan 0.000 0.455 127 E N 0.752 120.741 120.200 -0.351 0.000 2.158 127 E HA -0.078 4.273 4.350 0.001 0.000 0.191 127 E C -0.036 176.205 176.600 -0.598 0.000 0.982 127 E CA 0.382 56.310 56.400 -0.787 0.000 0.823 127 E CB -0.227 28.420 29.700 -1.754 0.000 0.766 127 E HN 0.534 nan 8.360 nan 0.000 0.468 128 D N 1.322 121.611 120.400 -0.186 0.000 2.374 128 D HA 0.010 4.651 4.640 0.001 0.000 0.240 128 D C 0.836 177.179 176.300 0.072 0.000 1.229 128 D CA -0.089 53.973 54.000 0.102 0.000 0.895 128 D CB 0.402 41.339 40.800 0.228 0.000 1.046 128 D HN -0.070 nan 8.370 nan 0.000 0.498 129 R N 3.021 123.548 120.500 0.044 0.000 2.200 129 R HA -0.143 4.198 4.340 0.001 0.000 0.234 129 R C 1.979 178.343 176.300 0.107 0.000 1.127 129 R CA 0.582 56.718 56.100 0.059 0.000 0.989 129 R CB 0.077 30.381 30.300 0.007 0.000 0.869 129 R HN 0.448 nan 8.270 nan 0.000 0.459 130 R N 1.129 121.687 120.500 0.097 0.000 2.062 130 R HA -0.024 4.316 4.340 0.001 0.000 0.226 130 R C 2.230 178.577 176.300 0.079 0.000 1.125 130 R CA 0.942 57.090 56.100 0.080 0.000 0.966 130 R CB 0.061 30.411 30.300 0.084 0.000 0.861 130 R HN 0.124 nan 8.270 nan 0.000 0.433 131 R N -0.474 120.082 120.500 0.094 0.000 2.091 131 R HA -0.181 4.159 4.340 0.001 0.000 0.238 131 R C 2.196 178.527 176.300 0.052 0.000 1.136 131 R CA 1.781 57.922 56.100 0.069 0.000 0.959 131 R CB -0.532 29.817 30.300 0.080 0.000 0.856 131 R HN 0.214 nan 8.270 nan 0.000 0.437 132 F N 1.977 121.910 119.950 -0.028 0.000 2.069 132 F HA -0.274 4.254 4.527 0.001 0.000 0.298 132 F C 1.939 177.716 175.800 -0.038 0.000 1.113 132 F CA 2.118 60.090 58.000 -0.046 0.000 1.214 132 F CB -0.362 38.596 39.000 -0.071 0.000 0.978 132 F HN -0.019 nan 8.300 nan 0.000 0.474 133 D N -0.534 119.903 120.400 0.062 0.000 2.149 133 D HA -0.180 4.461 4.640 0.001 0.000 0.198 133 D C 2.276 178.518 176.300 -0.097 0.000 0.990 133 D CA 1.440 55.433 54.000 -0.012 0.000 0.839 133 D CB -0.153 40.676 40.800 0.048 0.000 0.948 133 D HN 0.180 nan 8.370 nan 0.000 0.460 134 V N 0.575 120.446 119.914 -0.071 0.000 2.287 134 V HA -0.273 3.848 4.120 0.001 0.000 0.248 134 V C 2.488 178.509 176.094 -0.121 0.000 1.053 134 V CA 1.839 64.097 62.300 -0.070 0.000 1.027 134 V CB -0.911 30.892 31.823 -0.035 0.000 0.646 134 V HN 0.334 nan 8.190 nan 0.000 0.447 135 A N -0.306 122.401 122.820 -0.188 0.000 1.873 135 A HA -0.287 4.034 4.320 0.001 0.000 0.218 135 A C 2.225 179.651 177.584 -0.262 0.000 1.193 135 A CA 2.446 54.340 52.037 -0.239 0.000 0.629 135 A CB -0.542 18.254 19.000 -0.340 0.000 0.826 135 A HN 0.431 nan 8.150 nan 0.000 0.447 136 M N -0.547 118.834 119.600 -0.365 0.000 2.080 136 M HA -0.147 4.334 4.480 0.001 0.000 0.260 136 M C 2.091 178.311 176.300 -0.134 0.000 1.068 136 M CA 2.026 57.166 55.300 -0.266 0.000 1.109 136 M CB -1.317 31.122 32.600 -0.268 0.000 1.342 136 M HN 0.536 nan 8.290 nan 0.000 0.405 137 K N 0.557 120.892 120.400 -0.108 0.000 2.063 137 K HA -0.217 4.104 4.320 0.001 0.000 0.208 137 K C 2.132 178.698 176.600 -0.056 0.000 1.048 137 K CA 1.630 57.880 56.287 -0.061 0.000 0.928 137 K CB -0.052 32.420 32.500 -0.047 0.000 0.713 137 K HN 0.239 nan 8.250 nan 0.000 0.442 138 K N 1.281 121.639 120.400 -0.071 0.000 2.032 138 K HA -0.147 4.174 4.320 0.001 0.000 0.209 138 K C 1.853 178.423 176.600 -0.049 0.000 1.048 138 K CA 1.868 58.121 56.287 -0.056 0.000 0.927 138 K CB -0.250 32.213 32.500 -0.061 0.000 0.712 138 K HN 0.404 nan 8.250 nan 0.000 0.441 139 I N -2.521 118.012 120.570 -0.062 0.000 3.749 139 I HA 0.267 4.437 4.170 0.001 0.000 0.314 139 I C 0.641 176.740 176.117 -0.029 0.000 1.267 139 I CA 0.476 61.750 61.300 -0.045 0.000 1.169 139 I CB -0.357 37.613 38.000 -0.050 0.000 1.009 139 I HN 0.343 nan 8.210 nan 0.000 0.444 140 G N 2.192 110.974 108.800 -0.029 0.000 2.198 140 G HA2 -0.252 3.708 3.960 0.001 0.000 0.260 140 G HA3 -0.252 3.708 3.960 0.001 0.000 0.260 140 G C -0.038 174.861 174.900 -0.001 0.000 1.025 140 G CA 0.308 45.400 45.100 -0.013 0.000 0.769 140 G HN 0.482 nan 8.290 nan 0.000 0.507 141 L N -0.307 120.913 121.223 -0.005 0.000 2.343 141 L HA 0.570 4.910 4.340 0.001 0.000 0.275 141 L C 0.731 177.619 176.870 0.030 0.000 1.056 141 L CA -0.800 54.056 54.840 0.027 0.000 0.804 141 L CB 1.519 43.604 42.059 0.043 0.000 1.203 141 L HN 0.353 nan 8.230 nan 0.000 0.440 142 E N 1.277 121.517 120.200 0.065 0.000 2.266 142 E HA 0.367 4.718 4.350 0.001 0.000 0.277 142 E C -0.916 175.729 176.600 0.075 0.000 1.018 142 E CA -0.506 55.933 56.400 0.065 0.000 0.840 142 E CB 1.437 31.187 29.700 0.083 0.000 1.082 142 E HN 0.646 nan 8.360 nan 0.000 0.395 143 T N 0.399 114.980 114.554 0.046 0.000 2.916 143 T HA 0.727 5.077 4.350 0.001 0.000 0.292 143 T C -0.125 174.578 174.700 0.006 0.000 1.064 143 T CA -0.751 61.372 62.100 0.039 0.000 1.011 143 T CB 1.513 70.407 68.868 0.044 0.000 1.152 143 T HN 0.523 nan 8.240 nan 0.000 0.510 144 A N 1.440 124.245 122.820 -0.025 0.000 2.386 144 A HA 0.558 4.878 4.320 0.001 0.000 0.248 144 A C 0.630 178.187 177.584 -0.046 0.000 1.082 144 A CA -0.600 51.397 52.037 -0.067 0.000 0.789 144 A CB -0.103 18.829 19.000 -0.114 0.000 1.025 144 A HN 1.024 nan 8.150 nan 0.000 0.490 145 R N 0.751 121.219 120.500 -0.054 0.000 2.502 145 R HA 0.273 4.614 4.340 0.001 0.000 0.292 145 R C 0.005 176.278 176.300 -0.045 0.000 0.998 145 R CA 1.215 57.290 56.100 -0.043 0.000 1.056 145 R CB -0.046 30.226 30.300 -0.048 0.000 0.939 145 R HN 1.005 nan 8.270 nan 0.000 0.411 146 S N 1.984 117.664 115.700 -0.033 0.000 2.672 146 S HA 0.830 5.300 4.470 0.001 0.000 0.271 146 S C -0.704 173.881 174.600 -0.025 0.000 1.171 146 S CA -0.532 57.650 58.200 -0.029 0.000 0.817 146 S CB 1.780 64.968 63.200 -0.021 0.000 1.150 146 S HN 0.746 nan 8.310 nan 0.000 0.478 147 G N -0.024 108.763 108.800 -0.023 0.000 2.733 147 G HA2 0.586 4.546 3.960 0.001 0.000 0.297 147 G HA3 0.586 4.546 3.960 0.001 0.000 0.297 147 G C -1.442 173.436 174.900 -0.037 0.000 1.422 147 G CA -0.731 44.353 45.100 -0.027 0.000 0.942 147 G HN 0.651 nan 8.290 nan 0.000 0.510 148 I N 1.118 121.649 120.570 -0.065 0.000 2.396 148 I HA 0.596 4.767 4.170 0.001 0.000 0.292 148 I C 0.504 176.497 176.117 -0.207 0.000 0.999 148 I CA -0.508 60.709 61.300 -0.140 0.000 1.310 148 I CB 1.446 39.352 38.000 -0.157 0.000 1.404 148 I HN 0.623 nan 8.210 nan 0.000 0.496 149 A N 5.043 127.706 122.820 -0.261 0.000 2.414 149 A HA 0.602 4.923 4.320 0.001 0.000 0.306 149 A C -0.423 176.974 177.584 -0.312 0.000 1.054 149 A CA -0.427 51.482 52.037 -0.213 0.000 0.724 149 A CB 0.820 19.794 19.000 -0.043 0.000 1.267 149 A HN 0.866 nan 8.150 nan 0.000 0.418 150 H N 0.187 119.275 119.070 0.031 0.000 3.046 150 H HA 0.252 4.809 4.556 0.001 0.000 0.262 150 H C 0.586 175.928 175.328 0.023 0.000 1.044 150 H CA 0.896 56.958 56.048 0.024 0.000 1.209 150 H CB 1.107 30.881 29.762 0.020 0.000 1.507 150 H HN 0.789 nan 8.280 nan 0.000 0.507 151 T N -3.473 111.154 114.554 0.123 0.000 2.816 151 T HA 0.163 4.514 4.350 0.001 0.000 0.299 151 T C 0.783 175.527 174.700 0.073 0.000 1.230 151 T CA -0.909 61.244 62.100 0.089 0.000 1.007 151 T CB 1.746 70.666 68.868 0.087 0.000 1.289 151 T HN -0.021 nan 8.240 nan 0.000 0.508 152 M N 0.937 120.580 119.600 0.071 0.000 2.213 152 M HA 0.022 4.503 4.480 0.001 0.000 0.263 152 M C 2.106 178.474 176.300 0.114 0.000 1.062 152 M CA 2.186 57.540 55.300 0.090 0.000 1.105 152 M CB -0.714 31.936 32.600 0.083 0.000 1.385 152 M HN 0.886 nan 8.290 nan 0.000 0.417 153 E N -0.249 120.003 120.200 0.086 0.000 2.051 153 E HA -0.254 4.097 4.350 0.001 0.000 0.192 153 E C 1.850 178.495 176.600 0.075 0.000 0.991 153 E CA 1.636 58.082 56.400 0.076 0.000 0.799 153 E CB -0.342 29.391 29.700 0.056 0.000 0.748 153 E HN 0.681 nan 8.360 nan 0.000 0.449 154 E N 0.294 120.535 120.200 0.069 0.000 2.065 154 E HA -0.276 4.074 4.350 0.001 0.000 0.201 154 E C 2.087 178.730 176.600 0.070 0.000 1.016 154 E CA 1.277 57.709 56.400 0.054 0.000 0.818 154 E CB -0.251 29.475 29.700 0.044 0.000 0.749 154 E HN 0.437 nan 8.360 nan 0.000 0.453 155 A N 0.996 123.886 122.820 0.117 0.000 1.873 155 A HA -0.227 4.094 4.320 0.001 0.000 0.218 155 A C 2.194 179.969 177.584 0.317 0.000 1.193 155 A CA 1.585 53.764 52.037 0.238 0.000 0.629 155 A CB -0.876 18.261 19.000 0.228 0.000 0.826 155 A HN 0.204 nan 8.150 nan 0.000 0.447 156 L N -0.902 120.470 121.223 0.249 0.000 2.265 156 L HA -0.164 4.176 4.340 0.001 0.000 0.215 156 L C 2.944 179.770 176.870 -0.073 0.000 1.117 156 L CA 0.861 55.736 54.840 0.057 0.000 0.782 156 L CB -0.435 41.678 42.059 0.090 0.000 0.914 156 L HN 0.456 nan 8.230 nan 0.000 0.441 157 A N -0.424 122.387 122.820 -0.016 0.000 1.897 157 A HA -0.086 4.235 4.320 0.001 0.000 0.215 157 A C 2.325 179.863 177.584 -0.078 0.000 1.181 157 A CA 1.322 53.332 52.037 -0.046 0.000 0.620 157 A CB -0.660 18.332 19.000 -0.014 0.000 0.821 157 A HN 0.144 nan 8.150 nan 0.000 0.443 158 V N 0.196 120.082 119.914 -0.047 0.000 2.287 158 V HA -0.276 3.844 4.120 0.001 0.000 0.248 158 V C 3.042 179.044 176.094 -0.153 0.000 1.053 158 V CA 1.967 64.230 62.300 -0.062 0.000 1.027 158 V CB -1.345 30.479 31.823 0.001 0.000 0.646 158 V HN 0.591 nan 8.190 nan 0.000 0.447 159 A N -0.004 122.660 122.820 -0.260 0.000 1.978 159 A HA -0.128 4.193 4.320 0.001 0.000 0.220 159 A C 2.403 179.660 177.584 -0.545 0.000 1.170 159 A CA 2.066 53.763 52.037 -0.566 0.000 0.636 159 A CB -0.686 17.628 19.000 -1.144 0.000 0.810 159 A HN 0.598 nan 8.150 nan 0.000 0.448 160 A N -0.247 122.359 122.820 -0.356 0.000 1.930 160 A HA -0.145 4.176 4.320 0.001 0.000 0.217 160 A C 1.870 179.320 177.584 -0.223 0.000 1.175 160 A CA 2.070 53.946 52.037 -0.269 0.000 0.627 160 A CB -0.491 18.410 19.000 -0.166 0.000 0.815 160 A HN 0.540 nan 8.150 nan 0.000 0.443 161 D N -0.297 119.989 120.400 -0.191 0.000 2.084 161 D HA -0.123 4.518 4.640 0.001 0.000 0.199 161 D C 2.005 178.213 176.300 -0.153 0.000 0.981 161 D CA 2.397 56.313 54.000 -0.141 0.000 0.841 161 D CB -0.248 40.491 40.800 -0.102 0.000 0.997 161 D HN 0.369 nan 8.370 nan 0.000 0.454 162 V N -2.219 117.590 119.914 -0.174 0.000 3.041 162 V HA 0.324 4.445 4.120 0.001 0.000 0.260 162 V C 1.224 177.197 176.094 -0.203 0.000 1.105 162 V CA 0.843 63.048 62.300 -0.158 0.000 1.125 162 V CB -1.106 30.644 31.823 -0.121 0.000 0.730 162 V HN 0.420 nan 8.190 nan 0.000 0.479 163 G N -0.153 108.447 108.800 -0.333 0.000 2.860 163 G HA2 -0.203 3.757 3.960 0.001 0.000 0.553 163 G HA3 -0.203 3.757 3.960 0.001 0.000 0.553 163 G C -0.712 173.928 174.900 -0.434 0.000 1.439 163 G CA -0.094 44.769 45.100 -0.396 0.000 0.879 163 G HN 0.583 nan 8.290 nan 0.000 0.545 164 F N 1.314 121.223 119.950 -0.068 0.000 2.425 164 F HA 0.592 5.119 4.527 0.001 0.000 0.331 164 F C -0.928 174.860 175.800 -0.020 0.000 1.085 164 F CA -1.524 56.444 58.000 -0.054 0.000 1.028 164 F CB 1.816 40.806 39.000 -0.016 0.000 1.177 164 F HN 0.452 nan 8.300 nan 0.000 0.487 165 P HA 0.380 nan 4.420 nan 0.000 0.278 165 P C -1.281 176.060 177.300 0.069 0.000 1.266 165 P CA -0.532 62.636 63.100 0.112 0.000 0.807 165 P CB 0.963 32.469 31.700 -0.323 0.000 1.094 166 C N -1.006 118.359 119.300 0.107 0.000 2.994 166 C HA 0.769 5.230 4.460 0.001 0.000 0.305 166 C C -0.642 174.373 174.990 0.042 0.000 1.251 166 C CA -0.912 58.143 59.018 0.062 0.000 1.478 166 C CB 0.129 27.917 27.740 0.080 0.000 1.922 166 C HN 0.371 nan 8.230 nan 0.000 0.472 167 I N 2.043 122.617 120.570 0.007 0.000 2.359 167 I HA 0.559 4.730 4.170 0.001 0.000 0.294 167 I C -0.064 176.061 176.117 0.013 0.000 0.987 167 I CA -0.560 60.733 61.300 -0.012 0.000 1.225 167 I CB 1.310 39.284 38.000 -0.044 0.000 1.366 167 I HN 0.594 nan 8.210 nan 0.000 0.466 168 I N 6.718 127.286 120.570 -0.003 0.000 2.389 168 I HA 0.504 4.675 4.170 0.001 0.000 0.288 168 I C -0.346 175.750 176.117 -0.036 0.000 0.999 168 I CA -0.540 60.747 61.300 -0.022 0.000 1.129 168 I CB 0.860 38.815 38.000 -0.075 0.000 1.288 168 I HN 0.426 nan 8.210 nan 0.000 0.444 169 R N 6.635 127.114 120.500 -0.034 0.000 2.502 169 R HA 0.488 4.828 4.340 0.001 0.000 0.300 169 R C -2.820 173.460 176.300 -0.033 0.000 0.984 169 R CA -1.806 54.273 56.100 -0.036 0.000 0.882 169 R CB 1.856 32.129 30.300 -0.045 0.000 1.180 169 R HN 0.211 nan 8.270 nan 0.000 0.444 170 P HA 0.156 nan 4.420 nan 0.000 0.277 170 P C -0.566 176.736 177.300 0.004 0.000 1.240 170 P CA -0.388 62.709 63.100 -0.006 0.000 0.798 170 P CB 1.071 32.770 31.700 -0.001 0.000 0.979 171 S N 1.360 117.091 115.700 0.052 0.000 2.584 171 S HA 0.359 4.830 4.470 0.001 0.000 0.273 171 S C -0.005 174.712 174.600 0.195 0.000 1.311 171 S CA -0.117 58.135 58.200 0.087 0.000 1.034 171 S CB -0.631 62.686 63.200 0.195 0.000 0.939 171 S HN 0.445 nan 8.310 nan 0.000 0.513 172 F N -0.062 119.872 119.950 -0.026 0.000 3.018 172 F HA -0.234 4.293 4.527 0.001 0.000 0.287 172 F C 0.968 176.746 175.800 -0.036 0.000 0.813 172 F CA 0.963 58.944 58.000 -0.031 0.000 1.209 172 F CB -2.135 36.849 39.000 -0.026 0.000 1.321 172 F HN 0.680 nan 8.300 nan 0.000 0.477 173 T N -1.695 112.869 114.554 0.016 0.000 2.907 173 T HA 0.888 5.239 4.350 0.001 0.000 0.290 173 T C -0.241 174.436 174.700 -0.037 0.000 1.066 173 T CA -0.192 61.908 62.100 0.001 0.000 1.012 173 T CB 2.880 71.749 68.868 0.003 0.000 1.184 173 T HN 0.484 nan 8.240 nan 0.000 0.522 174 M N -0.601 118.986 119.600 -0.021 0.000 2.683 174 M HA 0.800 5.281 4.480 0.001 0.000 0.274 174 M C 0.669 176.969 176.300 -0.001 0.000 1.272 174 M CA 0.360 55.662 55.300 0.004 0.000 0.833 174 M CB 0.737 33.342 32.600 0.007 0.000 1.708 174 M HN 1.538 nan 8.290 nan 0.000 0.463 175 G N -0.448 108.379 108.800 0.045 0.000 2.166 175 G HA2 0.165 4.126 3.960 0.001 0.000 0.260 175 G HA3 0.165 4.126 3.960 0.001 0.000 0.260 175 G C 1.191 175.855 174.900 -0.394 0.000 0.986 175 G CA 0.938 45.890 45.100 -0.246 0.000 0.683 175 G HN 2.637 nan 8.290 nan 0.000 0.527 176 G N -1.580 107.165 108.800 -0.092 0.000 2.155 176 G HA2 -0.081 3.880 3.960 0.001 0.000 0.257 176 G HA3 -0.081 3.880 3.960 0.001 0.000 0.257 176 G C 0.543 175.401 174.900 -0.071 0.000 0.983 176 G CA 0.801 45.886 45.100 -0.025 0.000 0.676 176 G HN 1.849 nan 8.290 nan 0.000 0.528 177 S N 0.172 115.820 115.700 -0.086 0.000 2.546 177 S HA 0.421 4.891 4.470 0.001 0.000 0.290 177 S C 1.664 176.226 174.600 -0.062 0.000 1.262 177 S CA 1.209 59.357 58.200 -0.086 0.000 1.083 177 S CB 0.896 64.050 63.200 -0.077 0.000 0.859 177 S HN 2.110 nan 8.310 nan 0.000 0.495 178 G N 2.382 111.139 108.800 -0.073 0.000 2.176 178 G HA2 -0.161 3.800 3.960 0.001 0.000 0.253 178 G HA3 -0.161 3.800 3.960 0.001 0.000 0.253 178 G C 0.321 175.183 174.900 -0.064 0.000 0.979 178 G CA -0.088 44.973 45.100 -0.064 0.000 0.641 178 G HN 1.103 nan 8.290 nan 0.000 0.530 179 G N -1.381 107.386 108.800 -0.055 0.000 2.887 179 G HA2 1.034 4.995 3.960 0.001 0.000 0.277 179 G HA3 1.034 4.995 3.960 0.001 0.000 0.277 179 G C 0.264 175.140 174.900 -0.040 0.000 1.346 179 G CA 0.256 45.328 45.100 -0.048 0.000 1.058 179 G HN 1.741 nan 8.290 nan 0.000 0.535 180 G N -1.811 106.972 108.800 -0.030 0.000 2.327 180 G HA2 0.397 4.358 3.960 0.001 0.000 0.291 180 G HA3 0.397 4.358 3.960 0.001 0.000 0.291 180 G C -1.759 173.123 174.900 -0.030 0.000 1.290 180 G CA -0.844 44.246 45.100 -0.017 0.000 0.857 180 G HN 0.681 nan 8.290 nan 0.000 0.520 181 I N 1.115 121.659 120.570 -0.044 0.000 2.378 181 I HA 0.615 4.785 4.170 0.001 0.000 0.291 181 I C 0.542 176.552 176.117 -0.178 0.000 0.992 181 I CA -0.792 60.424 61.300 -0.141 0.000 1.154 181 I CB 1.958 39.815 38.000 -0.239 0.000 1.315 181 I HN 0.751 nan 8.210 nan 0.000 0.448 182 A N 5.402 128.146 122.820 -0.126 0.000 2.276 182 A HA 0.511 4.832 4.320 0.001 0.000 0.316 182 A C -0.542 176.870 177.584 -0.286 0.000 1.229 182 A CA -0.250 51.744 52.037 -0.072 0.000 0.851 182 A CB 0.210 19.360 19.000 0.248 0.000 1.165 182 A HN 0.749 nan 8.150 nan 0.000 0.513 183 Y N 1.445 121.630 120.300 -0.192 0.000 2.478 183 Y HA 0.123 4.674 4.550 0.002 0.000 0.261 183 Y C 0.734 176.264 175.900 -0.617 0.000 1.127 183 Y CA 0.612 58.567 58.100 -0.242 0.000 1.288 183 Y CB 0.310 38.702 38.460 -0.114 0.000 1.084 183 Y HN 0.906 nan 8.280 nan 0.000 0.530 184 N N -2.653 115.577 118.700 -0.784 0.000 3.020 184 N HA 0.195 4.936 4.740 0.001 0.000 0.248 184 N C 0.243 175.265 175.510 -0.814 0.000 1.480 184 N CA -1.011 51.461 53.050 -0.965 0.000 0.874 184 N CB 0.616 38.915 38.487 -0.313 0.000 1.433 184 N HN -0.244 nan 8.380 nan 0.000 0.530 185 R N -0.097 120.191 120.500 -0.354 0.000 2.105 185 R HA -0.163 4.177 4.340 0.001 0.000 0.239 185 R C 1.282 177.659 176.300 0.128 0.000 1.135 185 R CA 1.845 57.996 56.100 0.084 0.000 0.967 185 R CB -0.147 30.252 30.300 0.165 0.000 0.861 185 R HN 0.837 nan 8.270 nan 0.000 0.442 186 E N 0.530 120.748 120.200 0.029 0.000 2.007 186 E HA -0.227 4.124 4.350 0.001 0.000 0.194 186 E C 1.723 178.347 176.600 0.040 0.000 0.999 186 E CA 1.567 57.991 56.400 0.040 0.000 0.811 186 E CB -0.025 29.682 29.700 0.011 0.000 0.762 186 E HN 0.375 nan 8.360 nan 0.000 0.450 187 E N -0.158 120.044 120.200 0.002 0.000 2.065 187 E HA -0.242 4.109 4.350 0.001 0.000 0.201 187 E C 1.888 178.506 176.600 0.030 0.000 1.016 187 E CA 1.508 57.912 56.400 0.006 0.000 0.818 187 E CB -0.352 29.345 29.700 -0.005 0.000 0.749 187 E HN 0.275 nan 8.360 nan 0.000 0.453 188 F N 1.924 121.829 119.950 -0.075 0.000 2.045 188 F HA -0.327 4.201 4.527 0.001 0.000 0.297 188 F C 2.145 177.969 175.800 0.039 0.000 1.114 188 F CA 2.134 60.149 58.000 0.025 0.000 1.207 188 F CB -0.113 38.984 39.000 0.163 0.000 0.964 188 F HN 0.000 nan 8.300 nan 0.000 0.486 189 E N -0.527 119.744 120.200 0.118 0.000 2.153 189 E HA -0.265 4.086 4.350 0.001 0.000 0.194 189 E C 2.195 178.755 176.600 -0.067 0.000 0.988 189 E CA 1.217 57.630 56.400 0.022 0.000 0.811 189 E CB -0.370 29.403 29.700 0.122 0.000 0.746 189 E HN 0.655 nan 8.360 nan 0.000 0.466 190 E N 1.082 121.254 120.200 -0.046 0.000 2.072 190 E HA -0.182 4.169 4.350 0.001 0.000 0.191 190 E C 2.080 178.620 176.600 -0.099 0.000 0.985 190 E CA 0.764 57.131 56.400 -0.055 0.000 0.801 190 E CB -0.022 29.661 29.700 -0.029 0.000 0.750 190 E HN 0.230 nan 8.360 nan 0.000 0.452 191 I N 0.760 121.245 120.570 -0.142 0.000 2.202 191 I HA -0.299 3.872 4.170 0.001 0.000 0.242 191 I C 2.674 178.668 176.117 -0.206 0.000 1.091 191 I CA 0.723 61.925 61.300 -0.163 0.000 1.368 191 I CB -0.314 37.586 38.000 -0.166 0.000 1.058 191 I HN 0.312 nan 8.210 nan 0.000 0.410 192 C N 0.815 119.915 119.300 -0.333 0.000 2.413 192 C HA -0.189 4.271 4.460 0.001 0.000 0.276 192 C C 3.209 178.107 174.990 -0.153 0.000 1.236 192 C CA 1.053 59.888 59.018 -0.304 0.000 1.735 192 C CB -1.269 26.184 27.740 -0.478 0.000 2.031 192 C HN 0.610 nan 8.230 nan 0.000 0.474 193 A N 0.373 123.120 122.820 -0.121 0.000 1.877 193 A HA -0.232 4.089 4.320 0.001 0.000 0.216 193 A C 2.219 179.762 177.584 -0.069 0.000 1.186 193 A CA 1.969 53.968 52.037 -0.063 0.000 0.620 193 A CB -0.664 18.316 19.000 -0.033 0.000 0.822 193 A HN 0.652 nan 8.150 nan 0.000 0.443 194 R N -0.609 119.836 120.500 -0.091 0.000 2.083 194 R HA -0.115 4.225 4.340 0.001 0.000 0.237 194 R C 2.247 178.505 176.300 -0.069 0.000 1.137 194 R CA 1.841 57.888 56.100 -0.089 0.000 0.951 194 R CB -0.763 29.481 30.300 -0.094 0.000 0.851 194 R HN 0.447 nan 8.270 nan 0.000 0.434 195 G N 0.802 109.556 108.800 -0.077 0.000 2.421 195 G HA2 -0.234 3.726 3.960 0.001 0.000 0.216 195 G HA3 -0.234 3.726 3.960 0.001 0.000 0.216 195 G C 1.463 176.343 174.900 -0.033 0.000 1.171 195 G CA 0.737 45.802 45.100 -0.058 0.000 0.775 195 G HN 0.261 nan 8.290 nan 0.000 0.543 196 L N 0.235 121.438 121.223 -0.033 0.000 2.081 196 L HA -0.119 4.221 4.340 0.001 0.000 0.212 196 L C 2.466 179.343 176.870 0.011 0.000 1.080 196 L CA 1.608 56.448 54.840 -0.001 0.000 0.754 196 L CB -0.239 41.824 42.059 0.007 0.000 0.893 196 L HN 0.223 nan 8.230 nan 0.000 0.433 197 D N -0.796 119.603 120.400 -0.001 0.000 2.249 197 D HA -0.139 4.501 4.640 0.001 0.000 0.205 197 D C 1.941 178.245 176.300 0.008 0.000 0.962 197 D CA 0.373 54.379 54.000 0.010 0.000 0.860 197 D CB 0.269 41.073 40.800 0.006 0.000 0.955 197 D HN 0.063 nan 8.370 nan 0.000 0.505 198 L N 0.095 121.315 121.223 -0.005 0.000 2.131 198 L HA 0.178 4.519 4.340 0.001 0.000 0.206 198 L C 0.742 177.620 176.870 0.013 0.000 1.087 198 L CA 0.677 55.516 54.840 -0.002 0.000 0.767 198 L CB -0.699 41.349 42.059 -0.019 0.000 0.917 198 L HN -0.138 nan 8.230 nan 0.000 0.441 199 S N 0.353 116.066 115.700 0.022 0.000 2.575 199 S HA 0.035 4.506 4.470 0.001 0.000 0.295 199 S C -1.431 173.191 174.600 0.037 0.000 1.267 199 S CA -0.818 57.412 58.200 0.049 0.000 1.074 199 S CB 0.437 63.675 63.200 0.062 0.000 0.829 199 S HN 0.157 nan 8.310 nan 0.000 0.497 200 P HA 0.001 nan 4.420 nan 0.000 0.225 200 P C 0.896 178.136 177.300 -0.100 0.000 1.148 200 P CA 0.954 64.026 63.100 -0.046 0.000 0.779 200 P CB -0.068 31.571 31.700 -0.102 0.000 0.780 201 T N -5.242 109.288 114.554 -0.042 0.000 3.132 201 T HA 0.203 4.554 4.350 0.001 0.000 0.274 201 T C 0.582 175.302 174.700 0.032 0.000 1.011 201 T CA -0.602 61.467 62.100 -0.051 0.000 0.899 201 T CB -0.482 68.361 68.868 -0.041 0.000 1.089 201 T HN -0.093 nan 8.240 nan 0.000 0.543 202 K N 1.149 121.576 120.400 0.044 0.000 3.451 202 K HA -0.209 4.112 4.320 0.001 0.000 0.273 202 K C -0.608 176.080 176.600 0.147 0.000 0.944 202 K CA 0.711 57.040 56.287 0.071 0.000 0.734 202 K CB -1.070 31.459 32.500 0.048 0.000 1.437 202 K HN 0.863 nan 8.250 nan 0.000 0.454 203 E N 1.077 121.359 120.200 0.136 0.000 2.356 203 E HA 0.544 4.895 4.350 0.001 0.000 0.275 203 E C -1.124 175.505 176.600 0.047 0.000 0.904 203 E CA -0.893 55.594 56.400 0.146 0.000 0.757 203 E CB 1.214 31.038 29.700 0.207 0.000 1.232 203 E HN 0.267 nan 8.360 nan 0.000 0.442 204 L N 3.432 124.643 121.223 -0.021 0.000 2.401 204 L HA 0.556 4.897 4.340 0.001 0.000 0.266 204 L C -1.084 175.756 176.870 -0.050 0.000 0.991 204 L CA -1.218 53.601 54.840 -0.035 0.000 0.818 204 L CB 1.785 43.813 42.059 -0.051 0.000 1.321 204 L HN 0.480 nan 8.230 nan 0.000 0.413 205 L N 3.397 124.601 121.223 -0.032 0.000 2.322 205 L HA 0.649 4.990 4.340 0.001 0.000 0.281 205 L C -0.958 175.906 176.870 -0.012 0.000 1.014 205 L CA 0.044 54.869 54.840 -0.025 0.000 0.815 205 L CB 1.469 43.517 42.059 -0.018 0.000 1.247 205 L HN 0.400 nan 8.230 nan 0.000 0.421 206 I N 4.254 124.828 120.570 0.007 0.000 2.389 206 I HA 0.438 4.608 4.170 0.001 0.000 0.288 206 I C -1.086 175.038 176.117 0.012 0.000 0.999 206 I CA -0.420 60.906 61.300 0.043 0.000 1.129 206 I CB 1.643 39.717 38.000 0.124 0.000 1.288 206 I HN 0.587 nan 8.210 nan 0.000 0.444 207 D N 4.231 124.631 120.400 -0.000 0.000 2.433 207 D HA 0.349 4.990 4.640 0.001 0.000 0.236 207 D C -0.682 175.586 176.300 -0.053 0.000 1.026 207 D CA -0.781 53.198 54.000 -0.036 0.000 0.884 207 D CB 1.147 41.916 40.800 -0.053 0.000 1.384 207 D HN 0.526 nan 8.370 nan 0.000 0.477 208 E N -0.382 119.772 120.200 -0.078 0.000 2.404 208 E HA 0.276 4.627 4.350 0.001 0.000 0.261 208 E C -0.161 176.369 176.600 -0.116 0.000 1.074 208 E CA -0.742 55.602 56.400 -0.092 0.000 0.917 208 E CB 0.665 30.307 29.700 -0.097 0.000 0.965 208 E HN 0.203 nan 8.360 nan 0.000 0.433 209 S N 1.791 117.428 115.700 -0.105 0.000 2.564 209 S HA 0.096 4.566 4.470 0.001 0.000 0.278 209 S C 0.260 174.726 174.600 -0.224 0.000 1.333 209 S CA -0.562 57.562 58.200 -0.127 0.000 1.048 209 S CB 0.113 63.270 63.200 -0.073 0.000 0.900 209 S HN 0.584 nan 8.310 nan 0.000 0.505 210 L N 4.593 125.648 121.223 -0.281 0.000 3.267 210 L HA 0.395 4.736 4.340 0.001 0.000 0.289 210 L C -0.209 176.506 176.870 -0.259 0.000 1.260 210 L CA -0.289 54.226 54.840 -0.541 0.000 1.034 210 L CB 0.127 41.773 42.059 -0.688 0.000 1.413 210 L HN 0.639 nan 8.230 nan 0.000 0.594 211 I N 0.871 121.385 120.570 -0.095 0.000 2.775 211 I HA -0.024 4.147 4.170 0.001 0.000 0.290 211 I C 1.552 177.731 176.117 0.103 0.000 1.203 211 I CA 1.475 62.784 61.300 0.015 0.000 1.433 211 I CB 0.426 38.449 38.000 0.038 0.000 1.354 211 I HN 0.459 nan 8.210 nan 0.000 0.579 212 G N 4.271 113.148 108.800 0.128 0.000 2.258 212 G HA2 -0.228 3.732 3.960 0.001 0.000 0.233 212 G HA3 -0.228 3.732 3.960 0.001 0.000 0.233 212 G C -0.047 175.040 174.900 0.313 0.000 1.006 212 G CA -0.535 44.663 45.100 0.164 0.000 0.620 212 G HN 0.509 nan 8.290 nan 0.000 0.511 213 W N 1.856 123.187 121.300 0.052 0.000 2.034 213 W HA 0.612 5.272 4.660 0.001 0.000 0.357 213 W C 1.139 177.706 176.519 0.080 0.000 1.326 213 W CA -0.423 56.972 57.345 0.082 0.000 1.318 213 W CB 0.319 29.831 29.460 0.087 0.000 1.193 213 W HN 0.047 nan 8.180 nan 0.000 0.620 214 K N 1.350 121.929 120.400 0.299 0.000 2.237 214 K HA 0.131 4.452 4.320 0.001 0.000 0.270 214 K C -0.369 176.342 176.600 0.185 0.000 1.015 214 K CA -0.295 56.103 56.287 0.185 0.000 0.949 214 K CB 0.806 33.435 32.500 0.215 0.000 0.976 214 K HN 0.353 nan 8.250 nan 0.000 0.472 215 E N 2.629 122.809 120.200 -0.033 0.000 2.176 215 E HA 0.243 4.593 4.350 0.001 0.000 0.267 215 E C -1.543 174.924 176.600 -0.222 0.000 0.893 215 E CA -0.548 55.852 56.400 0.001 0.000 0.761 215 E CB 0.713 30.417 29.700 0.007 0.000 1.133 215 E HN 0.353 nan 8.360 nan 0.000 0.409 216 Y N 1.733 122.128 120.300 0.158 0.000 2.598 216 Y HA 0.520 5.070 4.550 0.001 0.000 0.340 216 Y C -0.062 175.950 175.900 0.187 0.000 1.038 216 Y CA -0.846 57.349 58.100 0.158 0.000 1.100 216 Y CB 2.280 40.820 38.460 0.133 0.000 1.281 216 Y HN 0.476 nan 8.280 nan 0.000 0.488 217 E N 1.356 121.766 120.200 0.349 0.000 2.366 217 E HA 0.615 4.966 4.350 0.001 0.000 0.278 217 E C -1.561 175.168 176.600 0.215 0.000 0.923 217 E CA -0.881 55.662 56.400 0.238 0.000 0.761 217 E CB 2.653 32.427 29.700 0.124 0.000 1.231 217 E HN 0.518 nan 8.360 nan 0.000 0.443 218 M N 1.780 121.491 119.600 0.185 0.000 2.378 218 M HA 0.304 4.784 4.480 0.001 0.000 0.289 218 M C -1.314 175.026 176.300 0.068 0.000 1.136 218 M CA -0.809 54.560 55.300 0.115 0.000 0.917 218 M CB 2.330 34.990 32.600 0.100 0.000 1.669 218 M HN 0.219 nan 8.290 nan 0.000 0.461 219 E N 3.028 123.243 120.200 0.025 0.000 2.109 219 E HA 0.517 4.868 4.350 0.001 0.000 0.278 219 E C -1.160 175.411 176.600 -0.047 0.000 0.954 219 E CA -0.287 56.109 56.400 -0.006 0.000 0.779 219 E CB 1.836 31.526 29.700 -0.016 0.000 1.093 219 E HN 0.374 nan 8.360 nan 0.000 0.401 220 V N 2.336 122.232 119.914 -0.030 0.000 2.715 220 V HA 0.553 4.673 4.120 0.001 0.000 0.310 220 V C 0.010 176.083 176.094 -0.036 0.000 1.054 220 V CA -0.971 61.305 62.300 -0.041 0.000 0.928 220 V CB 2.254 34.076 31.823 -0.002 0.000 1.007 220 V HN 0.327 nan 8.190 nan 0.000 0.437 221 V N 3.274 123.161 119.914 -0.044 0.000 2.709 221 V HA 0.676 4.796 4.120 0.001 0.000 0.308 221 V C -0.365 175.743 176.094 0.023 0.000 1.062 221 V CA -0.706 61.594 62.300 -0.001 0.000 0.901 221 V CB 2.048 33.875 31.823 0.006 0.000 1.003 221 V HN 0.950 nan 8.190 nan 0.000 0.425 222 R N 2.519 123.044 120.500 0.043 0.000 2.686 222 R HA 0.678 5.018 4.340 0.001 0.000 0.283 222 R C -1.509 174.826 176.300 0.058 0.000 0.978 222 R CA -0.480 55.648 56.100 0.045 0.000 0.897 222 R CB 2.000 32.321 30.300 0.035 0.000 1.192 222 R HN 0.934 nan 8.270 nan 0.000 0.457 223 D N 1.623 122.060 120.400 0.061 0.000 2.467 223 D HA 0.145 4.786 4.640 0.001 0.000 0.245 223 D C 0.347 176.678 176.300 0.051 0.000 1.038 223 D CA -0.857 53.183 54.000 0.067 0.000 1.038 223 D CB 1.065 41.916 40.800 0.086 0.000 1.278 223 D HN 0.616 nan 8.370 nan 0.000 0.564 224 K N -0.366 120.064 120.400 0.049 0.000 2.280 224 K HA -0.111 4.209 4.320 0.001 0.000 0.202 224 K C 0.376 176.997 176.600 0.034 0.000 1.047 224 K CA 0.934 57.242 56.287 0.036 0.000 0.942 224 K CB -0.363 32.154 32.500 0.029 0.000 0.739 224 K HN 0.118 nan 8.250 nan 0.000 0.457 225 N N 1.308 120.033 118.700 0.041 0.000 2.370 225 N HA -0.054 4.687 4.740 0.001 0.000 0.198 225 N C -0.519 175.012 175.510 0.036 0.000 1.156 225 N CA 0.747 53.819 53.050 0.038 0.000 0.839 225 N CB 0.091 38.604 38.487 0.044 0.000 0.989 225 N HN 0.342 nan 8.380 nan 0.000 0.468 226 D N -0.709 119.713 120.400 0.036 0.000 3.077 226 D HA -0.177 4.464 4.640 0.001 0.000 0.212 226 D C -0.863 175.460 176.300 0.038 0.000 1.125 226 D CA 0.463 54.483 54.000 0.033 0.000 0.970 226 D CB -1.482 39.334 40.800 0.026 0.000 1.110 226 D HN 0.164 nan 8.370 nan 0.000 0.419 227 N N 0.379 119.108 118.700 0.048 0.000 2.492 227 N HA 0.276 5.016 4.740 0.001 0.000 0.262 227 N C -0.274 175.267 175.510 0.051 0.000 1.202 227 N CA 0.286 53.368 53.050 0.054 0.000 0.926 227 N CB 1.200 39.729 38.487 0.071 0.000 1.078 227 N HN 0.326 nan 8.380 nan 0.000 0.454 228 C N 3.815 123.141 119.300 0.042 0.000 2.701 228 C HA 0.715 5.176 4.460 0.001 0.000 0.336 228 C C -0.749 174.249 174.990 0.012 0.000 1.123 228 C CA -0.722 58.313 59.018 0.028 0.000 1.326 228 C CB -0.424 27.329 27.740 0.022 0.000 1.833 228 C HN 0.741 nan 8.230 nan 0.000 0.473 229 I N 3.278 123.840 120.570 -0.014 0.000 2.865 229 I HA 0.661 4.832 4.170 0.001 0.000 0.302 229 I C -1.054 175.001 176.117 -0.103 0.000 1.140 229 I CA -0.893 60.372 61.300 -0.058 0.000 1.021 229 I CB 1.642 39.583 38.000 -0.097 0.000 1.233 229 I HN 0.256 nan 8.210 nan 0.000 0.427 230 I N 4.765 125.273 120.570 -0.103 0.000 2.322 230 I HA 0.141 4.311 4.170 0.001 0.000 0.292 230 I C 1.093 177.091 176.117 -0.199 0.000 1.060 230 I CA -0.248 60.989 61.300 -0.104 0.000 1.309 230 I CB 1.166 39.147 38.000 -0.031 0.000 1.415 230 I HN 0.579 nan 8.210 nan 0.000 0.492 231 V N 5.307 125.057 119.914 -0.272 0.000 2.535 231 V HA -0.046 4.075 4.120 0.001 0.000 0.246 231 V C 0.769 176.734 176.094 -0.215 0.000 1.045 231 V CA 0.997 63.041 62.300 -0.425 0.000 1.058 231 V CB 0.323 31.777 31.823 -0.616 0.000 0.689 231 V HN 0.881 nan 8.190 nan 0.000 0.461 232 C N -0.170 119.068 119.300 -0.104 0.000 3.171 232 C HA 0.626 5.087 4.460 0.001 0.000 0.336 232 C C -0.171 174.843 174.990 0.040 0.000 1.198 232 C CA -0.395 58.611 59.018 -0.019 0.000 1.319 232 C CB 1.297 29.035 27.740 -0.005 0.000 1.682 232 C HN 0.485 nan 8.230 nan 0.000 0.497 233 S N 4.145 119.901 115.700 0.093 0.000 2.537 233 S HA 0.901 5.371 4.470 0.001 0.000 0.301 233 S C -1.059 173.633 174.600 0.153 0.000 1.092 233 S CA -0.538 57.752 58.200 0.150 0.000 1.048 233 S CB 1.236 64.602 63.200 0.277 0.000 1.053 233 S HN 0.725 nan 8.310 nan 0.000 0.501 234 I N 1.290 121.975 120.570 0.192 0.000 2.571 234 I HA 0.387 4.558 4.170 0.001 0.000 0.289 234 I C -0.637 175.600 176.117 0.199 0.000 1.115 234 I CA -0.307 61.094 61.300 0.169 0.000 1.045 234 I CB 2.218 40.286 38.000 0.113 0.000 1.238 234 I HN 0.799 nan 8.210 nan 0.000 0.424 235 E N 6.357 126.643 120.200 0.144 0.000 2.151 235 E HA 0.321 4.671 4.350 0.001 0.000 0.275 235 E C -0.729 175.842 176.600 -0.048 0.000 0.936 235 E CA -0.591 55.775 56.400 -0.057 0.000 0.777 235 E CB 1.065 30.825 29.700 0.101 0.000 1.108 235 E HN 0.526 nan 8.360 nan 0.000 0.401 236 N N 4.093 122.686 118.700 -0.178 0.000 2.513 236 N HA 0.014 4.755 4.740 0.001 0.000 0.268 236 N C 0.269 175.723 175.510 -0.093 0.000 1.180 236 N CA -0.010 52.993 53.050 -0.078 0.000 0.948 236 N CB 0.625 39.068 38.487 -0.073 0.000 1.083 236 N HN 0.543 nan 8.380 nan 0.000 0.455 237 F N 2.207 121.976 119.950 -0.302 0.000 2.149 237 F HA -0.001 4.526 4.527 0.001 0.000 0.294 237 F C 0.639 176.265 175.800 -0.291 0.000 1.095 237 F CA 0.787 58.435 58.000 -0.587 0.000 1.276 237 F CB 0.268 38.931 39.000 -0.562 0.000 1.023 237 F HN 0.387 nan 8.300 nan 0.000 0.480 238 D N 1.756 122.207 120.400 0.086 0.000 2.390 238 D HA 0.268 4.908 4.640 0.001 0.000 0.249 238 D C 0.396 176.690 176.300 -0.011 0.000 1.144 238 D CA 0.388 54.412 54.000 0.041 0.000 0.880 238 D CB 1.350 42.237 40.800 0.145 0.000 1.182 238 D HN 0.324 nan 8.370 nan 0.000 0.451 239 A N 3.383 126.190 122.820 -0.023 0.000 2.262 239 A HA 0.208 4.529 4.320 0.001 0.000 0.273 239 A C 0.785 178.394 177.584 0.042 0.000 1.202 239 A CA -0.446 51.600 52.037 0.014 0.000 0.811 239 A CB 0.216 19.232 19.000 0.028 0.000 1.159 239 A HN 0.528 nan 8.150 nan 0.000 0.505 240 M N -0.292 119.353 119.600 0.076 0.000 2.250 240 M HA 0.258 4.738 4.480 0.001 0.000 0.337 240 M C 1.388 177.714 176.300 0.044 0.000 1.161 240 M CA 1.923 57.259 55.300 0.060 0.000 1.088 240 M CB -0.268 32.382 32.600 0.083 0.000 1.639 240 M HN 1.460 nan 8.290 nan 0.000 0.447 241 G N 3.406 112.223 108.800 0.029 0.000 2.253 241 G HA2 -0.153 3.808 3.960 0.001 0.000 0.209 241 G HA3 -0.153 3.808 3.960 0.001 0.000 0.209 241 G C 0.044 174.986 174.900 0.071 0.000 0.997 241 G CA -0.578 44.546 45.100 0.040 0.000 0.640 241 G HN 0.573 nan 8.290 nan 0.000 0.496 242 I N 2.485 123.103 120.570 0.079 0.000 2.382 242 I HA 0.304 4.475 4.170 0.001 0.000 0.285 242 I C 0.626 176.824 176.117 0.136 0.000 1.007 242 I CA -1.027 60.348 61.300 0.125 0.000 1.142 242 I CB 1.199 39.276 38.000 0.129 0.000 1.289 242 I HN 0.128 nan 8.210 nan 0.000 0.453 243 H N 5.213 124.325 119.070 0.070 0.000 3.152 243 H HA -0.099 4.457 4.556 0.001 0.000 0.319 243 H C 1.252 176.615 175.328 0.058 0.000 0.994 243 H CA 1.369 57.447 56.048 0.052 0.000 1.370 243 H CB 1.203 30.994 29.762 0.049 0.000 1.322 243 H HN 0.870 nan 8.280 nan 0.000 0.590 244 T N 0.795 115.247 114.554 -0.170 0.000 2.737 244 T HA -0.163 4.187 4.350 0.001 0.000 0.269 244 T C 2.126 176.918 174.700 0.154 0.000 1.040 244 T CA 1.249 63.337 62.100 -0.021 0.000 1.142 244 T CB -0.678 68.124 68.868 -0.111 0.000 0.861 244 T HN 0.628 nan 8.240 nan 0.000 0.456 245 G N 0.686 109.738 108.800 0.419 0.000 2.534 245 G HA2 -0.025 3.936 3.960 0.001 0.000 0.217 245 G HA3 -0.025 3.936 3.960 0.001 0.000 0.217 245 G C 0.998 175.978 174.900 0.133 0.000 1.128 245 G CA 0.619 45.860 45.100 0.235 0.000 0.784 245 G HN 0.505 nan 8.290 nan 0.000 0.542 246 D N -0.294 120.242 120.400 0.227 0.000 2.363 246 D HA 0.219 4.860 4.640 0.001 0.000 0.214 246 D C 0.671 177.156 176.300 0.309 0.000 1.093 246 D CA 0.023 54.188 54.000 0.275 0.000 0.837 246 D CB 0.692 41.734 40.800 0.403 0.000 0.948 246 D HN 0.074 nan 8.370 nan 0.000 0.507 247 S N -0.067 115.752 115.700 0.197 0.000 2.654 247 S HA 0.449 4.920 4.470 0.001 0.000 0.283 247 S C 0.404 175.067 174.600 0.104 0.000 1.180 247 S CA -0.645 57.652 58.200 0.161 0.000 1.021 247 S CB 1.700 64.967 63.200 0.113 0.000 1.018 247 S HN 0.047 nan 8.310 nan 0.000 0.532 248 I N 2.688 123.308 120.570 0.083 0.000 2.441 248 I HA 0.232 4.403 4.170 0.001 0.000 0.287 248 I C 0.649 176.776 176.117 0.015 0.000 1.049 248 I CA 0.080 61.357 61.300 -0.038 0.000 1.381 248 I CB 0.923 38.738 38.000 -0.308 0.000 1.409 248 I HN 0.676 nan 8.210 nan 0.000 0.523 249 T N 4.069 118.627 114.554 0.006 0.000 2.907 249 T HA 0.770 5.121 4.350 0.001 0.000 0.292 249 T C -0.538 174.199 174.700 0.062 0.000 1.043 249 T CA -0.741 61.382 62.100 0.038 0.000 1.003 249 T CB 1.935 70.826 68.868 0.038 0.000 1.084 249 T HN 0.410 nan 8.240 nan 0.000 0.483 250 V N -1.336 118.649 119.914 0.118 0.000 2.962 250 V HA 1.016 5.137 4.120 0.001 0.000 0.313 250 V C -0.504 175.674 176.094 0.141 0.000 1.099 250 V CA -1.236 61.159 62.300 0.159 0.000 0.971 250 V CB 1.236 33.234 31.823 0.293 0.000 1.028 250 V HN 1.533 nan 8.190 nan 0.000 0.430 251 A N 4.541 127.430 122.820 0.115 0.000 2.343 251 A HA 1.028 5.349 4.320 0.001 0.000 0.316 251 A C -2.781 174.839 177.584 0.060 0.000 1.104 251 A CA -1.792 50.298 52.037 0.087 0.000 0.768 251 A CB 1.774 20.813 19.000 0.065 0.000 1.213 251 A HN 0.793 nan 8.150 nan 0.000 0.456 252 P HA 0.494 nan 4.420 nan 0.000 0.317 252 P C 0.083 177.437 177.300 0.090 0.000 1.307 252 P CA -0.304 62.824 63.100 0.047 0.000 0.749 252 P CB 0.680 32.368 31.700 -0.020 0.000 1.377 253 A N 0.299 123.209 122.820 0.149 0.000 2.483 253 A HA 0.066 4.386 4.320 0.001 0.000 0.238 253 A C 1.138 178.737 177.584 0.025 0.000 1.070 253 A CA 0.319 52.489 52.037 0.220 0.000 0.770 253 A CB -0.335 18.858 19.000 0.321 0.000 1.008 253 A HN 0.461 nan 8.150 nan 0.000 0.497 254 Q N 0.159 119.917 119.800 -0.070 0.000 2.471 254 Q HA 0.015 4.355 4.340 0.001 0.000 0.241 254 Q C 1.319 177.004 176.000 -0.524 0.000 0.886 254 Q CA 1.621 57.140 55.803 -0.473 0.000 0.953 254 Q CB 0.078 28.186 28.738 -1.051 0.000 1.108 254 Q HN 0.993 nan 8.270 nan 0.000 0.575 255 T N -1.765 112.615 114.554 -0.290 0.000 3.214 255 T HA 0.464 4.815 4.350 0.001 0.000 0.264 255 T C 0.465 175.107 174.700 -0.097 0.000 1.012 255 T CA -0.165 61.791 62.100 -0.239 0.000 0.901 255 T CB -0.327 68.433 68.868 -0.179 0.000 1.070 255 T HN -0.102 nan 8.240 nan 0.000 0.561 256 L N 2.871 124.039 121.223 -0.091 0.000 2.309 256 L HA 0.491 4.831 4.340 0.001 0.000 0.282 256 L C 0.945 177.758 176.870 -0.095 0.000 1.036 256 L CA -1.038 53.736 54.840 -0.110 0.000 0.806 256 L CB 1.552 43.517 42.059 -0.157 0.000 1.220 256 L HN 0.299 nan 8.230 nan 0.000 0.429 257 T N -2.558 111.944 114.554 -0.087 0.000 2.813 257 T HA -0.012 4.339 4.350 0.001 0.000 0.297 257 T C 0.735 175.404 174.700 -0.052 0.000 1.036 257 T CA -0.481 61.574 62.100 -0.075 0.000 1.044 257 T CB 1.134 69.963 68.868 -0.066 0.000 0.993 257 T HN 0.685 nan 8.240 nan 0.000 0.535 258 D N 0.313 120.676 120.400 -0.061 0.000 2.123 258 D HA -0.124 4.517 4.640 0.001 0.000 0.196 258 D C 1.983 178.285 176.300 0.003 0.000 0.992 258 D CA 1.465 55.438 54.000 -0.044 0.000 0.833 258 D CB -0.060 40.699 40.800 -0.069 0.000 0.954 258 D HN 0.646 nan 8.370 nan 0.000 0.455 259 K N 0.074 120.459 120.400 -0.024 0.000 2.009 259 K HA -0.179 4.142 4.320 0.001 0.000 0.210 259 K C 2.233 178.806 176.600 -0.044 0.000 1.049 259 K CA 1.502 57.771 56.287 -0.030 0.000 0.929 259 K CB -0.159 32.317 32.500 -0.039 0.000 0.714 259 K HN 0.311 nan 8.250 nan 0.000 0.440 260 E N -0.142 120.020 120.200 -0.063 0.000 2.085 260 E HA -0.234 4.117 4.350 0.001 0.000 0.194 260 E C 1.933 178.445 176.600 -0.147 0.000 0.994 260 E CA 1.278 57.607 56.400 -0.118 0.000 0.801 260 E CB -0.205 29.408 29.700 -0.145 0.000 0.743 260 E HN 0.329 nan 8.360 nan 0.000 0.453 261 Y N 1.756 121.929 120.300 -0.212 0.000 2.181 261 Y HA -0.268 4.282 4.550 0.001 0.000 0.288 261 Y C 2.352 178.138 175.900 -0.191 0.000 1.146 261 Y CA 1.535 59.500 58.100 -0.226 0.000 1.164 261 Y CB 0.092 38.444 38.460 -0.179 0.000 0.982 261 Y HN -0.052 nan 8.280 nan 0.000 0.515 262 Q N 0.518 120.354 119.800 0.061 0.000 2.096 262 Q HA -0.196 4.144 4.340 0.001 0.000 0.204 262 Q C 2.438 178.364 176.000 -0.124 0.000 0.982 262 Q CA 2.043 57.846 55.803 -0.001 0.000 0.850 262 Q CB -0.706 28.043 28.738 0.019 0.000 0.901 262 Q HN 0.632 nan 8.270 nan 0.000 0.422 263 I N 0.052 120.536 120.570 -0.144 0.000 2.163 263 I HA -0.315 3.856 4.170 0.001 0.000 0.243 263 I C 2.479 178.437 176.117 -0.265 0.000 1.085 263 I CA 1.248 62.449 61.300 -0.165 0.000 1.347 263 I CB -0.277 37.633 38.000 -0.150 0.000 1.044 263 I HN 0.249 nan 8.210 nan 0.000 0.408 264 M N 0.247 119.586 119.600 -0.434 0.000 2.159 264 M HA -0.255 4.226 4.480 0.001 0.000 0.263 264 M C 2.481 178.447 176.300 -0.557 0.000 1.063 264 M CA 1.677 56.552 55.300 -0.709 0.000 1.110 264 M CB -0.151 31.906 32.600 -0.904 0.000 1.374 264 M HN 0.093 nan 8.290 nan 0.000 0.411 265 R N 0.158 120.375 120.500 -0.471 0.000 2.062 265 R HA -0.149 4.192 4.340 0.001 0.000 0.231 265 R C 1.663 177.879 176.300 -0.140 0.000 1.136 265 R CA 2.396 58.312 56.100 -0.306 0.000 0.948 265 R CB -0.410 29.739 30.300 -0.251 0.000 0.845 265 R HN 0.543 nan 8.270 nan 0.000 0.430 266 N N -0.018 118.613 118.700 -0.115 0.000 2.104 266 N HA -0.207 4.534 4.740 0.001 0.000 0.190 266 N C 1.832 177.330 175.510 -0.021 0.000 1.024 266 N CA 1.212 54.229 53.050 -0.054 0.000 0.853 266 N CB -0.203 38.255 38.487 -0.048 0.000 1.008 266 N HN 0.309 nan 8.380 nan 0.000 0.424 267 A N 0.936 123.740 122.820 -0.026 0.000 1.883 267 A HA -0.166 4.155 4.320 0.001 0.000 0.217 267 A C 2.349 180.046 177.584 0.189 0.000 1.186 267 A CA 1.764 53.855 52.037 0.090 0.000 0.624 267 A CB -0.741 18.352 19.000 0.155 0.000 0.822 267 A HN 0.242 nan 8.150 nan 0.000 0.444 268 S N -0.160 115.675 115.700 0.225 0.000 2.370 268 S HA -0.198 4.273 4.470 0.001 0.000 0.226 268 S C 1.993 176.656 174.600 0.106 0.000 1.033 268 S CA 1.878 60.227 58.200 0.248 0.000 1.011 268 S CB -0.441 62.876 63.200 0.195 0.000 0.852 268 S HN 0.579 nan 8.310 nan 0.000 0.457 269 M N 0.969 120.602 119.600 0.055 0.000 2.200 269 M HA -0.013 4.467 4.480 0.001 0.000 0.265 269 M C 2.557 178.876 176.300 0.031 0.000 1.066 269 M CA 1.213 56.532 55.300 0.032 0.000 1.127 269 M CB -0.597 32.011 32.600 0.013 0.000 1.379 269 M HN 0.412 nan 8.290 nan 0.000 0.420 270 A N 0.118 122.958 122.820 0.033 0.000 1.933 270 A HA -0.089 4.231 4.320 0.001 0.000 0.218 270 A C 2.243 179.835 177.584 0.013 0.000 1.175 270 A CA 1.403 53.451 52.037 0.018 0.000 0.628 270 A CB -0.952 18.058 19.000 0.016 0.000 0.814 270 A HN 0.278 nan 8.150 nan 0.000 0.444 271 V N -0.240 119.696 119.914 0.036 0.000 2.252 271 V HA -0.290 3.831 4.120 0.001 0.000 0.249 271 V C 2.531 178.642 176.094 0.028 0.000 1.056 271 V CA 2.204 64.519 62.300 0.026 0.000 1.022 271 V CB -0.797 31.068 31.823 0.070 0.000 0.641 271 V HN 0.509 nan 8.190 nan 0.000 0.445 272 L N -0.733 120.514 121.223 0.040 0.000 2.093 272 L HA -0.106 4.235 4.340 0.001 0.000 0.208 272 L C 2.527 179.410 176.870 0.021 0.000 1.085 272 L CA 1.791 56.652 54.840 0.035 0.000 0.755 272 L CB -0.764 41.315 42.059 0.034 0.000 0.904 272 L HN 0.186 nan 8.230 nan 0.000 0.435 273 R N -0.776 119.732 120.500 0.015 0.000 2.075 273 R HA -0.178 4.163 4.340 0.001 0.000 0.232 273 R C 2.253 178.551 176.300 -0.003 0.000 1.126 273 R CA 1.171 57.276 56.100 0.008 0.000 0.963 273 R CB -0.183 30.120 30.300 0.006 0.000 0.858 273 R HN 0.216 nan 8.270 nan 0.000 0.435 274 E N 0.645 120.836 120.200 -0.016 0.000 2.107 274 E HA -0.121 4.230 4.350 0.001 0.000 0.191 274 E C 1.488 178.070 176.600 -0.031 0.000 0.982 274 E CA 1.077 57.456 56.400 -0.035 0.000 0.809 274 E CB -0.064 29.594 29.700 -0.070 0.000 0.756 274 E HN 0.116 nan 8.360 nan 0.000 0.459 275 I N -0.144 120.417 120.570 -0.016 0.000 2.394 275 I HA 0.076 4.247 4.170 0.001 0.000 0.251 275 I C 1.638 177.763 176.117 0.015 0.000 1.136 275 I CA 1.519 62.824 61.300 0.008 0.000 1.425 275 I CB -0.193 37.841 38.000 0.057 0.000 1.079 275 I HN 0.370 nan 8.210 nan 0.000 0.425 276 G N -0.169 108.639 108.800 0.013 0.000 2.145 276 G HA2 -0.158 3.803 3.960 0.001 0.000 0.176 276 G HA3 -0.158 3.803 3.960 0.001 0.000 0.176 276 G C 0.073 174.985 174.900 0.020 0.000 1.013 276 G CA -0.071 45.038 45.100 0.015 0.000 0.689 276 G HN 0.107 nan 8.290 nan 0.000 0.506 277 V N 0.714 120.642 119.914 0.024 0.000 2.372 277 V HA 0.393 4.513 4.120 0.001 0.000 0.261 277 V C 1.004 177.114 176.094 0.026 0.000 1.055 277 V CA 0.478 62.793 62.300 0.026 0.000 0.930 277 V CB 1.175 33.015 31.823 0.029 0.000 1.031 277 V HN 0.486 nan 8.190 nan 0.000 0.479 278 E N 2.113 122.329 120.200 0.026 0.000 2.562 278 E HA 0.101 4.452 4.350 0.001 0.000 0.214 278 E C 0.287 176.907 176.600 0.035 0.000 0.979 278 E CA 0.257 56.673 56.400 0.028 0.000 1.002 278 E CB 0.906 30.620 29.700 0.023 0.000 1.048 278 E HN 0.807 nan 8.360 nan 0.000 0.488 279 T N -0.899 113.676 114.554 0.035 0.000 3.866 279 T HA 0.576 4.926 4.350 0.001 0.000 0.241 279 T C 0.075 174.804 174.700 0.049 0.000 1.017 279 T CA -0.329 61.797 62.100 0.043 0.000 1.300 279 T CB 1.056 69.943 68.868 0.033 0.000 0.968 279 T HN 0.183 nan 8.240 nan 0.000 0.595 280 G N -0.245 108.587 108.800 0.053 0.000 2.323 280 G HA2 0.584 4.544 3.960 0.001 0.000 0.291 280 G HA3 0.584 4.544 3.960 0.001 0.000 0.291 280 G C -0.654 174.278 174.900 0.053 0.000 1.278 280 G CA -0.177 44.958 45.100 0.058 0.000 0.860 280 G HN 0.536 nan 8.290 nan 0.000 0.504 281 G N -1.128 107.705 108.800 0.054 0.000 2.511 281 G HA2 0.694 4.655 3.960 0.001 0.000 0.316 281 G HA3 0.694 4.655 3.960 0.001 0.000 0.316 281 G C -0.520 174.401 174.900 0.036 0.000 1.210 281 G CA 0.290 45.415 45.100 0.042 0.000 0.969 281 G HN 1.321 nan 8.290 nan 0.000 0.492 282 S N -0.895 114.821 115.700 0.027 0.000 2.552 282 S HA 0.327 4.798 4.470 0.001 0.000 0.272 282 S C -1.037 173.573 174.600 0.016 0.000 1.150 282 S CA -0.888 57.325 58.200 0.022 0.000 0.849 282 S CB 1.833 65.046 63.200 0.020 0.000 1.113 282 S HN 0.767 nan 8.310 nan 0.000 0.458 283 N N 1.534 120.237 118.700 0.006 0.000 2.400 283 N HA 0.556 5.297 4.740 0.001 0.000 0.288 283 N C -1.510 173.978 175.510 -0.036 0.000 1.024 283 N CA -0.221 52.829 53.050 -0.000 0.000 0.894 283 N CB 1.162 39.651 38.487 0.003 0.000 1.173 283 N HN 0.358 nan 8.380 nan 0.000 0.487 284 V N 3.101 122.999 119.914 -0.026 0.000 2.487 284 V HA 0.342 4.462 4.120 0.001 0.000 0.298 284 V C -0.326 175.649 176.094 -0.198 0.000 1.028 284 V CA -0.768 61.448 62.300 -0.140 0.000 0.860 284 V CB 1.676 33.446 31.823 -0.089 0.000 0.991 284 V HN 0.655 nan 8.190 nan 0.000 0.427 285 Q N 3.122 122.699 119.800 -0.372 0.000 2.274 285 Q HA 0.770 5.111 4.340 0.001 0.000 0.260 285 Q C -1.589 174.121 176.000 -0.483 0.000 0.974 285 Q CA -0.322 55.333 55.803 -0.247 0.000 0.876 285 Q CB 2.576 31.210 28.738 -0.173 0.000 1.297 285 Q HN 0.662 nan 8.270 nan 0.000 0.446 286 F N -0.160 119.844 119.950 0.091 0.000 2.650 286 F HA 0.794 5.321 4.527 0.001 0.000 0.320 286 F C -0.518 175.393 175.800 0.186 0.000 1.091 286 F CA -1.087 56.989 58.000 0.126 0.000 0.962 286 F CB 1.708 40.781 39.000 0.120 0.000 1.363 286 F HN 0.515 nan 8.300 nan 0.000 0.482 287 A N 0.766 123.856 122.820 0.449 0.000 2.386 287 A HA 0.865 5.185 4.320 0.001 0.000 0.311 287 A C -1.835 176.084 177.584 0.557 0.000 1.068 287 A CA -0.720 51.595 52.037 0.463 0.000 0.743 287 A CB 1.587 20.815 19.000 0.379 0.000 1.258 287 A HN 0.514 nan 8.150 nan 0.000 0.429 288 V N 2.540 122.759 119.914 0.509 0.000 2.588 288 V HA 0.320 4.441 4.120 0.001 0.000 0.304 288 V C -0.366 175.670 176.094 -0.098 0.000 1.042 288 V CA -0.953 61.491 62.300 0.240 0.000 0.877 288 V CB 1.958 33.892 31.823 0.185 0.000 0.996 288 V HN 0.902 nan 8.190 nan 0.000 0.425 289 N N 7.309 125.580 118.700 -0.715 0.000 2.402 289 N HA 0.208 4.948 4.740 0.001 0.000 0.252 289 N C -1.292 173.908 175.510 -0.516 0.000 1.118 289 N CA -1.909 50.361 53.050 -1.302 0.000 0.945 289 N CB 1.668 39.138 38.487 -1.696 0.000 1.147 289 N HN 0.319 nan 8.380 nan 0.000 0.495 290 P HA -0.163 nan 4.420 nan 0.000 0.220 290 P C 0.638 177.857 177.300 -0.134 0.000 1.144 290 P CA 1.291 64.319 63.100 -0.120 0.000 0.800 290 P CB 0.467 32.161 31.700 -0.009 0.000 0.772 291 K N -0.399 119.889 120.400 -0.187 0.000 2.296 291 K HA -0.048 4.272 4.320 0.001 0.000 0.200 291 K C 0.821 177.348 176.600 -0.123 0.000 1.048 291 K CA 1.261 57.470 56.287 -0.130 0.000 0.966 291 K CB -0.056 32.380 32.500 -0.106 0.000 0.754 291 K HN 0.276 nan 8.250 nan 0.000 0.466 292 N N -2.600 116.003 118.700 -0.163 0.000 2.073 292 N HA 0.056 4.797 4.740 0.001 0.000 0.227 292 N C 0.561 175.999 175.510 -0.120 0.000 1.367 292 N CA 0.403 53.382 53.050 -0.118 0.000 0.775 292 N CB 0.526 38.954 38.487 -0.097 0.000 1.234 292 N HN 0.058 nan 8.380 nan 0.000 0.512 293 G N 0.987 109.696 108.800 -0.150 0.000 2.184 293 G HA2 -0.405 3.556 3.960 0.001 0.000 0.264 293 G HA3 -0.405 3.556 3.960 0.001 0.000 0.264 293 G C 0.062 174.893 174.900 -0.115 0.000 0.975 293 G CA 0.284 45.308 45.100 -0.126 0.000 0.642 293 G HN 0.618 nan 8.290 nan 0.000 0.536 294 R N 0.004 120.423 120.500 -0.135 0.000 2.485 294 R HA 0.209 4.549 4.340 0.001 0.000 0.304 294 R C -0.176 176.156 176.300 0.053 0.000 0.934 294 R CA -0.058 56.017 56.100 -0.041 0.000 1.102 294 R CB -0.068 30.219 30.300 -0.021 0.000 0.906 294 R HN 0.327 nan 8.270 nan 0.000 0.407 295 L N 7.210 128.499 121.223 0.110 0.000 2.265 295 L HA 0.442 4.783 4.340 0.001 0.000 0.289 295 L C -0.809 176.221 176.870 0.266 0.000 1.033 295 L CA -0.137 54.801 54.840 0.163 0.000 0.814 295 L CB 1.239 43.320 42.059 0.037 0.000 1.203 295 L HN 0.546 nan 8.230 nan 0.000 0.423 296 I N 5.380 126.168 120.570 0.363 0.000 2.433 296 I HA 0.404 4.574 4.170 0.001 0.000 0.292 296 I C -0.505 175.789 176.117 0.296 0.000 1.001 296 I CA -1.036 60.436 61.300 0.287 0.000 1.119 296 I CB 2.132 40.264 38.000 0.220 0.000 1.289 296 I HN 0.261 nan 8.210 nan 0.000 0.438 297 V N 6.270 126.306 119.914 0.204 0.000 2.732 297 V HA 0.221 4.342 4.120 0.001 0.000 0.297 297 V C 0.792 176.903 176.094 0.029 0.000 1.060 297 V CA -0.285 62.041 62.300 0.043 0.000 1.038 297 V CB 1.707 33.542 31.823 0.021 0.000 1.003 297 V HN 0.582 nan 8.190 nan 0.000 0.481 298 I N 1.621 122.135 120.570 -0.093 0.000 3.366 298 I HA 0.280 4.450 4.170 0.001 0.000 0.267 298 I C 0.828 176.812 176.117 -0.222 0.000 1.149 298 I CA 0.775 62.013 61.300 -0.102 0.000 1.436 298 I CB -0.039 37.889 38.000 -0.120 0.000 1.379 298 I HN 1.030 nan 8.210 nan 0.000 0.460 299 E N 1.044 121.012 120.200 -0.387 0.000 2.435 299 E HA 0.519 4.869 4.350 0.001 0.000 0.277 299 E C -0.921 175.296 176.600 -0.638 0.000 1.106 299 E CA -0.900 55.032 56.400 -0.780 0.000 0.868 299 E CB 1.870 31.242 29.700 -0.546 0.000 1.454 299 E HN 0.011 nan 8.360 nan 0.000 0.452 300 M N 0.729 119.899 119.600 -0.717 0.000 2.371 300 M HA 0.580 5.060 4.480 0.001 0.000 0.287 300 M C -2.168 173.985 176.300 -0.244 0.000 1.149 300 M CA -0.480 54.641 55.300 -0.299 0.000 0.929 300 M CB 2.385 34.974 32.600 -0.018 0.000 1.683 300 M HN 0.376 nan 8.290 nan 0.000 0.470 301 N N 4.112 122.730 118.700 -0.137 0.000 2.518 301 N HA 0.395 5.135 4.740 0.001 0.000 0.254 301 N C -2.615 172.870 175.510 -0.042 0.000 0.979 301 N CA -1.203 51.787 53.050 -0.100 0.000 0.930 301 N CB 1.742 40.191 38.487 -0.062 0.000 1.152 301 N HN 0.563 nan 8.380 nan 0.000 0.505 302 P HA 0.006 nan 4.420 nan 0.000 0.262 302 P C -0.346 176.957 177.300 0.004 0.000 1.647 302 P CA 0.419 63.514 63.100 -0.009 0.000 0.865 302 P CB -0.240 31.450 31.700 -0.016 0.000 1.834 303 R N -2.310 118.203 120.500 0.022 0.000 2.789 303 R HA 0.459 4.800 4.340 0.001 0.000 0.279 303 R C -0.815 175.539 176.300 0.090 0.000 1.010 303 R CA -1.070 55.058 56.100 0.047 0.000 0.855 303 R CB -0.033 30.287 30.300 0.032 0.000 1.312 303 R HN -0.162 nan 8.270 nan 0.000 0.479 304 V N -0.305 119.692 119.914 0.139 0.000 3.133 304 V HA 0.742 4.863 4.120 0.001 0.000 0.305 304 V C 0.230 176.497 176.094 0.289 0.000 1.084 304 V CA 0.336 62.745 62.300 0.183 0.000 1.089 304 V CB 1.080 33.016 31.823 0.188 0.000 1.073 304 V HN 1.052 nan 8.190 nan 0.000 0.477 305 S N 1.796 117.611 115.700 0.192 0.000 2.752 305 S HA 0.464 4.934 4.470 0.001 0.000 0.284 305 S C 0.638 175.203 174.600 -0.058 0.000 1.189 305 S CA -0.491 57.798 58.200 0.148 0.000 0.835 305 S CB 1.572 64.848 63.200 0.127 0.000 1.192 305 S HN 1.070 nan 8.310 nan 0.000 0.506 306 R N 0.326 120.783 120.500 -0.070 0.000 2.148 306 R HA 0.119 4.459 4.340 0.001 0.000 0.223 306 R C 1.614 177.894 176.300 -0.033 0.000 1.088 306 R CA 1.665 57.696 56.100 -0.115 0.000 0.985 306 R CB -0.876 29.375 30.300 -0.083 0.000 0.880 306 R HN 0.414 nan 8.270 nan 0.000 0.451 307 S N 1.086 116.793 115.700 0.011 0.000 2.395 307 S HA -0.092 4.378 4.470 0.001 0.000 0.225 307 S C 1.994 176.619 174.600 0.042 0.000 1.027 307 S CA 1.260 59.477 58.200 0.029 0.000 0.965 307 S CB 0.027 63.248 63.200 0.035 0.000 0.812 307 S HN 0.651 nan 8.310 nan 0.000 0.482 308 S N 1.735 117.468 115.700 0.054 0.000 2.428 308 S HA 0.149 4.620 4.470 0.001 0.000 0.230 308 S C 1.928 176.605 174.600 0.128 0.000 1.014 308 S CA 0.729 58.979 58.200 0.084 0.000 0.957 308 S CB -0.315 62.941 63.200 0.092 0.000 0.784 308 S HN 0.445 nan 8.310 nan 0.000 0.499 309 A N 1.961 124.844 122.820 0.105 0.000 1.897 309 A HA 0.183 4.504 4.320 0.001 0.000 0.215 309 A C 2.172 179.778 177.584 0.037 0.000 1.181 309 A CA 1.292 53.412 52.037 0.139 0.000 0.620 309 A CB -0.911 18.118 19.000 0.049 0.000 0.821 309 A HN 0.523 nan 8.150 nan 0.000 0.443 310 L N 0.178 121.412 121.223 0.017 0.000 1.990 310 L HA -0.150 4.191 4.340 0.001 0.000 0.213 310 L C 2.656 179.552 176.870 0.042 0.000 1.072 310 L CA 2.529 57.379 54.840 0.016 0.000 0.755 310 L CB -0.939 41.131 42.059 0.018 0.000 0.889 310 L HN 0.348 nan 8.230 nan 0.000 0.432 311 A N -1.324 121.534 122.820 0.062 0.000 1.917 311 A HA -0.244 4.076 4.320 0.001 0.000 0.219 311 A C 2.379 180.041 177.584 0.130 0.000 1.182 311 A CA 2.268 54.351 52.037 0.076 0.000 0.633 311 A CB -1.133 17.900 19.000 0.055 0.000 0.819 311 A HN 0.597 nan 8.150 nan 0.000 0.448 312 S N -0.150 115.654 115.700 0.174 0.000 2.359 312 S HA -0.149 4.322 4.470 0.001 0.000 0.224 312 S C 2.008 176.765 174.600 0.261 0.000 1.035 312 S CA 1.503 59.867 58.200 0.274 0.000 1.018 312 S CB -0.205 63.217 63.200 0.370 0.000 0.876 312 S HN 0.526 nan 8.310 nan 0.000 0.448 313 K N 1.639 122.129 120.400 0.151 0.000 2.148 313 K HA 0.137 4.457 4.320 0.001 0.000 0.204 313 K C 2.231 178.932 176.600 0.169 0.000 1.050 313 K CA 1.081 57.457 56.287 0.149 0.000 0.942 313 K CB -0.638 31.865 32.500 0.006 0.000 0.724 313 K HN 0.376 nan 8.250 nan 0.000 0.446 314 A N 1.178 124.053 122.820 0.091 0.000 2.015 314 A HA -0.111 4.210 4.320 0.001 0.000 0.219 314 A C 2.167 179.870 177.584 0.199 0.000 1.163 314 A CA 2.157 54.242 52.037 0.080 0.000 0.646 314 A CB -0.465 18.572 19.000 0.060 0.000 0.806 314 A HN 0.480 nan 8.150 nan 0.000 0.448 315 T N -6.193 108.503 114.554 0.237 0.000 3.000 315 T HA 0.429 4.780 4.350 0.001 0.000 0.248 315 T C 1.462 176.385 174.700 0.371 0.000 1.034 315 T CA 1.121 63.380 62.100 0.266 0.000 1.060 315 T CB 0.356 69.351 68.868 0.211 0.000 0.983 315 T HN 1.642 nan 8.240 nan 0.000 0.482 316 G N 1.228 110.306 108.800 0.463 0.000 2.175 316 G HA2 -0.204 3.757 3.960 0.001 0.000 0.244 316 G HA3 -0.204 3.757 3.960 0.001 0.000 0.244 316 G C -0.206 174.987 174.900 0.489 0.000 0.982 316 G CA -0.024 45.392 45.100 0.527 0.000 0.641 316 G HN 0.644 nan 8.290 nan 0.000 0.527 317 F N 3.790 123.920 119.950 0.300 0.000 2.404 317 F HA 0.603 5.130 4.527 0.001 0.000 0.358 317 F C -1.969 173.981 175.800 0.250 0.000 1.120 317 F CA -3.174 54.979 58.000 0.256 0.000 1.144 317 F CB 1.557 40.646 39.000 0.149 0.000 1.133 317 F HN -0.056 nan 8.300 nan 0.000 0.495 318 P HA 0.188 nan 4.420 nan 0.000 0.251 318 P C 1.090 178.562 177.300 0.285 0.000 1.718 318 P CA 0.153 63.418 63.100 0.274 0.000 1.119 318 P CB 0.238 32.008 31.700 0.117 0.000 1.762 319 I N 2.321 123.139 120.570 0.414 0.000 2.087 319 I HA -0.369 3.802 4.170 0.001 0.000 0.240 319 I C 2.423 178.644 176.117 0.173 0.000 1.054 319 I CA 2.130 63.631 61.300 0.335 0.000 1.311 319 I CB -0.981 37.152 38.000 0.222 0.000 1.024 319 I HN 0.206 nan 8.210 nan 0.000 0.402 320 A N 0.388 123.247 122.820 0.064 0.000 1.917 320 A HA -0.278 4.043 4.320 0.001 0.000 0.219 320 A C 2.375 179.950 177.584 -0.015 0.000 1.182 320 A CA 2.045 54.075 52.037 -0.013 0.000 0.633 320 A CB -0.616 18.294 19.000 -0.150 0.000 0.819 320 A HN 0.367 nan 8.150 nan 0.000 0.448 321 K N -0.683 119.697 120.400 -0.034 0.000 2.002 321 K HA -0.099 4.222 4.320 0.001 0.000 0.209 321 K C 1.995 178.599 176.600 0.007 0.000 1.048 321 K CA 1.578 57.846 56.287 -0.031 0.000 0.930 321 K CB -0.422 32.051 32.500 -0.045 0.000 0.714 321 K HN 0.304 nan 8.250 nan 0.000 0.438 322 V N 1.242 121.185 119.914 0.048 0.000 2.233 322 V HA -0.303 3.818 4.120 0.001 0.000 0.247 322 V C 2.358 178.510 176.094 0.097 0.000 1.050 322 V CA 2.156 64.504 62.300 0.080 0.000 1.010 322 V CB -0.765 31.170 31.823 0.186 0.000 0.637 322 V HN 0.431 nan 8.190 nan 0.000 0.444 323 A N -0.134 122.753 122.820 0.111 0.000 1.948 323 A HA -0.216 4.105 4.320 0.001 0.000 0.220 323 A C 2.416 180.036 177.584 0.060 0.000 1.177 323 A CA 2.429 54.519 52.037 0.089 0.000 0.636 323 A CB -0.881 18.167 19.000 0.081 0.000 0.815 323 A HN 0.641 nan 8.150 nan 0.000 0.449 324 A N -0.531 122.312 122.820 0.038 0.000 1.908 324 A HA -0.191 4.130 4.320 0.001 0.000 0.218 324 A C 2.120 179.726 177.584 0.037 0.000 1.181 324 A CA 2.049 54.096 52.037 0.017 0.000 0.627 324 A CB -0.404 18.595 19.000 -0.002 0.000 0.818 324 A HN 0.534 nan 8.150 nan 0.000 0.445 325 K N -1.090 119.351 120.400 0.070 0.000 2.155 325 K HA 0.046 4.366 4.320 0.001 0.000 0.203 325 K C 1.551 178.298 176.600 0.245 0.000 1.052 325 K CA 0.671 57.056 56.287 0.162 0.000 0.948 325 K CB -0.161 32.360 32.500 0.035 0.000 0.728 325 K HN 0.299 nan 8.250 nan 0.000 0.448 326 L N 0.347 121.663 121.223 0.155 0.000 2.201 326 L HA -0.056 4.284 4.340 0.001 0.000 0.212 326 L C 2.105 179.029 176.870 0.089 0.000 1.105 326 L CA 1.370 56.296 54.840 0.144 0.000 0.775 326 L CB -0.771 41.356 42.059 0.113 0.000 0.913 326 L HN 0.116 nan 8.230 nan 0.000 0.440 327 A N -0.512 122.342 122.820 0.056 0.000 1.972 327 A HA -0.101 4.219 4.320 0.001 0.000 0.219 327 A C 1.725 179.291 177.584 -0.031 0.000 1.169 327 A CA 1.560 53.600 52.037 0.005 0.000 0.635 327 A CB -0.726 18.263 19.000 -0.019 0.000 0.810 327 A HN 0.286 nan 8.150 nan 0.000 0.446 328 V N -3.923 115.976 119.914 -0.024 0.000 3.189 328 V HA 0.605 4.725 4.120 0.001 0.000 0.366 328 V C 1.075 177.140 176.094 -0.048 0.000 1.313 328 V CA 0.496 62.746 62.300 -0.082 0.000 1.302 328 V CB -0.987 30.687 31.823 -0.250 0.000 1.260 328 V HN 1.342 nan 8.190 nan 0.000 0.484 329 G N -0.435 108.346 108.800 -0.032 0.000 2.258 329 G HA2 -0.299 3.662 3.960 0.001 0.000 0.233 329 G HA3 -0.299 3.662 3.960 0.001 0.000 0.233 329 G C -0.024 174.809 174.900 -0.112 0.000 1.006 329 G CA 0.160 45.204 45.100 -0.093 0.000 0.620 329 G HN 0.597 nan 8.290 nan 0.000 0.511 330 Y N 2.375 122.707 120.300 0.052 0.000 2.426 330 Y HA 0.424 4.974 4.550 0.001 0.000 0.344 330 Y C 1.558 177.488 175.900 0.050 0.000 1.256 330 Y CA 0.918 59.050 58.100 0.053 0.000 1.451 330 Y CB 0.683 39.176 38.460 0.056 0.000 1.342 330 Y HN 0.314 nan 8.280 nan 0.000 0.600 331 T N -1.342 113.357 114.554 0.243 0.000 2.940 331 T HA 0.388 4.739 4.350 0.001 0.000 0.288 331 T C 0.836 175.631 174.700 0.158 0.000 1.033 331 T CA -0.937 61.257 62.100 0.158 0.000 1.033 331 T CB 1.069 70.003 68.868 0.111 0.000 1.079 331 T HN 0.627 nan 8.240 nan 0.000 0.496 332 L N 0.984 122.291 121.223 0.139 0.000 2.013 332 L HA -0.145 4.196 4.340 0.001 0.000 0.212 332 L C 2.702 179.647 176.870 0.126 0.000 1.073 332 L CA 1.999 56.927 54.840 0.147 0.000 0.753 332 L CB -0.712 41.449 42.059 0.170 0.000 0.890 332 L HN 0.845 nan 8.230 nan 0.000 0.432 333 D N -0.047 120.419 120.400 0.110 0.000 2.221 333 D HA -0.239 4.402 4.640 0.001 0.000 0.204 333 D C 1.546 177.887 176.300 0.069 0.000 0.982 333 D CA 1.338 55.388 54.000 0.084 0.000 0.857 333 D CB -0.385 40.459 40.800 0.073 0.000 0.934 333 D HN 0.502 nan 8.370 nan 0.000 0.475 334 E N -0.215 120.042 120.200 0.094 0.000 2.435 334 E HA 0.131 4.481 4.350 0.001 0.000 0.195 334 E C 0.430 177.053 176.600 0.038 0.000 1.029 334 E CA 0.015 56.475 56.400 0.099 0.000 0.865 334 E CB 0.256 30.077 29.700 0.202 0.000 0.833 334 E HN 0.352 nan 8.360 nan 0.000 0.510 335 L N 1.124 122.355 121.223 0.013 0.000 2.334 335 L HA 0.324 4.665 4.340 0.001 0.000 0.275 335 L C 0.059 176.898 176.870 -0.052 0.000 1.036 335 L CA -0.931 53.871 54.840 -0.063 0.000 0.807 335 L CB 0.925 42.941 42.059 -0.073 0.000 1.231 335 L HN -0.036 nan 8.230 nan 0.000 0.438 336 M N 1.947 121.496 119.600 -0.084 0.000 2.277 336 M HA 0.193 4.674 4.480 0.001 0.000 0.350 336 M C -0.194 176.041 176.300 -0.108 0.000 1.180 336 M CA -0.676 54.569 55.300 -0.092 0.000 1.103 336 M CB 0.656 33.202 32.600 -0.089 0.000 1.577 336 M HN 0.425 nan 8.290 nan 0.000 0.459 337 N N 2.036 120.656 118.700 -0.132 0.000 2.405 337 N HA 0.013 4.753 4.740 0.001 0.000 0.260 337 N C 0.418 175.859 175.510 -0.116 0.000 1.152 337 N CA 0.297 53.266 53.050 -0.135 0.000 0.948 337 N CB 0.430 38.802 38.487 -0.191 0.000 1.111 337 N HN 0.416 nan 8.380 nan 0.000 0.485 338 D N 2.803 123.148 120.400 -0.092 0.000 2.205 338 D HA -0.251 4.389 4.640 0.001 0.000 0.190 338 D C 1.726 177.962 176.300 -0.107 0.000 1.002 338 D CA 2.076 56.045 54.000 -0.052 0.000 0.848 338 D CB -0.211 40.634 40.800 0.075 0.000 0.975 338 D HN 0.803 nan 8.370 nan 0.000 0.449 339 I N -1.037 119.438 120.570 -0.158 0.000 2.756 339 I HA -0.083 4.088 4.170 0.001 0.000 0.262 339 I C 1.004 177.073 176.117 -0.081 0.000 1.225 339 I CA 1.308 62.497 61.300 -0.184 0.000 1.472 339 I CB -0.620 37.202 38.000 -0.297 0.000 1.094 339 I HN -0.086 nan 8.210 nan 0.000 0.454 340 T N -1.057 113.456 114.554 -0.069 0.000 3.332 340 T HA 0.468 4.819 4.350 0.001 0.000 0.246 340 T C 1.325 175.980 174.700 -0.074 0.000 0.943 340 T CA 0.042 62.110 62.100 -0.054 0.000 0.922 340 T CB -0.473 68.335 68.868 -0.099 0.000 1.086 340 T HN 0.674 nan 8.240 nan 0.000 0.590 341 G N 1.023 109.784 108.800 -0.065 0.000 2.296 341 G HA2 -0.028 3.933 3.960 0.001 0.000 0.282 341 G HA3 -0.028 3.933 3.960 0.001 0.000 0.282 341 G C 1.083 175.940 174.900 -0.072 0.000 1.014 341 G CA 0.085 45.152 45.100 -0.056 0.000 0.812 341 G HN 1.823 nan 8.290 nan 0.000 0.508 342 G N -0.444 108.299 108.800 -0.094 0.000 2.258 342 G HA2 -0.322 3.638 3.960 0.001 0.000 0.274 342 G HA3 -0.322 3.638 3.960 0.001 0.000 0.274 342 G C 1.308 176.134 174.900 -0.122 0.000 1.021 342 G CA 1.522 46.560 45.100 -0.104 0.000 0.798 342 G HN 1.606 nan 8.290 nan 0.000 0.507 343 R N -0.625 119.782 120.500 -0.155 0.000 2.066 343 R HA 0.104 4.445 4.340 0.001 0.000 0.224 343 R C 1.477 177.618 176.300 -0.264 0.000 1.122 343 R CA 1.365 57.359 56.100 -0.177 0.000 0.974 343 R CB -0.623 29.577 30.300 -0.166 0.000 0.871 343 R HN 0.762 nan 8.270 nan 0.000 0.435 344 T N 0.108 114.436 114.554 -0.376 0.000 2.927 344 T HA 0.509 4.860 4.350 0.001 0.000 0.281 344 T C -2.500 172.013 174.700 -0.312 0.000 0.998 344 T CA -2.451 59.375 62.100 -0.458 0.000 1.019 344 T CB 2.176 70.570 68.868 -0.789 0.000 1.061 344 T HN 0.007 nan 8.240 nan 0.000 0.518 345 P HA 0.352 nan 4.420 nan 0.000 0.277 345 P C 0.140 177.445 177.300 0.008 0.000 1.271 345 P CA -0.565 62.483 63.100 -0.087 0.000 0.795 345 P CB 0.509 32.202 31.700 -0.012 0.000 1.101 346 A N -0.067 122.822 122.820 0.115 0.000 2.251 346 A HA 0.053 4.374 4.320 0.001 0.000 0.209 346 A C 1.061 178.935 177.584 0.483 0.000 1.187 346 A CA 0.406 52.606 52.037 0.272 0.000 0.823 346 A CB -1.117 17.927 19.000 0.074 0.000 0.846 346 A HN 0.531 nan 8.150 nan 0.000 0.486 347 S N 0.782 116.699 115.700 0.361 0.000 4.087 347 S HA 0.562 5.032 4.470 0.001 0.000 0.213 347 S C -0.334 174.518 174.600 0.419 0.000 1.415 347 S CA -0.621 57.768 58.200 0.315 0.000 0.893 347 S CB -1.418 61.896 63.200 0.190 0.000 1.529 347 S HN 0.740 nan 8.310 nan 0.000 0.457 348 F N -1.810 118.239 119.950 0.164 0.000 2.741 348 F HA 0.651 5.179 4.527 0.001 0.000 0.311 348 F C -1.179 174.706 175.800 0.142 0.000 1.149 348 F CA -1.310 56.770 58.000 0.134 0.000 0.930 348 F CB 0.849 39.926 39.000 0.128 0.000 1.312 348 F HN 0.102 nan 8.300 nan 0.000 0.450 349 E N 2.444 122.515 120.200 -0.214 0.000 2.175 349 E HA 0.404 4.754 4.350 0.001 0.000 0.278 349 E C -2.564 173.826 176.600 -0.350 0.000 0.969 349 E CA -1.943 54.242 56.400 -0.359 0.000 0.796 349 E CB 1.552 31.189 29.700 -0.106 0.000 1.104 349 E HN 0.305 nan 8.360 nan 0.000 0.395 350 P HA 0.023 nan 4.420 nan 0.000 0.272 350 P C -0.882 176.422 177.300 0.008 0.000 1.223 350 P CA -0.117 62.932 63.100 -0.083 0.000 0.784 350 P CB 0.825 32.498 31.700 -0.045 0.000 0.923 351 S N 1.372 117.124 115.700 0.086 0.000 2.571 351 S HA 0.739 5.210 4.470 0.001 0.000 0.284 351 S C -0.687 173.880 174.600 -0.055 0.000 1.128 351 S CA -0.769 57.430 58.200 -0.001 0.000 0.970 351 S CB 0.066 63.276 63.200 0.017 0.000 1.039 351 S HN 0.368 nan 8.310 nan 0.000 0.485 352 I N 1.612 122.065 120.570 -0.195 0.000 2.646 352 I HA 0.696 4.867 4.170 0.001 0.000 0.299 352 I C -0.862 174.988 176.117 -0.444 0.000 1.036 352 I CA -0.902 60.127 61.300 -0.452 0.000 1.074 352 I CB 2.308 39.812 38.000 -0.827 0.000 1.258 352 I HN 0.557 nan 8.210 nan 0.000 0.430 353 D N 4.523 124.625 120.400 -0.497 0.000 2.894 353 D HA 0.282 4.923 4.640 0.001 0.000 0.273 353 D C -0.619 175.658 176.300 -0.039 0.000 1.328 353 D CA -0.155 53.739 54.000 -0.177 0.000 0.845 353 D CB -0.279 40.531 40.800 0.017 0.000 1.072 353 D HN 0.748 nan 8.370 nan 0.000 0.484 354 Y N -3.545 116.749 120.300 -0.010 0.000 2.788 354 Y HA 0.644 5.194 4.550 0.001 0.000 0.335 354 Y C -1.651 174.216 175.900 -0.056 0.000 1.287 354 Y CA -1.684 56.387 58.100 -0.048 0.000 1.068 354 Y CB 0.744 39.082 38.460 -0.203 0.000 1.340 354 Y HN -0.213 nan 8.280 nan 0.000 0.449 355 V N 2.019 122.062 119.914 0.216 0.000 2.495 355 V HA 0.630 4.751 4.120 0.001 0.000 0.298 355 V C -0.693 175.489 176.094 0.147 0.000 1.031 355 V CA -0.869 61.525 62.300 0.156 0.000 0.871 355 V CB 1.502 33.427 31.823 0.171 0.000 0.988 355 V HN 0.649 nan 8.190 nan 0.000 0.432 356 V N 3.585 123.573 119.914 0.122 0.000 2.435 356 V HA 0.607 4.728 4.120 0.001 0.000 0.290 356 V C 0.156 176.287 176.094 0.061 0.000 1.030 356 V CA -0.223 62.109 62.300 0.054 0.000 0.881 356 V CB 1.919 33.766 31.823 0.040 0.000 0.983 356 V HN 0.975 nan 8.190 nan 0.000 0.445 357 T N 4.812 119.386 114.554 0.033 0.000 2.876 357 T HA 0.494 4.845 4.350 0.001 0.000 0.289 357 T C -0.638 174.068 174.700 0.010 0.000 1.014 357 T CA -0.738 61.381 62.100 0.031 0.000 0.986 357 T CB 1.754 70.630 68.868 0.013 0.000 1.021 357 T HN 0.679 nan 8.240 nan 0.000 0.458 358 K N 3.524 123.923 120.400 -0.002 0.000 2.426 358 K HA 0.604 4.925 4.320 0.001 0.000 0.254 358 K C -1.543 175.035 176.600 -0.038 0.000 0.936 358 K CA -0.680 55.605 56.287 -0.003 0.000 0.801 358 K CB 1.180 33.686 32.500 0.011 0.000 1.139 358 K HN 0.618 nan 8.250 nan 0.000 0.424 359 I N 5.865 126.411 120.570 -0.040 0.000 2.466 359 I HA 0.347 4.518 4.170 0.001 0.000 0.289 359 I C -2.219 173.873 176.117 -0.043 0.000 1.026 359 I CA -2.637 58.631 61.300 -0.055 0.000 1.078 359 I CB 2.198 40.148 38.000 -0.083 0.000 1.249 359 I HN 0.485 nan 8.210 nan 0.000 0.429 360 P HA 0.185 nan 4.420 nan 0.000 0.274 360 P C -0.962 176.183 177.300 -0.259 0.000 1.237 360 P CA -0.535 62.435 63.100 -0.216 0.000 0.793 360 P CB 0.917 32.412 31.700 -0.342 0.000 0.977 361 R N 1.731 121.994 120.500 -0.395 0.000 2.437 361 R HA 0.578 4.918 4.340 0.001 0.000 0.310 361 R C -1.216 174.824 176.300 -0.433 0.000 0.955 361 R CA -0.703 55.259 56.100 -0.231 0.000 0.851 361 R CB -0.393 29.831 30.300 -0.125 0.000 1.161 361 R HN 0.299 nan 8.270 nan 0.000 0.446 362 F N 1.673 121.629 119.950 0.010 0.000 2.572 362 F HA 0.466 4.994 4.527 0.002 0.000 0.342 362 F C 0.985 176.720 175.800 -0.109 0.000 1.064 362 F CA -0.665 57.271 58.000 -0.106 0.000 1.008 362 F CB 1.737 40.670 39.000 -0.112 0.000 1.303 362 F HN 0.544 nan 8.300 nan 0.000 0.492 363 N N -0.317 118.373 118.700 -0.017 0.000 2.475 363 N HA 0.190 4.930 4.740 0.001 0.000 0.272 363 N C 0.475 176.009 175.510 0.040 0.000 1.482 363 N CA -0.007 53.056 53.050 0.021 0.000 0.863 363 N CB 0.196 38.716 38.487 0.056 0.000 1.400 363 N HN 0.375 nan 8.380 nan 0.000 0.489 364 F N 1.906 121.950 119.950 0.157 0.000 2.192 364 F HA -0.230 4.298 4.527 0.002 0.000 0.301 364 F C 2.747 178.541 175.800 -0.010 0.000 1.079 364 F CA 1.081 59.121 58.000 0.067 0.000 1.303 364 F CB -0.083 38.934 39.000 0.027 0.000 1.024 364 F HN 0.304 nan 8.300 nan 0.000 0.494 365 E N 1.357 121.642 120.200 0.143 0.000 2.267 365 E HA -0.232 4.119 4.350 0.001 0.000 0.197 365 E C 1.249 177.779 176.600 -0.116 0.000 0.998 365 E CA 1.337 57.747 56.400 0.018 0.000 0.830 365 E CB -0.722 28.977 29.700 -0.001 0.000 0.751 365 E HN 0.412 nan 8.360 nan 0.000 0.491 366 K N -0.140 120.097 120.400 -0.271 0.000 2.444 366 K HA 0.134 4.455 4.320 0.001 0.000 0.193 366 K C -0.416 175.572 176.600 -1.018 0.000 1.024 366 K CA -0.050 55.864 56.287 -0.622 0.000 1.077 366 K CB 0.154 32.160 32.500 -0.824 0.000 0.833 366 K HN 0.036 nan 8.250 nan 0.000 0.517 367 F N 1.089 120.986 119.950 -0.089 0.000 2.443 367 F HA 0.318 4.846 4.527 0.001 0.000 0.369 367 F C 0.007 175.781 175.800 -0.044 0.000 1.090 367 F CA -1.292 56.636 58.000 -0.119 0.000 1.129 367 F CB 1.078 39.817 39.000 -0.435 0.000 1.367 367 F HN -0.172 nan 8.300 nan 0.000 0.465 368 A N 1.806 124.692 122.820 0.109 0.000 2.395 368 A HA 0.538 4.859 4.320 0.001 0.000 0.286 368 A C 1.214 178.859 177.584 0.101 0.000 1.193 368 A CA 0.637 52.719 52.037 0.075 0.000 0.852 368 A CB -0.432 18.592 19.000 0.040 0.000 1.118 368 A HN 1.448 nan 8.150 nan 0.000 0.524 369 G N 1.205 110.050 108.800 0.076 0.000 2.195 369 G HA2 0.154 4.114 3.960 0.001 0.000 0.224 369 G HA3 0.154 4.114 3.960 0.001 0.000 0.224 369 G C 0.555 175.508 174.900 0.090 0.000 0.990 369 G CA 0.095 45.236 45.100 0.068 0.000 0.639 369 G HN 2.069 nan 8.290 nan 0.000 0.514 370 A N 0.462 123.355 122.820 0.122 0.000 2.450 370 A HA 0.540 4.861 4.320 0.001 0.000 0.255 370 A C 0.689 178.328 177.584 0.092 0.000 1.096 370 A CA 0.324 52.456 52.037 0.158 0.000 0.778 370 A CB 0.254 19.330 19.000 0.126 0.000 1.031 370 A HN 0.712 nan 8.150 nan 0.000 0.494 371 N N 1.885 120.651 118.700 0.110 0.000 2.447 371 N HA -0.028 4.712 4.740 0.001 0.000 0.263 371 N C -0.453 175.021 175.510 -0.059 0.000 1.226 371 N CA 0.334 53.398 53.050 0.024 0.000 0.906 371 N CB 0.767 39.290 38.487 0.060 0.000 1.060 371 N HN 0.610 nan 8.380 nan 0.000 0.468 372 D N 2.093 122.305 120.400 -0.313 0.000 2.463 372 D HA 0.109 4.750 4.640 0.001 0.000 0.224 372 D C -0.127 175.765 176.300 -0.679 0.000 1.174 372 D CA -0.273 53.180 54.000 -0.912 0.000 0.829 372 D CB 0.157 40.224 40.800 -1.222 0.000 0.993 372 D HN 0.195 nan 8.370 nan 0.000 0.497 373 R N 0.606 120.946 120.500 -0.267 0.000 2.457 373 R HA 0.430 4.771 4.340 0.001 0.000 0.284 373 R C 0.335 176.624 176.300 -0.018 0.000 1.024 373 R CA -0.709 55.301 56.100 -0.150 0.000 1.025 373 R CB 1.317 31.569 30.300 -0.081 0.000 1.063 373 R HN 0.184 nan 8.270 nan 0.000 0.493 374 L N 1.057 122.287 121.223 0.011 0.000 2.397 374 L HA 0.298 4.639 4.340 0.001 0.000 0.271 374 L C 1.177 178.123 176.870 0.128 0.000 1.148 374 L CA 0.208 55.119 54.840 0.118 0.000 0.825 374 L CB 0.928 43.058 42.059 0.118 0.000 1.117 374 L HN 0.658 nan 8.230 nan 0.000 0.456 375 T N -1.247 113.401 114.554 0.156 0.000 2.612 375 T HA 0.157 4.508 4.350 0.001 0.000 0.296 375 T C 0.938 175.723 174.700 0.142 0.000 1.148 375 T CA 0.354 62.533 62.100 0.132 0.000 1.077 375 T CB 1.095 70.031 68.868 0.113 0.000 1.591 375 T HN 0.721 nan 8.240 nan 0.000 0.479 376 T N -0.437 114.185 114.554 0.112 0.000 3.055 376 T HA 0.132 4.483 4.350 0.001 0.000 0.265 376 T C 0.775 175.560 174.700 0.141 0.000 1.111 376 T CA 0.586 62.772 62.100 0.144 0.000 1.118 376 T CB -0.144 68.775 68.868 0.085 0.000 0.909 376 T HN 0.522 nan 8.240 nan 0.000 0.501 377 Q N 1.151 120.983 119.800 0.053 0.000 2.303 377 Q HA 0.382 4.723 4.340 0.001 0.000 0.257 377 Q C -0.582 175.375 176.000 -0.072 0.000 0.941 377 Q CA -0.492 55.285 55.803 -0.044 0.000 0.931 377 Q CB 0.853 29.553 28.738 -0.062 0.000 1.215 377 Q HN 0.432 nan 8.270 nan 0.000 0.437 378 M N 3.617 123.073 119.600 -0.240 0.000 2.250 378 M HA -0.051 4.430 4.480 0.001 0.000 0.337 378 M C 0.487 176.733 176.300 -0.090 0.000 1.161 378 M CA 1.332 56.523 55.300 -0.182 0.000 1.088 378 M CB 0.438 32.840 32.600 -0.329 0.000 1.639 378 M HN 0.549 nan 8.290 nan 0.000 0.447 379 K N 0.227 120.672 120.400 0.075 0.000 2.517 379 K HA 0.122 4.442 4.320 0.001 0.000 0.210 379 K C -0.114 176.559 176.600 0.122 0.000 1.166 379 K CA -0.131 56.237 56.287 0.136 0.000 1.030 379 K CB 0.812 33.584 32.500 0.452 0.000 0.974 379 K HN 0.755 nan 8.250 nan 0.000 0.585 380 S N 0.228 115.892 115.700 -0.060 0.000 2.586 380 S HA 0.168 4.638 4.470 0.001 0.000 0.274 380 S C 1.116 175.572 174.600 -0.241 0.000 1.281 380 S CA -0.804 57.144 58.200 -0.420 0.000 1.035 380 S CB 1.621 64.308 63.200 -0.856 0.000 0.962 380 S HN 0.030 nan 8.310 nan 0.000 0.512 381 V N -0.840 118.935 119.914 -0.232 0.000 3.660 381 V HA 0.654 4.775 4.120 0.001 0.000 0.276 381 V C 0.841 176.865 176.094 -0.116 0.000 1.317 381 V CA 0.628 62.856 62.300 -0.118 0.000 1.097 381 V CB -0.923 30.870 31.823 -0.050 0.000 0.863 381 V HN 1.215 nan 8.190 nan 0.000 0.438 382 G N 0.393 109.092 108.800 -0.169 0.000 2.427 382 G HA2 0.618 4.578 3.960 0.001 0.000 0.306 382 G HA3 0.618 4.578 3.960 0.001 0.000 0.306 382 G C -1.695 173.118 174.900 -0.146 0.000 1.280 382 G CA -0.056 44.971 45.100 -0.122 0.000 0.837 382 G HN 0.685 nan 8.290 nan 0.000 0.482 383 E N -2.183 117.962 120.200 -0.091 0.000 2.401 383 E HA 0.598 4.949 4.350 0.001 0.000 0.280 383 E C -2.029 174.555 176.600 -0.027 0.000 1.039 383 E CA -0.977 55.380 56.400 -0.073 0.000 0.814 383 E CB 2.254 31.916 29.700 -0.063 0.000 1.275 383 E HN 0.960 nan 8.360 nan 0.000 0.448 384 V N 1.885 121.796 119.914 -0.004 0.000 2.914 384 V HA 0.715 4.836 4.120 0.001 0.000 0.314 384 V C -1.081 175.060 176.094 0.079 0.000 1.084 384 V CA -0.729 61.592 62.300 0.034 0.000 0.963 384 V CB 1.944 33.781 31.823 0.023 0.000 1.025 384 V HN 0.830 nan 8.190 nan 0.000 0.432 385 M N 5.027 124.741 119.600 0.190 0.000 2.591 385 M HA 0.888 5.369 4.480 0.001 0.000 0.306 385 M C -1.045 175.440 176.300 0.308 0.000 1.190 385 M CA -0.502 54.940 55.300 0.238 0.000 0.889 385 M CB 2.065 34.839 32.600 0.290 0.000 1.728 385 M HN 0.876 nan 8.290 nan 0.000 0.458 386 A N 4.018 126.924 122.820 0.144 0.000 2.539 386 A HA 0.836 5.157 4.320 0.001 0.000 0.296 386 A C -1.659 175.908 177.584 -0.029 0.000 1.073 386 A CA -0.731 51.380 52.037 0.123 0.000 0.700 386 A CB 1.496 20.547 19.000 0.085 0.000 1.296 386 A HN 0.847 nan 8.150 nan 0.000 0.405 387 I N 0.964 121.480 120.570 -0.090 0.000 2.474 387 I HA 0.693 4.864 4.170 0.001 0.000 0.294 387 I C 0.524 176.517 176.117 -0.207 0.000 1.005 387 I CA -0.489 60.608 61.300 -0.338 0.000 1.113 387 I CB 2.372 39.835 38.000 -0.895 0.000 1.289 387 I HN 0.815 nan 8.210 nan 0.000 0.436 388 G N 3.823 112.530 108.800 -0.154 0.000 2.690 388 G HA2 0.364 4.325 3.960 0.001 0.000 0.291 388 G HA3 0.364 4.325 3.960 0.001 0.000 0.291 388 G C 0.044 175.009 174.900 0.109 0.000 1.403 388 G CA -0.540 44.588 45.100 0.047 0.000 0.864 388 G HN 0.446 nan 8.290 nan 0.000 0.480 389 R N -0.758 119.871 120.500 0.215 0.000 2.235 389 R HA 0.049 4.390 4.340 0.001 0.000 0.213 389 R C 0.954 177.353 176.300 0.165 0.000 1.059 389 R CA 1.330 57.566 56.100 0.227 0.000 0.997 389 R CB -0.168 30.265 30.300 0.222 0.000 0.884 389 R HN 0.724 nan 8.270 nan 0.000 0.462 390 T N -4.406 110.232 114.554 0.139 0.000 2.896 390 T HA 0.182 4.533 4.350 0.001 0.000 0.297 390 T C 0.673 175.447 174.700 0.124 0.000 1.108 390 T CA -0.889 61.285 62.100 0.124 0.000 1.004 390 T CB 2.291 71.213 68.868 0.090 0.000 1.159 390 T HN -0.203 nan 8.240 nan 0.000 0.499 391 Q N 0.727 120.616 119.800 0.149 0.000 2.077 391 Q HA -0.191 4.150 4.340 0.001 0.000 0.206 391 Q C 2.194 178.257 176.000 0.106 0.000 0.989 391 Q CA 2.260 58.168 55.803 0.176 0.000 0.853 391 Q CB -0.560 28.304 28.738 0.210 0.000 0.907 391 Q HN 0.808 nan 8.270 nan 0.000 0.418 392 Q N -0.294 119.533 119.800 0.044 0.000 2.061 392 Q HA -0.231 4.110 4.340 0.001 0.000 0.204 392 Q C 2.082 178.082 176.000 -0.001 0.000 0.984 392 Q CA 1.752 57.562 55.803 0.011 0.000 0.846 392 Q CB -0.181 28.540 28.738 -0.029 0.000 0.902 392 Q HN 0.601 nan 8.270 nan 0.000 0.421 393 E N -0.180 120.033 120.200 0.022 0.000 2.077 393 E HA -0.194 4.157 4.350 0.001 0.000 0.193 393 E C 2.067 178.689 176.600 0.036 0.000 0.989 393 E CA 1.250 57.667 56.400 0.029 0.000 0.800 393 E CB -0.085 29.665 29.700 0.083 0.000 0.746 393 E HN 0.135 nan 8.360 nan 0.000 0.452 394 S N -0.107 115.626 115.700 0.055 0.000 2.353 394 S HA -0.175 4.296 4.470 0.001 0.000 0.222 394 S C 1.927 176.536 174.600 0.016 0.000 1.035 394 S CA 1.266 59.494 58.200 0.046 0.000 1.025 394 S CB -0.412 62.830 63.200 0.070 0.000 0.902 394 S HN 0.358 nan 8.310 nan 0.000 0.440 395 L N 2.012 123.244 121.223 0.015 0.000 1.989 395 L HA -0.104 4.237 4.340 0.001 0.000 0.211 395 L C 2.457 179.258 176.870 -0.115 0.000 1.071 395 L CA 1.992 56.804 54.840 -0.046 0.000 0.749 395 L CB -1.032 41.032 42.059 0.009 0.000 0.890 395 L HN 0.391 nan 8.230 nan 0.000 0.431 396 Q N -0.581 119.158 119.800 -0.100 0.000 2.124 396 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 396 Q C 2.193 178.134 176.000 -0.098 0.000 0.977 396 Q CA 1.680 57.388 55.803 -0.160 0.000 0.850 396 Q CB -0.169 28.460 28.738 -0.182 0.000 0.901 396 Q HN 0.580 nan 8.270 nan 0.000 0.429 397 K N 0.640 121.019 120.400 -0.036 0.000 2.057 397 K HA -0.103 4.217 4.320 0.001 0.000 0.207 397 K C 2.151 178.755 176.600 0.006 0.000 1.049 397 K CA 1.104 57.399 56.287 0.012 0.000 0.931 397 K CB -0.176 32.363 32.500 0.065 0.000 0.714 397 K HN 0.126 nan 8.250 nan 0.000 0.440 398 A N 1.593 124.404 122.820 -0.016 0.000 1.908 398 A HA -0.163 4.158 4.320 0.001 0.000 0.218 398 A C 2.141 179.698 177.584 -0.044 0.000 1.181 398 A CA 1.329 53.356 52.037 -0.018 0.000 0.627 398 A CB -0.734 18.235 19.000 -0.051 0.000 0.818 398 A HN 0.155 nan 8.150 nan 0.000 0.445 399 L N -0.311 120.844 121.223 -0.114 0.000 1.989 399 L HA -0.260 4.080 4.340 0.001 0.000 0.211 399 L C 2.776 179.644 176.870 -0.002 0.000 1.071 399 L CA 2.098 56.874 54.840 -0.106 0.000 0.749 399 L CB -0.576 41.313 42.059 -0.282 0.000 0.890 399 L HN 0.605 nan 8.230 nan 0.000 0.431 400 R N 0.223 120.715 120.500 -0.013 0.000 2.316 400 R HA -0.012 4.329 4.340 0.001 0.000 0.202 400 R C 1.680 177.994 176.300 0.024 0.000 1.029 400 R CA 1.038 57.148 56.100 0.018 0.000 1.018 400 R CB -0.515 29.796 30.300 0.019 0.000 0.888 400 R HN 0.271 nan 8.270 nan 0.000 0.471 401 G N 0.713 109.527 108.800 0.022 0.000 3.126 401 G HA2 -0.013 3.948 3.960 0.001 0.000 0.224 401 G HA3 -0.013 3.948 3.960 0.001 0.000 0.224 401 G C 0.935 175.846 174.900 0.019 0.000 1.142 401 G CA -0.408 44.705 45.100 0.022 0.000 0.759 401 G HN 0.217 nan 8.290 nan 0.000 0.550 402 L N 0.480 121.724 121.223 0.035 0.000 2.551 402 L HA 0.164 4.505 4.340 0.001 0.000 0.228 402 L C 1.041 177.935 176.870 0.039 0.000 1.153 402 L CA 0.657 55.527 54.840 0.051 0.000 0.851 402 L CB -0.263 41.862 42.059 0.111 0.000 0.959 402 L HN 0.185 nan 8.230 nan 0.000 0.451 403 E N -0.882 119.330 120.200 0.020 0.000 2.476 403 E HA -0.199 4.152 4.350 0.001 0.000 0.251 403 E C 0.805 177.405 176.600 -0.001 0.000 1.130 403 E CA 0.986 57.385 56.400 -0.002 0.000 0.736 403 E CB -2.213 27.475 29.700 -0.021 0.000 1.298 403 E HN 0.495 nan 8.360 nan 0.000 0.400 404 V N -4.331 115.589 119.914 0.010 0.000 3.276 404 V HA 0.604 4.725 4.120 0.001 0.000 0.319 404 V C 1.328 177.378 176.094 -0.074 0.000 1.427 404 V CA 0.882 63.168 62.300 -0.022 0.000 1.102 404 V CB 0.650 32.466 31.823 -0.011 0.000 1.020 404 V HN 0.523 nan 8.190 nan 0.000 0.456 405 G N 0.143 108.911 108.800 -0.052 0.000 2.176 405 G HA2 -0.095 3.865 3.960 0.001 0.000 0.253 405 G HA3 -0.095 3.865 3.960 0.001 0.000 0.253 405 G C 0.467 175.324 174.900 -0.071 0.000 0.979 405 G CA 0.249 45.308 45.100 -0.069 0.000 0.641 405 G HN 1.666 nan 8.290 nan 0.000 0.530 406 A N -0.160 122.632 122.820 -0.047 0.000 2.304 406 A HA 0.808 5.129 4.320 0.001 0.000 0.271 406 A C 1.327 178.935 177.584 0.039 0.000 1.091 406 A CA 1.228 53.267 52.037 0.003 0.000 0.812 406 A CB 0.663 19.764 19.000 0.169 0.000 1.056 406 A HN 1.533 nan 8.150 nan 0.000 0.489 407 T N -2.555 112.033 114.554 0.058 0.000 3.058 407 T HA 0.558 4.909 4.350 0.001 0.000 0.278 407 T C 0.697 175.436 174.700 0.064 0.000 0.974 407 T CA 0.935 63.068 62.100 0.055 0.000 0.893 407 T CB -0.194 68.707 68.868 0.055 0.000 1.138 407 T HN 2.295 nan 8.240 nan 0.000 0.529 408 G N 1.393 110.231 108.800 0.063 0.000 2.470 408 G HA2 0.237 4.198 3.960 0.001 0.000 0.145 408 G HA3 0.237 4.198 3.960 0.001 0.000 0.145 408 G C -1.467 173.432 174.900 -0.001 0.000 1.223 408 G CA -0.883 44.196 45.100 -0.034 0.000 1.058 408 G HN 0.126 nan 8.290 nan 0.000 0.469 409 F N 3.286 123.349 119.950 0.189 0.000 2.666 409 F HA 0.339 4.867 4.527 0.001 0.000 0.362 409 F C 0.151 176.133 175.800 0.303 0.000 1.190 409 F CA -0.253 57.902 58.000 0.258 0.000 1.328 409 F CB -0.267 38.820 39.000 0.144 0.000 1.682 409 F HN 0.145 nan 8.300 nan 0.000 0.623 410 D N 3.077 123.715 120.400 0.397 0.000 2.389 410 D HA 0.110 4.751 4.640 0.001 0.000 0.247 410 D C -2.220 174.163 176.300 0.137 0.000 1.128 410 D CA -1.245 52.868 54.000 0.188 0.000 0.884 410 D CB 0.255 41.075 40.800 0.033 0.000 1.194 410 D HN 0.112 nan 8.370 nan 0.000 0.441 411 P HA 0.033 nan 4.420 nan 0.000 0.268 411 P C -0.080 177.171 177.300 -0.082 0.000 1.205 411 P CA -0.288 62.830 63.100 0.029 0.000 0.771 411 P CB 1.227 32.948 31.700 0.036 0.000 0.858 412 K N 1.411 121.717 120.400 -0.157 0.000 2.276 412 K HA 0.117 4.438 4.320 0.001 0.000 0.198 412 K C 0.452 177.006 176.600 -0.077 0.000 1.052 412 K CA 0.614 56.758 56.287 -0.240 0.000 0.984 412 K CB 0.199 32.294 32.500 -0.676 0.000 0.836 412 K HN 0.465 nan 8.250 nan 0.000 0.490 413 V N -2.085 117.822 119.914 -0.012 0.000 3.001 413 V HA 0.550 4.671 4.120 0.001 0.000 0.314 413 V C -0.135 175.982 176.094 0.038 0.000 1.099 413 V CA -1.238 61.095 62.300 0.054 0.000 0.989 413 V CB 1.660 33.559 31.823 0.127 0.000 1.040 413 V HN -0.041 nan 8.190 nan 0.000 0.434 414 S N 0.924 116.646 115.700 0.036 0.000 2.601 414 S HA 0.480 4.950 4.470 0.001 0.000 0.271 414 S C 0.868 175.490 174.600 0.037 0.000 1.305 414 S CA -0.616 57.602 58.200 0.030 0.000 1.022 414 S CB 0.708 63.921 63.200 0.022 0.000 0.940 414 S HN 0.731 nan 8.310 nan 0.000 0.525 415 L N 2.179 123.422 121.223 0.034 0.000 2.275 415 L HA -0.005 4.336 4.340 0.001 0.000 0.215 415 L C 1.447 178.335 176.870 0.031 0.000 1.119 415 L CA 0.946 55.807 54.840 0.036 0.000 0.790 415 L CB -0.331 41.749 42.059 0.036 0.000 0.919 415 L HN 0.719 nan 8.230 nan 0.000 0.443 416 D N -1.393 119.022 120.400 0.026 0.000 2.360 416 D HA -0.058 4.583 4.640 0.001 0.000 0.210 416 D C 0.472 176.784 176.300 0.021 0.000 1.047 416 D CA 0.011 54.024 54.000 0.021 0.000 0.854 416 D CB -0.084 40.726 40.800 0.017 0.000 0.936 416 D HN 0.188 nan 8.370 nan 0.000 0.514 417 D N 2.800 123.214 120.400 0.024 0.000 2.346 417 D HA 0.005 4.646 4.640 0.001 0.000 0.260 417 D C -1.330 174.984 176.300 0.023 0.000 1.252 417 D CA -1.844 52.170 54.000 0.023 0.000 0.895 417 D CB 1.570 42.386 40.800 0.028 0.000 1.097 417 D HN -0.077 nan 8.370 nan 0.000 0.489 418 P HA -0.086 nan 4.420 nan 0.000 0.228 418 P C 0.670 177.979 177.300 0.014 0.000 1.151 418 P CA 0.787 63.896 63.100 0.016 0.000 0.770 418 P CB 0.395 32.102 31.700 0.011 0.000 0.786 419 E N -0.729 119.480 120.200 0.015 0.000 2.447 419 E HA 0.103 4.454 4.350 0.001 0.000 0.195 419 E C 1.937 178.548 176.600 0.018 0.000 1.028 419 E CA 0.287 56.694 56.400 0.012 0.000 0.876 419 E CB -0.068 29.637 29.700 0.009 0.000 0.885 419 E HN 0.128 nan 8.360 nan 0.000 0.500 420 A N 1.994 124.832 122.820 0.031 0.000 1.859 420 A HA -0.233 4.087 4.320 0.001 0.000 0.218 420 A C 2.218 179.825 177.584 0.039 0.000 1.209 420 A CA 1.358 53.424 52.037 0.048 0.000 0.639 420 A CB -1.011 18.026 19.000 0.061 0.000 0.835 420 A HN 0.230 nan 8.150 nan 0.000 0.450 421 L N -0.907 120.333 121.223 0.029 0.000 2.151 421 L HA -0.272 4.069 4.340 0.001 0.000 0.215 421 L C 2.789 179.658 176.870 -0.001 0.000 1.084 421 L CA 1.952 56.803 54.840 0.018 0.000 0.764 421 L CB -0.908 41.161 42.059 0.016 0.000 0.891 421 L HN 0.463 nan 8.230 nan 0.000 0.435 422 T N -0.571 113.979 114.554 -0.006 0.000 2.732 422 T HA -0.138 4.212 4.350 0.001 0.000 0.261 422 T C 1.856 176.526 174.700 -0.050 0.000 1.040 422 T CA 1.218 63.303 62.100 -0.026 0.000 1.145 422 T CB 0.019 68.875 68.868 -0.021 0.000 0.866 422 T HN 0.360 nan 8.240 nan 0.000 0.427 423 K N 0.823 121.198 120.400 -0.042 0.000 2.032 423 K HA -0.026 4.295 4.320 0.001 0.000 0.209 423 K C 2.231 178.735 176.600 -0.161 0.000 1.048 423 K CA 1.255 57.490 56.287 -0.087 0.000 0.927 423 K CB -0.476 32.013 32.500 -0.018 0.000 0.712 423 K HN 0.318 nan 8.250 nan 0.000 0.441 424 I N 1.098 121.636 120.570 -0.054 0.000 2.127 424 I HA -0.308 3.862 4.170 0.001 0.000 0.241 424 I C 2.871 178.928 176.117 -0.100 0.000 1.075 424 I CA 1.273 62.552 61.300 -0.034 0.000 1.334 424 I CB -0.306 37.734 38.000 0.067 0.000 1.040 424 I HN 0.192 nan 8.210 nan 0.000 0.405 425 R N 0.704 121.162 120.500 -0.070 0.000 2.113 425 R HA -0.251 4.090 4.340 0.001 0.000 0.244 425 R C 2.595 178.831 176.300 -0.106 0.000 1.142 425 R CA 1.709 57.765 56.100 -0.073 0.000 0.953 425 R CB -0.307 29.961 30.300 -0.053 0.000 0.860 425 R HN 0.231 nan 8.270 nan 0.000 0.438 426 R N 0.725 121.146 120.500 -0.133 0.000 2.083 426 R HA -0.145 4.196 4.340 0.001 0.000 0.237 426 R C 1.639 177.823 176.300 -0.194 0.000 1.137 426 R CA 1.703 57.711 56.100 -0.153 0.000 0.951 426 R CB -0.283 29.921 30.300 -0.161 0.000 0.851 426 R HN 0.276 nan 8.270 nan 0.000 0.434 427 E N 0.472 120.491 120.200 -0.302 0.000 2.265 427 E HA -0.149 4.202 4.350 0.001 0.000 0.196 427 E C 1.927 178.427 176.600 -0.167 0.000 0.996 427 E CA 0.711 56.892 56.400 -0.365 0.000 0.832 427 E CB -0.014 29.121 29.700 -0.941 0.000 0.756 427 E HN 0.215 nan 8.360 nan 0.000 0.491 428 L N 0.637 121.788 121.223 -0.120 0.000 2.168 428 L HA 0.007 4.347 4.340 0.001 0.000 0.203 428 L C 2.312 179.144 176.870 -0.064 0.000 1.078 428 L CA 1.284 56.089 54.840 -0.059 0.000 0.780 428 L CB -0.468 41.558 42.059 -0.055 0.000 0.939 428 L HN -0.059 nan 8.230 nan 0.000 0.451 429 K N -0.583 119.769 120.400 -0.080 0.000 2.057 429 K HA -0.087 4.234 4.320 0.001 0.000 0.206 429 K C -0.296 176.260 176.600 -0.073 0.000 1.050 429 K CA 1.156 57.398 56.287 -0.075 0.000 0.935 429 K CB 0.199 32.651 32.500 -0.080 0.000 0.715 429 K HN 0.230 nan 8.250 nan 0.000 0.439 430 D N 0.567 120.915 120.400 -0.088 0.000 2.404 430 D HA 0.180 4.820 4.640 0.001 0.000 0.267 430 D C -1.150 175.103 176.300 -0.079 0.000 1.194 430 D CA -0.110 53.840 54.000 -0.082 0.000 0.910 430 D CB 1.378 42.112 40.800 -0.111 0.000 1.090 430 D HN 0.198 nan 8.370 nan 0.000 0.511 431 A N 1.466 124.261 122.820 -0.042 0.000 2.531 431 A HA 0.525 4.846 4.320 0.001 0.000 0.236 431 A C 0.860 178.410 177.584 -0.057 0.000 1.062 431 A CA 0.336 52.358 52.037 -0.025 0.000 0.760 431 A CB 0.549 19.564 19.000 0.024 0.000 0.995 431 A HN 0.510 nan 8.150 nan 0.000 0.501 432 G N -0.894 107.866 108.800 -0.068 0.000 3.140 432 G HA2 0.569 4.530 3.960 0.001 0.000 0.271 432 G HA3 0.569 4.530 3.960 0.001 0.000 0.271 432 G C 0.792 175.621 174.900 -0.118 0.000 1.370 432 G CA 0.112 45.124 45.100 -0.147 0.000 1.014 432 G HN 1.338 nan 8.290 nan 0.000 0.541 433 A N -0.945 121.751 122.820 -0.207 0.000 2.172 433 A HA 0.100 4.421 4.320 0.001 0.000 0.216 433 A C 1.460 179.192 177.584 0.247 0.000 1.154 433 A CA 1.831 53.743 52.037 -0.208 0.000 0.701 433 A CB -0.137 18.803 19.000 -0.101 0.000 0.789 433 A HN 0.383 nan 8.150 nan 0.000 0.465 434 D N -1.327 119.253 120.400 0.301 0.000 2.360 434 D HA 0.061 4.701 4.640 0.001 0.000 0.210 434 D C 1.753 178.424 176.300 0.618 0.000 1.047 434 D CA 0.047 54.402 54.000 0.592 0.000 0.854 434 D CB -0.151 40.968 40.800 0.532 0.000 0.936 434 D HN 0.449 nan 8.370 nan 0.000 0.514 435 R N 0.621 121.343 120.500 0.370 0.000 2.134 435 R HA -0.214 4.126 4.340 0.001 0.000 0.248 435 R C 2.003 178.450 176.300 0.245 0.000 1.143 435 R CA 1.211 57.495 56.100 0.307 0.000 0.957 435 R CB -0.348 30.056 30.300 0.173 0.000 0.867 435 R HN 0.104 nan 8.270 nan 0.000 0.441 436 I N 0.164 120.756 120.570 0.036 0.000 2.264 436 I HA -0.275 3.896 4.170 0.001 0.000 0.248 436 I C 1.567 177.666 176.117 -0.030 0.000 1.111 436 I CA 1.422 62.657 61.300 -0.107 0.000 1.382 436 I CB -0.294 37.388 38.000 -0.531 0.000 1.060 436 I HN 0.319 nan 8.210 nan 0.000 0.418 437 W N -0.771 120.621 121.300 0.154 0.000 2.436 437 W HA -0.164 4.497 4.660 0.001 0.000 0.284 437 W C 2.402 178.902 176.519 -0.031 0.000 1.225 437 W CA 0.773 58.164 57.345 0.078 0.000 1.271 437 W CB -1.179 28.215 29.460 -0.110 0.000 1.114 437 W HN 0.211 nan 8.180 nan 0.000 0.559 438 Y N 0.147 120.621 120.300 0.290 0.000 2.509 438 Y HA -0.085 4.466 4.550 0.001 0.000 0.293 438 Y C 2.346 178.264 175.900 0.031 0.000 1.133 438 Y CA 0.806 58.990 58.100 0.141 0.000 1.283 438 Y CB -0.581 37.933 38.460 0.091 0.000 1.001 438 Y HN -0.189 nan 8.280 nan 0.000 0.555 439 I N -0.798 119.860 120.570 0.145 0.000 2.315 439 I HA -0.288 3.883 4.170 0.001 0.000 0.248 439 I C 2.500 178.475 176.117 -0.236 0.000 1.117 439 I CA 1.103 62.363 61.300 -0.067 0.000 1.404 439 I CB -0.338 37.685 38.000 0.038 0.000 1.071 439 I HN 0.184 nan 8.210 nan 0.000 0.419 440 A N 0.145 122.949 122.820 -0.028 0.000 1.897 440 A HA -0.202 4.119 4.320 0.001 0.000 0.215 440 A C 1.947 179.555 177.584 0.038 0.000 1.181 440 A CA 1.718 53.753 52.037 -0.004 0.000 0.620 440 A CB -0.491 18.521 19.000 0.020 0.000 0.821 440 A HN 0.294 nan 8.150 nan 0.000 0.443 441 D N 0.142 120.578 120.400 0.060 0.000 2.218 441 D HA -0.031 4.610 4.640 0.001 0.000 0.204 441 D C 2.134 178.454 176.300 0.033 0.000 0.976 441 D CA 1.253 55.294 54.000 0.068 0.000 0.853 441 D CB -0.252 40.597 40.800 0.081 0.000 0.939 441 D HN 0.427 nan 8.370 nan 0.000 0.481 442 A N 0.177 122.957 122.820 -0.066 0.000 1.898 442 A HA -0.148 4.173 4.320 0.001 0.000 0.216 442 A C 1.886 179.411 177.584 -0.098 0.000 1.181 442 A CA 0.892 52.850 52.037 -0.133 0.000 0.620 442 A CB -0.759 18.050 19.000 -0.318 0.000 0.819 442 A HN 0.110 nan 8.150 nan 0.000 0.442 443 F N 0.008 119.985 119.950 0.046 0.000 2.113 443 F HA -0.059 4.468 4.527 0.001 0.000 0.297 443 F C 2.483 178.300 175.800 0.027 0.000 1.103 443 F CA 1.247 59.261 58.000 0.024 0.000 1.248 443 F CB -0.777 38.220 39.000 -0.005 0.000 0.999 443 F HN 0.103 nan 8.300 nan 0.000 0.475 444 R N 0.152 120.766 120.500 0.191 0.000 2.103 444 R HA -0.133 4.208 4.340 0.001 0.000 0.242 444 R C 2.124 178.484 176.300 0.100 0.000 1.142 444 R CA 1.385 57.562 56.100 0.127 0.000 0.960 444 R CB -0.815 29.547 30.300 0.103 0.000 0.858 444 R HN 0.266 nan 8.270 nan 0.000 0.439 445 A N -0.396 122.476 122.820 0.086 0.000 2.238 445 A HA 0.218 4.538 4.320 0.001 0.000 0.208 445 A C 1.392 179.019 177.584 0.071 0.000 1.177 445 A CA 0.897 52.975 52.037 0.068 0.000 0.804 445 A CB 0.025 19.058 19.000 0.055 0.000 0.823 445 A HN 0.510 nan 8.150 nan 0.000 0.482 446 G N -1.614 107.245 108.800 0.098 0.000 2.218 446 G HA2 -0.168 3.793 3.960 0.001 0.000 0.216 446 G HA3 -0.168 3.793 3.960 0.001 0.000 0.216 446 G C 0.157 175.123 174.900 0.110 0.000 0.994 446 G CA -0.006 45.149 45.100 0.092 0.000 0.637 446 G HN 0.349 nan 8.290 nan 0.000 0.505 447 L N 2.260 123.553 121.223 0.118 0.000 2.426 447 L HA 0.482 4.823 4.340 0.001 0.000 0.271 447 L C 1.497 178.518 176.870 0.251 0.000 1.169 447 L CA 0.384 55.298 54.840 0.123 0.000 0.836 447 L CB 1.176 43.255 42.059 0.034 0.000 1.112 447 L HN 0.496 nan 8.230 nan 0.000 0.465 448 S N 1.729 117.553 115.700 0.206 0.000 2.632 448 S HA 0.199 4.670 4.470 0.001 0.000 0.271 448 S C 1.022 175.835 174.600 0.354 0.000 1.260 448 S CA -0.934 57.406 58.200 0.233 0.000 1.010 448 S CB 1.747 65.026 63.200 0.133 0.000 0.965 448 S HN 0.353 nan 8.310 nan 0.000 0.534 449 V N 1.569 121.672 119.914 0.317 0.000 2.332 449 V HA -0.159 3.962 4.120 0.001 0.000 0.248 449 V C 2.135 178.390 176.094 0.268 0.000 1.055 449 V CA 2.349 64.846 62.300 0.329 0.000 1.038 449 V CB -0.929 30.943 31.823 0.080 0.000 0.651 449 V HN 0.875 nan 8.190 nan 0.000 0.450 450 D N 0.259 120.765 120.400 0.176 0.000 2.178 450 D HA -0.088 4.553 4.640 0.001 0.000 0.201 450 D C 2.148 178.584 176.300 0.227 0.000 0.980 450 D CA 1.414 55.522 54.000 0.181 0.000 0.842 450 D CB -0.573 40.289 40.800 0.103 0.000 0.948 450 D HN 0.469 nan 8.370 nan 0.000 0.472 451 G N 0.846 109.754 108.800 0.181 0.000 2.480 451 G HA2 -0.248 3.713 3.960 0.001 0.000 0.216 451 G HA3 -0.248 3.713 3.960 0.001 0.000 0.216 451 G C 1.867 176.838 174.900 0.119 0.000 1.200 451 G CA 1.082 46.262 45.100 0.134 0.000 0.782 451 G HN 0.242 nan 8.290 nan 0.000 0.554 452 V N 0.592 120.586 119.914 0.133 0.000 2.332 452 V HA -0.192 3.928 4.120 0.001 0.000 0.248 452 V C 2.361 178.513 176.094 0.097 0.000 1.055 452 V CA 2.074 64.412 62.300 0.063 0.000 1.038 452 V CB -0.712 31.107 31.823 -0.005 0.000 0.651 452 V HN 0.397 nan 8.190 nan 0.000 0.450 453 F N 1.767 121.761 119.950 0.073 0.000 2.095 453 F HA -0.232 4.296 4.527 0.001 0.000 0.298 453 F C 2.398 178.225 175.800 0.044 0.000 1.104 453 F CA 2.152 60.188 58.000 0.060 0.000 1.232 453 F CB -0.344 38.698 39.000 0.070 0.000 0.987 453 F HN 0.182 nan 8.300 nan 0.000 0.475 454 N N 0.756 119.515 118.700 0.098 0.000 2.223 454 N HA -0.156 4.585 4.740 0.001 0.000 0.185 454 N C 1.906 177.340 175.510 -0.126 0.000 1.016 454 N CA 1.599 54.641 53.050 -0.013 0.000 0.863 454 N CB -0.443 38.116 38.487 0.121 0.000 0.983 454 N HN 0.391 nan 8.380 nan 0.000 0.429 455 L N 0.092 121.260 121.223 -0.091 0.000 2.209 455 L HA -0.017 4.324 4.340 0.001 0.000 0.207 455 L C 2.132 178.922 176.870 -0.133 0.000 1.094 455 L CA 1.205 55.990 54.840 -0.091 0.000 0.790 455 L CB -0.283 41.740 42.059 -0.059 0.000 0.932 455 L HN 0.265 nan 8.230 nan 0.000 0.447 456 T N -5.830 108.612 114.554 -0.188 0.000 2.990 456 T HA 0.124 4.475 4.350 0.001 0.000 0.249 456 T C 0.871 175.411 174.700 -0.267 0.000 1.039 456 T CA 0.349 62.344 62.100 -0.175 0.000 1.036 456 T CB -0.061 68.737 68.868 -0.117 0.000 0.994 456 T HN 0.272 nan 8.240 nan 0.000 0.489 457 N N 0.381 118.749 118.700 -0.554 0.000 2.753 457 N HA -0.122 4.619 4.740 0.001 0.000 0.251 457 N C -0.822 174.508 175.510 -0.299 0.000 1.097 457 N CA 0.518 53.183 53.050 -0.642 0.000 0.786 457 N CB -1.628 36.696 38.487 -0.272 0.000 1.137 457 N HN 0.562 nan 8.380 nan 0.000 0.566 458 I N 1.023 121.465 120.570 -0.212 0.000 2.416 458 I HA 0.020 4.190 4.170 0.001 0.000 0.288 458 I C 0.853 177.094 176.117 0.206 0.000 1.051 458 I CA -0.200 61.015 61.300 -0.141 0.000 1.375 458 I CB 0.460 38.221 38.000 -0.398 0.000 1.407 458 I HN 0.130 nan 8.210 nan 0.000 0.516 459 D N 6.000 126.602 120.400 0.336 0.000 2.571 459 D HA -0.077 4.564 4.640 0.001 0.000 0.231 459 D C 1.189 177.732 176.300 0.404 0.000 1.133 459 D CA 0.441 54.714 54.000 0.455 0.000 0.862 459 D CB 0.812 41.867 40.800 0.425 0.000 1.179 459 D HN 0.478 nan 8.370 nan 0.000 0.474 460 R N 2.758 123.406 120.500 0.248 0.000 2.159 460 R HA -0.188 4.153 4.340 0.001 0.000 0.237 460 R C 1.927 178.302 176.300 0.125 0.000 1.131 460 R CA 1.191 57.385 56.100 0.157 0.000 0.982 460 R CB -0.141 30.160 30.300 0.001 0.000 0.868 460 R HN 0.648 nan 8.270 nan 0.000 0.453 461 W N 0.688 121.942 121.300 -0.076 0.000 2.321 461 W HA -0.222 4.438 4.660 0.001 0.000 0.306 461 W C 1.233 177.624 176.519 -0.212 0.000 1.217 461 W CA 1.574 58.793 57.345 -0.210 0.000 1.257 461 W CB -0.227 29.004 29.460 -0.381 0.000 1.145 461 W HN -0.027 nan 8.180 nan 0.000 0.509 462 F N -0.330 119.761 119.950 0.235 0.000 2.234 462 F HA -0.063 4.464 4.527 0.001 0.000 0.296 462 F C 2.226 178.079 175.800 0.089 0.000 1.089 462 F CA 1.229 59.325 58.000 0.160 0.000 1.343 462 F CB -1.135 38.012 39.000 0.246 0.000 1.040 462 F HN -0.223 nan 8.300 nan 0.000 0.498 463 L N 0.081 121.482 121.223 0.297 0.000 2.017 463 L HA -0.169 4.171 4.340 0.001 0.000 0.208 463 L C 2.623 179.526 176.870 0.056 0.000 1.073 463 L CA 1.287 56.295 54.840 0.281 0.000 0.745 463 L CB -1.125 41.146 42.059 0.353 0.000 0.894 463 L HN 0.145 nan 8.230 nan 0.000 0.432 464 V N -2.393 117.480 119.914 -0.068 0.000 2.380 464 V HA -0.313 3.808 4.120 0.001 0.000 0.251 464 V C 2.195 178.149 176.094 -0.234 0.000 1.063 464 V CA 1.693 63.867 62.300 -0.209 0.000 1.055 464 V CB -0.952 30.748 31.823 -0.205 0.000 0.657 464 V HN 0.526 nan 8.190 nan 0.000 0.455 465 Q N 0.065 119.741 119.800 -0.206 0.000 2.119 465 Q HA 0.004 4.345 4.340 0.001 0.000 0.201 465 Q C 2.390 178.316 176.000 -0.123 0.000 0.972 465 Q CA 1.978 57.670 55.803 -0.185 0.000 0.847 465 Q CB -0.232 28.367 28.738 -0.232 0.000 0.903 465 Q HN 0.672 nan 8.270 nan 0.000 0.433 466 I N 0.774 121.307 120.570 -0.062 0.000 2.252 466 I HA -0.250 3.920 4.170 0.001 0.000 0.245 466 I C 2.486 178.490 176.117 -0.188 0.000 1.102 466 I CA 1.135 62.346 61.300 -0.149 0.000 1.385 466 I CB -0.389 37.634 38.000 0.040 0.000 1.064 466 I HN 0.315 nan 8.210 nan 0.000 0.414 467 E N 1.360 121.345 120.200 -0.359 0.000 2.058 467 E HA -0.318 4.032 4.350 0.001 0.000 0.194 467 E C 2.124 178.543 176.600 -0.302 0.000 0.997 467 E CA 1.727 57.717 56.400 -0.683 0.000 0.801 467 E CB -0.065 28.909 29.700 -1.211 0.000 0.746 467 E HN 0.438 nan 8.360 nan 0.000 0.450 468 E N 0.242 120.306 120.200 -0.226 0.000 2.118 468 E HA -0.212 4.138 4.350 0.001 0.000 0.195 468 E C 2.287 178.886 176.600 -0.001 0.000 0.992 468 E CA 1.075 57.412 56.400 -0.106 0.000 0.804 468 E CB -0.091 29.555 29.700 -0.091 0.000 0.741 468 E HN 0.346 nan 8.360 nan 0.000 0.458 469 L N 0.176 121.396 121.223 -0.006 0.000 2.083 469 L HA -0.182 4.159 4.340 0.001 0.000 0.209 469 L C 2.544 179.542 176.870 0.213 0.000 1.083 469 L CA 0.666 55.599 54.840 0.156 0.000 0.752 469 L CB -0.395 41.662 42.059 -0.003 0.000 0.899 469 L HN 0.102 nan 8.230 nan 0.000 0.433 470 V N -0.127 119.818 119.914 0.053 0.000 2.343 470 V HA -0.243 3.878 4.120 0.001 0.000 0.247 470 V C 2.711 178.853 176.094 0.080 0.000 1.051 470 V CA 1.619 63.968 62.300 0.082 0.000 1.036 470 V CB -0.581 31.292 31.823 0.084 0.000 0.654 470 V HN 0.439 nan 8.190 nan 0.000 0.451 471 R N -0.371 120.153 120.500 0.041 0.000 2.115 471 R HA -0.038 4.303 4.340 0.001 0.000 0.230 471 R C 2.225 178.560 176.300 0.059 0.000 1.111 471 R CA 1.133 57.253 56.100 0.033 0.000 0.976 471 R CB -0.708 29.591 30.300 -0.002 0.000 0.870 471 R HN 0.428 nan 8.270 nan 0.000 0.445 472 L N 1.030 122.311 121.223 0.096 0.000 2.046 472 L HA -0.161 4.180 4.340 0.001 0.000 0.208 472 L C 2.371 179.243 176.870 0.004 0.000 1.077 472 L CA 1.392 56.291 54.840 0.099 0.000 0.747 472 L CB -0.356 41.800 42.059 0.160 0.000 0.896 472 L HN 0.218 nan 8.230 nan 0.000 0.432 473 E N -0.111 120.099 120.200 0.016 0.000 2.110 473 E HA -0.245 4.106 4.350 0.001 0.000 0.193 473 E C 2.014 178.620 176.600 0.011 0.000 0.988 473 E CA 1.194 57.579 56.400 -0.026 0.000 0.804 473 E CB -0.063 29.704 29.700 0.112 0.000 0.745 473 E HN 0.571 nan 8.360 nan 0.000 0.458 474 E N 0.979 121.205 120.200 0.042 0.000 2.051 474 E HA -0.217 4.133 4.350 0.001 0.000 0.192 474 E C 2.097 178.718 176.600 0.036 0.000 0.991 474 E CA 1.012 57.435 56.400 0.038 0.000 0.799 474 E CB -0.073 29.650 29.700 0.038 0.000 0.748 474 E HN 0.087 nan 8.360 nan 0.000 0.449 475 K N 1.008 121.438 120.400 0.050 0.000 2.026 475 K HA -0.161 4.160 4.320 0.001 0.000 0.208 475 K C 2.140 178.803 176.600 0.106 0.000 1.048 475 K CA 1.170 57.492 56.287 0.058 0.000 0.929 475 K CB -0.077 32.469 32.500 0.076 0.000 0.713 475 K HN -0.060 nan 8.250 nan 0.000 0.439 476 V N 1.484 121.473 119.914 0.124 0.000 2.252 476 V HA -0.337 3.783 4.120 0.001 0.000 0.249 476 V C 2.469 178.591 176.094 0.047 0.000 1.056 476 V CA 2.152 64.504 62.300 0.087 0.000 1.022 476 V CB -0.932 30.832 31.823 -0.098 0.000 0.641 476 V HN 0.575 nan 8.190 nan 0.000 0.445 477 A N -0.394 122.439 122.820 0.021 0.000 1.884 477 A HA -0.365 3.956 4.320 0.001 0.000 0.219 477 A C 2.294 179.892 177.584 0.024 0.000 1.197 477 A CA 2.541 54.590 52.037 0.019 0.000 0.637 477 A CB -0.712 18.301 19.000 0.022 0.000 0.827 477 A HN 0.704 nan 8.150 nan 0.000 0.450 478 E N -0.127 120.088 120.200 0.026 0.000 2.058 478 E HA -0.168 4.182 4.350 0.001 0.000 0.194 478 E C 1.901 178.511 176.600 0.017 0.000 0.997 478 E CA 2.254 58.664 56.400 0.016 0.000 0.801 478 E CB -0.258 29.445 29.700 0.005 0.000 0.746 478 E HN 0.589 nan 8.360 nan 0.000 0.450 479 V N -2.036 117.897 119.914 0.032 0.000 2.871 479 V HA 0.239 4.360 4.120 0.001 0.000 0.256 479 V C 1.184 177.304 176.094 0.043 0.000 1.082 479 V CA 0.709 63.029 62.300 0.034 0.000 1.105 479 V CB -0.964 30.883 31.823 0.041 0.000 0.713 479 V HN 0.466 nan 8.190 nan 0.000 0.473 480 G N 0.202 109.028 108.800 0.043 0.000 2.804 480 G HA2 -0.309 3.651 3.960 0.001 0.000 0.230 480 G HA3 -0.309 3.651 3.960 0.001 0.000 0.230 480 G C 0.352 175.277 174.900 0.041 0.000 1.386 480 G CA 0.144 45.263 45.100 0.031 0.000 0.875 480 G HN 0.727 nan 8.290 nan 0.000 0.557 481 I N -0.191 120.394 120.570 0.025 0.000 2.454 481 I HA -0.125 4.046 4.170 0.001 0.000 0.254 481 I C 2.670 178.816 176.117 0.048 0.000 1.156 481 I CA 2.457 63.772 61.300 0.025 0.000 1.433 481 I CB -0.108 37.895 38.000 0.005 0.000 1.082 481 I HN 0.668 nan 8.210 nan 0.000 0.432 482 T N 0.093 114.674 114.554 0.045 0.000 2.821 482 T HA -0.070 4.280 4.350 0.001 0.000 0.267 482 T C 1.554 176.296 174.700 0.071 0.000 1.046 482 T CA 1.348 63.478 62.100 0.050 0.000 1.139 482 T CB -0.409 68.478 68.868 0.033 0.000 0.871 482 T HN 0.605 nan 8.240 nan 0.000 0.454 483 G N 0.732 109.579 108.800 0.079 0.000 2.744 483 G HA2 0.085 4.045 3.960 0.001 0.000 0.211 483 G HA3 0.085 4.045 3.960 0.001 0.000 0.211 483 G C 0.648 175.670 174.900 0.203 0.000 1.143 483 G CA -0.096 45.063 45.100 0.099 0.000 0.788 483 G HN 0.449 nan 8.290 nan 0.000 0.534 484 L N 2.618 123.956 121.223 0.192 0.000 2.416 484 L HA 0.142 4.482 4.340 0.001 0.000 0.243 484 L C 0.409 177.433 176.870 0.256 0.000 1.373 484 L CA -0.694 54.277 54.840 0.219 0.000 1.227 484 L CB -1.056 41.060 42.059 0.096 0.000 1.428 484 L HN 0.310 nan 8.230 nan 0.000 0.425 485 N N 0.010 118.837 118.700 0.212 0.000 2.381 485 N HA 0.239 4.979 4.740 0.001 0.000 0.254 485 N C 1.154 176.610 175.510 -0.091 0.000 1.264 485 N CA 0.094 53.186 53.050 0.070 0.000 0.942 485 N CB 0.859 39.352 38.487 0.010 0.000 1.190 485 N HN 0.170 nan 8.380 nan 0.000 0.495 486 A N 0.023 122.487 122.820 -0.594 0.000 1.940 486 A HA -0.231 4.090 4.320 0.001 0.000 0.219 486 A C 1.476 178.941 177.584 -0.198 0.000 1.176 486 A CA 1.771 53.394 52.037 -0.690 0.000 0.631 486 A CB -0.822 17.594 19.000 -0.973 0.000 0.814 486 A HN 0.806 nan 8.150 nan 0.000 0.446 487 D N -1.026 119.310 120.400 -0.106 0.000 2.084 487 D HA -0.120 4.521 4.640 0.001 0.000 0.196 487 D C 1.675 178.039 176.300 0.107 0.000 0.985 487 D CA 1.132 55.129 54.000 -0.005 0.000 0.826 487 D CB -0.565 40.232 40.800 -0.006 0.000 0.978 487 D HN 0.387 nan 8.370 nan 0.000 0.456 488 F N 1.622 121.530 119.950 -0.070 0.000 2.095 488 F HA -0.143 4.384 4.527 0.001 0.000 0.298 488 F C 2.177 177.947 175.800 -0.049 0.000 1.104 488 F CA 0.615 58.583 58.000 -0.053 0.000 1.232 488 F CB -0.799 38.170 39.000 -0.050 0.000 0.987 488 F HN -0.108 nan 8.300 nan 0.000 0.475 489 L N 0.938 122.129 121.223 -0.053 0.000 2.042 489 L HA -0.174 4.167 4.340 0.001 0.000 0.210 489 L C 2.666 179.440 176.870 -0.161 0.000 1.076 489 L CA 2.143 56.874 54.840 -0.181 0.000 0.749 489 L CB -0.881 41.194 42.059 0.026 0.000 0.893 489 L HN 0.220 nan 8.230 nan 0.000 0.432 490 R N -0.910 119.549 120.500 -0.069 0.000 2.096 490 R HA -0.213 4.127 4.340 0.001 0.000 0.235 490 R C 2.365 178.620 176.300 -0.075 0.000 1.127 490 R CA 1.736 57.794 56.100 -0.070 0.000 0.968 490 R CB -0.472 29.833 30.300 0.008 0.000 0.861 490 R HN 0.626 nan 8.270 nan 0.000 0.440 491 Q N 0.574 120.365 119.800 -0.014 0.000 2.124 491 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 491 Q C 2.062 178.057 176.000 -0.008 0.000 0.977 491 Q CA 1.682 57.507 55.803 0.035 0.000 0.850 491 Q CB -0.032 28.795 28.738 0.148 0.000 0.901 491 Q HN 0.491 nan 8.270 nan 0.000 0.429 492 L N 0.470 121.606 121.223 -0.144 0.000 2.005 492 L HA -0.194 4.147 4.340 0.001 0.000 0.207 492 L C 2.591 179.473 176.870 0.021 0.000 1.072 492 L CA 0.972 55.759 54.840 -0.089 0.000 0.744 492 L CB -0.486 41.306 42.059 -0.445 0.000 0.895 492 L HN 0.038 nan 8.230 nan 0.000 0.433 493 K N 0.527 120.787 120.400 -0.234 0.000 2.074 493 K HA -0.183 4.137 4.320 0.001 0.000 0.209 493 K C 2.152 178.533 176.600 -0.366 0.000 1.048 493 K CA 1.471 57.453 56.287 -0.508 0.000 0.926 493 K CB -0.489 31.281 32.500 -1.217 0.000 0.713 493 K HN 0.274 nan 8.250 nan 0.000 0.444 494 R N 0.704 121.092 120.500 -0.187 0.000 2.193 494 R HA -0.027 4.313 4.340 0.001 0.000 0.229 494 R C 1.518 177.845 176.300 0.046 0.000 1.110 494 R CA 0.778 56.888 56.100 0.017 0.000 0.988 494 R CB 0.098 30.434 30.300 0.061 0.000 0.871 494 R HN -0.005 nan 8.270 nan 0.000 0.458 495 K N -0.505 119.922 120.400 0.044 0.000 2.458 495 K HA 0.100 4.420 4.320 0.001 0.000 0.194 495 K C 0.784 177.318 176.600 -0.109 0.000 1.024 495 K CA 0.677 56.975 56.287 0.018 0.000 1.108 495 K CB 0.897 33.474 32.500 0.130 0.000 0.846 495 K HN 0.384 nan 8.250 nan 0.000 0.518 496 G N 1.449 110.216 108.800 -0.055 0.000 2.148 496 G HA2 -0.272 3.689 3.960 0.001 0.000 0.254 496 G HA3 -0.272 3.689 3.960 0.001 0.000 0.254 496 G C 0.006 174.826 174.900 -0.133 0.000 0.981 496 G CA -0.306 44.750 45.100 -0.073 0.000 0.670 496 G HN 0.217 nan 8.290 nan 0.000 0.528 497 F N 1.560 121.482 119.950 -0.047 0.000 2.572 497 F HA 0.488 5.015 4.527 0.001 0.000 0.370 497 F C 1.173 176.943 175.800 -0.050 0.000 1.103 497 F CA 0.539 58.514 58.000 -0.042 0.000 1.286 497 F CB 0.743 39.691 39.000 -0.088 0.000 1.105 497 F HN 0.367 nan 8.300 nan 0.000 0.583 498 A N 2.978 125.897 122.820 0.165 0.000 2.304 498 A HA 0.243 4.564 4.320 0.001 0.000 0.271 498 A C 1.044 178.677 177.584 0.081 0.000 1.091 498 A CA -0.672 51.423 52.037 0.096 0.000 0.812 498 A CB 0.319 19.365 19.000 0.077 0.000 1.056 498 A HN 0.759 nan 8.150 nan 0.000 0.489 499 D N 1.274 121.701 120.400 0.044 0.000 2.123 499 D HA -0.131 4.509 4.640 0.001 0.000 0.196 499 D C 2.181 178.492 176.300 0.019 0.000 0.992 499 D CA 2.009 56.017 54.000 0.014 0.000 0.833 499 D CB -0.381 40.424 40.800 0.008 0.000 0.954 499 D HN 0.630 nan 8.370 nan 0.000 0.455 500 A N 0.811 123.650 122.820 0.032 0.000 1.908 500 A HA -0.214 4.106 4.320 0.001 0.000 0.218 500 A C 2.208 179.818 177.584 0.044 0.000 1.181 500 A CA 2.008 54.063 52.037 0.030 0.000 0.627 500 A CB -0.452 18.566 19.000 0.029 0.000 0.818 500 A HN 0.116 nan 8.150 nan 0.000 0.445 501 R N -0.052 120.496 120.500 0.079 0.000 2.075 501 R HA 0.046 4.387 4.340 0.001 0.000 0.232 501 R C 1.888 178.233 176.300 0.074 0.000 1.126 501 R CA 1.453 57.621 56.100 0.114 0.000 0.963 501 R CB -0.710 29.717 30.300 0.211 0.000 0.858 501 R HN 0.505 nan 8.270 nan 0.000 0.435 502 L N -0.007 121.241 121.223 0.041 0.000 2.017 502 L HA -0.091 4.249 4.340 0.001 0.000 0.208 502 L C 2.557 179.408 176.870 -0.032 0.000 1.073 502 L CA 1.331 56.143 54.840 -0.047 0.000 0.745 502 L CB -0.817 41.182 42.059 -0.100 0.000 0.894 502 L HN 0.336 nan 8.230 nan 0.000 0.432 503 A N 0.748 123.560 122.820 -0.013 0.000 1.869 503 A HA -0.294 4.027 4.320 0.001 0.000 0.218 503 A C 2.318 179.899 177.584 -0.004 0.000 1.203 503 A CA 2.318 54.348 52.037 -0.012 0.000 0.638 503 A CB -0.557 18.439 19.000 -0.006 0.000 0.831 503 A HN 0.388 nan 8.150 nan 0.000 0.450 504 K N -0.478 119.927 120.400 0.008 0.000 2.044 504 K HA -0.124 4.197 4.320 0.001 0.000 0.210 504 K C 1.898 178.505 176.600 0.012 0.000 1.049 504 K CA 1.606 57.901 56.287 0.014 0.000 0.927 504 K CB -0.494 32.023 32.500 0.027 0.000 0.713 504 K HN 0.498 nan 8.250 nan 0.000 0.443 505 L N 0.365 121.592 121.223 0.008 0.000 2.141 505 L HA -0.127 4.213 4.340 0.001 0.000 0.209 505 L C 2.402 179.269 176.870 -0.004 0.000 1.094 505 L CA 0.912 55.754 54.840 0.002 0.000 0.763 505 L CB -0.367 41.679 42.059 -0.020 0.000 0.908 505 L HN 0.219 nan 8.230 nan 0.000 0.437 506 A N -0.725 122.088 122.820 -0.012 0.000 2.178 506 A HA 0.303 4.623 4.320 0.001 0.000 0.211 506 A C 1.641 179.224 177.584 -0.002 0.000 1.157 506 A CA 0.683 52.715 52.037 -0.007 0.000 0.780 506 A CB -0.213 18.778 19.000 -0.016 0.000 0.828 506 A HN 0.477 nan 8.150 nan 0.000 0.476 507 G N -0.850 107.949 108.800 -0.001 0.000 2.171 507 G HA2 -0.052 3.909 3.960 0.001 0.000 0.238 507 G HA3 -0.052 3.909 3.960 0.001 0.000 0.238 507 G C 0.209 175.107 174.900 -0.003 0.000 1.039 507 G CA 0.655 45.755 45.100 -0.000 0.000 0.759 507 G HN 1.754 nan 8.290 nan 0.000 0.501 508 V N -4.179 115.731 119.914 -0.006 0.000 3.155 508 V HA 0.931 5.052 4.120 0.001 0.000 0.313 508 V C 0.557 176.645 176.094 -0.009 0.000 1.162 508 V CA -1.938 60.357 62.300 -0.009 0.000 1.048 508 V CB 1.323 33.138 31.823 -0.014 0.000 1.092 508 V HN 0.339 nan 8.190 nan 0.000 0.447 509 R N 0.291 120.785 120.500 -0.011 0.000 2.615 509 R HA 0.284 4.625 4.340 0.001 0.000 0.270 509 R C 1.388 177.680 176.300 -0.012 0.000 1.081 509 R CA 0.264 56.358 56.100 -0.010 0.000 1.154 509 R CB 0.455 30.749 30.300 -0.010 0.000 1.063 509 R HN 0.960 nan 8.270 nan 0.000 0.519 510 E N 1.717 121.912 120.200 -0.008 0.000 2.118 510 E HA -0.259 4.092 4.350 0.001 0.000 0.195 510 E C 1.533 178.125 176.600 -0.013 0.000 0.992 510 E CA 1.543 57.938 56.400 -0.007 0.000 0.804 510 E CB 0.018 29.718 29.700 -0.000 0.000 0.741 510 E HN 0.716 nan 8.360 nan 0.000 0.458 511 A N 1.162 123.974 122.820 -0.013 0.000 2.024 511 A HA -0.195 4.126 4.320 0.001 0.000 0.220 511 A C 1.912 179.479 177.584 -0.027 0.000 1.164 511 A CA 1.399 53.427 52.037 -0.015 0.000 0.643 511 A CB -0.366 18.627 19.000 -0.012 0.000 0.806 511 A HN 0.223 nan 8.150 nan 0.000 0.451 512 E N 0.014 120.196 120.200 -0.030 0.000 2.077 512 E HA -0.136 4.214 4.350 0.001 0.000 0.193 512 E C 1.967 178.528 176.600 -0.064 0.000 0.989 512 E CA 0.846 57.221 56.400 -0.043 0.000 0.800 512 E CB -0.356 29.323 29.700 -0.034 0.000 0.746 512 E HN 0.565 nan 8.360 nan 0.000 0.452 513 I N 0.604 121.140 120.570 -0.056 0.000 2.286 513 I HA -0.173 3.997 4.170 0.001 0.000 0.245 513 I C 2.513 178.580 176.117 -0.084 0.000 1.104 513 I CA 0.874 62.131 61.300 -0.072 0.000 1.397 513 I CB -0.890 37.079 38.000 -0.052 0.000 1.072 513 I HN 0.089 nan 8.210 nan 0.000 0.417 514 R N 1.210 121.677 120.500 -0.055 0.000 2.096 514 R HA -0.172 4.169 4.340 0.001 0.000 0.235 514 R C 2.262 178.523 176.300 -0.066 0.000 1.127 514 R CA 1.364 57.437 56.100 -0.044 0.000 0.968 514 R CB 0.045 30.339 30.300 -0.011 0.000 0.861 514 R HN 0.273 nan 8.270 nan 0.000 0.440 515 K N 0.103 120.458 120.400 -0.074 0.000 2.026 515 K HA -0.160 4.161 4.320 0.001 0.000 0.208 515 K C 2.018 178.520 176.600 -0.163 0.000 1.048 515 K CA 1.172 57.408 56.287 -0.085 0.000 0.929 515 K CB -0.247 32.209 32.500 -0.074 0.000 0.713 515 K HN 0.084 nan 8.250 nan 0.000 0.439 516 L N 1.877 122.960 121.223 -0.233 0.000 2.042 516 L HA -0.205 4.136 4.340 0.001 0.000 0.210 516 L C 2.122 178.641 176.870 -0.585 0.000 1.076 516 L CA 1.682 56.244 54.840 -0.462 0.000 0.749 516 L CB -0.356 41.487 42.059 -0.359 0.000 0.893 516 L HN 0.088 nan 8.230 nan 0.000 0.432 517 R N -0.753 119.567 120.500 -0.299 0.000 2.096 517 R HA -0.153 4.188 4.340 0.001 0.000 0.235 517 R C 1.878 178.070 176.300 -0.181 0.000 1.127 517 R CA 1.410 57.391 56.100 -0.199 0.000 0.968 517 R CB -0.495 29.696 30.300 -0.183 0.000 0.861 517 R HN 0.411 nan 8.270 nan 0.000 0.440 518 D N 0.491 120.824 120.400 -0.111 0.000 2.144 518 D HA -0.158 4.483 4.640 0.001 0.000 0.199 518 D C 1.894 178.237 176.300 0.070 0.000 0.984 518 D CA 1.068 55.106 54.000 0.063 0.000 0.834 518 D CB -0.075 40.761 40.800 0.060 0.000 0.955 518 D HN 0.224 nan 8.370 nan 0.000 0.465 519 Q N -0.908 118.857 119.800 -0.058 0.000 2.020 519 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 519 Q C 1.406 177.476 176.000 0.116 0.000 0.982 519 Q CA 1.076 56.849 55.803 -0.050 0.000 0.838 519 Q CB -0.014 28.570 28.738 -0.255 0.000 0.899 519 Q HN 0.362 nan 8.270 nan 0.000 0.423 520 Y N 0.260 120.575 120.300 0.025 0.000 2.529 520 Y HA 0.018 4.568 4.550 0.001 0.000 0.290 520 Y C 0.230 176.164 175.900 0.055 0.000 1.177 520 Y CA 0.641 58.758 58.100 0.028 0.000 1.305 520 Y CB -0.362 38.099 38.460 0.002 0.000 1.047 520 Y HN 0.251 nan 8.280 nan 0.000 0.522 521 D N -0.225 120.319 120.400 0.240 0.000 2.699 521 D HA -0.197 4.444 4.640 0.001 0.000 0.239 521 D C -0.904 175.559 176.300 0.271 0.000 1.136 521 D CA 0.194 54.387 54.000 0.321 0.000 0.668 521 D CB -1.193 39.751 40.800 0.240 0.000 1.060 521 D HN 0.118 nan 8.370 nan 0.000 0.429 522 L N 2.757 123.964 121.223 -0.028 0.000 2.287 522 L HA 0.462 4.803 4.340 0.001 0.000 0.280 522 L C -0.896 175.794 176.870 -0.300 0.000 1.055 522 L CA -0.311 54.523 54.840 -0.010 0.000 0.863 522 L CB 0.511 42.626 42.059 0.093 0.000 1.245 522 L HN 0.200 nan 8.230 nan 0.000 0.432 523 H N 4.157 123.331 119.070 0.173 0.000 2.865 523 H HA 0.586 5.143 4.556 0.001 0.000 0.372 523 H C -2.585 172.515 175.328 -0.381 0.000 1.173 523 H CA -1.680 54.377 56.048 0.015 0.000 1.147 523 H CB 1.908 31.664 29.762 -0.009 0.000 1.805 523 H HN 0.354 nan 8.280 nan 0.000 0.553 524 P HA 0.113 nan 4.420 nan 0.000 0.276 524 P C -0.199 176.738 177.300 -0.605 0.000 1.261 524 P CA -0.451 62.016 63.100 -1.056 0.000 0.800 524 P CB 1.134 32.274 31.700 -0.933 0.000 1.066 525 V N -1.986 117.569 119.914 -0.598 0.000 3.096 525 V HA 0.568 4.689 4.120 0.001 0.000 0.319 525 V C -0.990 174.697 176.094 -0.679 0.000 1.103 525 V CA -0.924 61.127 62.300 -0.416 0.000 1.016 525 V CB 1.072 32.770 31.823 -0.208 0.000 1.090 525 V HN 0.331 nan 8.190 nan 0.000 0.449 526 Y N 1.041 121.257 120.300 -0.141 0.000 2.341 526 Y HA 0.696 5.246 4.550 0.001 0.000 0.338 526 Y C 0.376 176.090 175.900 -0.311 0.000 0.965 526 Y CA -0.761 57.218 58.100 -0.203 0.000 1.108 526 Y CB 1.820 40.258 38.460 -0.037 0.000 1.180 526 Y HN 0.530 nan 8.280 nan 0.000 0.458 527 K N 3.061 123.153 120.400 -0.514 0.000 2.168 527 K HA 0.592 4.913 4.320 0.001 0.000 0.239 527 K C -0.277 176.087 176.600 -0.394 0.000 0.999 527 K CA -0.882 55.118 56.287 -0.477 0.000 0.900 527 K CB 1.398 33.539 32.500 -0.599 0.000 1.111 527 K HN 0.692 nan 8.250 nan 0.000 0.452 528 R N 0.057 120.481 120.500 -0.128 0.000 2.778 528 R HA 0.471 4.812 4.340 0.001 0.000 0.277 528 R C -0.464 175.881 176.300 0.074 0.000 0.977 528 R CA -1.084 54.991 56.100 -0.041 0.000 0.950 528 R CB 1.460 31.756 30.300 -0.006 0.000 1.165 528 R HN 0.185 nan 8.270 nan 0.000 0.474 529 V N 2.151 122.047 119.914 -0.029 0.000 2.546 529 V HA 0.038 4.158 4.120 0.001 0.000 0.284 529 V C 0.313 176.489 176.094 0.138 0.000 1.050 529 V CA 0.388 62.696 62.300 0.015 0.000 0.981 529 V CB 1.269 32.847 31.823 -0.407 0.000 0.990 529 V HN 0.988 nan 8.190 nan 0.000 0.474 530 D N 0.548 121.074 120.400 0.211 0.000 2.460 530 D HA 0.041 4.681 4.640 0.001 0.000 0.263 530 D C 0.915 177.354 176.300 0.232 0.000 1.209 530 D CA 0.854 54.962 54.000 0.179 0.000 0.818 530 D CB 0.277 41.166 40.800 0.148 0.000 1.239 530 D HN 0.797 nan 8.370 nan 0.000 0.530 531 T N -2.198 112.524 114.554 0.281 0.000 7.880 531 T HA -0.327 4.024 4.350 0.001 0.000 0.303 531 T C 1.048 175.976 174.700 0.379 0.000 2.087 531 T CA 1.214 63.533 62.100 0.365 0.000 3.396 531 T CB -2.915 66.284 68.868 0.553 0.000 1.703 531 T HN 0.940 nan 8.240 nan 0.000 0.997 532 C N 0.909 120.381 119.300 0.287 0.000 3.101 532 C HA 0.896 5.356 4.460 0.001 0.000 0.253 532 C C 1.747 176.797 174.990 0.099 0.000 1.754 532 C CA -0.202 58.965 59.018 0.249 0.000 1.756 532 C CB -0.515 27.420 27.740 0.326 0.000 3.227 532 C HN 2.216 nan 8.230 nan 0.000 0.483 533 A N 0.118 122.976 122.820 0.064 0.000 2.771 533 A HA 0.210 4.530 4.320 0.001 0.000 0.294 533 A C 1.633 179.219 177.584 0.002 0.000 1.500 533 A CA 1.748 53.794 52.037 0.014 0.000 0.829 533 A CB -1.852 17.133 19.000 -0.026 0.000 0.998 533 A HN 2.858 nan 8.150 nan 0.000 0.526 534 A N -2.490 120.343 122.820 0.021 0.000 3.021 534 A HA -0.295 4.026 4.320 0.001 0.000 0.257 534 A C 1.084 178.589 177.584 -0.131 0.000 1.277 534 A CA 2.115 54.142 52.037 -0.016 0.000 1.012 534 A CB -2.306 16.694 19.000 -0.000 0.000 1.147 534 A HN 1.766 nan 8.150 nan 0.000 0.861 535 E N -1.594 118.449 120.200 -0.262 0.000 2.268 535 E HA 0.100 4.451 4.350 0.001 0.000 0.195 535 E C 0.079 176.033 176.600 -1.078 0.000 0.995 535 E CA 0.968 56.975 56.400 -0.655 0.000 0.836 535 E CB 0.005 29.199 29.700 -0.844 0.000 0.763 535 E HN 0.765 nan 8.360 nan 0.000 0.491 536 F N -0.897 119.048 119.950 -0.007 0.000 2.599 536 F HA 0.534 5.062 4.527 0.001 0.000 0.311 536 F C 0.088 175.879 175.800 -0.014 0.000 1.076 536 F CA -1.191 56.794 58.000 -0.025 0.000 0.937 536 F CB 1.358 40.322 39.000 -0.059 0.000 1.282 536 F HN -0.208 nan 8.300 nan 0.000 0.460 537 A N 0.792 123.707 122.820 0.160 0.000 2.313 537 A HA 0.627 4.947 4.320 0.001 0.000 0.261 537 A C -0.119 177.510 177.584 0.074 0.000 1.090 537 A CA -0.138 51.949 52.037 0.084 0.000 0.807 537 A CB 0.739 19.772 19.000 0.056 0.000 1.055 537 A HN 0.734 nan 8.150 nan 0.000 0.492 538 T N -1.179 113.400 114.554 0.043 0.000 2.893 538 T HA 0.479 4.830 4.350 0.001 0.000 0.291 538 T C -0.548 174.154 174.700 0.004 0.000 1.028 538 T CA -0.611 61.501 62.100 0.020 0.000 0.995 538 T CB 1.162 70.041 68.868 0.019 0.000 1.051 538 T HN 0.499 nan 8.240 nan 0.000 0.470 539 D N 2.083 122.476 120.400 -0.012 0.000 2.398 539 D HA 0.178 4.818 4.640 0.001 0.000 0.210 539 D C 0.286 176.577 176.300 -0.015 0.000 1.094 539 D CA 0.193 54.187 54.000 -0.011 0.000 0.839 539 D CB 0.735 41.529 40.800 -0.010 0.000 0.963 539 D HN 0.499 nan 8.370 nan 0.000 0.506 540 T N 0.570 115.106 114.554 -0.030 0.000 2.913 540 T HA 0.541 4.891 4.350 0.001 0.000 0.287 540 T C 0.263 174.963 174.700 -0.001 0.000 1.008 540 T CA -0.505 61.576 62.100 -0.032 0.000 1.067 540 T CB 2.079 70.872 68.868 -0.125 0.000 0.996 540 T HN -0.051 nan 8.240 nan 0.000 0.513 541 A N 2.678 125.507 122.820 0.017 0.000 2.923 541 A HA 0.443 4.763 4.320 0.001 0.000 0.343 541 A C -1.026 176.577 177.584 0.032 0.000 1.199 541 A CA -0.498 51.530 52.037 -0.015 0.000 0.878 541 A CB -0.224 18.734 19.000 -0.071 0.000 1.104 541 A HN 0.715 nan 8.150 nan 0.000 0.483 542 Y N 2.748 123.008 120.300 -0.066 0.000 2.478 542 Y HA 0.718 5.268 4.550 0.001 0.000 0.329 542 Y C -0.529 175.367 175.900 -0.007 0.000 0.967 542 Y CA -1.662 56.441 58.100 0.004 0.000 1.255 542 Y CB 0.541 39.048 38.460 0.078 0.000 1.103 542 Y HN 0.560 nan 8.280 nan 0.000 0.497 543 M N 6.305 125.903 119.600 -0.003 0.000 2.716 543 M HA 0.539 5.020 4.480 0.001 0.000 0.307 543 M C -1.517 174.873 176.300 0.150 0.000 1.223 543 M CA -1.108 54.142 55.300 -0.084 0.000 0.871 543 M CB 2.853 35.267 32.600 -0.310 0.000 1.739 543 M HN 0.526 nan 8.290 nan 0.000 0.475 544 Y N -1.694 118.662 120.300 0.093 0.000 2.562 544 Y HA 0.822 5.372 4.550 0.001 0.000 0.345 544 Y C -0.722 175.294 175.900 0.193 0.000 1.045 544 Y CA -1.306 56.887 58.100 0.155 0.000 1.028 544 Y CB 0.906 39.321 38.460 -0.075 0.000 1.297 544 Y HN 0.713 nan 8.280 nan 0.000 0.463 545 S N 1.120 116.930 115.700 0.183 0.000 2.646 545 S HA 0.843 5.314 4.470 0.001 0.000 0.276 545 S C -0.394 174.149 174.600 -0.094 0.000 1.222 545 S CA -0.122 57.917 58.200 -0.269 0.000 1.014 545 S CB 1.894 64.938 63.200 -0.259 0.000 0.991 545 S HN 1.114 nan 8.310 nan 0.000 0.533 546 T N -0.123 114.269 114.554 -0.270 0.000 2.733 546 T HA 0.411 4.762 4.350 0.001 0.000 0.312 546 T C -2.240 172.316 174.700 -0.240 0.000 1.590 546 T CA -0.620 61.444 62.100 -0.060 0.000 1.005 546 T CB 0.572 69.470 68.868 0.050 0.000 1.528 546 T HN 0.580 nan 8.240 nan 0.000 0.496 547 Y N 1.980 122.266 120.300 -0.024 0.000 2.804 547 Y HA 0.573 5.124 4.550 0.001 0.000 0.330 547 Y C 0.760 176.659 175.900 -0.002 0.000 1.092 547 Y CA -0.267 57.823 58.100 -0.017 0.000 1.315 547 Y CB 0.730 39.192 38.460 0.004 0.000 1.188 547 Y HN 0.585 nan 8.280 nan 0.000 0.512 548 E N 0.023 120.224 120.200 0.002 0.000 2.475 548 E HA 0.293 4.644 4.350 0.001 0.000 0.221 548 E C 0.405 177.007 176.600 0.004 0.000 0.793 548 E CA -0.500 55.914 56.400 0.024 0.000 0.922 548 E CB 1.156 30.870 29.700 0.023 0.000 1.778 548 E HN 0.266 nan 8.360 nan 0.000 0.392 549 E N 0.604 120.808 120.200 0.007 0.000 2.065 549 E HA 0.017 4.367 4.350 0.001 0.000 0.191 549 E C -0.092 176.504 176.600 -0.007 0.000 0.960 549 E CA 0.584 56.988 56.400 0.007 0.000 0.824 549 E CB 0.037 29.746 29.700 0.016 0.000 0.793 549 E HN 0.378 nan 8.360 nan 0.000 0.459 550 E N 0.437 120.631 120.200 -0.011 0.000 2.249 550 E HA 0.189 4.539 4.350 0.001 0.000 0.280 550 E C -1.086 175.497 176.600 -0.029 0.000 1.016 550 E CA -0.280 56.113 56.400 -0.012 0.000 0.830 550 E CB 1.259 30.956 29.700 -0.004 0.000 1.081 550 E HN 0.051 nan 8.360 nan 0.000 0.395 551 C N 4.202 123.494 119.300 -0.015 0.000 2.376 551 C HA 0.373 4.833 4.460 0.001 0.000 0.335 551 C C 0.330 175.330 174.990 0.016 0.000 1.229 551 C CA -0.283 58.735 59.018 -0.001 0.000 1.867 551 C CB 0.256 28.017 27.740 0.034 0.000 2.319 551 C HN 0.958 nan 8.230 nan 0.000 0.515 552 E N 2.904 123.118 120.200 0.022 0.000 2.603 552 E HA 0.178 4.528 4.350 0.001 0.000 0.211 552 E C 1.385 177.998 176.600 0.022 0.000 0.995 552 E CA 0.221 56.628 56.400 0.012 0.000 0.990 552 E CB 0.548 30.240 29.700 -0.013 0.000 1.036 552 E HN 0.778 nan 8.360 nan 0.000 0.475 553 A N 2.133 124.996 122.820 0.071 0.000 1.865 553 A HA -0.221 4.100 4.320 0.001 0.000 0.217 553 A C 0.866 178.460 177.584 0.017 0.000 1.191 553 A CA 0.948 53.013 52.037 0.046 0.000 0.623 553 A CB -0.416 18.649 19.000 0.107 0.000 0.826 553 A HN 0.345 nan 8.150 nan 0.000 0.444 554 N N -0.526 118.191 118.700 0.029 0.000 2.669 554 N HA -0.109 4.631 4.740 0.001 0.000 0.266 554 N C -2.558 172.960 175.510 0.014 0.000 1.024 554 N CA 1.182 54.242 53.050 0.017 0.000 0.766 554 N CB -1.722 36.771 38.487 0.010 0.000 0.898 554 N HN 0.436 nan 8.380 nan 0.000 0.548 555 P HA 0.090 nan 4.420 nan 0.000 0.269 555 P C 0.263 177.573 177.300 0.017 0.000 1.215 555 P CA -0.165 62.949 63.100 0.023 0.000 0.780 555 P CB 0.597 32.313 31.700 0.026 0.000 0.898 556 S N -0.236 115.476 115.700 0.019 0.000 2.584 556 S HA 0.270 4.740 4.470 0.001 0.000 0.273 556 S C 1.035 175.644 174.600 0.015 0.000 1.311 556 S CA 0.190 58.399 58.200 0.015 0.000 1.034 556 S CB 0.364 63.575 63.200 0.017 0.000 0.939 556 S HN 0.611 nan 8.310 nan 0.000 0.513 557 T N -1.631 112.930 114.554 0.011 0.000 2.990 557 T HA 0.102 4.452 4.350 0.001 0.000 0.250 557 T C 1.095 175.800 174.700 0.009 0.000 1.041 557 T CA 0.476 62.581 62.100 0.009 0.000 1.010 557 T CB -0.311 68.561 68.868 0.007 0.000 1.003 557 T HN 0.584 nan 8.240 nan 0.000 0.499 558 D N 2.767 123.172 120.400 0.008 0.000 2.106 558 D HA -0.106 4.535 4.640 0.001 0.000 0.191 558 D C 1.220 177.523 176.300 0.004 0.000 0.997 558 D CA 1.321 55.324 54.000 0.005 0.000 0.834 558 D CB 0.177 40.979 40.800 0.004 0.000 0.956 558 D HN 0.643 nan 8.370 nan 0.000 0.448 559 R N -0.605 119.902 120.500 0.013 0.000 3.084 559 R HA 0.558 4.899 4.340 0.001 0.000 0.234 559 R C -0.260 176.064 176.300 0.040 0.000 1.433 559 R CA -0.851 55.258 56.100 0.014 0.000 1.053 559 R CB 0.442 30.747 30.300 0.009 0.000 1.449 559 R HN -0.076 nan 8.270 nan 0.000 0.505 560 E N 1.596 121.832 120.200 0.060 0.000 2.130 560 E HA 0.172 4.522 4.350 0.001 0.000 0.284 560 E C -0.891 175.846 176.600 0.229 0.000 1.018 560 E CA -0.286 56.200 56.400 0.143 0.000 0.817 560 E CB 1.234 31.054 29.700 0.201 0.000 1.078 560 E HN 0.170 nan 8.360 nan 0.000 0.396 561 K N 2.962 123.449 120.400 0.145 0.000 2.130 561 K HA 0.469 4.790 4.320 0.001 0.000 0.268 561 K C -0.379 176.243 176.600 0.038 0.000 0.983 561 K CA -0.735 55.614 56.287 0.105 0.000 0.893 561 K CB 1.380 33.913 32.500 0.055 0.000 1.066 561 K HN 0.312 nan 8.250 nan 0.000 0.450 562 I N 3.189 123.758 120.570 -0.003 0.000 2.418 562 I HA 0.302 4.472 4.170 0.001 0.000 0.287 562 I C -0.526 175.556 176.117 -0.059 0.000 1.008 562 I CA -0.598 60.639 61.300 -0.106 0.000 1.104 562 I CB 1.501 39.342 38.000 -0.266 0.000 1.264 562 I HN 0.705 nan 8.210 nan 0.000 0.438 563 M N 6.687 126.246 119.600 -0.068 0.000 2.238 563 M HA 0.569 5.050 4.480 0.001 0.000 0.350 563 M C -1.411 174.851 176.300 -0.064 0.000 1.138 563 M CA -0.510 54.762 55.300 -0.047 0.000 1.040 563 M CB 1.552 34.120 32.600 -0.052 0.000 1.639 563 M HN 0.312 nan 8.290 nan 0.000 0.451 564 V N 6.450 126.342 119.914 -0.037 0.000 2.448 564 V HA 0.449 4.570 4.120 0.001 0.000 0.295 564 V C -0.440 175.645 176.094 -0.015 0.000 1.025 564 V CA -0.759 61.519 62.300 -0.038 0.000 0.859 564 V CB 1.682 33.498 31.823 -0.012 0.000 0.988 564 V HN 0.780 nan 8.190 nan 0.000 0.431 565 L N 4.518 125.730 121.223 -0.017 0.000 2.272 565 L HA 0.663 5.003 4.340 0.001 0.000 0.289 565 L C 1.008 177.884 176.870 0.010 0.000 1.032 565 L CA -0.210 54.623 54.840 -0.012 0.000 0.810 565 L CB 1.253 43.297 42.059 -0.025 0.000 1.205 565 L HN 0.774 nan 8.230 nan 0.000 0.422 566 G N 1.487 110.286 108.800 -0.003 0.000 2.535 566 G HA2 0.376 4.337 3.960 0.001 0.000 0.282 566 G HA3 0.376 4.337 3.960 0.001 0.000 0.282 566 G C 0.768 175.657 174.900 -0.019 0.000 1.350 566 G CA 0.099 45.200 45.100 0.002 0.000 1.039 566 G HN 0.751 nan 8.290 nan 0.000 0.509 567 G N -1.910 106.876 108.800 -0.023 0.000 3.159 567 G HA2 0.530 4.491 3.960 0.001 0.000 0.232 567 G HA3 0.530 4.491 3.960 0.001 0.000 0.232 567 G C 0.905 175.770 174.900 -0.060 0.000 1.116 567 G CA 0.852 45.919 45.100 -0.055 0.000 0.767 567 G HN 1.878 nan 8.290 nan 0.000 0.547 568 G N 0.605 109.368 108.800 -0.061 0.000 2.584 568 G HA2 -0.130 3.830 3.960 0.001 0.000 0.229 568 G HA3 -0.130 3.830 3.960 0.001 0.000 0.229 568 G C -2.616 172.254 174.900 -0.050 0.000 1.320 568 G CA -0.381 44.683 45.100 -0.061 0.000 0.891 568 G HN 0.319 nan 8.290 nan 0.000 0.573 569 P HA 0.191 nan 4.420 nan 0.000 0.269 569 P C -0.026 177.257 177.300 -0.029 0.000 1.209 569 P CA -0.004 63.076 63.100 -0.033 0.000 0.776 569 P CB 0.235 31.917 31.700 -0.030 0.000 0.876 570 N N 1.747 120.433 118.700 -0.023 0.000 2.503 570 N HA 0.373 5.114 4.740 0.001 0.000 0.267 570 N C -0.009 175.489 175.510 -0.019 0.000 1.214 570 N CA -0.258 52.790 53.050 -0.005 0.000 0.959 570 N CB 0.435 38.923 38.487 0.003 0.000 1.142 570 N HN 0.342 nan 8.380 nan 0.000 0.455 571 R N 0.286 120.783 120.500 -0.005 0.000 2.766 571 R HA 0.437 4.778 4.340 0.001 0.000 0.270 571 R C -1.134 175.169 176.300 0.005 0.000 1.035 571 R CA -0.837 55.255 56.100 -0.012 0.000 0.911 571 R CB 0.339 30.627 30.300 -0.020 0.000 1.243 571 R HN 0.383 nan 8.270 nan 0.000 0.460 572 I N 1.814 122.385 120.570 0.001 0.000 2.668 572 I HA 0.200 4.371 4.170 0.001 0.000 0.285 572 I C 1.162 177.270 176.117 -0.015 0.000 1.168 572 I CA 1.818 63.116 61.300 -0.003 0.000 1.424 572 I CB 0.492 38.489 38.000 -0.005 0.000 1.377 572 I HN 0.951 nan 8.210 nan 0.000 0.560 573 G N 4.689 113.499 108.800 0.015 0.000 2.217 573 G HA2 -0.219 3.742 3.960 0.001 0.000 0.246 573 G HA3 -0.219 3.742 3.960 0.001 0.000 0.246 573 G C 0.356 175.368 174.900 0.185 0.000 0.990 573 G CA -0.366 44.766 45.100 0.053 0.000 0.627 573 G HN 0.541 nan 8.290 nan 0.000 0.522 574 Q N 0.990 120.877 119.800 0.145 0.000 2.943 574 Q HA 0.508 4.849 4.340 0.001 0.000 0.327 574 Q C 0.742 176.896 176.000 0.257 0.000 0.937 574 Q CA 0.379 56.269 55.803 0.145 0.000 0.914 574 Q CB 0.812 29.500 28.738 -0.084 0.000 1.339 574 Q HN 0.554 nan 8.270 nan 0.000 0.417 575 G N 0.114 109.146 108.800 0.387 0.000 2.531 575 G HA2 0.301 4.261 3.960 0.001 0.000 0.281 575 G HA3 0.301 4.261 3.960 0.001 0.000 0.281 575 G C 0.748 175.758 174.900 0.185 0.000 1.382 575 G CA -0.588 44.627 45.100 0.191 0.000 1.045 575 G HN 0.481 nan 8.290 nan 0.000 0.533 576 I N -0.386 120.222 120.570 0.063 0.000 2.700 576 I HA -0.135 4.036 4.170 0.001 0.000 0.261 576 I C 2.325 178.442 176.117 0.001 0.000 1.219 576 I CA 1.211 62.541 61.300 0.050 0.000 1.463 576 I CB -0.006 38.016 38.000 0.035 0.000 1.092 576 I HN 0.571 nan 8.210 nan 0.000 0.452 577 E N 0.538 120.642 120.200 -0.160 0.000 2.110 577 E HA -0.221 4.129 4.350 0.001 0.000 0.193 577 E C 1.776 178.170 176.600 -0.344 0.000 0.988 577 E CA 1.664 57.845 56.400 -0.365 0.000 0.804 577 E CB -0.296 29.036 29.700 -0.613 0.000 0.745 577 E HN 0.521 nan 8.360 nan 0.000 0.458 578 F N 0.506 120.461 119.950 0.008 0.000 2.187 578 F HA -0.026 4.502 4.527 0.001 0.000 0.295 578 F C 2.073 177.895 175.800 0.037 0.000 1.091 578 F CA 1.059 59.065 58.000 0.010 0.000 1.308 578 F CB -0.552 38.453 39.000 0.008 0.000 1.030 578 F HN -0.034 nan 8.300 nan 0.000 0.487 579 D N -0.691 119.841 120.400 0.221 0.000 2.104 579 D HA -0.296 4.345 4.640 0.001 0.000 0.194 579 D C 2.158 178.517 176.300 0.099 0.000 0.994 579 D CA 1.331 55.412 54.000 0.135 0.000 0.830 579 D CB -0.336 40.521 40.800 0.094 0.000 0.959 579 D HN 0.283 nan 8.370 nan 0.000 0.452 580 Y N 0.599 120.861 120.300 -0.063 0.000 2.114 580 Y HA -0.350 4.201 4.550 0.001 0.000 0.282 580 Y C 2.354 178.146 175.900 -0.181 0.000 1.165 580 Y CA 1.843 59.847 58.100 -0.159 0.000 1.148 580 Y CB -0.576 37.752 38.460 -0.219 0.000 0.972 580 Y HN 0.177 nan 8.280 nan 0.000 0.504 581 C N -0.932 118.407 119.300 0.065 0.000 2.413 581 C HA -0.239 4.222 4.460 0.001 0.000 0.276 581 C C 2.978 178.054 174.990 0.143 0.000 1.248 581 C CA 1.027 60.011 59.018 -0.056 0.000 1.742 581 C CB -1.748 25.766 27.740 -0.376 0.000 2.017 581 C HN 0.781 nan 8.230 nan 0.000 0.481 582 C N 0.237 119.660 119.300 0.206 0.000 2.429 582 C HA -0.084 4.376 4.460 0.001 0.000 0.277 582 C C 2.772 177.855 174.990 0.155 0.000 1.262 582 C CA 0.981 60.151 59.018 0.252 0.000 1.733 582 C CB -1.382 26.458 27.740 0.167 0.000 2.010 582 C HN 0.546 nan 8.230 nan 0.000 0.483 583 V N -0.171 119.784 119.914 0.067 0.000 2.295 583 V HA -0.267 3.853 4.120 0.001 0.000 0.246 583 V C 2.326 178.489 176.094 0.116 0.000 1.049 583 V CA 2.098 64.424 62.300 0.042 0.000 1.024 583 V CB -0.924 30.871 31.823 -0.046 0.000 0.648 583 V HN 0.657 nan 8.190 nan 0.000 0.447 584 H N -0.447 118.570 119.070 -0.087 0.000 2.352 584 H HA -0.187 4.370 4.556 0.001 0.000 0.299 584 H C 2.329 177.691 175.328 0.056 0.000 1.097 584 H CA 1.229 57.243 56.048 -0.057 0.000 1.311 584 H CB 0.050 29.753 29.762 -0.098 0.000 1.377 584 H HN 0.484 nan 8.280 nan 0.000 0.504 585 A N 0.083 123.069 122.820 0.276 0.000 1.902 585 A HA -0.209 4.112 4.320 0.001 0.000 0.217 585 A C 2.559 180.184 177.584 0.069 0.000 1.181 585 A CA 1.815 53.958 52.037 0.177 0.000 0.623 585 A CB -0.721 18.346 19.000 0.113 0.000 0.818 585 A HN 0.388 nan 8.150 nan 0.000 0.443 586 S N -0.344 115.399 115.700 0.073 0.000 2.345 586 S HA -0.097 4.374 4.470 0.001 0.000 0.220 586 S C 1.968 176.592 174.600 0.040 0.000 1.031 586 S CA 1.419 59.647 58.200 0.046 0.000 0.996 586 S CB -0.549 62.679 63.200 0.046 0.000 0.882 586 S HN 0.483 nan 8.310 nan 0.000 0.445 587 L N 1.187 122.427 121.223 0.029 0.000 2.079 587 L HA -0.101 4.240 4.340 0.001 0.000 0.210 587 L C 2.960 179.825 176.870 -0.007 0.000 1.081 587 L CA 1.307 56.145 54.840 -0.002 0.000 0.752 587 L CB -0.867 41.164 42.059 -0.046 0.000 0.896 587 L HN 0.417 nan 8.230 nan 0.000 0.433 588 A N 0.613 123.427 122.820 -0.010 0.000 1.841 588 A HA -0.127 4.193 4.320 0.001 0.000 0.214 588 A C 2.236 179.854 177.584 0.057 0.000 1.195 588 A CA 1.367 53.407 52.037 0.005 0.000 0.611 588 A CB -0.812 18.193 19.000 0.010 0.000 0.835 588 A HN 0.347 nan 8.150 nan 0.000 0.443 589 L N -1.012 120.256 121.223 0.074 0.000 2.191 589 L HA -0.166 4.175 4.340 0.001 0.000 0.212 589 L C 2.752 179.755 176.870 0.222 0.000 1.103 589 L CA 1.605 56.544 54.840 0.165 0.000 0.769 589 L CB -0.506 41.570 42.059 0.028 0.000 0.908 589 L HN 0.462 nan 8.230 nan 0.000 0.438 590 R N 0.787 121.358 120.500 0.118 0.000 2.062 590 R HA -0.226 4.115 4.340 0.001 0.000 0.231 590 R C 2.306 178.643 176.300 0.061 0.000 1.136 590 R CA 1.821 57.976 56.100 0.093 0.000 0.948 590 R CB -0.115 30.221 30.300 0.059 0.000 0.845 590 R HN 0.293 nan 8.270 nan 0.000 0.430 591 E N 0.774 121.000 120.200 0.043 0.000 2.097 591 E HA -0.228 4.122 4.350 0.001 0.000 0.196 591 E C 1.099 177.711 176.600 0.019 0.000 1.000 591 E CA 2.166 58.579 56.400 0.021 0.000 0.804 591 E CB -0.266 29.440 29.700 0.009 0.000 0.740 591 E HN 0.316 nan 8.360 nan 0.000 0.454 592 D N -1.018 119.412 120.400 0.049 0.000 2.392 592 D HA 0.046 4.687 4.640 0.001 0.000 0.228 592 D C 0.934 177.197 176.300 -0.062 0.000 1.003 592 D CA 1.196 55.215 54.000 0.031 0.000 0.917 592 D CB 0.133 41.009 40.800 0.128 0.000 0.890 592 D HN 0.443 nan 8.370 nan 0.000 0.532 593 G N -0.823 107.948 108.800 -0.048 0.000 2.144 593 G HA2 -0.270 3.691 3.960 0.001 0.000 0.218 593 G HA3 -0.270 3.691 3.960 0.001 0.000 0.218 593 G C -0.125 174.649 174.900 -0.211 0.000 0.988 593 G CA -0.418 44.602 45.100 -0.133 0.000 0.659 593 G HN 0.278 nan 8.290 nan 0.000 0.522 594 Y N 0.335 120.634 120.300 -0.001 0.000 2.403 594 Y HA 0.565 5.116 4.550 0.001 0.000 0.323 594 Y C 0.858 176.760 175.900 0.003 0.000 1.226 594 Y CA -0.708 57.392 58.100 -0.001 0.000 1.235 594 Y CB 0.988 39.446 38.460 -0.003 0.000 1.248 594 Y HN 0.155 nan 8.280 nan 0.000 0.489 595 E N 1.604 121.922 120.200 0.196 0.000 2.105 595 E HA 0.141 4.491 4.350 0.001 0.000 0.285 595 E C -0.844 175.826 176.600 0.116 0.000 1.055 595 E CA -0.418 56.052 56.400 0.116 0.000 0.843 595 E CB 0.451 30.199 29.700 0.080 0.000 1.067 595 E HN 0.653 nan 8.360 nan 0.000 0.398 596 T N 2.521 117.131 114.554 0.094 0.000 2.767 596 T HA 0.500 4.850 4.350 0.001 0.000 0.288 596 T C 0.142 174.881 174.700 0.065 0.000 0.963 596 T CA -0.709 61.431 62.100 0.067 0.000 1.019 596 T CB 0.488 69.391 68.868 0.059 0.000 0.923 596 T HN 0.293 nan 8.240 nan 0.000 0.468 597 I N 3.711 124.319 120.570 0.062 0.000 2.362 597 I HA 0.443 4.614 4.170 0.001 0.000 0.289 597 I C -0.285 175.880 176.117 0.080 0.000 0.994 597 I CA -1.011 60.347 61.300 0.096 0.000 1.158 597 I CB 1.882 39.950 38.000 0.112 0.000 1.315 597 I HN 0.560 nan 8.210 nan 0.000 0.451 598 M N 7.827 127.489 119.600 0.103 0.000 2.364 598 M HA 0.564 5.045 4.480 0.001 0.000 0.334 598 M C -1.446 174.916 176.300 0.103 0.000 1.107 598 M CA -0.482 54.862 55.300 0.074 0.000 0.988 598 M CB 1.707 34.340 32.600 0.055 0.000 1.673 598 M HN 0.269 nan 8.290 nan 0.000 0.441 599 V N 5.366 125.309 119.914 0.049 0.000 2.409 599 V HA 0.723 4.844 4.120 0.001 0.000 0.290 599 V C -0.621 175.453 176.094 -0.034 0.000 1.017 599 V CA -0.562 61.761 62.300 0.037 0.000 0.841 599 V CB 1.152 32.981 31.823 0.010 0.000 1.003 599 V HN 0.945 nan 8.190 nan 0.000 0.426 600 N N 2.504 121.140 118.700 -0.107 0.000 3.185 600 N HA 0.476 5.217 4.740 0.001 0.000 0.238 600 N C -0.412 174.794 175.510 -0.507 0.000 1.451 600 N CA -0.036 52.883 53.050 -0.218 0.000 0.888 600 N CB 1.907 40.283 38.487 -0.186 0.000 1.413 600 N HN 0.692 nan 8.380 nan 0.000 0.511 601 C N -0.569 118.424 119.300 -0.511 0.000 3.489 601 C HA 0.512 4.973 4.460 0.001 0.000 0.264 601 C C -0.042 174.737 174.990 -0.352 0.000 2.026 601 C CA -0.963 57.617 59.018 -0.729 0.000 1.705 601 C CB -1.495 26.128 27.740 -0.195 0.000 3.389 601 C HN 0.574 nan 8.230 nan 0.000 0.459 602 N N 3.165 121.691 118.700 -0.289 0.000 2.406 602 N HA 0.341 5.082 4.740 0.001 0.000 0.251 602 N C -1.269 174.236 175.510 -0.009 0.000 1.069 602 N CA -2.020 50.974 53.050 -0.093 0.000 0.947 602 N CB 1.646 40.082 38.487 -0.085 0.000 1.111 602 N HN 0.250 nan 8.380 nan 0.000 0.497 603 P HA -0.036 nan 4.420 nan 0.000 0.226 603 P C 0.263 177.509 177.300 -0.090 0.000 1.153 603 P CA 1.076 64.264 63.100 0.147 0.000 0.777 603 P CB 0.440 32.209 31.700 0.115 0.000 0.794 604 E N -0.328 119.817 120.200 -0.090 0.000 2.371 604 E HA -0.006 4.345 4.350 0.001 0.000 0.194 604 E C 0.727 177.241 176.600 -0.144 0.000 1.012 604 E CA 0.556 56.875 56.400 -0.135 0.000 0.860 604 E CB -0.157 29.490 29.700 -0.089 0.000 0.811 604 E HN 0.377 nan 8.360 nan 0.000 0.502 605 T N -2.438 112.037 114.554 -0.133 0.000 2.927 605 T HA 0.222 4.572 4.350 0.001 0.000 0.281 605 T C 1.313 175.977 174.700 -0.060 0.000 0.998 605 T CA -0.815 61.248 62.100 -0.063 0.000 1.019 605 T CB 1.896 70.742 68.868 -0.038 0.000 1.061 605 T HN -0.244 nan 8.240 nan 0.000 0.518 606 V N 1.569 121.518 119.914 0.059 0.000 2.515 606 V HA -0.140 3.981 4.120 0.001 0.000 0.250 606 V C 3.012 179.120 176.094 0.024 0.000 1.058 606 V CA 2.089 64.452 62.300 0.104 0.000 1.064 606 V CB -1.069 30.808 31.823 0.089 0.000 0.675 606 V HN 1.109 nan 8.190 nan 0.000 0.461 607 S N 0.840 116.539 115.700 -0.002 0.000 2.442 607 S HA -0.176 4.295 4.470 0.001 0.000 0.236 607 S C 1.725 176.302 174.600 -0.039 0.000 1.007 607 S CA 1.568 59.761 58.200 -0.012 0.000 0.965 607 S CB -0.727 62.469 63.200 -0.007 0.000 0.773 607 S HN 0.738 nan 8.310 nan 0.000 0.504 608 T N -1.465 113.047 114.554 -0.070 0.000 3.163 608 T HA 0.215 4.566 4.350 0.001 0.000 0.252 608 T C -0.051 174.594 174.700 -0.092 0.000 1.056 608 T CA -0.395 61.669 62.100 -0.060 0.000 0.947 608 T CB -0.195 68.651 68.868 -0.037 0.000 1.016 608 T HN 0.244 nan 8.240 nan 0.000 0.554 609 D N 1.465 121.805 120.400 -0.100 0.000 2.277 609 D HA 0.104 4.744 4.640 0.001 0.000 0.249 609 D C 1.149 177.317 176.300 -0.220 0.000 1.134 609 D CA -0.891 53.019 54.000 -0.151 0.000 0.863 609 D CB 0.835 41.644 40.800 0.015 0.000 1.143 609 D HN 0.417 nan 8.370 nan 0.000 0.458 610 Y N 2.112 122.315 120.300 -0.162 0.000 2.241 610 Y HA -0.149 4.402 4.550 0.001 0.000 0.286 610 Y C 1.357 177.229 175.900 -0.047 0.000 1.166 610 Y CA 1.027 59.032 58.100 -0.158 0.000 1.203 610 Y CB -0.562 37.778 38.460 -0.200 0.000 0.977 610 Y HN 0.257 nan 8.280 nan 0.000 0.529 611 D N 0.187 120.490 120.400 -0.161 0.000 2.264 611 D HA -0.110 4.530 4.640 0.001 0.000 0.208 611 D C 1.732 178.033 176.300 0.001 0.000 0.966 611 D CA 1.623 55.611 54.000 -0.020 0.000 0.864 611 D CB -0.289 40.461 40.800 -0.083 0.000 0.933 611 D HN 0.503 nan 8.370 nan 0.000 0.499 612 T N -0.123 114.420 114.554 -0.018 0.000 2.962 612 T HA -0.025 4.325 4.350 0.001 0.000 0.270 612 T C 1.104 175.820 174.700 0.026 0.000 1.088 612 T CA 0.692 62.794 62.100 0.004 0.000 1.127 612 T CB 0.162 69.030 68.868 0.000 0.000 0.883 612 T HN 0.248 nan 8.240 nan 0.000 0.493 613 S N -0.634 115.089 115.700 0.040 0.000 2.705 613 S HA 0.400 4.871 4.470 0.001 0.000 0.280 613 S C -0.158 174.478 174.600 0.059 0.000 1.174 613 S CA -0.947 57.283 58.200 0.049 0.000 0.823 613 S CB 1.392 64.623 63.200 0.052 0.000 1.162 613 S HN -0.106 nan 8.310 nan 0.000 0.487 614 D N 0.842 121.276 120.400 0.057 0.000 2.091 614 D HA 0.055 4.695 4.640 0.001 0.000 0.199 614 D C 0.255 176.582 176.300 0.044 0.000 0.980 614 D CA 1.271 55.302 54.000 0.052 0.000 0.831 614 D CB 0.028 40.858 40.800 0.050 0.000 0.987 614 D HN 0.441 nan 8.370 nan 0.000 0.460 615 R N 0.064 120.590 120.500 0.043 0.000 2.561 615 R HA 0.525 4.865 4.340 0.001 0.000 0.297 615 R C -1.077 175.236 176.300 0.021 0.000 0.969 615 R CA -0.781 55.318 56.100 -0.001 0.000 0.879 615 R CB 2.361 32.653 30.300 -0.013 0.000 1.178 615 R HN -0.054 nan 8.270 nan 0.000 0.445 616 L N 2.892 124.112 121.223 -0.006 0.000 2.349 616 L HA 0.445 4.786 4.340 0.001 0.000 0.278 616 L C -1.678 175.235 176.870 0.071 0.000 0.996 616 L CA -0.533 54.367 54.840 0.101 0.000 0.825 616 L CB 1.043 43.200 42.059 0.164 0.000 1.243 616 L HN 0.516 nan 8.230 nan 0.000 0.412 617 Y N 5.440 125.830 120.300 0.151 0.000 2.491 617 Y HA 0.330 4.880 4.550 0.001 0.000 0.334 617 Y C -0.428 175.597 175.900 0.208 0.000 0.969 617 Y CA -0.290 57.905 58.100 0.158 0.000 1.241 617 Y CB 0.947 39.428 38.460 0.035 0.000 1.105 617 Y HN 0.548 nan 8.280 nan 0.000 0.503 618 F N 4.756 124.895 119.950 0.315 0.000 2.652 618 F HA 0.256 4.784 4.527 0.001 0.000 0.352 618 F C -0.019 175.907 175.800 0.211 0.000 1.259 618 F CA -0.174 57.981 58.000 0.258 0.000 1.249 618 F CB -0.316 38.869 39.000 0.309 0.000 1.628 618 F HN 0.413 nan 8.300 nan 0.000 0.654 619 E N 4.173 124.500 120.200 0.211 0.000 2.392 619 E HA 0.381 4.731 4.350 0.001 0.000 0.269 619 E C -2.711 173.936 176.600 0.078 0.000 0.924 619 E CA -2.312 54.209 56.400 0.201 0.000 0.784 619 E CB 1.542 31.378 29.700 0.226 0.000 1.292 619 E HN 0.077 nan 8.360 nan 0.000 0.447 620 P HA 0.044 nan 4.420 nan 0.000 0.268 620 P C 0.015 177.331 177.300 0.027 0.000 1.204 620 P CA -0.116 63.014 63.100 0.049 0.000 0.768 620 P CB 0.402 32.137 31.700 0.059 0.000 0.842 621 V N 3.446 123.359 119.914 -0.001 0.000 2.056 621 V HA 0.135 4.256 4.120 0.001 0.000 0.267 621 V C 0.995 177.084 176.094 -0.009 0.000 1.535 621 V CA 0.227 62.519 62.300 -0.013 0.000 1.475 621 V CB -1.195 30.608 31.823 -0.033 0.000 1.441 621 V HN 0.691 nan 8.190 nan 0.000 0.500 622 T N -1.093 113.464 114.554 0.005 0.000 2.926 622 T HA 0.549 4.900 4.350 0.001 0.000 0.289 622 T C 0.707 175.411 174.700 0.006 0.000 1.054 622 T CA -0.661 61.442 62.100 0.006 0.000 1.015 622 T CB 2.119 70.999 68.868 0.020 0.000 1.167 622 T HN 0.056 nan 8.240 nan 0.000 0.526 623 L N 0.900 122.126 121.223 0.005 0.000 1.970 623 L HA 0.031 4.372 4.340 0.001 0.000 0.212 623 L C 2.717 179.598 176.870 0.017 0.000 1.071 623 L CA 2.422 57.265 54.840 0.005 0.000 0.751 623 L CB -0.967 41.094 42.059 0.003 0.000 0.889 623 L HN 1.010 nan 8.230 nan 0.000 0.432 624 E N -0.641 119.576 120.200 0.029 0.000 2.065 624 E HA -0.290 4.060 4.350 0.001 0.000 0.201 624 E C 1.765 178.402 176.600 0.062 0.000 1.016 624 E CA 2.052 58.481 56.400 0.049 0.000 0.818 624 E CB -0.241 29.494 29.700 0.058 0.000 0.749 624 E HN 0.651 nan 8.360 nan 0.000 0.453 625 D N -0.104 120.332 120.400 0.060 0.000 2.144 625 D HA -0.127 4.513 4.640 0.001 0.000 0.200 625 D C 2.160 178.479 176.300 0.032 0.000 0.978 625 D CA 1.146 55.190 54.000 0.073 0.000 0.833 625 D CB 0.038 40.889 40.800 0.085 0.000 0.961 625 D HN 0.174 nan 8.370 nan 0.000 0.470 626 V N 1.677 121.593 119.914 0.003 0.000 2.358 626 V HA -0.188 3.933 4.120 0.001 0.000 0.246 626 V C 2.657 178.724 176.094 -0.045 0.000 1.047 626 V CA 0.959 63.236 62.300 -0.039 0.000 1.035 626 V CB -0.411 31.392 31.823 -0.034 0.000 0.658 626 V HN 0.180 nan 8.190 nan 0.000 0.452 627 L N -0.427 120.791 121.223 -0.008 0.000 2.083 627 L HA -0.144 4.197 4.340 0.001 0.000 0.209 627 L C 2.780 179.658 176.870 0.014 0.000 1.083 627 L CA 1.284 56.125 54.840 0.002 0.000 0.752 627 L CB -0.540 41.534 42.059 0.024 0.000 0.899 627 L HN 0.332 nan 8.230 nan 0.000 0.433 628 E N 0.246 120.475 120.200 0.049 0.000 2.077 628 E HA -0.189 4.162 4.350 0.001 0.000 0.193 628 E C 2.219 178.838 176.600 0.032 0.000 0.989 628 E CA 1.298 57.756 56.400 0.098 0.000 0.800 628 E CB -0.190 29.614 29.700 0.173 0.000 0.746 628 E HN 0.518 nan 8.360 nan 0.000 0.452 629 I N 0.263 120.772 120.570 -0.102 0.000 2.315 629 I HA -0.205 3.966 4.170 0.001 0.000 0.248 629 I C 2.369 178.333 176.117 -0.254 0.000 1.117 629 I CA 0.507 61.582 61.300 -0.376 0.000 1.404 629 I CB -0.137 37.452 38.000 -0.685 0.000 1.071 629 I HN -0.088 nan 8.210 nan 0.000 0.419 630 V N 0.899 120.721 119.914 -0.154 0.000 2.427 630 V HA -0.272 3.849 4.120 0.001 0.000 0.248 630 V C 2.642 178.694 176.094 -0.070 0.000 1.051 630 V CA 1.838 64.076 62.300 -0.103 0.000 1.048 630 V CB -0.791 30.991 31.823 -0.070 0.000 0.666 630 V HN 0.433 nan 8.190 nan 0.000 0.456 631 R N 0.715 121.185 120.500 -0.051 0.000 2.113 631 R HA -0.229 4.111 4.340 0.001 0.000 0.244 631 R C 2.279 178.550 176.300 -0.048 0.000 1.142 631 R CA 2.708 58.784 56.100 -0.039 0.000 0.953 631 R CB -0.398 29.887 30.300 -0.025 0.000 0.860 631 R HN 0.699 nan 8.270 nan 0.000 0.438 632 I N -1.978 118.561 120.570 -0.051 0.000 2.585 632 I HA 0.025 4.196 4.170 0.001 0.000 0.254 632 I C 1.645 177.737 176.117 -0.042 0.000 1.129 632 I CA 0.826 62.103 61.300 -0.039 0.000 1.455 632 I CB -0.256 37.743 38.000 -0.002 0.000 1.111 632 I HN -0.038 nan 8.210 nan 0.000 0.433 633 E N 1.915 122.072 120.200 -0.072 0.000 2.158 633 E HA -0.087 4.263 4.350 0.001 0.000 0.191 633 E C 0.275 176.860 176.600 -0.025 0.000 0.982 633 E CA 0.397 56.773 56.400 -0.042 0.000 0.823 633 E CB -0.176 29.492 29.700 -0.054 0.000 0.766 633 E HN 0.513 nan 8.360 nan 0.000 0.468 634 K N 1.066 121.445 120.400 -0.035 0.000 3.278 634 K HA -0.145 4.175 4.320 0.001 0.000 0.270 634 K C -2.387 174.205 176.600 -0.013 0.000 0.955 634 K CA 0.205 56.478 56.287 -0.023 0.000 0.723 634 K CB -1.267 31.225 32.500 -0.014 0.000 1.382 634 K HN 0.241 nan 8.250 nan 0.000 0.461 635 P HA -0.062 nan 4.420 nan 0.000 0.271 635 P C 0.401 177.696 177.300 -0.008 0.000 1.244 635 P CA -0.092 63.001 63.100 -0.011 0.000 0.793 635 P CB 0.856 32.538 31.700 -0.030 0.000 0.984 636 K N -0.086 120.316 120.400 0.003 0.000 2.076 636 K HA 0.099 4.420 4.320 0.001 0.000 0.204 636 K C 0.824 177.407 176.600 -0.029 0.000 1.051 636 K CA 1.088 57.378 56.287 0.004 0.000 0.949 636 K CB -0.254 32.272 32.500 0.043 0.000 0.726 636 K HN 0.696 nan 8.250 nan 0.000 0.443 637 G N -0.355 108.409 108.800 -0.061 0.000 2.690 637 G HA2 0.501 4.461 3.960 0.001 0.000 0.293 637 G HA3 0.501 4.461 3.960 0.001 0.000 0.293 637 G C -1.879 172.963 174.900 -0.097 0.000 1.399 637 G CA -0.625 44.424 45.100 -0.086 0.000 0.890 637 G HN -0.034 nan 8.290 nan 0.000 0.485 638 V N 1.408 121.266 119.914 -0.093 0.000 2.525 638 V HA 0.428 4.549 4.120 0.001 0.000 0.299 638 V C -0.265 175.763 176.094 -0.109 0.000 1.034 638 V CA -0.568 61.676 62.300 -0.093 0.000 0.863 638 V CB 1.580 33.361 31.823 -0.071 0.000 0.999 638 V HN 0.662 nan 8.190 nan 0.000 0.423 639 I N 5.286 125.775 120.570 -0.135 0.000 2.315 639 I HA 0.278 4.449 4.170 0.001 0.000 0.291 639 I C 0.861 176.912 176.117 -0.110 0.000 1.006 639 I CA -0.265 60.931 61.300 -0.172 0.000 1.265 639 I CB 1.670 39.492 38.000 -0.297 0.000 1.387 639 I HN 0.602 nan 8.210 nan 0.000 0.475 640 V N 1.936 121.802 119.914 -0.080 0.000 3.477 640 V HA 0.159 4.279 4.120 0.001 0.000 0.297 640 V C 1.104 177.203 176.094 0.009 0.000 1.433 640 V CA 0.162 62.442 62.300 -0.034 0.000 1.052 640 V CB 0.122 31.924 31.823 -0.034 0.000 0.895 640 V HN 0.747 nan 8.190 nan 0.000 0.438 641 Q N -0.617 119.199 119.800 0.026 0.000 2.425 641 Q HA 0.273 4.613 4.340 0.001 0.000 0.204 641 Q C 1.206 177.438 176.000 0.387 0.000 0.933 641 Q CA 0.801 56.694 55.803 0.150 0.000 0.939 641 Q CB -0.052 28.771 28.738 0.142 0.000 1.044 641 Q HN 0.748 nan 8.270 nan 0.000 0.513 642 Y N -1.400 118.931 120.300 0.053 0.000 2.467 642 Y HA 0.402 4.952 4.550 0.001 0.000 0.250 642 Y C 1.626 177.610 175.900 0.139 0.000 1.155 642 Y CA -0.339 57.829 58.100 0.114 0.000 1.249 642 Y CB 0.480 38.996 38.460 0.092 0.000 1.146 642 Y HN 0.062 nan 8.280 nan 0.000 0.524 643 G N -0.715 108.194 108.800 0.181 0.000 3.502 643 G HA2 0.451 4.411 3.960 0.001 0.000 0.267 643 G HA3 0.451 4.411 3.960 0.001 0.000 0.267 643 G C 0.835 175.624 174.900 -0.185 0.000 1.090 643 G CA 0.312 45.453 45.100 0.068 0.000 0.795 643 G HN 0.528 nan 8.290 nan 0.000 0.535 644 G N 0.102 108.699 108.800 -0.339 0.000 2.615 644 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 644 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 644 G C 0.657 175.346 174.900 -0.352 0.000 1.339 644 G CA 0.237 44.891 45.100 -0.742 0.000 0.884 644 G HN 0.179 nan 8.290 nan 0.000 0.559 645 Q N -0.501 119.092 119.800 -0.343 0.000 2.124 645 Q HA -0.003 4.338 4.340 0.001 0.000 0.202 645 Q C 2.987 178.905 176.000 -0.137 0.000 0.977 645 Q CA 2.590 58.279 55.803 -0.191 0.000 0.850 645 Q CB -1.069 27.570 28.738 -0.165 0.000 0.901 645 Q HN 0.735 nan 8.270 nan 0.000 0.429 646 T N 1.485 115.952 114.554 -0.144 0.000 2.607 646 T HA -0.151 4.200 4.350 0.001 0.000 0.267 646 T C -1.091 173.567 174.700 -0.071 0.000 1.049 646 T CA 2.063 64.106 62.100 -0.095 0.000 1.162 646 T CB -1.205 67.611 68.868 -0.087 0.000 0.863 646 T HN 0.334 nan 8.240 nan 0.000 0.424 647 P HA 0.072 nan 4.420 nan 0.000 0.218 647 P C 1.708 178.982 177.300 -0.043 0.000 1.152 647 P CA 0.521 63.594 63.100 -0.046 0.000 0.826 647 P CB -0.214 31.467 31.700 -0.031 0.000 0.790 648 L N 0.449 121.640 121.223 -0.053 0.000 1.990 648 L HA -0.187 4.154 4.340 0.001 0.000 0.213 648 L C 2.335 179.180 176.870 -0.042 0.000 1.072 648 L CA 2.146 56.959 54.840 -0.045 0.000 0.755 648 L CB -1.010 41.013 42.059 -0.059 0.000 0.889 648 L HN -0.175 nan 8.230 nan 0.000 0.432 649 K N -0.959 119.412 120.400 -0.048 0.000 2.209 649 K HA -0.131 4.189 4.320 0.001 0.000 0.204 649 K C 1.949 178.530 176.600 -0.032 0.000 1.048 649 K CA 1.135 57.398 56.287 -0.041 0.000 0.940 649 K CB -0.197 32.276 32.500 -0.045 0.000 0.729 649 K HN 0.366 nan 8.250 nan 0.000 0.451 650 L N 0.038 121.242 121.223 -0.032 0.000 2.313 650 L HA -0.036 4.305 4.340 0.001 0.000 0.214 650 L C 2.439 179.295 176.870 -0.024 0.000 1.119 650 L CA 0.283 55.108 54.840 -0.026 0.000 0.809 650 L CB -0.569 41.475 42.059 -0.026 0.000 0.933 650 L HN 0.167 nan 8.230 nan 0.000 0.449 651 A N 0.918 123.723 122.820 -0.025 0.000 1.915 651 A HA -0.307 4.014 4.320 0.001 0.000 0.220 651 A C 2.412 179.985 177.584 -0.019 0.000 1.198 651 A CA 2.173 54.197 52.037 -0.023 0.000 0.647 651 A CB -0.526 18.461 19.000 -0.022 0.000 0.825 651 A HN 0.372 nan 8.150 nan 0.000 0.456 652 R N -1.199 119.291 120.500 -0.017 0.000 2.062 652 R HA 0.040 4.381 4.340 0.001 0.000 0.229 652 R C 2.558 178.851 176.300 -0.012 0.000 1.128 652 R CA 1.089 57.182 56.100 -0.013 0.000 0.960 652 R CB -0.447 29.846 30.300 -0.011 0.000 0.855 652 R HN 0.522 nan 8.270 nan 0.000 0.432 653 A N 1.085 123.898 122.820 -0.013 0.000 1.972 653 A HA -0.120 4.200 4.320 0.001 0.000 0.219 653 A C 2.116 179.694 177.584 -0.010 0.000 1.169 653 A CA 1.129 53.160 52.037 -0.010 0.000 0.635 653 A CB -0.447 18.548 19.000 -0.010 0.000 0.810 653 A HN 0.170 nan 8.150 nan 0.000 0.446 654 L N -1.048 120.167 121.223 -0.014 0.000 2.027 654 L HA -0.187 4.154 4.340 0.001 0.000 0.206 654 L C 2.646 179.507 176.870 -0.015 0.000 1.074 654 L CA 1.837 56.667 54.840 -0.016 0.000 0.745 654 L CB -0.486 41.559 42.059 -0.023 0.000 0.898 654 L HN 0.618 nan 8.230 nan 0.000 0.433 655 E N 0.534 120.725 120.200 -0.015 0.000 2.058 655 E HA -0.264 4.087 4.350 0.001 0.000 0.194 655 E C 2.136 178.730 176.600 -0.009 0.000 0.997 655 E CA 1.530 57.922 56.400 -0.013 0.000 0.801 655 E CB -0.085 29.609 29.700 -0.011 0.000 0.746 655 E HN 0.406 nan 8.360 nan 0.000 0.450 656 A N 0.763 123.579 122.820 -0.008 0.000 1.972 656 A HA 0.002 4.323 4.320 0.001 0.000 0.219 656 A C 2.260 179.841 177.584 -0.004 0.000 1.169 656 A CA 1.539 53.573 52.037 -0.005 0.000 0.635 656 A CB -0.643 18.354 19.000 -0.005 0.000 0.810 656 A HN 0.411 nan 8.150 nan 0.000 0.446 657 A N -1.808 121.009 122.820 -0.005 0.000 2.276 657 A HA 0.429 4.750 4.320 0.001 0.000 0.212 657 A C 1.678 179.259 177.584 -0.005 0.000 1.230 657 A CA 1.105 53.140 52.037 -0.003 0.000 0.844 657 A CB -1.027 17.971 19.000 -0.002 0.000 0.860 657 A HN 1.831 nan 8.150 nan 0.000 0.486 658 G N -1.732 107.064 108.800 -0.007 0.000 2.194 658 G HA2 -0.220 3.741 3.960 0.001 0.000 0.236 658 G HA3 -0.220 3.741 3.960 0.001 0.000 0.236 658 G C 0.247 175.139 174.900 -0.013 0.000 0.987 658 G CA 0.003 45.099 45.100 -0.008 0.000 0.635 658 G HN 0.784 nan 8.290 nan 0.000 0.520 659 V N 3.032 122.936 119.914 -0.016 0.000 2.529 659 V HA 0.314 4.434 4.120 0.001 0.000 0.292 659 V C -1.037 175.042 176.094 -0.025 0.000 1.028 659 V CA -0.310 61.976 62.300 -0.023 0.000 1.074 659 V CB 0.969 32.775 31.823 -0.029 0.000 0.958 659 V HN 0.268 nan 8.190 nan 0.000 0.481 660 P HA 0.116 nan 4.420 nan 0.000 0.249 660 P C -0.285 176.992 177.300 -0.039 0.000 1.737 660 P CA -0.018 63.065 63.100 -0.028 0.000 1.128 660 P CB -0.049 31.636 31.700 -0.027 0.000 1.942 661 V N 5.006 124.898 119.914 -0.036 0.000 2.521 661 V HA 0.063 4.184 4.120 0.001 0.000 0.286 661 V C 1.261 177.326 176.094 -0.048 0.000 1.034 661 V CA -0.153 62.120 62.300 -0.044 0.000 1.045 661 V CB 0.040 31.841 31.823 -0.036 0.000 0.974 661 V HN 0.356 nan 8.190 nan 0.000 0.480 662 I N 2.312 122.840 120.570 -0.069 0.000 2.924 662 I HA 1.013 5.184 4.170 0.001 0.000 0.316 662 I C 0.728 176.802 176.117 -0.071 0.000 1.014 662 I CA -0.068 61.189 61.300 -0.072 0.000 1.106 662 I CB 1.536 39.480 38.000 -0.093 0.000 1.311 662 I HN 0.872 nan 8.210 nan 0.000 0.502 663 G N 2.436 111.202 108.800 -0.056 0.000 2.593 663 G HA2 -0.206 3.755 3.960 0.001 0.000 0.237 663 G HA3 -0.206 3.755 3.960 0.001 0.000 0.237 663 G C -0.085 174.806 174.900 -0.015 0.000 1.312 663 G CA -0.220 44.858 45.100 -0.037 0.000 0.896 663 G HN 0.990 nan 8.290 nan 0.000 0.574 664 T N 1.207 115.761 114.554 -0.001 0.000 2.800 664 T HA 0.362 4.713 4.350 0.001 0.000 0.283 664 T C 1.300 176.001 174.700 0.001 0.000 0.999 664 T CA 1.082 63.187 62.100 0.008 0.000 1.176 664 T CB 0.233 69.110 68.868 0.015 0.000 0.973 664 T HN 1.835 nan 8.240 nan 0.000 0.519 665 S N 4.981 120.684 115.700 0.005 0.000 2.568 665 S HA 0.109 4.579 4.470 0.001 0.000 0.282 665 S C -1.314 173.286 174.600 0.000 0.000 1.338 665 S CA -1.221 56.980 58.200 0.002 0.000 1.045 665 S CB 0.727 63.932 63.200 0.009 0.000 0.873 665 S HN 0.317 nan 8.310 nan 0.000 0.516 666 P HA -0.153 nan 4.420 nan 0.000 0.214 666 P C 1.078 178.377 177.300 -0.002 0.000 1.169 666 P CA 1.806 64.902 63.100 -0.007 0.000 0.908 666 P CB -0.199 31.496 31.700 -0.009 0.000 0.791 667 D N -1.032 119.370 120.400 0.004 0.000 2.133 667 D HA -0.194 4.447 4.640 0.001 0.000 0.195 667 D C 1.858 178.169 176.300 0.018 0.000 0.997 667 D CA 1.651 55.657 54.000 0.011 0.000 0.840 667 D CB -0.590 40.219 40.800 0.015 0.000 0.947 667 D HN 0.022 nan 8.370 nan 0.000 0.452 668 A N -0.022 122.810 122.820 0.020 0.000 1.898 668 A HA -0.097 4.224 4.320 0.001 0.000 0.216 668 A C 2.363 179.955 177.584 0.014 0.000 1.181 668 A CA 1.117 53.171 52.037 0.028 0.000 0.620 668 A CB -0.734 18.284 19.000 0.030 0.000 0.819 668 A HN 0.381 nan 8.150 nan 0.000 0.442 669 I N -0.283 120.287 120.570 -0.000 0.000 2.163 669 I HA -0.270 3.901 4.170 0.001 0.000 0.243 669 I C 2.252 178.351 176.117 -0.031 0.000 1.085 669 I CA 2.037 63.326 61.300 -0.020 0.000 1.347 669 I CB -0.511 37.478 38.000 -0.019 0.000 1.044 669 I HN 0.356 nan 8.210 nan 0.000 0.408 670 D N 0.655 121.046 120.400 -0.015 0.000 2.218 670 D HA -0.169 4.472 4.640 0.001 0.000 0.204 670 D C 2.359 178.659 176.300 -0.000 0.000 0.976 670 D CA 0.969 54.960 54.000 -0.015 0.000 0.853 670 D CB 0.054 40.851 40.800 -0.006 0.000 0.939 670 D HN 0.053 nan 8.370 nan 0.000 0.481 671 R N -0.280 120.234 120.500 0.024 0.000 2.081 671 R HA -0.079 4.261 4.340 0.001 0.000 0.235 671 R C 2.097 178.451 176.300 0.090 0.000 1.131 671 R CA 1.251 57.396 56.100 0.075 0.000 0.960 671 R CB -0.271 30.089 30.300 0.100 0.000 0.856 671 R HN 0.232 nan 8.270 nan 0.000 0.436 672 A N 1.012 123.817 122.820 -0.026 0.000 1.872 672 A HA -0.108 4.213 4.320 0.001 0.000 0.214 672 A C 1.919 179.239 177.584 -0.439 0.000 1.187 672 A CA 0.961 52.825 52.037 -0.289 0.000 0.614 672 A CB -0.219 18.627 19.000 -0.257 0.000 0.826 672 A HN 0.214 nan 8.150 nan 0.000 0.442 673 E N 0.771 120.839 120.200 -0.219 0.000 2.051 673 E HA -0.151 4.199 4.350 0.001 0.000 0.192 673 E C 0.372 176.899 176.600 -0.122 0.000 0.991 673 E CA 0.704 56.998 56.400 -0.177 0.000 0.799 673 E CB -0.511 29.126 29.700 -0.105 0.000 0.748 673 E HN 0.650 nan 8.360 nan 0.000 0.449 674 D N 1.649 122.016 120.400 -0.055 0.000 2.363 674 D HA -0.061 4.580 4.640 0.001 0.000 0.263 674 D C 1.271 177.608 176.300 0.062 0.000 1.258 674 D CA -0.142 53.857 54.000 -0.001 0.000 0.907 674 D CB 0.607 41.412 40.800 0.009 0.000 1.107 674 D HN 0.006 nan 8.370 nan 0.000 0.495 675 R N 3.684 124.217 120.500 0.054 0.000 2.154 675 R HA -0.220 4.121 4.340 0.001 0.000 0.248 675 R C 1.464 177.833 176.300 0.114 0.000 1.155 675 R CA 1.084 57.254 56.100 0.117 0.000 0.979 675 R CB -0.476 29.861 30.300 0.062 0.000 0.869 675 R HN 0.572 nan 8.270 nan 0.000 0.452 676 E N 0.520 120.733 120.200 0.021 0.000 2.057 676 E HA 0.010 4.361 4.350 0.001 0.000 0.190 676 E C 2.237 178.710 176.600 -0.213 0.000 0.969 676 E CA -0.164 56.170 56.400 -0.111 0.000 0.812 676 E CB 0.165 29.781 29.700 -0.139 0.000 0.777 676 E HN 0.140 nan 8.360 nan 0.000 0.455 677 R N 0.093 120.545 120.500 -0.080 0.000 2.103 677 R HA -0.179 4.161 4.340 0.001 0.000 0.242 677 R C 2.291 178.667 176.300 0.126 0.000 1.142 677 R CA 1.310 57.406 56.100 -0.007 0.000 0.960 677 R CB -0.543 29.791 30.300 0.056 0.000 0.858 677 R HN 0.229 nan 8.270 nan 0.000 0.439 678 F N 1.850 121.792 119.950 -0.014 0.000 2.060 678 F HA -0.231 4.296 4.527 0.001 0.000 0.295 678 F C 2.696 178.536 175.800 0.067 0.000 1.120 678 F CA 1.964 59.978 58.000 0.023 0.000 1.205 678 F CB -0.926 38.074 39.000 0.001 0.000 0.986 678 F HN 0.060 nan 8.300 nan 0.000 0.470 679 Q N -0.741 119.007 119.800 -0.086 0.000 2.156 679 Q HA -0.340 4.001 4.340 0.001 0.000 0.211 679 Q C 2.048 178.035 176.000 -0.022 0.000 0.995 679 Q CA 2.377 58.109 55.803 -0.118 0.000 0.877 679 Q CB -0.544 28.230 28.738 0.061 0.000 0.920 679 Q HN 0.527 nan 8.270 nan 0.000 0.416 680 H N -0.557 118.430 119.070 -0.139 0.000 2.457 680 H HA -0.030 4.527 4.556 0.001 0.000 0.297 680 H C 1.740 177.000 175.328 -0.114 0.000 1.092 680 H CA 1.408 57.401 56.048 -0.091 0.000 1.309 680 H CB -0.250 29.495 29.762 -0.029 0.000 1.382 680 H HN 0.495 nan 8.280 nan 0.000 0.535 681 A N -0.125 122.658 122.820 -0.061 0.000 1.861 681 A HA -0.039 4.281 4.320 0.001 0.000 0.212 681 A C 2.619 180.095 177.584 -0.179 0.000 1.199 681 A CA 1.131 53.113 52.037 -0.092 0.000 0.613 681 A CB -0.661 18.309 19.000 -0.051 0.000 0.846 681 A HN 0.199 nan 8.150 nan 0.000 0.446 682 V N 0.720 120.404 119.914 -0.383 0.000 2.282 682 V HA -0.347 3.773 4.120 0.001 0.000 0.249 682 V C 2.368 178.364 176.094 -0.163 0.000 1.057 682 V CA 2.439 64.553 62.300 -0.311 0.000 1.032 682 V CB -1.182 30.388 31.823 -0.421 0.000 0.645 682 V HN 0.594 nan 8.190 nan 0.000 0.447 683 E N 0.155 120.265 120.200 -0.150 0.000 2.021 683 E HA -0.324 4.026 4.350 0.001 0.000 0.200 683 E C 2.371 178.913 176.600 -0.096 0.000 1.015 683 E CA 1.795 58.127 56.400 -0.113 0.000 0.824 683 E CB -0.314 29.302 29.700 -0.140 0.000 0.762 683 E HN 0.445 nan 8.360 nan 0.000 0.454 684 R N 1.097 121.537 120.500 -0.099 0.000 2.159 684 R HA -0.188 4.153 4.340 0.001 0.000 0.252 684 R C 2.102 178.375 176.300 -0.044 0.000 1.144 684 R CA 1.545 57.603 56.100 -0.069 0.000 0.961 684 R CB -0.491 29.779 30.300 -0.049 0.000 0.877 684 R HN 0.184 nan 8.270 nan 0.000 0.444 685 L N 0.161 121.360 121.223 -0.041 0.000 2.599 685 L HA 0.108 4.449 4.340 0.001 0.000 0.230 685 L C 0.062 176.918 176.870 -0.024 0.000 1.141 685 L CA 0.232 55.062 54.840 -0.017 0.000 0.877 685 L CB -0.132 41.926 42.059 -0.002 0.000 1.009 685 L HN 0.224 nan 8.230 nan 0.000 0.447 686 K N 0.984 121.359 120.400 -0.043 0.000 3.653 686 K HA -0.154 4.167 4.320 0.001 0.000 0.275 686 K C -0.769 175.807 176.600 -0.040 0.000 0.962 686 K CA 0.471 56.732 56.287 -0.044 0.000 0.773 686 K CB -1.411 31.067 32.500 -0.037 0.000 1.463 686 K HN 0.233 nan 8.250 nan 0.000 0.450 687 L N -0.163 121.032 121.223 -0.046 0.000 2.271 687 L HA 0.451 4.792 4.340 0.001 0.000 0.265 687 L C 0.389 177.227 176.870 -0.053 0.000 1.013 687 L CA -1.188 53.630 54.840 -0.036 0.000 0.820 687 L CB 1.543 43.601 42.059 -0.002 0.000 1.352 687 L HN 0.063 nan 8.230 nan 0.000 0.443 688 K N 1.817 122.179 120.400 -0.064 0.000 2.267 688 K HA 0.266 4.586 4.320 0.001 0.000 0.282 688 K C -0.913 175.690 176.600 0.006 0.000 1.078 688 K CA -0.186 56.037 56.287 -0.106 0.000 0.903 688 K CB 0.931 33.239 32.500 -0.320 0.000 1.111 688 K HN 0.431 nan 8.250 nan 0.000 0.475 689 Q N 3.921 123.758 119.800 0.061 0.000 2.345 689 Q HA 0.420 4.760 4.340 0.001 0.000 0.268 689 Q C -2.383 173.743 176.000 0.209 0.000 1.054 689 Q CA -2.252 53.630 55.803 0.131 0.000 0.835 689 Q CB 1.779 30.542 28.738 0.042 0.000 1.339 689 Q HN 0.366 nan 8.270 nan 0.000 0.447 690 P HA 0.091 nan 4.420 nan 0.000 0.271 690 P C -1.308 176.069 177.300 0.127 0.000 1.218 690 P CA -0.143 63.068 63.100 0.185 0.000 0.780 690 P CB 0.576 32.329 31.700 0.088 0.000 0.901 691 A N 3.320 126.213 122.820 0.122 0.000 2.573 691 A HA 0.121 4.442 4.320 0.001 0.000 0.250 691 A C 0.534 178.158 177.584 0.066 0.000 1.049 691 A CA 0.420 52.502 52.037 0.074 0.000 0.767 691 A CB -1.282 17.742 19.000 0.040 0.000 0.965 691 A HN 0.770 nan 8.150 nan 0.000 0.514 692 N N 0.587 119.315 118.700 0.046 0.000 2.455 692 N HA 0.843 5.584 4.740 0.001 0.000 0.278 692 N C -0.839 174.687 175.510 0.027 0.000 1.291 692 N CA -0.283 52.789 53.050 0.038 0.000 0.780 692 N CB 2.031 40.546 38.487 0.047 0.000 1.520 692 N HN 0.893 nan 8.380 nan 0.000 0.486 693 A N -0.270 122.564 122.820 0.025 0.000 2.604 693 A HA 0.691 5.011 4.320 0.001 0.000 0.295 693 A C -1.435 176.168 177.584 0.032 0.000 1.067 693 A CA -0.782 51.269 52.037 0.025 0.000 0.683 693 A CB 1.477 20.488 19.000 0.018 0.000 1.281 693 A HN 0.611 nan 8.150 nan 0.000 0.407 694 T N 1.664 116.238 114.554 0.032 0.000 3.053 694 T HA 0.496 4.846 4.350 0.001 0.000 0.363 694 T C -0.215 174.511 174.700 0.043 0.000 1.239 694 T CA -0.229 61.893 62.100 0.037 0.000 1.071 694 T CB 0.357 69.241 68.868 0.027 0.000 1.089 694 T HN 0.532 nan 8.240 nan 0.000 0.527 695 V N 2.859 122.811 119.914 0.064 0.000 2.997 695 V HA 0.432 4.552 4.120 0.001 0.000 0.311 695 V C 1.163 177.300 176.094 0.071 0.000 1.066 695 V CA -0.305 62.033 62.300 0.065 0.000 1.039 695 V CB 1.807 33.685 31.823 0.092 0.000 1.081 695 V HN 0.944 nan 8.190 nan 0.000 0.467 696 T N -0.123 114.456 114.554 0.041 0.000 3.057 696 T HA 0.423 4.773 4.350 0.001 0.000 0.254 696 T C 0.334 175.042 174.700 0.014 0.000 0.965 696 T CA 0.587 62.710 62.100 0.038 0.000 0.978 696 T CB 0.522 69.401 68.868 0.020 0.000 1.169 696 T HN 0.789 nan 8.240 nan 0.000 0.489 697 A N 0.607 123.403 122.820 -0.041 0.000 2.330 697 A HA 0.732 5.053 4.320 0.001 0.000 0.329 697 A C 0.816 178.239 177.584 -0.268 0.000 1.135 697 A CA -0.641 51.328 52.037 -0.114 0.000 0.817 697 A CB 0.550 19.500 19.000 -0.084 0.000 1.269 697 A HN 0.078 nan 8.150 nan 0.000 0.469 698 I N 0.886 121.208 120.570 -0.414 0.000 2.052 698 I HA -0.228 3.943 4.170 0.001 0.000 0.235 698 I C 2.220 178.092 176.117 -0.409 0.000 1.046 698 I CA 1.785 62.654 61.300 -0.718 0.000 1.308 698 I CB -0.653 37.037 38.000 -0.516 0.000 1.031 698 I HN 0.704 nan 8.210 nan 0.000 0.395 699 E N 0.029 120.099 120.200 -0.216 0.000 2.187 699 E HA -0.292 4.058 4.350 0.001 0.000 0.199 699 E C 2.179 178.732 176.600 -0.079 0.000 1.004 699 E CA 1.408 57.742 56.400 -0.110 0.000 0.813 699 E CB -0.609 29.049 29.700 -0.071 0.000 0.736 699 E HN 0.562 nan 8.360 nan 0.000 0.468 700 M N 0.156 119.700 119.600 -0.093 0.000 2.086 700 M HA -0.165 4.316 4.480 0.001 0.000 0.261 700 M C 2.177 178.458 176.300 -0.032 0.000 1.067 700 M CA 1.936 57.205 55.300 -0.052 0.000 1.116 700 M CB -0.066 32.502 32.600 -0.053 0.000 1.348 700 M HN 0.114 nan 8.290 nan 0.000 0.407 701 A N -0.679 122.105 122.820 -0.059 0.000 1.969 701 A HA -0.079 4.242 4.320 0.001 0.000 0.218 701 A C 1.942 179.558 177.584 0.055 0.000 1.169 701 A CA 1.551 53.602 52.037 0.023 0.000 0.635 701 A CB -0.926 18.125 19.000 0.086 0.000 0.810 701 A HN 0.437 nan 8.150 nan 0.000 0.445 702 V N 0.190 120.120 119.914 0.027 0.000 2.427 702 V HA -0.223 3.898 4.120 0.001 0.000 0.248 702 V C 2.520 178.665 176.094 0.085 0.000 1.051 702 V CA 2.279 64.636 62.300 0.094 0.000 1.048 702 V CB -0.802 31.062 31.823 0.068 0.000 0.666 702 V HN 0.708 nan 8.190 nan 0.000 0.456 703 E N 1.286 121.510 120.200 0.039 0.000 2.007 703 E HA -0.229 4.122 4.350 0.001 0.000 0.194 703 E C 2.114 178.731 176.600 0.029 0.000 0.999 703 E CA 1.610 58.029 56.400 0.033 0.000 0.811 703 E CB -0.382 29.326 29.700 0.013 0.000 0.762 703 E HN 0.294 nan 8.360 nan 0.000 0.450 704 K N 0.389 120.798 120.400 0.016 0.000 2.103 704 K HA -0.003 4.318 4.320 0.001 0.000 0.207 704 K C 1.916 178.504 176.600 -0.020 0.000 1.048 704 K CA 1.387 57.677 56.287 0.004 0.000 0.930 704 K CB -0.949 31.556 32.500 0.008 0.000 0.716 704 K HN 0.268 nan 8.250 nan 0.000 0.444 705 A N 0.642 123.444 122.820 -0.030 0.000 1.892 705 A HA -0.286 4.035 4.320 0.001 0.000 0.218 705 A C 2.072 179.579 177.584 -0.129 0.000 1.188 705 A CA 2.288 54.226 52.037 -0.164 0.000 0.631 705 A CB -0.554 18.388 19.000 -0.097 0.000 0.822 705 A HN 0.266 nan 8.150 nan 0.000 0.447 706 K N -0.348 120.077 120.400 0.042 0.000 2.044 706 K HA -0.197 4.124 4.320 0.001 0.000 0.210 706 K C 2.005 178.625 176.600 0.034 0.000 1.049 706 K CA 2.036 58.381 56.287 0.097 0.000 0.927 706 K CB -0.227 32.330 32.500 0.094 0.000 0.713 706 K HN 0.685 nan 8.250 nan 0.000 0.443 707 E N 0.012 120.215 120.200 0.004 0.000 2.007 707 E HA -0.174 4.177 4.350 0.001 0.000 0.194 707 E C 1.971 178.550 176.600 -0.035 0.000 0.999 707 E CA 1.640 58.035 56.400 -0.009 0.000 0.811 707 E CB -0.126 29.570 29.700 -0.007 0.000 0.762 707 E HN 0.184 nan 8.360 nan 0.000 0.450 708 I N -0.009 120.529 120.570 -0.052 0.000 2.068 708 I HA -0.222 3.948 4.170 0.001 0.000 0.238 708 I C 1.029 177.084 176.117 -0.104 0.000 1.046 708 I CA 1.376 62.636 61.300 -0.066 0.000 1.306 708 I CB -0.509 37.454 38.000 -0.061 0.000 1.023 708 I HN 0.363 nan 8.210 nan 0.000 0.399 709 G N -0.727 108.008 108.800 -0.109 0.000 3.233 709 G HA2 -0.146 3.815 3.960 0.001 0.000 0.686 709 G HA3 -0.146 3.815 3.960 0.001 0.000 0.686 709 G C -0.812 174.151 174.900 0.104 0.000 1.153 709 G CA -0.970 44.115 45.100 -0.025 0.000 0.853 709 G HN 0.097 nan 8.290 nan 0.000 0.582 710 Y N 2.081 122.489 120.300 0.180 0.000 2.314 710 Y HA 0.503 5.054 4.550 0.001 0.000 0.334 710 Y C -0.962 175.094 175.900 0.260 0.000 1.266 710 Y CA -1.102 57.106 58.100 0.179 0.000 1.391 710 Y CB 0.454 38.990 38.460 0.127 0.000 1.306 710 Y HN 0.522 nan 8.280 nan 0.000 0.558 711 P HA 0.336 nan 4.420 nan 0.000 0.278 711 P C -1.300 175.982 177.300 -0.030 0.000 1.266 711 P CA -0.392 62.793 63.100 0.142 0.000 0.807 711 P CB 1.021 32.628 31.700 -0.156 0.000 1.094 712 L N -0.059 121.071 121.223 -0.155 0.000 2.323 712 L HA 0.461 4.801 4.340 0.001 0.000 0.265 712 L C -0.619 176.097 176.870 -0.256 0.000 1.012 712 L CA -0.771 53.955 54.840 -0.191 0.000 0.820 712 L CB 2.108 44.022 42.059 -0.243 0.000 1.334 712 L HN 0.049 nan 8.230 nan 0.000 0.427 713 V N 2.384 122.191 119.914 -0.178 0.000 2.334 713 V HA 0.374 4.494 4.120 0.001 0.000 0.281 713 V C -0.487 175.496 176.094 -0.185 0.000 1.016 713 V CA -0.765 61.421 62.300 -0.190 0.000 0.832 713 V CB 1.440 33.217 31.823 -0.076 0.000 0.999 713 V HN 0.399 nan 8.190 nan 0.000 0.439 714 V N 5.702 125.445 119.914 -0.285 0.000 2.288 714 V HA 0.410 4.530 4.120 0.001 0.000 0.266 714 V C 0.462 176.439 176.094 -0.195 0.000 1.048 714 V CA -0.564 61.561 62.300 -0.291 0.000 0.842 714 V CB 0.239 31.711 31.823 -0.585 0.000 1.064 714 V HN 0.755 nan 8.190 nan 0.000 0.472 715 R N 4.960 125.408 120.500 -0.087 0.000 2.207 715 R HA 0.483 4.824 4.340 0.001 0.000 0.334 715 R C -1.955 174.348 176.300 0.005 0.000 1.013 715 R CA -1.017 55.064 56.100 -0.033 0.000 0.858 715 R CB 1.695 31.984 30.300 -0.018 0.000 1.094 715 R HN 0.577 nan 8.270 nan 0.000 0.457 716 P HA 0.174 nan 4.420 nan 0.000 0.274 716 P C -0.176 177.138 177.300 0.023 0.000 1.260 716 P CA 0.132 63.254 63.100 0.037 0.000 0.793 716 P CB 0.586 32.306 31.700 0.034 0.000 1.048 725 M N 1.172 120.761 119.600 -0.018 0.000 2.705 725 M HA 0.741 5.221 4.480 0.001 0.000 0.311 725 M C -0.144 176.093 176.300 -0.105 0.000 1.214 725 M CA -0.375 54.891 55.300 -0.058 0.000 0.920 725 M CB 2.200 34.769 32.600 -0.052 0.000 1.687 725 M HN 0.935 nan 8.290 nan 0.000 0.481 726 E N 1.113 121.180 120.200 -0.221 0.000 2.423 726 E HA 0.565 4.916 4.350 0.001 0.000 0.280 726 E C -2.013 174.352 176.600 -0.392 0.000 1.030 726 E CA -0.627 55.597 56.400 -0.293 0.000 0.812 726 E CB 1.950 31.481 29.700 -0.281 0.000 1.313 726 E HN 0.627 nan 8.360 nan 0.000 0.456 727 I N 2.867 123.198 120.570 -0.399 0.000 2.436 727 I HA 0.427 4.598 4.170 0.001 0.000 0.289 727 I C -0.787 175.027 176.117 -0.504 0.000 1.010 727 I CA -1.186 59.782 61.300 -0.553 0.000 1.098 727 I CB 1.718 39.241 38.000 -0.796 0.000 1.266 727 I HN 0.305 nan 8.210 nan 0.000 0.434 728 V N 5.028 124.663 119.914 -0.465 0.000 2.581 728 V HA 0.327 4.448 4.120 0.001 0.000 0.303 728 V C -0.497 175.477 176.094 -0.199 0.000 1.041 728 V CA -0.498 61.679 62.300 -0.206 0.000 0.907 728 V CB 1.484 33.272 31.823 -0.057 0.000 0.994 728 V HN 0.611 nan 8.190 nan 0.000 0.442 729 Y N 0.864 121.235 120.300 0.117 0.000 2.430 729 Y HA 0.341 4.892 4.550 0.001 0.000 0.248 729 Y C 0.430 176.266 175.900 -0.106 0.000 1.108 729 Y CA -0.887 57.293 58.100 0.135 0.000 1.264 729 Y CB 0.420 38.903 38.460 0.038 0.000 1.172 729 Y HN 0.893 nan 8.280 nan 0.000 0.520 730 D N -2.139 118.182 120.400 -0.133 0.000 2.599 730 D HA 0.122 4.763 4.640 0.001 0.000 0.252 730 D C 0.579 176.584 176.300 -0.491 0.000 1.232 730 D CA -0.786 52.817 54.000 -0.663 0.000 0.819 730 D CB 0.639 41.253 40.800 -0.309 0.000 1.401 730 D HN -0.069 nan 8.370 nan 0.000 0.429 731 E N 0.103 119.986 120.200 -0.529 0.000 2.048 731 E HA -0.320 4.031 4.350 0.001 0.000 0.202 731 E C 1.932 178.560 176.600 0.046 0.000 1.021 731 E CA 1.979 58.337 56.400 -0.070 0.000 0.825 731 E CB -0.266 29.414 29.700 -0.035 0.000 0.756 731 E HN 0.541 nan 8.360 nan 0.000 0.454 732 A N 1.208 124.025 122.820 -0.006 0.000 1.859 732 A HA -0.290 4.030 4.320 0.001 0.000 0.217 732 A C 1.905 179.541 177.584 0.085 0.000 1.198 732 A CA 2.295 54.355 52.037 0.037 0.000 0.629 732 A CB -1.006 17.998 19.000 0.006 0.000 0.830 732 A HN 0.327 nan 8.150 nan 0.000 0.446 733 D N -0.495 119.949 120.400 0.073 0.000 2.133 733 D HA -0.183 4.458 4.640 0.001 0.000 0.192 733 D C 1.837 178.251 176.300 0.189 0.000 1.001 733 D CA 1.216 55.290 54.000 0.124 0.000 0.844 733 D CB -0.251 40.635 40.800 0.143 0.000 0.944 733 D HN 0.368 nan 8.370 nan 0.000 0.447 734 L N 0.521 121.890 121.223 0.245 0.000 1.971 734 L HA -0.266 4.074 4.340 0.001 0.000 0.215 734 L C 2.465 179.627 176.870 0.486 0.000 1.072 734 L CA 1.729 56.788 54.840 0.365 0.000 0.758 734 L CB -0.263 42.067 42.059 0.451 0.000 0.889 734 L HN 0.176 nan 8.230 nan 0.000 0.433 735 R N -0.748 119.968 120.500 0.361 0.000 2.082 735 R HA -0.235 4.106 4.340 0.001 0.000 0.234 735 R C 2.270 178.748 176.300 0.295 0.000 1.136 735 R CA 1.257 57.557 56.100 0.334 0.000 0.935 735 R CB -0.895 29.508 30.300 0.172 0.000 0.842 735 R HN 0.350 nan 8.270 nan 0.000 0.430 736 R N 0.461 121.081 120.500 0.200 0.000 2.189 736 R HA -0.305 4.036 4.340 0.001 0.000 0.252 736 R C 2.227 178.621 176.300 0.156 0.000 1.134 736 R CA 2.475 58.663 56.100 0.146 0.000 0.954 736 R CB -0.673 29.701 30.300 0.124 0.000 0.890 736 R HN 0.408 nan 8.270 nan 0.000 0.443 737 Y N -0.081 120.237 120.300 0.029 0.000 2.060 737 Y HA -0.286 4.265 4.550 0.001 0.000 0.276 737 Y C 2.107 177.957 175.900 -0.082 0.000 1.127 737 Y CA 2.122 60.176 58.100 -0.077 0.000 1.104 737 Y CB -0.786 37.554 38.460 -0.200 0.000 0.983 737 Y HN 0.022 nan 8.280 nan 0.000 0.483 738 F N 1.343 121.328 119.950 0.059 0.000 2.118 738 F HA -0.436 4.091 4.527 0.001 0.000 0.297 738 F C 2.599 178.312 175.800 -0.145 0.000 1.061 738 F CA 2.256 60.214 58.000 -0.070 0.000 1.268 738 F CB -1.098 37.937 39.000 0.059 0.000 1.019 738 F HN 0.320 nan 8.300 nan 0.000 0.492 739 Q N 0.057 119.904 119.800 0.078 0.000 1.806 739 Q HA -0.263 4.077 4.340 0.001 0.000 0.277 739 Q C 2.451 178.404 176.000 -0.079 0.000 0.993 739 Q CA 3.172 58.985 55.803 0.018 0.000 0.888 739 Q CB -0.586 28.165 28.738 0.021 0.000 0.941 739 Q HN 0.473 nan 8.270 nan 0.000 0.420 740 T N -0.606 113.876 114.554 -0.119 0.000 2.714 740 T HA -0.200 4.151 4.350 0.001 0.000 0.268 740 T C 0.979 175.526 174.700 -0.254 0.000 1.036 740 T CA 0.902 62.909 62.100 -0.156 0.000 1.148 740 T CB -0.981 67.813 68.868 -0.124 0.000 0.856 740 T HN 0.542 nan 8.240 nan 0.000 0.462 751 L N 4.910 126.162 121.223 0.048 0.000 2.397 751 L HA 0.535 4.875 4.340 0.001 0.000 0.271 751 L C -0.619 176.260 176.870 0.015 0.000 1.148 751 L CA -0.035 54.824 54.840 0.031 0.000 0.825 751 L CB 0.936 43.008 42.059 0.020 0.000 1.117 751 L HN 0.443 nan 8.230 nan 0.000 0.456 752 L N 3.170 124.402 121.223 0.016 0.000 2.362 752 L HA 0.519 4.860 4.340 0.001 0.000 0.275 752 L C -0.962 175.903 176.870 -0.008 0.000 0.998 752 L CA -0.237 54.598 54.840 -0.009 0.000 0.820 752 L CB 1.702 43.762 42.059 0.002 0.000 1.270 752 L HN 0.514 nan 8.230 nan 0.000 0.415 753 D N -0.574 119.811 120.400 -0.026 0.000 2.857 753 D HA 0.280 4.920 4.640 0.001 0.000 0.227 753 D C -1.102 175.205 176.300 0.012 0.000 1.192 753 D CA -0.514 53.491 54.000 0.007 0.000 0.857 753 D CB 1.389 42.197 40.800 0.015 0.000 1.645 753 D HN 0.454 nan 8.370 nan 0.000 0.482 754 H N 1.470 120.518 119.070 -0.038 0.000 2.899 754 H HA 0.222 4.778 4.556 0.001 0.000 0.303 754 H C -0.973 174.346 175.328 -0.016 0.000 1.042 754 H CA -0.211 55.811 56.048 -0.045 0.000 1.479 754 H CB 0.177 29.904 29.762 -0.058 0.000 1.493 754 H HN 0.226 nan 8.280 nan 0.000 0.534 755 F N 6.661 126.139 119.950 -0.786 0.000 2.444 755 F HA 0.202 4.729 4.527 0.001 0.000 0.360 755 F C -0.706 174.667 175.800 -0.711 0.000 1.106 755 F CA -0.855 56.785 58.000 -0.601 0.000 1.170 755 F CB 0.182 38.926 39.000 -0.427 0.000 1.113 755 F HN 0.555 nan 8.300 nan 0.000 0.521 756 L N 6.501 127.029 121.223 -1.160 0.000 2.404 756 L HA 0.130 4.470 4.340 0.001 0.000 0.277 756 L C 0.390 176.568 176.870 -1.152 0.000 1.184 756 L CA -0.370 53.890 54.840 -0.967 0.000 1.013 756 L CB -0.647 40.990 42.059 -0.703 0.000 1.318 756 L HN 0.530 nan 8.230 nan 0.000 0.435 757 D N 2.904 122.790 120.400 -0.857 0.000 2.390 757 D HA -0.092 4.548 4.640 0.001 0.000 0.236 757 D C 0.624 176.787 176.300 -0.229 0.000 1.189 757 D CA 0.307 54.062 54.000 -0.408 0.000 0.887 757 D CB 0.668 41.437 40.800 -0.052 0.000 1.198 757 D HN 0.493 nan 8.370 nan 0.000 0.444 758 D N -0.423 119.928 120.400 -0.082 0.000 2.702 758 D HA -0.206 4.435 4.640 0.001 0.000 0.233 758 D C -0.388 175.864 176.300 -0.078 0.000 1.164 758 D CA 0.903 54.879 54.000 -0.040 0.000 0.638 758 D CB -1.174 39.621 40.800 -0.008 0.000 1.041 758 D HN 0.385 nan 8.370 nan 0.000 0.422 759 A N -0.518 122.226 122.820 -0.126 0.000 2.299 759 A HA 0.679 5.000 4.320 0.001 0.000 0.332 759 A C 0.103 177.650 177.584 -0.061 0.000 1.131 759 A CA -0.574 51.392 52.037 -0.119 0.000 0.844 759 A CB 1.819 20.693 19.000 -0.210 0.000 1.251 759 A HN 0.048 nan 8.150 nan 0.000 0.486 760 V N 1.397 121.281 119.914 -0.050 0.000 2.398 760 V HA 0.309 4.430 4.120 0.001 0.000 0.286 760 V C 0.187 176.250 176.094 -0.053 0.000 1.026 760 V CA -0.407 61.874 62.300 -0.031 0.000 0.868 760 V CB 1.218 33.016 31.823 -0.043 0.000 0.982 760 V HN 0.979 nan 8.190 nan 0.000 0.443 761 E N 3.542 123.685 120.200 -0.096 0.000 2.249 761 E HA 0.627 4.978 4.350 0.001 0.000 0.280 761 E C -1.465 174.839 176.600 -0.493 0.000 1.016 761 E CA -0.356 55.871 56.400 -0.289 0.000 0.830 761 E CB 1.727 31.226 29.700 -0.336 0.000 1.081 761 E HN 0.483 nan 8.360 nan 0.000 0.395 762 V N 4.116 123.834 119.914 -0.326 0.000 2.789 762 V HA 0.286 4.407 4.120 0.001 0.000 0.311 762 V C -0.685 175.424 176.094 0.026 0.000 1.073 762 V CA -0.918 61.314 62.300 -0.113 0.000 0.921 762 V CB 2.156 34.022 31.823 0.070 0.000 1.009 762 V HN 0.749 nan 8.190 nan 0.000 0.426 763 D N 2.001 122.489 120.400 0.147 0.000 2.256 763 D HA 0.628 5.268 4.640 0.001 0.000 0.246 763 D C -1.306 175.118 176.300 0.207 0.000 1.042 763 D CA -0.096 54.023 54.000 0.200 0.000 0.841 763 D CB 2.596 43.561 40.800 0.274 0.000 1.223 763 D HN 0.279 nan 8.370 nan 0.000 0.470 764 V N 3.389 123.418 119.914 0.191 0.000 2.483 764 V HA 0.229 4.349 4.120 0.001 0.000 0.297 764 V C -0.432 175.735 176.094 0.123 0.000 1.027 764 V CA -0.880 61.531 62.300 0.184 0.000 0.855 764 V CB 2.119 34.105 31.823 0.272 0.000 0.995 764 V HN 0.425 nan 8.190 nan 0.000 0.424 765 D N 3.502 123.964 120.400 0.105 0.000 2.168 765 D HA 0.837 5.478 4.640 0.001 0.000 0.246 765 D C -0.112 176.223 176.300 0.059 0.000 1.050 765 D CA 0.134 54.178 54.000 0.073 0.000 0.857 765 D CB 2.423 43.263 40.800 0.066 0.000 1.169 765 D HN 0.796 nan 8.370 nan 0.000 0.453 766 A N 1.908 124.753 122.820 0.042 0.000 2.609 766 A HA 0.738 5.059 4.320 0.001 0.000 0.291 766 A C -1.339 176.255 177.584 0.016 0.000 1.096 766 A CA -0.635 51.418 52.037 0.026 0.000 0.684 766 A CB 1.162 20.173 19.000 0.017 0.000 1.282 766 A HN 0.479 nan 8.150 nan 0.000 0.412 767 I N 0.237 120.811 120.570 0.006 0.000 2.465 767 I HA 0.517 4.688 4.170 0.001 0.000 0.291 767 I C -0.647 175.451 176.117 -0.031 0.000 1.014 767 I CA -0.548 60.757 61.300 0.007 0.000 1.093 767 I CB 1.858 39.877 38.000 0.031 0.000 1.267 767 I HN 0.653 nan 8.210 nan 0.000 0.431 768 C N 5.112 124.385 119.300 -0.045 0.000 2.408 768 C HA 0.496 4.956 4.460 0.001 0.000 0.321 768 C C 0.317 175.295 174.990 -0.020 0.000 1.245 768 C CA -0.429 58.533 59.018 -0.094 0.000 1.523 768 C CB 0.828 28.438 27.740 -0.217 0.000 2.178 768 C HN 0.937 nan 8.230 nan 0.000 0.488 769 D N 1.853 122.265 120.400 0.020 0.000 2.440 769 D HA 0.243 4.883 4.640 0.001 0.000 0.216 769 D C 1.369 177.726 176.300 0.095 0.000 1.150 769 D CA 0.537 54.569 54.000 0.054 0.000 0.832 769 D CB -0.144 40.690 40.800 0.056 0.000 0.992 769 D HN 1.336 nan 8.370 nan 0.000 0.502 770 G N 0.414 109.297 108.800 0.138 0.000 2.168 770 G HA2 -0.390 3.571 3.960 0.001 0.000 0.263 770 G HA3 -0.390 3.571 3.960 0.001 0.000 0.263 770 G C 0.778 175.871 174.900 0.322 0.000 0.977 770 G CA 0.686 45.943 45.100 0.262 0.000 0.659 770 G HN 0.476 nan 8.290 nan 0.000 0.533 771 E N -1.206 119.163 120.200 0.281 0.000 2.399 771 E HA 0.424 4.774 4.350 0.001 0.000 0.206 771 E C 1.195 177.960 176.600 0.276 0.000 0.812 771 E CA 0.640 57.161 56.400 0.201 0.000 1.138 771 E CB 0.238 30.006 29.700 0.115 0.000 1.140 771 E HN 0.761 nan 8.360 nan 0.000 0.536 772 M N -1.041 118.736 119.600 0.295 0.000 2.721 772 M HA 0.474 4.955 4.480 0.001 0.000 0.271 772 M C -1.840 174.523 176.300 0.106 0.000 1.259 772 M CA -0.892 54.572 55.300 0.274 0.000 0.835 772 M CB 2.469 35.160 32.600 0.152 0.000 1.689 772 M HN -0.306 nan 8.290 nan 0.000 0.470 773 V N 2.624 122.570 119.914 0.052 0.000 2.407 773 V HA 0.516 4.637 4.120 0.001 0.000 0.291 773 V C -1.046 175.044 176.094 -0.007 0.000 1.018 773 V CA -0.607 61.649 62.300 -0.073 0.000 0.842 773 V CB 1.380 33.091 31.823 -0.187 0.000 0.996 773 V HN 0.756 nan 8.190 nan 0.000 0.426 774 L N 6.566 127.785 121.223 -0.008 0.000 2.265 774 L HA 0.563 4.904 4.340 0.001 0.000 0.289 774 L C -0.212 176.663 176.870 0.010 0.000 1.033 774 L CA -0.009 54.837 54.840 0.009 0.000 0.814 774 L CB 0.796 42.864 42.059 0.015 0.000 1.203 774 L HN 0.433 nan 8.230 nan 0.000 0.423 775 I N 6.034 126.613 120.570 0.015 0.000 2.494 775 I HA 0.106 4.276 4.170 0.001 0.000 0.289 775 I C 1.473 177.603 176.117 0.022 0.000 1.106 775 I CA 0.468 61.782 61.300 0.023 0.000 1.369 775 I CB 0.305 38.320 38.000 0.025 0.000 1.410 775 I HN 0.875 nan 8.210 nan 0.000 0.523 776 G N 5.532 114.350 108.800 0.030 0.000 2.394 776 G HA2 0.217 4.178 3.960 0.001 0.000 0.214 776 G HA3 0.217 4.178 3.960 0.001 0.000 0.214 776 G C 0.667 175.586 174.900 0.032 0.000 1.176 776 G CA 0.682 45.799 45.100 0.028 0.000 0.786 776 G HN 0.791 nan 8.290 nan 0.000 0.533 777 G N -1.028 107.805 108.800 0.056 0.000 2.633 777 G HA2 0.441 4.401 3.960 0.001 0.000 0.299 777 G HA3 0.441 4.401 3.960 0.001 0.000 0.299 777 G C -1.525 173.440 174.900 0.109 0.000 1.501 777 G CA -0.853 44.290 45.100 0.072 0.000 0.887 777 G HN 0.150 nan 8.290 nan 0.000 0.561 778 I N 2.041 122.678 120.570 0.111 0.000 2.330 778 I HA 0.345 4.515 4.170 0.001 0.000 0.286 778 I C -0.077 176.149 176.117 0.182 0.000 1.025 778 I CA -0.364 61.015 61.300 0.131 0.000 1.197 778 I CB 1.385 39.435 38.000 0.083 0.000 1.358 778 I HN 0.261 nan 8.210 nan 0.000 0.467 779 M N 5.825 125.561 119.600 0.226 0.000 2.268 779 M HA 0.372 4.853 4.480 0.001 0.000 0.344 779 M C -0.212 176.268 176.300 0.300 0.000 1.106 779 M CA -0.351 55.124 55.300 0.292 0.000 1.010 779 M CB 1.794 34.593 32.600 0.332 0.000 1.649 779 M HN 0.392 nan 8.290 nan 0.000 0.443 780 E N 3.050 123.448 120.200 0.331 0.000 2.109 780 E HA 0.218 4.568 4.350 0.001 0.000 0.278 780 E C -1.011 175.862 176.600 0.456 0.000 0.954 780 E CA -0.473 56.124 56.400 0.329 0.000 0.779 780 E CB 0.769 30.637 29.700 0.280 0.000 1.093 780 E HN 0.682 nan 8.360 nan 0.000 0.401 781 H N 3.880 123.074 119.070 0.207 0.000 2.732 781 H HA 0.015 4.572 4.556 0.001 0.000 0.351 781 H C 0.780 176.262 175.328 0.257 0.000 1.090 781 H CA -0.626 55.538 56.048 0.192 0.000 1.431 781 H CB 1.255 31.100 29.762 0.137 0.000 1.447 781 H HN 0.582 nan 8.280 nan 0.000 0.582 782 I N 1.803 122.588 120.570 0.358 0.000 2.235 782 I HA -0.122 4.048 4.170 0.001 0.000 0.241 782 I C 0.661 176.946 176.117 0.281 0.000 1.085 782 I CA 1.032 62.539 61.300 0.346 0.000 1.378 782 I CB -0.108 38.076 38.000 0.308 0.000 1.076 782 I HN 0.607 nan 8.210 nan 0.000 0.415 783 E N 2.029 122.374 120.200 0.242 0.000 2.392 783 E HA 0.054 4.405 4.350 0.001 0.000 0.264 783 E C 0.158 176.898 176.600 0.233 0.000 1.024 783 E CA -0.237 56.291 56.400 0.213 0.000 0.903 783 E CB 0.175 29.981 29.700 0.178 0.000 0.963 783 E HN 0.172 nan 8.360 nan 0.000 0.432 784 Q N 1.448 121.361 119.800 0.187 0.000 2.443 784 Q HA 0.291 4.632 4.340 0.001 0.000 0.232 784 Q C -0.354 175.744 176.000 0.163 0.000 1.026 784 Q CA -0.583 55.309 55.803 0.150 0.000 0.924 784 Q CB 0.595 29.404 28.738 0.118 0.000 1.256 784 Q HN 0.512 nan 8.270 nan 0.000 0.519 785 A N 0.283 123.157 122.820 0.090 0.000 2.584 785 A HA 0.374 4.695 4.320 0.001 0.000 0.239 785 A C 1.171 178.890 177.584 0.226 0.000 1.043 785 A CA 0.946 53.032 52.037 0.082 0.000 0.756 785 A CB -1.012 17.947 19.000 -0.068 0.000 0.963 785 A HN 1.429 nan 8.150 nan 0.000 0.511 786 G N 0.845 109.817 108.800 0.285 0.000 2.380 786 G HA2 -0.086 3.874 3.960 0.001 0.000 0.197 786 G HA3 -0.086 3.874 3.960 0.001 0.000 0.197 786 G C 0.038 175.047 174.900 0.181 0.000 1.001 786 G CA -0.002 45.307 45.100 0.349 0.000 0.668 786 G HN 1.446 nan 8.290 nan 0.000 0.483 787 V N 3.488 123.517 119.914 0.190 0.000 2.328 787 V HA 0.425 4.546 4.120 0.001 0.000 0.278 787 V C 0.699 176.910 176.094 0.195 0.000 1.021 787 V CA -1.098 61.308 62.300 0.178 0.000 0.838 787 V CB 1.144 33.070 31.823 0.171 0.000 0.999 787 V HN 0.436 nan 8.190 nan 0.000 0.447 788 H N 3.914 123.043 119.070 0.098 0.000 3.173 788 H HA -0.089 4.468 4.556 0.001 0.000 0.311 788 H C 1.648 177.020 175.328 0.072 0.000 0.972 788 H CA 1.039 57.137 56.048 0.084 0.000 1.384 788 H CB 1.112 30.902 29.762 0.046 0.000 1.349 788 H HN 0.857 nan 8.280 nan 0.000 0.582 789 S N 2.913 118.621 115.700 0.014 0.000 2.387 789 S HA -0.179 4.292 4.470 0.001 0.000 0.230 789 S C 2.335 176.990 174.600 0.091 0.000 1.035 789 S CA 0.969 59.207 58.200 0.063 0.000 1.014 789 S CB -0.683 62.620 63.200 0.172 0.000 0.836 789 S HN 0.732 nan 8.310 nan 0.000 0.466 790 G N 1.268 110.377 108.800 0.516 0.000 2.479 790 G HA2 -0.121 3.840 3.960 0.001 0.000 0.220 790 G HA3 -0.121 3.840 3.960 0.001 0.000 0.220 790 G C 0.808 175.738 174.900 0.050 0.000 1.115 790 G CA 1.007 46.234 45.100 0.211 0.000 0.757 790 G HN 0.556 nan 8.290 nan 0.000 0.560 791 D N -0.444 120.008 120.400 0.086 0.000 2.433 791 D HA 0.186 4.827 4.640 0.001 0.000 0.211 791 D C 0.591 176.899 176.300 0.013 0.000 1.114 791 D CA -0.031 53.990 54.000 0.035 0.000 0.837 791 D CB 0.697 41.543 40.800 0.077 0.000 0.984 791 D HN 0.087 nan 8.370 nan 0.000 0.505 792 S N 0.637 116.309 115.700 -0.047 0.000 2.586 792 S HA 0.646 5.117 4.470 0.001 0.000 0.274 792 S C 0.367 174.892 174.600 -0.124 0.000 1.281 792 S CA -0.770 57.377 58.200 -0.088 0.000 1.035 792 S CB 1.826 64.888 63.200 -0.231 0.000 0.962 792 S HN 0.227 nan 8.310 nan 0.000 0.512 793 A N 1.055 123.868 122.820 -0.012 0.000 2.287 793 A HA 0.675 4.996 4.320 0.001 0.000 0.273 793 A C 0.343 177.926 177.584 -0.002 0.000 1.091 793 A CA -0.555 51.474 52.037 -0.013 0.000 0.817 793 A CB -0.277 18.809 19.000 0.144 0.000 1.069 793 A HN 1.305 nan 8.150 nan 0.000 0.492 794 C N -0.697 118.586 119.300 -0.028 0.000 3.239 794 C HA 0.859 5.320 4.460 0.001 0.000 0.317 794 C C -0.391 174.700 174.990 0.167 0.000 1.310 794 C CA -0.392 58.671 59.018 0.075 0.000 1.371 794 C CB 0.927 28.669 27.740 0.002 0.000 1.714 794 C HN 1.132 nan 8.230 nan 0.000 0.473 795 S N 0.845 116.744 115.700 0.332 0.000 2.513 795 S HA 0.819 5.289 4.470 0.001 0.000 0.299 795 S C -1.370 173.519 174.600 0.483 0.000 1.087 795 S CA -0.547 57.925 58.200 0.452 0.000 1.012 795 S CB 1.266 64.787 63.200 0.534 0.000 1.044 795 S HN 1.091 nan 8.310 nan 0.000 0.485 796 L N 6.312 127.847 121.223 0.520 0.000 2.406 796 L HA 0.625 4.965 4.340 0.001 0.000 0.270 796 L C -2.616 174.425 176.870 0.286 0.000 0.982 796 L CA -2.018 53.045 54.840 0.372 0.000 0.843 796 L CB 2.311 44.562 42.059 0.319 0.000 1.225 796 L HN 0.490 nan 8.230 nan 0.000 0.412 797 P HA 0.275 nan 4.420 nan 0.000 0.279 797 P C -0.687 176.827 177.300 0.356 0.000 1.276 797 P CA -0.454 62.746 63.100 0.167 0.000 0.801 797 P CB 0.713 32.415 31.700 0.004 0.000 1.127 798 A N 0.461 123.443 122.820 0.270 0.000 2.583 798 A HA 0.015 4.336 4.320 0.001 0.000 0.231 798 A C 0.519 178.327 177.584 0.373 0.000 1.065 798 A CA 0.507 52.720 52.037 0.293 0.000 0.760 798 A CB -0.977 18.105 19.000 0.136 0.000 1.001 798 A HN 0.790 nan 8.150 nan 0.000 0.509 799 Y N -1.011 119.330 120.300 0.068 0.000 2.500 799 Y HA 0.339 4.889 4.550 0.001 0.000 0.246 799 Y C 1.288 177.099 175.900 -0.147 0.000 1.146 799 Y CA 0.497 58.559 58.100 -0.065 0.000 1.230 799 Y CB 0.263 38.412 38.460 -0.518 0.000 1.214 799 Y HN 0.657 nan 8.280 nan 0.000 0.526 800 T N -2.362 111.898 114.554 -0.490 0.000 3.074 800 T HA 0.305 4.655 4.350 0.001 0.000 0.258 800 T C 0.117 174.660 174.700 -0.262 0.000 0.891 800 T CA -0.230 61.578 62.100 -0.487 0.000 0.867 800 T CB -0.586 67.824 68.868 -0.763 0.000 1.261 800 T HN 0.134 nan 8.240 nan 0.000 0.537 801 L N 3.871 124.983 121.223 -0.186 0.000 2.461 801 L HA 0.478 4.819 4.340 0.001 0.000 0.272 801 L C 0.883 177.702 176.870 -0.084 0.000 1.197 801 L CA -0.607 54.163 54.840 -0.118 0.000 0.836 801 L CB 0.695 42.704 42.059 -0.084 0.000 1.105 801 L HN 0.399 nan 8.230 nan 0.000 0.477 802 S N 1.074 116.725 115.700 -0.081 0.000 2.565 802 S HA 0.090 4.561 4.470 0.001 0.000 0.274 802 S C 0.633 175.200 174.600 -0.056 0.000 1.309 802 S CA -0.660 57.502 58.200 -0.064 0.000 1.043 802 S CB 1.608 64.770 63.200 -0.064 0.000 0.939 802 S HN 0.691 nan 8.310 nan 0.000 0.504 803 Q N 1.477 121.251 119.800 -0.043 0.000 2.112 803 Q HA -0.244 4.097 4.340 0.001 0.000 0.206 803 Q C 2.010 177.980 176.000 -0.049 0.000 0.987 803 Q CA 2.439 58.219 55.803 -0.040 0.000 0.858 803 Q CB -0.379 28.340 28.738 -0.031 0.000 0.905 803 Q HN 0.965 nan 8.270 nan 0.000 0.420 804 E N -0.205 119.965 120.200 -0.050 0.000 2.049 804 E HA -0.242 4.109 4.350 0.001 0.000 0.198 804 E C 1.975 178.533 176.600 -0.070 0.000 1.007 804 E CA 1.550 57.918 56.400 -0.053 0.000 0.809 804 E CB -0.370 29.301 29.700 -0.049 0.000 0.749 804 E HN 0.597 nan 8.360 nan 0.000 0.450 805 I N 0.448 120.971 120.570 -0.079 0.000 2.439 805 I HA -0.242 3.929 4.170 0.001 0.000 0.251 805 I C 2.312 178.348 176.117 -0.136 0.000 1.139 805 I CA 1.042 62.279 61.300 -0.104 0.000 1.438 805 I CB -0.069 37.873 38.000 -0.097 0.000 1.085 805 I HN 0.297 nan 8.210 nan 0.000 0.427 806 Q N 0.101 119.836 119.800 -0.109 0.000 2.119 806 Q HA -0.218 4.122 4.340 0.001 0.000 0.201 806 Q C 1.610 177.544 176.000 -0.111 0.000 0.972 806 Q CA 1.433 57.169 55.803 -0.112 0.000 0.847 806 Q CB -0.042 28.659 28.738 -0.062 0.000 0.903 806 Q HN 0.456 nan 8.270 nan 0.000 0.433 807 D N 0.046 120.396 120.400 -0.083 0.000 2.178 807 D HA -0.114 4.527 4.640 0.001 0.000 0.201 807 D C 1.936 178.188 176.300 -0.080 0.000 0.980 807 D CA 0.837 54.797 54.000 -0.065 0.000 0.842 807 D CB 0.066 40.838 40.800 -0.046 0.000 0.948 807 D HN 0.071 nan 8.370 nan 0.000 0.472 808 V N 0.794 120.641 119.914 -0.112 0.000 2.343 808 V HA -0.242 3.879 4.120 0.001 0.000 0.247 808 V C 2.529 178.516 176.094 -0.180 0.000 1.051 808 V CA 1.266 63.491 62.300 -0.125 0.000 1.036 808 V CB -0.441 31.294 31.823 -0.146 0.000 0.654 808 V HN 0.186 nan 8.190 nan 0.000 0.451 809 M N -0.601 118.810 119.600 -0.315 0.000 2.067 809 M HA -0.168 4.312 4.480 0.001 0.000 0.260 809 M C 2.528 178.731 176.300 -0.161 0.000 1.069 809 M CA 1.880 56.850 55.300 -0.549 0.000 1.117 809 M CB -0.492 31.590 32.600 -0.863 0.000 1.334 809 M HN 0.162 nan 8.290 nan 0.000 0.407 810 R N 0.030 120.476 120.500 -0.090 0.000 2.112 810 R HA -0.277 4.064 4.340 0.001 0.000 0.242 810 R C 2.238 178.557 176.300 0.032 0.000 1.137 810 R CA 2.348 58.447 56.100 -0.001 0.000 0.944 810 R CB -0.598 29.698 30.300 -0.007 0.000 0.857 810 R HN 0.413 nan 8.270 nan 0.000 0.435 811 Q N 0.557 120.363 119.800 0.010 0.000 2.045 811 Q HA -0.244 4.097 4.340 0.001 0.000 0.206 811 Q C 2.142 178.189 176.000 0.079 0.000 0.991 811 Q CA 1.954 57.781 55.803 0.039 0.000 0.851 811 Q CB 0.045 28.791 28.738 0.014 0.000 0.911 811 Q HN 0.392 nan 8.270 nan 0.000 0.418 812 Q N -0.707 119.149 119.800 0.094 0.000 2.135 812 Q HA -0.162 4.179 4.340 0.001 0.000 0.204 812 Q C 2.220 178.347 176.000 0.211 0.000 0.981 812 Q CA 1.720 57.632 55.803 0.182 0.000 0.856 812 Q CB -0.109 28.813 28.738 0.306 0.000 0.902 812 Q HN 0.328 nan 8.270 nan 0.000 0.425 813 V N 1.206 121.258 119.914 0.230 0.000 2.255 813 V HA -0.332 3.789 4.120 0.001 0.000 0.247 813 V C 2.418 178.549 176.094 0.063 0.000 1.051 813 V CA 2.326 64.727 62.300 0.168 0.000 1.018 813 V CB -0.778 31.142 31.823 0.162 0.000 0.641 813 V HN 0.419 nan 8.190 nan 0.000 0.445 814 Q N -0.058 119.778 119.800 0.061 0.000 2.061 814 Q HA -0.290 4.051 4.340 0.001 0.000 0.204 814 Q C 2.317 178.386 176.000 0.115 0.000 0.984 814 Q CA 2.121 57.942 55.803 0.030 0.000 0.846 814 Q CB -0.094 28.725 28.738 0.135 0.000 0.902 814 Q HN 0.597 nan 8.270 nan 0.000 0.421 815 K N 0.025 120.528 120.400 0.172 0.000 2.032 815 K HA -0.158 4.163 4.320 0.001 0.000 0.209 815 K C 2.106 178.801 176.600 0.159 0.000 1.048 815 K CA 1.596 58.000 56.287 0.195 0.000 0.927 815 K CB -0.167 32.411 32.500 0.131 0.000 0.712 815 K HN 0.204 nan 8.250 nan 0.000 0.441 816 L N 0.298 121.587 121.223 0.109 0.000 1.970 816 L HA -0.254 4.086 4.340 0.001 0.000 0.212 816 L C 2.503 179.402 176.870 0.048 0.000 1.071 816 L CA 1.373 56.269 54.840 0.094 0.000 0.751 816 L CB -0.722 41.394 42.059 0.095 0.000 0.889 816 L HN 0.259 nan 8.230 nan 0.000 0.432 817 A N 0.437 123.224 122.820 -0.056 0.000 1.873 817 A HA -0.303 4.018 4.320 0.001 0.000 0.219 817 A C 2.025 179.523 177.584 -0.144 0.000 1.269 817 A CA 2.451 54.373 52.037 -0.191 0.000 0.671 817 A CB -1.244 17.475 19.000 -0.468 0.000 0.842 817 A HN 0.311 nan 8.150 nan 0.000 0.460 818 F N -0.198 119.782 119.950 0.050 0.000 2.095 818 F HA -0.133 4.394 4.527 0.001 0.000 0.298 818 F C 2.401 178.227 175.800 0.042 0.000 1.104 818 F CA 1.774 59.798 58.000 0.041 0.000 1.232 818 F CB -0.958 38.062 39.000 0.034 0.000 0.987 818 F HN 0.409 nan 8.300 nan 0.000 0.475 819 E N 0.886 121.232 120.200 0.244 0.000 2.085 819 E HA -0.194 4.156 4.350 0.001 0.000 0.194 819 E C 1.909 178.585 176.600 0.127 0.000 0.994 819 E CA 1.542 58.038 56.400 0.159 0.000 0.801 819 E CB -0.580 29.194 29.700 0.125 0.000 0.743 819 E HN 0.463 nan 8.360 nan 0.000 0.453 820 L N -0.113 121.177 121.223 0.112 0.000 2.395 820 L HA 0.039 4.379 4.340 0.001 0.000 0.218 820 L C 0.337 177.251 176.870 0.074 0.000 1.130 820 L CA 0.542 55.438 54.840 0.092 0.000 0.826 820 L CB -0.302 41.807 42.059 0.084 0.000 0.941 820 L HN 0.202 nan 8.230 nan 0.000 0.451 821 Q N -0.342 119.509 119.800 0.084 0.000 2.451 821 Q HA -0.128 4.213 4.340 0.001 0.000 0.292 821 Q C -0.537 175.489 176.000 0.043 0.000 1.390 821 Q CA 0.048 55.900 55.803 0.081 0.000 0.753 821 Q CB -2.134 26.648 28.738 0.073 0.000 1.128 821 Q HN 0.212 nan 8.270 nan 0.000 0.402 822 V N 1.563 121.484 119.914 0.011 0.000 2.614 822 V HA 0.277 4.397 4.120 0.001 0.000 0.291 822 V C 0.740 176.833 176.094 -0.001 0.000 1.049 822 V CA 0.160 62.456 62.300 -0.006 0.000 1.038 822 V CB 1.281 33.079 31.823 -0.041 0.000 0.980 822 V HN 0.218 nan 8.190 nan 0.000 0.481 823 R N 3.775 124.282 120.500 0.012 0.000 2.487 823 R HA 0.643 4.983 4.340 0.001 0.000 0.288 823 R C 0.235 176.548 176.300 0.022 0.000 1.394 823 R CA 0.236 56.346 56.100 0.017 0.000 1.155 823 R CB 0.936 31.246 30.300 0.017 0.000 1.156 823 R HN 1.103 nan 8.270 nan 0.000 0.553 824 G N 1.107 109.928 108.800 0.034 0.000 2.337 824 G HA2 -0.164 3.797 3.960 0.001 0.000 0.197 824 G HA3 -0.164 3.797 3.960 0.001 0.000 0.197 824 G C -0.994 173.957 174.900 0.084 0.000 1.238 824 G CA -1.040 44.105 45.100 0.074 0.000 1.119 824 G HN 0.296 nan 8.290 nan 0.000 0.514 825 L N 1.179 122.487 121.223 0.141 0.000 2.464 825 L HA 0.705 5.045 4.340 0.001 0.000 0.264 825 L C 1.068 177.978 176.870 0.067 0.000 1.199 825 L CA 0.298 55.198 54.840 0.100 0.000 0.818 825 L CB 0.856 42.976 42.059 0.102 0.000 1.102 825 L HN 0.920 nan 8.230 nan 0.000 0.473 826 M N 1.008 120.632 119.600 0.040 0.000 2.578 826 M HA 0.490 4.971 4.480 0.001 0.000 0.276 826 M C -1.666 174.647 176.300 0.021 0.000 1.245 826 M CA -0.770 54.543 55.300 0.022 0.000 0.871 826 M CB 2.401 35.000 32.600 -0.001 0.000 1.722 826 M HN 0.530 nan 8.290 nan 0.000 0.473 827 N N 1.294 119.999 118.700 0.007 0.000 2.260 827 N HA 0.686 5.426 4.740 0.001 0.000 0.293 827 N C -2.372 173.116 175.510 -0.037 0.000 1.058 827 N CA -0.324 52.731 53.050 0.009 0.000 0.824 827 N CB 2.992 41.494 38.487 0.024 0.000 1.551 827 N HN 0.669 nan 8.380 nan 0.000 0.475 828 V N 2.365 122.253 119.914 -0.044 0.000 2.588 828 V HA 0.404 4.525 4.120 0.001 0.000 0.304 828 V C -0.513 175.443 176.094 -0.230 0.000 1.042 828 V CA -0.713 61.467 62.300 -0.200 0.000 0.877 828 V CB 1.760 33.400 31.823 -0.305 0.000 0.996 828 V HN 0.630 nan 8.190 nan 0.000 0.425 829 Q N 3.389 122.986 119.800 -0.338 0.000 2.333 829 Q HA 0.678 5.018 4.340 0.001 0.000 0.265 829 Q C -1.600 174.211 176.000 -0.314 0.000 0.989 829 Q CA -0.186 55.489 55.803 -0.213 0.000 0.842 829 Q CB 2.099 30.771 28.738 -0.110 0.000 1.262 829 Q HN 0.662 nan 8.270 nan 0.000 0.451 830 F N 0.495 120.430 119.950 -0.025 0.000 2.598 830 F HA 0.800 5.328 4.527 0.001 0.000 0.327 830 F C -0.105 175.668 175.800 -0.046 0.000 1.057 830 F CA -1.079 56.919 58.000 -0.004 0.000 0.957 830 F CB 1.691 40.693 39.000 0.004 0.000 1.278 830 F HN 0.455 nan 8.300 nan 0.000 0.484 831 A N 0.902 123.864 122.820 0.237 0.000 2.356 831 A HA 0.769 5.089 4.320 0.001 0.000 0.310 831 A C -1.694 175.984 177.584 0.158 0.000 1.075 831 A CA -0.664 51.431 52.037 0.096 0.000 0.746 831 A CB 1.319 20.314 19.000 -0.010 0.000 1.221 831 A HN 0.506 nan 8.150 nan 0.000 0.443 832 V N 3.177 123.130 119.914 0.066 0.000 2.313 832 V HA 0.380 4.501 4.120 0.001 0.000 0.278 832 V C 0.055 176.178 176.094 0.048 0.000 1.017 832 V CA -0.333 62.011 62.300 0.074 0.000 0.823 832 V CB 0.965 32.787 31.823 -0.002 0.000 1.010 832 V HN 0.833 nan 8.190 nan 0.000 0.443 833 K N 3.657 124.137 120.400 0.134 0.000 2.323 833 K HA 0.449 4.769 4.320 0.001 0.000 0.259 833 K C 0.150 176.818 176.600 0.114 0.000 0.947 833 K CA -0.599 55.727 56.287 0.066 0.000 0.819 833 K CB 0.764 33.240 32.500 -0.040 0.000 1.109 833 K HN 0.750 nan 8.250 nan 0.000 0.429 834 N N 3.583 122.307 118.700 0.040 0.000 2.696 834 N HA -0.267 4.473 4.740 0.001 0.000 0.256 834 N C -0.627 174.898 175.510 0.026 0.000 1.031 834 N CA 0.606 53.674 53.050 0.031 0.000 0.730 834 N CB -0.902 37.611 38.487 0.043 0.000 0.894 834 N HN 0.868 nan 8.380 nan 0.000 0.544 835 N N -0.657 118.045 118.700 0.004 0.000 2.693 835 N HA -0.222 4.519 4.740 0.001 0.000 0.249 835 N C -1.334 174.165 175.510 -0.019 0.000 1.119 835 N CA 1.451 54.490 53.050 -0.017 0.000 0.717 835 N CB -0.246 38.223 38.487 -0.029 0.000 1.071 835 N HN 0.616 nan 8.380 nan 0.000 0.555 836 E N 0.037 120.247 120.200 0.016 0.000 2.248 836 E HA 0.359 4.710 4.350 0.001 0.000 0.267 836 E C -0.503 176.097 176.600 0.000 0.000 0.877 836 E CA -0.769 55.609 56.400 -0.037 0.000 0.759 836 E CB 2.462 32.139 29.700 -0.038 0.000 1.182 836 E HN -0.062 nan 8.360 nan 0.000 0.418 837 V N 3.519 123.367 119.914 -0.111 0.000 2.383 837 V HA 0.271 4.392 4.120 0.001 0.000 0.275 837 V C -0.824 175.246 176.094 -0.041 0.000 1.036 837 V CA -0.462 61.825 62.300 -0.022 0.000 0.889 837 V CB -0.173 31.576 31.823 -0.124 0.000 0.985 837 V HN 0.548 nan 8.190 nan 0.000 0.459 838 Y N 4.038 124.411 120.300 0.122 0.000 2.446 838 Y HA 0.582 5.133 4.550 0.001 0.000 0.338 838 Y C -0.084 175.938 175.900 0.204 0.000 1.055 838 Y CA -1.140 57.037 58.100 0.127 0.000 1.101 838 Y CB 1.752 40.246 38.460 0.057 0.000 1.221 838 Y HN 0.400 nan 8.280 nan 0.000 0.460 839 L N 3.747 125.134 121.223 0.273 0.000 2.290 839 L HA 0.338 4.678 4.340 0.001 0.000 0.284 839 L C 0.100 177.023 176.870 0.089 0.000 1.078 839 L CA 0.375 55.276 54.840 0.102 0.000 0.815 839 L CB 0.432 42.537 42.059 0.077 0.000 1.162 839 L HN 0.751 nan 8.230 nan 0.000 0.435 840 I N 2.701 123.267 120.570 -0.006 0.000 2.810 840 I HA 0.144 4.315 4.170 0.001 0.000 0.262 840 I C 0.265 176.393 176.117 0.019 0.000 1.131 840 I CA 0.239 61.547 61.300 0.013 0.000 1.453 840 I CB 0.293 38.278 38.000 -0.027 0.000 1.161 840 I HN 0.749 nan 8.210 nan 0.000 0.444 841 E N -0.532 119.638 120.200 -0.048 0.000 2.398 841 E HA 0.386 4.736 4.350 0.001 0.000 0.280 841 E C -1.734 174.760 176.600 -0.176 0.000 1.122 841 E CA -0.781 55.559 56.400 -0.099 0.000 0.873 841 E CB 1.867 31.492 29.700 -0.126 0.000 1.294 841 E HN -0.224 nan 8.360 nan 0.000 0.435 842 V N 2.115 121.856 119.914 -0.288 0.000 2.487 842 V HA 0.463 4.584 4.120 0.001 0.000 0.298 842 V C -0.992 174.972 176.094 -0.217 0.000 1.028 842 V CA -0.908 61.255 62.300 -0.228 0.000 0.860 842 V CB 1.703 33.408 31.823 -0.197 0.000 0.991 842 V HN 0.617 nan 8.190 nan 0.000 0.427 843 N N 6.396 125.025 118.700 -0.118 0.000 2.564 843 N HA 0.330 5.071 4.740 0.001 0.000 0.248 843 N C -2.629 172.859 175.510 -0.037 0.000 0.986 843 N CA -1.331 51.675 53.050 -0.075 0.000 0.921 843 N CB 2.310 40.783 38.487 -0.024 0.000 1.136 843 N HN 0.365 nan 8.380 nan 0.000 0.509 844 P HA 0.055 nan 4.420 nan 0.000 0.228 844 P C -0.102 177.214 177.300 0.026 0.000 1.748 844 P CA 0.303 63.397 63.100 -0.011 0.000 0.909 844 P CB -0.036 31.652 31.700 -0.020 0.000 1.882 845 R N -1.487 119.043 120.500 0.050 0.000 2.907 845 R HA 0.709 5.050 4.340 0.001 0.000 0.266 845 R C -1.294 175.077 176.300 0.117 0.000 1.031 845 R CA -1.091 55.072 56.100 0.104 0.000 0.904 845 R CB 0.196 30.555 30.300 0.099 0.000 1.358 845 R HN -0.117 nan 8.270 nan 0.000 0.438 846 A N 0.762 123.676 122.820 0.156 0.000 2.454 846 A HA 0.577 4.898 4.320 0.001 0.000 0.260 846 A C 0.103 177.761 177.584 0.122 0.000 1.106 846 A CA 0.216 52.284 52.037 0.052 0.000 0.780 846 A CB 0.050 18.963 19.000 -0.144 0.000 1.044 846 A HN 0.805 nan 8.150 nan 0.000 0.498 847 A N 2.308 125.154 122.820 0.043 0.000 2.294 847 A HA 0.583 4.904 4.320 0.001 0.000 0.330 847 A C 1.285 178.778 177.584 -0.153 0.000 1.133 847 A CA -0.346 51.721 52.037 0.050 0.000 0.836 847 A CB 0.412 19.439 19.000 0.046 0.000 1.190 847 A HN 1.065 nan 8.150 nan 0.000 0.492 848 R N -0.217 120.127 120.500 -0.261 0.000 2.341 848 R HA -0.108 4.233 4.340 0.001 0.000 0.213 848 R C 0.712 176.851 176.300 -0.267 0.000 1.082 848 R CA 1.956 57.758 56.100 -0.496 0.000 1.017 848 R CB -0.937 29.090 30.300 -0.455 0.000 0.860 848 R HN 0.653 nan 8.270 nan 0.000 0.473 849 T N -1.972 112.507 114.554 -0.125 0.000 3.067 849 T HA 0.112 4.462 4.350 0.001 0.000 0.257 849 T C 1.899 176.606 174.700 0.013 0.000 1.105 849 T CA 0.346 62.435 62.100 -0.018 0.000 1.104 849 T CB 0.046 68.948 68.868 0.057 0.000 0.925 849 T HN 0.022 nan 8.240 nan 0.000 0.498 850 V N 3.026 122.895 119.914 -0.074 0.000 2.252 850 V HA -0.144 3.977 4.120 0.001 0.000 0.249 850 V C -0.118 175.912 176.094 -0.106 0.000 1.056 850 V CA 2.099 64.358 62.300 -0.068 0.000 1.022 850 V CB -1.555 30.209 31.823 -0.099 0.000 0.641 850 V HN 0.381 nan 8.190 nan 0.000 0.445 851 P HA -0.238 nan 4.420 nan 0.000 0.214 851 P C 1.763 178.910 177.300 -0.254 0.000 1.163 851 P CA 1.817 64.595 63.100 -0.537 0.000 0.889 851 P CB -0.231 30.879 31.700 -0.984 0.000 0.790 852 F N 0.499 120.296 119.950 -0.255 0.000 2.069 852 F HA -0.239 4.288 4.527 0.001 0.000 0.298 852 F C 1.961 177.730 175.800 -0.052 0.000 1.113 852 F CA 1.498 59.415 58.000 -0.138 0.000 1.214 852 F CB -0.834 38.103 39.000 -0.105 0.000 0.978 852 F HN -0.307 nan 8.300 nan 0.000 0.474 853 V N 0.059 119.906 119.914 -0.111 0.000 2.332 853 V HA -0.326 3.794 4.120 0.001 0.000 0.248 853 V C 2.410 178.425 176.094 -0.132 0.000 1.055 853 V CA 2.114 64.310 62.300 -0.173 0.000 1.038 853 V CB -1.038 30.795 31.823 0.017 0.000 0.651 853 V HN 0.426 nan 8.190 nan 0.000 0.450 854 S N -0.531 115.136 115.700 -0.056 0.000 2.368 854 S HA -0.227 4.243 4.470 0.001 0.000 0.225 854 S C 2.029 176.680 174.600 0.084 0.000 1.030 854 S CA 1.580 59.802 58.200 0.038 0.000 0.999 854 S CB -0.295 62.974 63.200 0.115 0.000 0.844 854 S HN 0.452 nan 8.310 nan 0.000 0.459 855 K N 1.802 122.200 120.400 -0.004 0.000 2.026 855 K HA 0.123 4.444 4.320 0.001 0.000 0.208 855 K C 2.225 178.857 176.600 0.054 0.000 1.048 855 K CA 1.218 57.507 56.287 0.003 0.000 0.929 855 K CB -0.710 31.729 32.500 -0.102 0.000 0.713 855 K HN 0.301 nan 8.250 nan 0.000 0.439 856 A N 0.037 122.786 122.820 -0.119 0.000 1.858 856 A HA -0.182 4.139 4.320 0.001 0.000 0.216 856 A C 2.244 179.934 177.584 0.176 0.000 1.190 856 A CA 2.530 54.557 52.037 -0.017 0.000 0.617 856 A CB -1.296 17.508 19.000 -0.327 0.000 0.827 856 A HN 0.513 nan 8.150 nan 0.000 0.443 857 T N -4.703 109.877 114.554 0.044 0.000 3.043 857 T HA 0.379 4.729 4.350 0.001 0.000 0.263 857 T C 1.537 176.191 174.700 -0.076 0.000 1.094 857 T CA 1.276 63.373 62.100 -0.005 0.000 1.127 857 T CB 0.182 69.019 68.868 -0.051 0.000 0.905 857 T HN 1.766 nan 8.240 nan 0.000 0.490 858 G N 0.477 109.245 108.800 -0.053 0.000 2.254 858 G HA2 -0.208 3.752 3.960 0.001 0.000 0.225 858 G HA3 -0.208 3.752 3.960 0.001 0.000 0.225 858 G C 0.031 174.798 174.900 -0.222 0.000 1.003 858 G CA -0.145 44.556 45.100 -0.664 0.000 0.622 858 G HN 0.757 nan 8.290 nan 0.000 0.507 859 V N 2.379 122.246 119.914 -0.078 0.000 2.439 859 V HA 0.528 4.649 4.120 0.001 0.000 0.282 859 V C -1.836 174.294 176.094 0.060 0.000 1.039 859 V CA -1.463 60.826 62.300 -0.018 0.000 0.913 859 V CB 1.666 33.479 31.823 -0.017 0.000 0.983 859 V HN 0.160 nan 8.190 nan 0.000 0.460 860 P HA 0.283 nan 4.420 nan 0.000 0.231 860 P C 0.976 178.363 177.300 0.145 0.000 1.811 860 P CA -0.212 62.981 63.100 0.155 0.000 1.051 860 P CB 0.319 32.057 31.700 0.064 0.000 1.951 861 L N 1.039 122.342 121.223 0.132 0.000 2.051 861 L HA -0.280 4.060 4.340 0.001 0.000 0.214 861 L C 2.463 179.411 176.870 0.130 0.000 1.076 861 L CA 2.165 57.066 54.840 0.102 0.000 0.758 861 L CB -1.250 40.848 42.059 0.065 0.000 0.890 861 L HN 0.176 nan 8.230 nan 0.000 0.433 862 A N -0.123 122.791 122.820 0.157 0.000 1.902 862 A HA -0.189 4.132 4.320 0.001 0.000 0.217 862 A C 2.365 180.129 177.584 0.299 0.000 1.181 862 A CA 1.598 53.734 52.037 0.165 0.000 0.623 862 A CB -0.312 18.708 19.000 0.033 0.000 0.818 862 A HN 0.344 nan 8.150 nan 0.000 0.443 863 K N -0.384 120.142 120.400 0.211 0.000 1.985 863 K HA -0.089 4.232 4.320 0.001 0.000 0.210 863 K C 1.935 178.598 176.600 0.105 0.000 1.047 863 K CA 1.536 57.888 56.287 0.108 0.000 0.932 863 K CB -0.551 31.937 32.500 -0.021 0.000 0.716 863 K HN 0.290 nan 8.250 nan 0.000 0.439 864 V N 1.622 121.592 119.914 0.094 0.000 2.282 864 V HA -0.289 3.831 4.120 0.001 0.000 0.249 864 V C 2.378 178.531 176.094 0.099 0.000 1.057 864 V CA 2.189 64.537 62.300 0.079 0.000 1.032 864 V CB -0.810 31.052 31.823 0.065 0.000 0.645 864 V HN 0.403 nan 8.190 nan 0.000 0.447 865 A N -0.464 122.444 122.820 0.147 0.000 2.067 865 A HA 0.068 4.389 4.320 0.001 0.000 0.219 865 A C 2.356 180.024 177.584 0.140 0.000 1.158 865 A CA 1.657 53.792 52.037 0.164 0.000 0.661 865 A CB -0.527 18.606 19.000 0.222 0.000 0.801 865 A HN 0.565 nan 8.150 nan 0.000 0.452 866 A N 0.437 123.353 122.820 0.159 0.000 1.873 866 A HA -0.122 4.199 4.320 0.001 0.000 0.215 866 A C 2.222 179.795 177.584 -0.018 0.000 1.186 866 A CA 1.352 53.401 52.037 0.020 0.000 0.616 866 A CB -0.428 18.598 19.000 0.044 0.000 0.823 866 A HN 0.550 nan 8.150 nan 0.000 0.442 867 R N -0.581 119.936 120.500 0.028 0.000 2.081 867 R HA -0.084 4.257 4.340 0.001 0.000 0.235 867 R C 1.980 178.294 176.300 0.023 0.000 1.131 867 R CA 1.390 57.509 56.100 0.032 0.000 0.960 867 R CB -0.801 29.532 30.300 0.056 0.000 0.856 867 R HN 0.339 nan 8.270 nan 0.000 0.436 868 V N 1.635 121.568 119.914 0.031 0.000 2.324 868 V HA -0.316 3.805 4.120 0.001 0.000 0.250 868 V C 2.374 178.471 176.094 0.005 0.000 1.060 868 V CA 1.969 64.286 62.300 0.028 0.000 1.042 868 V CB -0.394 31.452 31.823 0.039 0.000 0.650 868 V HN 0.340 nan 8.190 nan 0.000 0.450 869 M N -0.461 119.126 119.600 -0.021 0.000 2.117 869 M HA -0.170 4.311 4.480 0.001 0.000 0.262 869 M C 2.280 178.536 176.300 -0.073 0.000 1.065 869 M CA 2.138 57.403 55.300 -0.057 0.000 1.114 869 M CB -0.543 31.992 32.600 -0.109 0.000 1.361 869 M HN 0.401 nan 8.290 nan 0.000 0.408 870 A N -0.621 122.140 122.820 -0.098 0.000 2.015 870 A HA 0.146 4.466 4.320 0.001 0.000 0.219 870 A C 1.866 179.443 177.584 -0.010 0.000 1.163 870 A CA 1.619 53.581 52.037 -0.125 0.000 0.646 870 A CB -0.549 18.312 19.000 -0.230 0.000 0.806 870 A HN 0.657 nan 8.150 nan 0.000 0.448 871 G N -1.938 106.871 108.800 0.015 0.000 2.559 871 G HA2 -0.097 3.863 3.960 0.001 0.000 0.202 871 G HA3 -0.097 3.863 3.960 0.001 0.000 0.202 871 G C 0.152 175.081 174.900 0.049 0.000 0.992 871 G CA 0.113 45.236 45.100 0.039 0.000 0.764 871 G HN 0.410 nan 8.290 nan 0.000 0.525 872 K N 2.579 123.011 120.400 0.054 0.000 2.250 872 K HA 0.514 4.835 4.320 0.001 0.000 0.280 872 K C 1.204 177.830 176.600 0.043 0.000 1.098 872 K CA 0.304 56.622 56.287 0.052 0.000 0.916 872 K CB 0.498 33.034 32.500 0.060 0.000 1.209 872 K HN 0.427 nan 8.250 nan 0.000 0.461 873 S N 3.267 118.991 115.700 0.041 0.000 2.549 873 S HA -0.070 4.400 4.470 0.001 0.000 0.278 873 S C 1.491 176.114 174.600 0.039 0.000 1.344 873 S CA -0.246 57.979 58.200 0.042 0.000 1.025 873 S CB 0.441 63.666 63.200 0.042 0.000 0.851 873 S HN 0.650 nan 8.310 nan 0.000 0.530 874 L N 2.076 123.323 121.223 0.041 0.000 2.042 874 L HA -0.152 4.189 4.340 0.001 0.000 0.210 874 L C 3.097 179.986 176.870 0.031 0.000 1.076 874 L CA 1.802 56.663 54.840 0.036 0.000 0.749 874 L CB -1.305 40.777 42.059 0.038 0.000 0.893 874 L HN 0.970 nan 8.230 nan 0.000 0.432 875 A N 0.140 122.980 122.820 0.033 0.000 1.859 875 A HA -0.282 4.039 4.320 0.001 0.000 0.217 875 A C 2.133 179.730 177.584 0.023 0.000 1.198 875 A CA 2.101 54.155 52.037 0.028 0.000 0.629 875 A CB -0.686 18.332 19.000 0.030 0.000 0.830 875 A HN 0.481 nan 8.150 nan 0.000 0.446 876 E N -0.480 119.736 120.200 0.026 0.000 2.130 876 E HA -0.251 4.100 4.350 0.001 0.000 0.196 876 E C 2.171 178.784 176.600 0.022 0.000 0.998 876 E CA 1.517 57.931 56.400 0.023 0.000 0.806 876 E CB -0.211 29.505 29.700 0.028 0.000 0.738 876 E HN 0.756 nan 8.360 nan 0.000 0.459 877 Q N -0.778 119.036 119.800 0.024 0.000 2.432 877 Q HA 0.043 4.384 4.340 0.001 0.000 0.205 877 Q C 0.973 176.982 176.000 0.015 0.000 0.945 877 Q CA 0.481 56.297 55.803 0.021 0.000 0.924 877 Q CB 0.650 29.403 28.738 0.026 0.000 1.016 877 Q HN 0.381 nan 8.270 nan 0.000 0.503 878 G N 1.010 109.818 108.800 0.014 0.000 2.225 878 G HA2 -0.220 3.740 3.960 0.001 0.000 0.264 878 G HA3 -0.220 3.740 3.960 0.001 0.000 0.264 878 G C -0.116 174.787 174.900 0.006 0.000 1.060 878 G CA 0.139 45.244 45.100 0.009 0.000 0.833 878 G HN 0.214 nan 8.290 nan 0.000 0.498 879 V N 0.930 120.850 119.914 0.011 0.000 2.383 879 V HA 0.500 4.621 4.120 0.001 0.000 0.264 879 V C 0.920 177.021 176.094 0.013 0.000 1.001 879 V CA 0.371 62.676 62.300 0.008 0.000 0.828 879 V CB 0.735 32.566 31.823 0.013 0.000 1.069 879 V HN 0.653 nan 8.190 nan 0.000 0.451 880 T N -1.350 113.210 114.554 0.010 0.000 2.958 880 T HA 0.313 4.664 4.350 0.001 0.000 0.256 880 T C 0.508 175.215 174.700 0.011 0.000 0.983 880 T CA -0.174 61.935 62.100 0.016 0.000 0.924 880 T CB 0.467 69.346 68.868 0.018 0.000 1.136 880 T HN 0.407 nan 8.240 nan 0.000 0.506 881 K N 2.351 122.752 120.400 0.002 0.000 2.182 881 K HA 0.397 4.718 4.320 0.001 0.000 0.262 881 K C -0.374 176.219 176.600 -0.011 0.000 0.957 881 K CA -0.533 55.751 56.287 -0.004 0.000 0.842 881 K CB 2.254 34.749 32.500 -0.008 0.000 1.099 881 K HN 0.337 nan 8.250 nan 0.000 0.438 882 E N 2.843 123.038 120.200 -0.009 0.000 2.366 882 E HA 0.048 4.398 4.350 0.001 0.000 0.266 882 E C -0.838 175.743 176.600 -0.032 0.000 1.015 882 E CA -0.417 55.974 56.400 -0.015 0.000 0.906 882 E CB 0.730 30.426 29.700 -0.007 0.000 0.979 882 E HN 0.161 nan 8.360 nan 0.000 0.443 883 V N 6.271 126.160 119.914 -0.042 0.000 2.567 883 V HA 0.324 4.445 4.120 0.001 0.000 0.289 883 V C 0.286 176.330 176.094 -0.082 0.000 1.049 883 V CA -0.391 61.868 62.300 -0.068 0.000 0.969 883 V CB 1.151 32.926 31.823 -0.080 0.000 0.995 883 V HN 0.641 nan 8.190 nan 0.000 0.471 884 I N 6.156 126.660 120.570 -0.109 0.000 2.468 884 I HA 0.380 4.551 4.170 0.001 0.000 0.284 884 I C -2.360 173.628 176.117 -0.216 0.000 1.038 884 I CA -1.730 59.488 61.300 -0.137 0.000 1.083 884 I CB 2.422 40.359 38.000 -0.106 0.000 1.223 884 I HN 0.497 nan 8.210 nan 0.000 0.443 885 P HA 0.210 nan 4.420 nan 0.000 0.271 885 P C -2.149 174.817 177.300 -0.557 0.000 1.218 885 P CA -1.293 61.459 63.100 -0.581 0.000 0.780 885 P CB 0.078 31.226 31.700 -0.920 0.000 0.901 886 P HA 0.002 nan 4.420 nan 0.000 0.236 886 P C -0.294 176.870 177.300 -0.225 0.000 1.177 886 P CA 0.947 63.871 63.100 -0.294 0.000 0.773 886 P CB -0.118 31.509 31.700 -0.123 0.000 0.878 887 Y N -3.261 116.990 120.300 -0.082 0.000 2.630 887 Y HA 0.658 5.209 4.550 0.001 0.000 0.337 887 Y C -0.397 175.436 175.900 -0.111 0.000 1.051 887 Y CA -2.097 55.975 58.100 -0.047 0.000 1.121 887 Y CB 0.252 38.727 38.460 0.024 0.000 1.299 887 Y HN -0.350 nan 8.280 nan 0.000 0.498 888 Y N 0.639 121.145 120.300 0.344 0.000 2.323 888 Y HA 0.571 5.122 4.550 0.001 0.000 0.331 888 Y C -0.264 175.810 175.900 0.290 0.000 1.092 888 Y CA -0.312 57.954 58.100 0.277 0.000 1.150 888 Y CB 2.009 40.605 38.460 0.227 0.000 1.200 888 Y HN 0.623 nan 8.280 nan 0.000 0.472 889 S N 2.452 118.434 115.700 0.469 0.000 2.561 889 S HA 0.662 5.132 4.470 0.001 0.000 0.303 889 S C -1.149 173.732 174.600 0.468 0.000 1.110 889 S CA -0.754 57.660 58.200 0.357 0.000 1.034 889 S CB 1.350 64.663 63.200 0.189 0.000 1.010 889 S HN 0.319 nan 8.310 nan 0.000 0.482 890 V N 3.589 123.695 119.914 0.320 0.000 2.604 890 V HA 0.508 4.629 4.120 0.001 0.000 0.305 890 V C -0.129 175.998 176.094 0.056 0.000 1.043 890 V CA -0.798 61.617 62.300 0.191 0.000 0.888 890 V CB 1.963 33.754 31.823 -0.053 0.000 0.995 890 V HN 0.721 nan 8.190 nan 0.000 0.429 891 K N 3.071 123.338 120.400 -0.222 0.000 2.185 891 K HA 0.605 4.926 4.320 0.001 0.000 0.269 891 K C -0.863 175.551 176.600 -0.309 0.000 0.987 891 K CA -0.374 55.649 56.287 -0.439 0.000 0.865 891 K CB 1.799 33.697 32.500 -1.003 0.000 1.090 891 K HN 0.790 nan 8.250 nan 0.000 0.450 892 E N 2.405 122.445 120.200 -0.265 0.000 2.320 892 E HA 0.384 4.734 4.350 0.001 0.000 0.264 892 E C -1.301 175.193 176.600 -0.177 0.000 0.923 892 E CA -0.869 55.393 56.400 -0.229 0.000 0.796 892 E CB 1.690 31.216 29.700 -0.290 0.000 1.262 892 E HN 0.331 nan 8.360 nan 0.000 0.428 893 V N 0.129 119.965 119.914 -0.130 0.000 3.177 893 V HA 0.890 5.011 4.120 0.001 0.000 0.319 893 V C -0.397 175.650 176.094 -0.079 0.000 1.125 893 V CA -0.539 61.700 62.300 -0.103 0.000 1.029 893 V CB 1.531 33.304 31.823 -0.084 0.000 1.119 893 V HN 0.644 nan 8.190 nan 0.000 0.452 894 V N 0.296 120.167 119.914 -0.072 0.000 2.588 894 V HA 0.781 4.902 4.120 0.001 0.000 0.304 894 V C -0.715 175.328 176.094 -0.085 0.000 1.042 894 V CA -0.609 61.654 62.300 -0.063 0.000 0.877 894 V CB 1.076 32.865 31.823 -0.056 0.000 0.996 894 V HN 0.895 nan 8.190 nan 0.000 0.425 895 L N 5.338 126.500 121.223 -0.103 0.000 2.334 895 L HA 0.671 5.012 4.340 0.001 0.000 0.273 895 L C -1.699 175.020 176.870 -0.252 0.000 1.013 895 L CA -1.492 53.204 54.840 -0.240 0.000 0.816 895 L CB 2.860 44.698 42.059 -0.369 0.000 1.278 895 L HN 0.478 nan 8.230 nan 0.000 0.431 896 P HA 0.074 nan 4.420 nan 0.000 0.257 896 P C 1.133 178.304 177.300 -0.214 0.000 1.325 896 P CA 0.093 63.041 63.100 -0.254 0.000 0.850 896 P CB 0.096 31.677 31.700 -0.198 0.000 1.324 897 F N 2.801 122.779 119.950 0.048 0.000 2.154 897 F HA -0.232 4.296 4.527 0.001 0.000 0.301 897 F C 2.261 178.056 175.800 -0.009 0.000 1.087 897 F CA 1.557 59.607 58.000 0.083 0.000 1.274 897 F CB -1.787 37.297 39.000 0.140 0.000 1.009 897 F HN 0.129 nan 8.300 nan 0.000 0.485 898 N N 0.682 119.446 118.700 0.107 0.000 2.348 898 N HA -0.208 4.533 4.740 0.001 0.000 0.185 898 N C 1.295 176.716 175.510 -0.149 0.000 1.019 898 N CA 1.203 54.251 53.050 -0.004 0.000 0.880 898 N CB -0.480 38.000 38.487 -0.013 0.000 0.965 898 N HN 0.197 nan 8.380 nan 0.000 0.437 899 K N -0.160 120.032 120.400 -0.346 0.000 2.296 899 K HA 0.060 4.381 4.320 0.001 0.000 0.200 899 K C -0.181 175.919 176.600 -0.832 0.000 1.048 899 K CA 0.344 56.199 56.287 -0.720 0.000 0.966 899 K CB -0.027 31.756 32.500 -1.195 0.000 0.754 899 K HN 0.304 nan 8.250 nan 0.000 0.466 900 F N 0.734 120.643 119.950 -0.068 0.000 2.622 900 F HA 0.276 4.804 4.527 0.001 0.000 0.338 900 F C -1.818 174.007 175.800 0.042 0.000 1.334 900 F CA -2.514 55.475 58.000 -0.018 0.000 1.179 900 F CB 1.329 40.280 39.000 -0.082 0.000 1.471 900 F HN -0.159 nan 8.300 nan 0.000 0.576 901 P HA -0.201 nan 4.420 nan 0.000 0.218 901 P C 1.849 179.208 177.300 0.100 0.000 1.154 901 P CA 1.723 64.875 63.100 0.087 0.000 0.872 901 P CB 0.157 31.874 31.700 0.029 0.000 0.790 902 G N -0.924 107.951 108.800 0.124 0.000 2.740 902 G HA2 0.043 4.004 3.960 0.001 0.000 0.208 902 G HA3 0.043 4.004 3.960 0.001 0.000 0.208 902 G C 0.371 175.340 174.900 0.116 0.000 1.148 902 G CA 0.071 45.230 45.100 0.100 0.000 0.795 902 G HN 0.225 nan 8.290 nan 0.000 0.526 903 V N -0.145 119.866 119.914 0.161 0.000 2.850 903 V HA 0.287 4.407 4.120 0.001 0.000 0.315 903 V C -0.495 175.624 176.094 0.041 0.000 1.064 903 V CA -1.126 61.272 62.300 0.164 0.000 0.979 903 V CB 2.089 34.121 31.823 0.349 0.000 1.039 903 V HN 0.116 nan 8.190 nan 0.000 0.452 904 D N 3.982 124.371 120.400 -0.020 0.000 2.317 904 D HA 0.257 4.898 4.640 0.001 0.000 0.252 904 D C -2.172 173.903 176.300 -0.375 0.000 1.174 904 D CA -2.051 51.868 54.000 -0.135 0.000 0.866 904 D CB 1.631 42.379 40.800 -0.086 0.000 1.127 904 D HN 0.226 nan 8.370 nan 0.000 0.467 905 P HA 0.153 nan 4.420 nan 0.000 0.228 905 P C -0.637 176.246 177.300 -0.694 0.000 1.748 905 P CA -0.412 61.968 63.100 -1.200 0.000 0.909 905 P CB -0.193 31.238 31.700 -0.449 0.000 1.882 906 L N 0.555 121.479 121.223 -0.498 0.000 2.325 906 L HA 0.379 4.719 4.340 0.001 0.000 0.278 906 L C -0.242 176.652 176.870 0.039 0.000 1.023 906 L CA -1.038 53.731 54.840 -0.119 0.000 0.811 906 L CB 1.205 43.217 42.059 -0.078 0.000 1.249 906 L HN -0.046 nan 8.230 nan 0.000 0.431 907 L N 3.355 124.645 121.223 0.112 0.000 2.439 907 L HA 0.798 5.138 4.340 0.001 0.000 0.261 907 L C 0.627 177.568 176.870 0.118 0.000 1.153 907 L CA -0.019 54.918 54.840 0.162 0.000 0.808 907 L CB 0.986 43.133 42.059 0.147 0.000 1.126 907 L HN 0.812 nan 8.230 nan 0.000 0.460 908 G N 0.031 108.905 108.800 0.123 0.000 2.428 908 G HA2 0.284 4.245 3.960 0.001 0.000 0.304 908 G HA3 0.284 4.245 3.960 0.001 0.000 0.304 908 G C -2.670 172.291 174.900 0.102 0.000 1.303 908 G CA -0.366 44.783 45.100 0.082 0.000 0.825 908 G HN 0.314 nan 8.290 nan 0.000 0.484 909 P HA 0.003 nan 4.420 nan 0.000 0.228 909 P C 0.371 177.772 177.300 0.168 0.000 1.151 909 P CA 0.960 64.117 63.100 0.094 0.000 0.770 909 P CB 0.401 32.104 31.700 0.004 0.000 0.786 910 E N -0.163 120.090 120.200 0.088 0.000 2.216 910 E HA 0.335 4.686 4.350 0.001 0.000 0.279 910 E C -0.400 176.147 176.600 -0.088 0.000 0.997 910 E CA -0.931 55.471 56.400 0.003 0.000 0.817 910 E CB 0.763 30.428 29.700 -0.058 0.000 1.096 910 E HN -0.087 nan 8.360 nan 0.000 0.393 911 M N 4.221 123.609 119.600 -0.353 0.000 2.185 911 M HA 0.213 4.693 4.480 0.001 0.000 0.357 911 M C 0.002 176.165 176.300 -0.228 0.000 1.260 911 M CA 0.278 55.335 55.300 -0.404 0.000 1.124 911 M CB 0.419 32.569 32.600 -0.750 0.000 1.600 911 M HN 0.497 nan 8.290 nan 0.000 0.467 912 R N 1.216 121.637 120.500 -0.131 0.000 2.541 912 R HA 0.182 4.523 4.340 0.001 0.000 0.332 912 R C -0.055 176.218 176.300 -0.044 0.000 0.951 912 R CA 0.042 56.088 56.100 -0.090 0.000 1.136 912 R CB 0.728 31.002 30.300 -0.043 0.000 1.449 912 R HN 0.820 nan 8.270 nan 0.000 0.531 913 S N -0.726 114.926 115.700 -0.080 0.000 2.592 913 S HA 0.111 4.582 4.470 0.001 0.000 0.271 913 S C 1.179 175.750 174.600 -0.048 0.000 1.326 913 S CA 0.080 58.231 58.200 -0.081 0.000 1.024 913 S CB 1.583 64.736 63.200 -0.077 0.000 0.921 913 S HN 0.263 nan 8.310 nan 0.000 0.527 914 T N -1.336 113.188 114.554 -0.049 0.000 3.000 914 T HA 0.496 4.846 4.350 0.001 0.000 0.248 914 T C 0.822 175.500 174.700 -0.037 0.000 1.034 914 T CA 0.273 62.354 62.100 -0.031 0.000 1.060 914 T CB -0.214 68.635 68.868 -0.033 0.000 0.983 914 T HN 1.055 nan 8.240 nan 0.000 0.482 915 G N 0.547 109.316 108.800 -0.052 0.000 2.749 915 G HA2 0.648 4.608 3.960 0.001 0.000 0.300 915 G HA3 0.648 4.608 3.960 0.001 0.000 0.300 915 G C -2.015 172.840 174.900 -0.075 0.000 1.352 915 G CA -0.848 44.220 45.100 -0.055 0.000 0.789 915 G HN 0.550 nan 8.290 nan 0.000 0.509 916 E N -2.185 117.967 120.200 -0.080 0.000 2.423 916 E HA 0.625 4.975 4.350 0.001 0.000 0.280 916 E C -1.287 175.259 176.600 -0.089 0.000 1.030 916 E CA -1.021 55.317 56.400 -0.104 0.000 0.812 916 E CB 2.078 31.693 29.700 -0.142 0.000 1.313 916 E HN 1.186 nan 8.360 nan 0.000 0.456 917 V N -1.695 118.156 119.914 -0.104 0.000 3.141 917 V HA 0.794 4.914 4.120 0.001 0.000 0.312 917 V C -0.746 175.306 176.094 -0.069 0.000 1.157 917 V CA -1.050 61.203 62.300 -0.078 0.000 1.041 917 V CB 1.936 33.708 31.823 -0.085 0.000 1.071 917 V HN 0.928 nan 8.190 nan 0.000 0.441 918 M N 1.733 121.322 119.600 -0.018 0.000 2.464 918 M HA 0.865 5.345 4.480 0.001 0.000 0.308 918 M C -0.386 175.910 176.300 -0.007 0.000 1.127 918 M CA -0.209 55.126 55.300 0.057 0.000 0.913 918 M CB 2.094 34.791 32.600 0.162 0.000 1.689 918 M HN 1.212 nan 8.290 nan 0.000 0.445 919 G N 2.790 111.582 108.800 -0.013 0.000 2.513 919 G HA2 0.647 4.608 3.960 0.001 0.000 0.317 919 G HA3 0.647 4.608 3.960 0.001 0.000 0.317 919 G C -1.777 173.118 174.900 -0.009 0.000 1.277 919 G CA -0.504 44.559 45.100 -0.062 0.000 0.955 919 G HN 0.604 nan 8.290 nan 0.000 0.484 920 V N 1.260 121.152 119.914 -0.037 0.000 2.417 920 V HA 0.897 5.017 4.120 0.001 0.000 0.291 920 V C 0.621 176.707 176.094 -0.013 0.000 1.024 920 V CA -0.110 62.165 62.300 -0.042 0.000 0.861 920 V CB 1.201 32.913 31.823 -0.186 0.000 0.985 920 V HN 1.095 nan 8.190 nan 0.000 0.436 921 G N 3.248 112.100 108.800 0.086 0.000 2.690 921 G HA2 0.513 4.474 3.960 0.001 0.000 0.291 921 G HA3 0.513 4.474 3.960 0.001 0.000 0.291 921 G C -0.067 174.970 174.900 0.228 0.000 1.403 921 G CA -0.748 44.416 45.100 0.107 0.000 0.864 921 G HN 0.517 nan 8.290 nan 0.000 0.480 922 R N -1.085 119.521 120.500 0.177 0.000 2.189 922 R HA 0.107 4.448 4.340 0.001 0.000 0.218 922 R C 1.024 177.502 176.300 0.296 0.000 1.074 922 R CA 1.527 57.751 56.100 0.207 0.000 0.991 922 R CB 0.040 30.418 30.300 0.131 0.000 0.883 922 R HN 0.655 nan 8.270 nan 0.000 0.457 923 T N -4.574 110.139 114.554 0.264 0.000 2.896 923 T HA 0.181 4.532 4.350 0.001 0.000 0.297 923 T C 0.339 175.061 174.700 0.037 0.000 1.108 923 T CA -0.895 61.347 62.100 0.238 0.000 1.004 923 T CB 1.329 70.277 68.868 0.133 0.000 1.159 923 T HN 0.030 nan 8.240 nan 0.000 0.499 924 F N 1.777 121.418 119.950 -0.515 0.000 2.161 924 F HA 0.063 4.591 4.527 0.001 0.000 0.300 924 F C 2.393 178.063 175.800 -0.215 0.000 1.089 924 F CA 1.857 59.462 58.000 -0.657 0.000 1.282 924 F CB -0.662 37.859 39.000 -0.798 0.000 1.010 924 F HN 0.783 nan 8.300 nan 0.000 0.485 925 A N -0.054 122.738 122.820 -0.048 0.000 1.902 925 A HA -0.213 4.107 4.320 0.001 0.000 0.217 925 A C 2.267 179.787 177.584 -0.107 0.000 1.181 925 A CA 1.733 53.734 52.037 -0.060 0.000 0.623 925 A CB -0.981 18.045 19.000 0.044 0.000 0.818 925 A HN 0.571 nan 8.150 nan 0.000 0.443 926 E N -0.199 119.962 120.200 -0.065 0.000 2.051 926 E HA -0.127 4.223 4.350 0.001 0.000 0.192 926 E C 2.244 178.787 176.600 -0.095 0.000 0.991 926 E CA 0.994 57.362 56.400 -0.052 0.000 0.799 926 E CB -0.249 29.452 29.700 0.001 0.000 0.748 926 E HN 0.524 nan 8.360 nan 0.000 0.449 927 A N 0.726 123.481 122.820 -0.108 0.000 1.865 927 A HA -0.217 4.104 4.320 0.001 0.000 0.217 927 A C 2.038 179.475 177.584 -0.245 0.000 1.191 927 A CA 1.506 53.469 52.037 -0.122 0.000 0.623 927 A CB -1.052 17.920 19.000 -0.046 0.000 0.826 927 A HN 0.485 nan 8.150 nan 0.000 0.444 928 F N 0.701 120.312 119.950 -0.564 0.000 2.161 928 F HA -0.109 4.418 4.527 0.001 0.000 0.300 928 F C 2.529 178.132 175.800 -0.329 0.000 1.089 928 F CA 1.287 58.942 58.000 -0.575 0.000 1.282 928 F CB -0.187 38.281 39.000 -0.887 0.000 1.010 928 F HN 0.252 nan 8.300 nan 0.000 0.485 929 A N -0.402 122.341 122.820 -0.129 0.000 1.969 929 A HA -0.149 4.172 4.320 0.001 0.000 0.218 929 A C 2.187 179.645 177.584 -0.210 0.000 1.169 929 A CA 1.514 53.470 52.037 -0.135 0.000 0.635 929 A CB -0.502 18.444 19.000 -0.089 0.000 0.810 929 A HN 0.411 nan 8.150 nan 0.000 0.445 930 K N -0.319 119.959 120.400 -0.203 0.000 2.031 930 K HA 0.037 4.358 4.320 0.001 0.000 0.205 930 K C 2.335 178.805 176.600 -0.216 0.000 1.049 930 K CA 1.016 57.195 56.287 -0.180 0.000 0.939 930 K CB -0.284 32.137 32.500 -0.131 0.000 0.717 930 K HN 0.400 nan 8.250 nan 0.000 0.438 931 A N 1.307 123.951 122.820 -0.294 0.000 1.902 931 A HA -0.263 4.058 4.320 0.001 0.000 0.217 931 A C 2.122 179.474 177.584 -0.386 0.000 1.181 931 A CA 1.651 53.488 52.037 -0.334 0.000 0.623 931 A CB -0.557 18.196 19.000 -0.412 0.000 0.818 931 A HN 0.397 nan 8.150 nan 0.000 0.443 932 Q N -0.944 118.546 119.800 -0.516 0.000 2.119 932 Q HA -0.152 4.189 4.340 0.001 0.000 0.201 932 Q C 1.967 177.830 176.000 -0.229 0.000 0.972 932 Q CA 1.595 57.156 55.803 -0.403 0.000 0.847 932 Q CB -0.222 28.250 28.738 -0.443 0.000 0.903 932 Q HN 0.527 nan 8.270 nan 0.000 0.433 933 L N 0.354 121.454 121.223 -0.206 0.000 2.056 933 L HA 0.029 4.370 4.340 0.001 0.000 0.207 933 L C 2.139 178.951 176.870 -0.096 0.000 1.078 933 L CA 2.354 57.109 54.840 -0.141 0.000 0.749 933 L CB -0.998 40.964 42.059 -0.162 0.000 0.901 933 L HN 0.277 nan 8.230 nan 0.000 0.433 934 G N -1.398 107.330 108.800 -0.120 0.000 2.448 934 G HA2 -0.265 3.695 3.960 0.001 0.000 0.219 934 G HA3 -0.265 3.695 3.960 0.001 0.000 0.219 934 G C 1.414 176.266 174.900 -0.080 0.000 1.127 934 G CA 0.875 45.922 45.100 -0.089 0.000 0.766 934 G HN 0.587 nan 8.290 nan 0.000 0.552 935 S N -0.646 114.993 115.700 -0.102 0.000 2.710 935 S HA 0.104 4.574 4.470 0.001 0.000 0.224 935 S C 0.948 175.528 174.600 -0.034 0.000 0.948 935 S CA 0.528 58.682 58.200 -0.077 0.000 0.949 935 S CB -0.659 62.480 63.200 -0.103 0.000 0.778 935 S HN 0.551 nan 8.310 nan 0.000 0.498 936 N N 0.501 119.189 118.700 -0.020 0.000 2.782 936 N HA -0.198 4.543 4.740 0.001 0.000 0.251 936 N C -0.165 175.369 175.510 0.040 0.000 1.101 936 N CA 0.582 53.641 53.050 0.015 0.000 0.764 936 N CB -1.524 36.973 38.487 0.017 0.000 1.122 936 N HN 0.619 nan 8.380 nan 0.000 0.561 937 S N -0.343 115.371 115.700 0.023 0.000 2.579 937 S HA 0.183 4.653 4.470 0.001 0.000 0.275 937 S C 1.411 176.051 174.600 0.065 0.000 1.345 937 S CA 0.797 59.045 58.200 0.079 0.000 1.031 937 S CB 1.122 64.289 63.200 -0.055 0.000 0.892 937 S HN 0.316 nan 8.310 nan 0.000 0.529 938 T N 2.404 117.046 114.554 0.146 0.000 3.176 938 T HA 0.275 4.625 4.350 0.001 0.000 0.263 938 T C 0.389 175.151 174.700 0.104 0.000 1.021 938 T CA -0.524 61.650 62.100 0.124 0.000 0.905 938 T CB -0.354 68.620 68.868 0.177 0.000 1.057 938 T HN 0.582 nan 8.240 nan 0.000 0.558 939 M N 3.257 122.849 119.600 -0.012 0.000 2.250 939 M HA 0.234 4.714 4.480 0.001 0.000 0.337 939 M C -0.294 175.992 176.300 -0.022 0.000 1.161 939 M CA 0.175 55.429 55.300 -0.075 0.000 1.088 939 M CB 0.222 32.559 32.600 -0.440 0.000 1.639 939 M HN 0.083 nan 8.290 nan 0.000 0.447 940 K N 4.214 124.636 120.400 0.037 0.000 2.352 940 K HA 0.371 4.692 4.320 0.001 0.000 0.240 940 K C -0.218 176.413 176.600 0.053 0.000 1.017 940 K CA -0.852 55.426 56.287 -0.016 0.000 0.851 940 K CB 1.215 33.604 32.500 -0.185 0.000 1.261 940 K HN 0.622 nan 8.250 nan 0.000 0.451 941 K N 0.692 121.097 120.400 0.007 0.000 2.404 941 K HA 0.018 4.339 4.320 0.001 0.000 0.194 941 K C 0.589 177.149 176.600 -0.067 0.000 1.023 941 K CA 0.431 56.771 56.287 0.087 0.000 1.094 941 K CB 0.187 32.737 32.500 0.084 0.000 0.841 941 K HN 0.604 nan 8.250 nan 0.000 0.523 942 H N -2.539 116.301 119.070 -0.382 0.000 3.015 942 H HA 0.581 5.138 4.556 0.001 0.000 0.282 942 H C 0.284 175.077 175.328 -0.891 0.000 1.508 942 H CA -0.192 55.355 56.048 -0.836 0.000 1.209 942 H CB 0.901 30.437 29.762 -0.377 0.000 1.869 942 H HN 0.080 nan 8.280 nan 0.000 0.591 943 G N 0.527 109.034 108.800 -0.488 0.000 2.445 943 G HA2 -0.100 3.861 3.960 0.001 0.000 0.212 943 G HA3 -0.100 3.861 3.960 0.001 0.000 0.212 943 G C -1.026 173.856 174.900 -0.030 0.000 1.217 943 G CA -0.209 44.787 45.100 -0.173 0.000 1.002 943 G HN 0.840 nan 8.290 nan 0.000 0.574 944 R N 0.205 120.848 120.500 0.237 0.000 2.534 944 R HA 0.702 5.043 4.340 0.001 0.000 0.301 944 R C -0.025 176.630 176.300 0.592 0.000 0.961 944 R CA 0.040 56.380 56.100 0.399 0.000 0.871 944 R CB 1.394 31.840 30.300 0.242 0.000 1.170 944 R HN 1.523 nan 8.270 nan 0.000 0.446 945 A N 4.296 127.431 122.820 0.524 0.000 2.312 945 A HA 0.480 4.800 4.320 0.001 0.000 0.326 945 A C -1.307 176.314 177.584 0.062 0.000 1.172 945 A CA -0.713 51.496 52.037 0.287 0.000 0.821 945 A CB 1.178 20.285 19.000 0.180 0.000 1.166 945 A HN 0.594 nan 8.150 nan 0.000 0.493 946 L N 2.720 123.771 121.223 -0.287 0.000 2.282 946 L HA 0.729 5.069 4.340 0.001 0.000 0.288 946 L C -1.416 175.251 176.870 -0.338 0.000 1.033 946 L CA -0.352 54.190 54.840 -0.497 0.000 0.807 946 L CB 1.030 42.439 42.059 -1.083 0.000 1.209 946 L HN 0.502 nan 8.230 nan 0.000 0.423 947 L N 4.422 125.517 121.223 -0.213 0.000 2.356 947 L HA 0.652 4.993 4.340 0.001 0.000 0.277 947 L C -0.199 176.590 176.870 -0.136 0.000 0.996 947 L CA 0.006 54.744 54.840 -0.169 0.000 0.822 947 L CB 1.851 43.848 42.059 -0.103 0.000 1.256 947 L HN 0.663 nan 8.230 nan 0.000 0.413 948 S N 2.729 118.348 115.700 -0.133 0.000 2.461 948 S HA 0.631 5.102 4.470 0.001 0.000 0.216 948 S C -0.710 173.845 174.600 -0.076 0.000 1.201 948 S CA -0.536 57.606 58.200 -0.096 0.000 1.171 948 S CB 0.407 63.537 63.200 -0.116 0.000 1.169 948 S HN 0.422 nan 8.310 nan 0.000 0.456 949 V N 2.849 122.732 119.914 -0.050 0.000 3.193 949 V HA 0.789 4.910 4.120 0.001 0.000 0.320 949 V C 0.068 176.151 176.094 -0.019 0.000 1.112 949 V CA -1.350 60.930 62.300 -0.034 0.000 1.026 949 V CB 1.244 33.051 31.823 -0.026 0.000 1.128 949 V HN 0.856 nan 8.190 nan 0.000 0.452 950 R N -0.072 120.421 120.500 -0.011 0.000 2.546 950 R HA 0.476 4.817 4.340 0.001 0.000 0.266 950 R C 0.870 177.170 176.300 -0.000 0.000 1.086 950 R CA -0.551 55.542 56.100 -0.012 0.000 1.160 950 R CB 0.513 30.802 30.300 -0.017 0.000 1.138 950 R HN 0.702 nan 8.270 nan 0.000 0.567 951 E N 1.213 121.409 120.200 -0.007 0.000 2.082 951 E HA -0.240 4.111 4.350 0.001 0.000 0.215 951 E C 1.978 178.588 176.600 0.017 0.000 1.048 951 E CA 2.575 58.976 56.400 0.002 0.000 0.869 951 E CB -0.815 28.878 29.700 -0.011 0.000 0.773 951 E HN 0.934 nan 8.360 nan 0.000 0.466 952 G N 0.969 109.782 108.800 0.022 0.000 2.475 952 G HA2 -0.257 3.704 3.960 0.001 0.000 0.220 952 G HA3 -0.257 3.704 3.960 0.001 0.000 0.220 952 G C 1.183 176.113 174.900 0.048 0.000 1.125 952 G CA 1.097 46.221 45.100 0.040 0.000 0.755 952 G HN 0.235 nan 8.290 nan 0.000 0.565 953 D N 0.253 120.680 120.400 0.045 0.000 2.323 953 D HA 0.019 4.659 4.640 0.001 0.000 0.209 953 D C 2.253 178.583 176.300 0.050 0.000 0.973 953 D CA 0.287 54.321 54.000 0.056 0.000 0.874 953 D CB -0.044 40.785 40.800 0.048 0.000 0.930 953 D HN 0.289 nan 8.370 nan 0.000 0.521 954 K N 0.806 121.227 120.400 0.035 0.000 2.144 954 K HA -0.219 4.101 4.320 0.001 0.000 0.209 954 K C 1.927 178.550 176.600 0.038 0.000 1.047 954 K CA 1.131 57.436 56.287 0.030 0.000 0.927 954 K CB 0.100 32.613 32.500 0.023 0.000 0.716 954 K HN 0.232 nan 8.250 nan 0.000 0.454 955 E N 0.301 120.529 120.200 0.047 0.000 2.021 955 E HA -0.101 4.250 4.350 0.001 0.000 0.189 955 E C 2.078 178.723 176.600 0.076 0.000 0.980 955 E CA 0.739 57.170 56.400 0.051 0.000 0.803 955 E CB 0.167 29.894 29.700 0.045 0.000 0.766 955 E HN 0.200 nan 8.360 nan 0.000 0.449 956 R N 0.279 120.844 120.500 0.108 0.000 2.152 956 R HA -0.083 4.258 4.340 0.001 0.000 0.232 956 R C 2.373 178.801 176.300 0.214 0.000 1.117 956 R CA 0.650 56.868 56.100 0.196 0.000 0.981 956 R CB -0.312 30.157 30.300 0.283 0.000 0.870 956 R HN 0.112 nan 8.270 nan 0.000 0.451 957 V N 0.828 120.804 119.914 0.104 0.000 2.688 957 V HA -0.207 3.913 4.120 0.001 0.000 0.256 957 V C 1.932 178.046 176.094 0.032 0.000 1.084 957 V CA 1.501 63.817 62.300 0.026 0.000 1.103 957 V CB -0.085 31.735 31.823 -0.004 0.000 0.688 957 V HN 0.122 nan 8.190 nan 0.000 0.480 958 V N 0.251 120.204 119.914 0.064 0.000 2.295 958 V HA -0.234 3.887 4.120 0.001 0.000 0.246 958 V C 2.422 178.561 176.094 0.075 0.000 1.049 958 V CA 2.469 64.803 62.300 0.055 0.000 1.024 958 V CB -0.776 31.078 31.823 0.052 0.000 0.648 958 V HN 0.666 nan 8.190 nan 0.000 0.447 959 D N -0.059 120.423 120.400 0.136 0.000 2.116 959 D HA -0.194 4.447 4.640 0.001 0.000 0.193 959 D C 2.008 178.409 176.300 0.168 0.000 0.998 959 D CA 1.559 55.670 54.000 0.186 0.000 0.836 959 D CB -0.247 40.718 40.800 0.276 0.000 0.951 959 D HN 0.296 nan 8.370 nan 0.000 0.449 960 L N 0.539 121.815 121.223 0.089 0.000 2.042 960 L HA -0.067 4.274 4.340 0.001 0.000 0.210 960 L C 2.222 179.046 176.870 -0.076 0.000 1.076 960 L CA 2.279 57.022 54.840 -0.162 0.000 0.749 960 L CB -0.942 40.765 42.059 -0.587 0.000 0.893 960 L HN 0.059 nan 8.230 nan 0.000 0.432 961 A N -0.550 122.249 122.820 -0.035 0.000 1.933 961 A HA -0.118 4.203 4.320 0.001 0.000 0.218 961 A C 2.457 180.054 177.584 0.022 0.000 1.175 961 A CA 1.794 53.826 52.037 -0.008 0.000 0.628 961 A CB -1.134 17.869 19.000 0.005 0.000 0.814 961 A HN 0.600 nan 8.150 nan 0.000 0.444 962 A N 0.179 123.021 122.820 0.036 0.000 1.877 962 A HA -0.187 4.133 4.320 0.001 0.000 0.216 962 A C 2.099 179.715 177.584 0.055 0.000 1.186 962 A CA 1.833 53.901 52.037 0.051 0.000 0.620 962 A CB -0.490 18.547 19.000 0.061 0.000 0.822 962 A HN 0.561 nan 8.150 nan 0.000 0.443 963 K N -0.269 120.162 120.400 0.051 0.000 2.103 963 K HA -0.078 4.243 4.320 0.001 0.000 0.207 963 K C 1.839 178.460 176.600 0.036 0.000 1.048 963 K CA 1.447 57.763 56.287 0.048 0.000 0.930 963 K CB -0.458 32.075 32.500 0.055 0.000 0.716 963 K HN 0.474 nan 8.250 nan 0.000 0.444 964 L N 0.881 122.103 121.223 -0.001 0.000 2.083 964 L HA -0.174 4.167 4.340 0.001 0.000 0.209 964 L C 2.374 179.354 176.870 0.184 0.000 1.083 964 L CA 0.946 55.790 54.840 0.006 0.000 0.752 964 L CB -0.454 41.538 42.059 -0.112 0.000 0.899 964 L HN 0.154 nan 8.230 nan 0.000 0.433 965 L N -0.314 120.987 121.223 0.129 0.000 2.046 965 L HA -0.246 4.094 4.340 0.001 0.000 0.208 965 L C 2.711 179.658 176.870 0.127 0.000 1.077 965 L CA 1.445 56.367 54.840 0.136 0.000 0.747 965 L CB -0.386 41.726 42.059 0.089 0.000 0.896 965 L HN 0.207 nan 8.230 nan 0.000 0.432 966 K N -0.500 119.962 120.400 0.104 0.000 2.032 966 K HA -0.264 4.057 4.320 0.001 0.000 0.209 966 K C 2.103 178.769 176.600 0.111 0.000 1.048 966 K CA 1.476 57.816 56.287 0.089 0.000 0.927 966 K CB -0.117 32.426 32.500 0.073 0.000 0.712 966 K HN 0.063 nan 8.250 nan 0.000 0.441 967 Q N -0.081 119.814 119.800 0.158 0.000 2.508 967 Q HA -0.087 4.254 4.340 0.001 0.000 0.214 967 Q C 0.601 176.724 176.000 0.204 0.000 0.979 967 Q CA 1.325 57.254 55.803 0.209 0.000 0.911 967 Q CB -0.021 28.885 28.738 0.280 0.000 0.969 967 Q HN 0.512 nan 8.270 nan 0.000 0.504 968 G N -1.707 107.202 108.800 0.183 0.000 2.131 968 G HA2 -0.263 3.698 3.960 0.001 0.000 0.223 968 G HA3 -0.263 3.698 3.960 0.001 0.000 0.223 968 G C -0.189 174.752 174.900 0.068 0.000 0.990 968 G CA -0.033 45.123 45.100 0.093 0.000 0.671 968 G HN 0.272 nan 8.290 nan 0.000 0.521 969 F N 0.841 120.831 119.950 0.067 0.000 2.370 969 F HA 0.558 5.086 4.527 0.001 0.000 0.324 969 F C 1.076 176.924 175.800 0.080 0.000 1.116 969 F CA -0.223 57.829 58.000 0.086 0.000 1.123 969 F CB 0.846 39.901 39.000 0.091 0.000 1.238 969 F HN 0.051 nan 8.300 nan 0.000 0.536 970 E N 2.363 122.721 120.200 0.263 0.000 2.204 970 E HA 0.502 4.852 4.350 0.001 0.000 0.276 970 E C -1.196 175.540 176.600 0.227 0.000 0.974 970 E CA -0.640 55.871 56.400 0.186 0.000 0.815 970 E CB 1.643 31.416 29.700 0.123 0.000 1.119 970 E HN 0.378 nan 8.360 nan 0.000 0.393 971 L N 1.963 123.286 121.223 0.167 0.000 2.334 971 L HA 0.559 4.899 4.340 0.001 0.000 0.273 971 L C -0.463 176.486 176.870 0.131 0.000 1.013 971 L CA -1.024 53.907 54.840 0.152 0.000 0.816 971 L CB 1.391 43.508 42.059 0.098 0.000 1.278 971 L HN 0.363 nan 8.230 nan 0.000 0.431 972 D N 0.712 121.195 120.400 0.138 0.000 2.433 972 D HA 0.856 5.497 4.640 0.001 0.000 0.236 972 D C -0.893 175.423 176.300 0.027 0.000 1.026 972 D CA -0.159 53.913 54.000 0.120 0.000 0.884 972 D CB 2.369 43.321 40.800 0.253 0.000 1.384 972 D HN 0.731 nan 8.370 nan 0.000 0.477 973 A N 0.058 122.887 122.820 0.014 0.000 2.610 973 A HA 0.713 5.034 4.320 0.001 0.000 0.291 973 A C -0.557 177.021 177.584 -0.010 0.000 1.086 973 A CA -0.788 51.237 52.037 -0.021 0.000 0.677 973 A CB 1.099 20.085 19.000 -0.022 0.000 1.278 973 A HN 0.459 nan 8.150 nan 0.000 0.414 974 T N -1.710 112.835 114.554 -0.015 0.000 2.918 974 T HA 0.449 4.800 4.350 0.001 0.000 0.283 974 T C 1.069 175.805 174.700 0.059 0.000 1.001 974 T CA 0.473 62.583 62.100 0.017 0.000 1.041 974 T CB 0.844 69.710 68.868 -0.002 0.000 1.028 974 T HN 0.839 nan 8.240 nan 0.000 0.511 975 H N 2.086 121.145 119.070 -0.018 0.000 2.280 975 H HA -0.263 4.294 4.556 0.001 0.000 0.284 975 H C 2.380 177.705 175.328 -0.005 0.000 1.108 975 H CA 3.005 59.049 56.048 -0.007 0.000 1.163 975 H CB -0.898 28.862 29.762 -0.002 0.000 1.358 975 H HN 0.860 nan 8.280 nan 0.000 0.505 976 G N -1.692 107.266 108.800 0.264 0.000 2.529 976 G HA2 -0.357 3.604 3.960 0.001 0.000 0.219 976 G HA3 -0.357 3.604 3.960 0.001 0.000 0.219 976 G C 1.767 176.704 174.900 0.062 0.000 1.177 976 G CA 1.692 46.888 45.100 0.160 0.000 0.773 976 G HN 0.527 nan 8.290 nan 0.000 0.573 977 T N 1.567 116.141 114.554 0.033 0.000 2.777 977 T HA 0.066 4.417 4.350 0.001 0.000 0.266 977 T C 2.819 177.513 174.700 -0.011 0.000 1.040 977 T CA 1.561 63.663 62.100 0.003 0.000 1.141 977 T CB -0.429 68.431 68.868 -0.013 0.000 0.868 977 T HN 0.407 nan 8.240 nan 0.000 0.444 978 A N 1.559 124.363 122.820 -0.026 0.000 1.940 978 A HA -0.059 4.262 4.320 0.001 0.000 0.219 978 A C 2.243 179.787 177.584 -0.067 0.000 1.176 978 A CA 1.042 53.048 52.037 -0.052 0.000 0.631 978 A CB -0.695 18.260 19.000 -0.076 0.000 0.814 978 A HN 0.392 nan 8.150 nan 0.000 0.446 979 I N -0.107 120.414 120.570 -0.081 0.000 2.076 979 I HA -0.226 3.945 4.170 0.001 0.000 0.237 979 I C 2.532 178.635 176.117 -0.023 0.000 1.059 979 I CA 1.567 62.828 61.300 -0.065 0.000 1.317 979 I CB -1.390 36.592 38.000 -0.029 0.000 1.037 979 I HN 0.173 nan 8.210 nan 0.000 0.398 980 V N 1.340 121.252 119.914 -0.004 0.000 2.317 980 V HA -0.306 3.814 4.120 0.001 0.000 0.251 980 V C 2.640 178.736 176.094 0.003 0.000 1.065 980 V CA 1.790 64.093 62.300 0.005 0.000 1.049 980 V CB -0.725 31.105 31.823 0.013 0.000 0.651 980 V HN 0.362 nan 8.190 nan 0.000 0.450 981 L N 0.256 121.478 121.223 -0.002 0.000 2.046 981 L HA -0.106 4.235 4.340 0.001 0.000 0.208 981 L C 2.701 179.571 176.870 0.000 0.000 1.077 981 L CA 1.811 56.652 54.840 0.002 0.000 0.747 981 L CB -1.237 40.822 42.059 -0.000 0.000 0.896 981 L HN 0.483 nan 8.230 nan 0.000 0.432 982 G N -0.487 108.307 108.800 -0.010 0.000 2.442 982 G HA2 -0.231 3.729 3.960 0.001 0.000 0.219 982 G HA3 -0.231 3.729 3.960 0.001 0.000 0.219 982 G C 1.393 176.290 174.900 -0.004 0.000 1.141 982 G CA 0.463 45.556 45.100 -0.011 0.000 0.763 982 G HN 0.416 nan 8.290 nan 0.000 0.554 983 E N 0.451 120.649 120.200 -0.002 0.000 2.338 983 E HA 0.022 4.372 4.350 0.001 0.000 0.197 983 E C 2.435 179.039 176.600 0.008 0.000 1.007 983 E CA 0.655 57.056 56.400 0.003 0.000 0.849 983 E CB -0.005 29.698 29.700 0.005 0.000 0.774 983 E HN 0.465 nan 8.360 nan 0.000 0.506 984 A N 0.125 122.951 122.820 0.010 0.000 2.348 984 A HA 0.375 4.696 4.320 0.001 0.000 0.224 984 A C 1.511 179.104 177.584 0.015 0.000 1.227 984 A CA 0.619 52.665 52.037 0.015 0.000 0.885 984 A CB 0.299 19.311 19.000 0.020 0.000 0.933 984 A HN 0.250 nan 8.150 nan 0.000 0.506 985 G N -0.630 108.176 108.800 0.011 0.000 2.130 985 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 985 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 985 G C -0.109 174.800 174.900 0.014 0.000 0.999 985 G CA 0.195 45.302 45.100 0.012 0.000 0.686 985 G HN 0.447 nan 8.290 nan 0.000 0.515 986 I N 0.718 121.296 120.570 0.014 0.000 2.389 986 I HA 0.310 4.481 4.170 0.001 0.000 0.288 986 I C -0.138 175.985 176.117 0.011 0.000 0.999 986 I CA -0.675 60.635 61.300 0.017 0.000 1.129 986 I CB 1.617 39.630 38.000 0.022 0.000 1.288 986 I HN 0.104 nan 8.210 nan 0.000 0.444 987 N N 8.105 126.813 118.700 0.014 0.000 2.707 987 N HA 0.330 5.071 4.740 0.001 0.000 0.235 987 N C -2.412 173.107 175.510 0.017 0.000 1.028 987 N CA -1.315 51.740 53.050 0.008 0.000 0.906 987 N CB 0.983 39.473 38.487 0.006 0.000 1.131 987 N HN 0.373 nan 8.380 nan 0.000 0.509 988 P HA 0.084 nan 4.420 nan 0.000 0.274 988 P C -0.598 176.718 177.300 0.026 0.000 1.256 988 P CA -0.448 62.670 63.100 0.029 0.000 0.795 988 P CB 1.057 32.770 31.700 0.021 0.000 1.038 989 R N 1.082 121.608 120.500 0.044 0.000 2.265 989 R HA 0.311 4.651 4.340 0.001 0.000 0.314 989 R C -0.356 175.968 176.300 0.039 0.000 1.053 989 R CA -0.721 55.402 56.100 0.039 0.000 0.931 989 R CB -0.011 30.318 30.300 0.050 0.000 1.024 989 R HN 0.389 nan 8.270 nan 0.000 0.457 990 L N 5.620 126.854 121.223 0.019 0.000 2.410 990 L HA 0.231 4.571 4.340 0.001 0.000 0.273 990 L C -0.776 176.115 176.870 0.035 0.000 1.152 990 L CA 0.270 55.118 54.840 0.014 0.000 0.855 990 L CB 1.352 43.403 42.059 -0.013 0.000 1.129 990 L HN 0.506 nan 8.230 nan 0.000 0.463 991 V N 5.722 125.663 119.914 0.045 0.000 2.864 991 V HA 0.528 4.649 4.120 0.001 0.000 0.314 991 V C -0.304 175.817 176.094 0.045 0.000 1.073 991 V CA -0.739 61.598 62.300 0.062 0.000 0.956 991 V CB 2.260 34.143 31.823 0.101 0.000 1.023 991 V HN 0.992 nan 8.190 nan 0.000 0.435 992 N N 3.317 122.048 118.700 0.050 0.000 2.498 992 N HA 0.400 5.141 4.740 0.001 0.000 0.287 992 N C -0.800 174.706 175.510 -0.007 0.000 1.097 992 N CA -0.621 52.443 53.050 0.023 0.000 0.973 992 N CB 1.220 39.727 38.487 0.034 0.000 1.153 992 N HN 0.628 nan 8.380 nan 0.000 0.472 993 K N 0.514 120.831 120.400 -0.138 0.000 2.286 993 K HA 0.034 4.354 4.320 0.001 0.000 0.256 993 K C 0.875 177.323 176.600 -0.253 0.000 0.999 993 K CA -0.376 55.740 56.287 -0.284 0.000 0.908 993 K CB 0.607 32.764 32.500 -0.571 0.000 0.981 993 K HN 0.241 nan 8.250 nan 0.000 0.500 994 V N 1.624 121.380 119.914 -0.263 0.000 2.343 994 V HA -0.275 3.846 4.120 0.001 0.000 0.247 994 V C 2.029 178.133 176.094 0.017 0.000 1.051 994 V CA 2.290 64.484 62.300 -0.176 0.000 1.036 994 V CB -1.055 30.606 31.823 -0.270 0.000 0.654 994 V HN 0.869 nan 8.190 nan 0.000 0.451 995 H N 0.301 119.383 119.070 0.019 0.000 2.489 995 H HA -0.083 4.474 4.556 0.001 0.000 0.293 995 H C 1.845 177.196 175.328 0.038 0.000 1.066 995 H CA 1.610 57.673 56.048 0.025 0.000 1.305 995 H CB -0.529 29.231 29.762 -0.003 0.000 1.386 995 H HN 0.513 nan 8.280 nan 0.000 0.551 996 E N 0.508 120.605 120.200 -0.171 0.000 2.427 996 E HA 0.219 4.569 4.350 0.001 0.000 0.196 996 E C 0.627 177.235 176.600 0.014 0.000 1.028 996 E CA 0.314 56.685 56.400 -0.048 0.000 0.864 996 E CB 0.359 29.990 29.700 -0.115 0.000 0.813 996 E HN 0.677 nan 8.360 nan 0.000 0.514 997 G N 0.606 109.431 108.800 0.042 0.000 2.351 997 G HA2 0.072 4.033 3.960 0.001 0.000 0.353 997 G HA3 0.072 4.033 3.960 0.001 0.000 0.353 997 G C -1.618 173.270 174.900 -0.019 0.000 1.358 997 G CA -1.102 44.011 45.100 0.023 0.000 0.995 997 G HN 0.015 nan 8.290 nan 0.000 0.611 998 R N 0.481 120.935 120.500 -0.076 0.000 2.621 998 R HA 0.745 5.086 4.340 0.001 0.000 0.292 998 R C -2.079 174.146 176.300 -0.124 0.000 0.969 998 R CA -1.231 54.759 56.100 -0.183 0.000 0.887 998 R CB 1.399 31.581 30.300 -0.196 0.000 1.180 998 R HN 0.593 nan 8.270 nan 0.000 0.450 999 P HA 0.198 nan 4.420 nan 0.000 0.274 999 P C -1.129 176.096 177.300 -0.126 0.000 1.231 999 P CA -0.226 62.742 63.100 -0.220 0.000 0.790 999 P CB 0.586 32.202 31.700 -0.140 0.000 0.951 1000 H N -1.484 117.578 119.070 -0.013 0.000 2.869 1000 H HA 0.440 4.997 4.556 0.001 0.000 0.342 1000 H C 0.934 176.268 175.328 0.010 0.000 1.250 1000 H CA -1.056 54.983 56.048 -0.015 0.000 1.217 1000 H CB 0.912 30.651 29.762 -0.038 0.000 1.917 1000 H HN 0.079 nan 8.280 nan 0.000 0.586 1001 I N -0.032 120.662 120.570 0.207 0.000 2.091 1001 I HA -0.361 3.810 4.170 0.001 0.000 0.240 1001 I C 2.893 179.091 176.117 0.136 0.000 1.046 1001 I CA 1.789 63.165 61.300 0.126 0.000 1.306 1001 I CB -0.396 37.587 38.000 -0.027 0.000 1.018 1001 I HN 0.667 nan 8.210 nan 0.000 0.404 1002 Q N 0.895 120.695 119.800 -0.001 0.000 2.077 1002 Q HA -0.272 4.068 4.340 0.001 0.000 0.206 1002 Q C 1.757 177.831 176.000 0.124 0.000 0.989 1002 Q CA 2.117 57.919 55.803 -0.001 0.000 0.853 1002 Q CB -0.401 28.224 28.738 -0.189 0.000 0.907 1002 Q HN 0.512 nan 8.270 nan 0.000 0.418 1003 D N -0.076 120.527 120.400 0.338 0.000 2.123 1003 D HA -0.163 4.478 4.640 0.001 0.000 0.196 1003 D C 2.102 178.405 176.300 0.005 0.000 0.992 1003 D CA 1.049 55.121 54.000 0.119 0.000 0.833 1003 D CB -0.092 40.714 40.800 0.011 0.000 0.954 1003 D HN 0.308 nan 8.370 nan 0.000 0.455 1004 R N 0.148 120.686 120.500 0.062 0.000 2.075 1004 R HA -0.028 4.312 4.340 0.001 0.000 0.232 1004 R C 2.624 178.885 176.300 -0.065 0.000 1.126 1004 R CA 0.548 56.628 56.100 -0.033 0.000 0.963 1004 R CB -0.251 30.057 30.300 0.013 0.000 0.858 1004 R HN 0.226 nan 8.270 nan 0.000 0.435 1005 I N 1.203 121.831 120.570 0.097 0.000 2.179 1005 I HA -0.325 3.846 4.170 0.001 0.000 0.242 1005 I C 2.634 178.602 176.117 -0.247 0.000 1.088 1005 I CA 1.413 62.763 61.300 0.082 0.000 1.357 1005 I CB -0.238 37.828 38.000 0.110 0.000 1.051 1005 I HN 0.131 nan 8.210 nan 0.000 0.409 1006 K N 1.342 121.481 120.400 -0.434 0.000 2.103 1006 K HA -0.212 4.109 4.320 0.001 0.000 0.207 1006 K C 1.587 177.861 176.600 -0.543 0.000 1.048 1006 K CA 2.157 57.878 56.287 -0.943 0.000 0.930 1006 K CB -0.247 31.872 32.500 -0.635 0.000 0.716 1006 K HN 0.390 nan 8.250 nan 0.000 0.444 1007 N N -0.772 117.760 118.700 -0.280 0.000 2.459 1007 N HA -0.001 4.740 4.740 0.001 0.000 0.181 1007 N C 0.674 176.094 175.510 -0.150 0.000 1.046 1007 N CA 0.705 53.645 53.050 -0.183 0.000 0.904 1007 N CB 0.316 38.723 38.487 -0.133 0.000 0.964 1007 N HN 0.487 nan 8.380 nan 0.000 0.444 1008 G N 0.570 109.274 108.800 -0.159 0.000 2.148 1008 G HA2 -0.228 3.733 3.960 0.001 0.000 0.203 1008 G HA3 -0.228 3.733 3.960 0.001 0.000 0.203 1008 G C 0.593 175.420 174.900 -0.122 0.000 0.993 1008 G CA -0.038 45.012 45.100 -0.083 0.000 0.661 1008 G HN 0.324 nan 8.290 nan 0.000 0.518 1009 E N -1.034 119.002 120.200 -0.273 0.000 2.265 1009 E HA -0.051 4.300 4.350 0.001 0.000 0.196 1009 E C 0.287 176.579 176.600 -0.513 0.000 0.996 1009 E CA 0.935 57.057 56.400 -0.463 0.000 0.832 1009 E CB 0.052 29.306 29.700 -0.743 0.000 0.756 1009 E HN 0.688 nan 8.360 nan 0.000 0.491 1010 Y N -0.369 119.958 120.300 0.045 0.000 2.487 1010 Y HA 0.164 4.715 4.550 0.001 0.000 0.337 1010 Y C 1.370 177.343 175.900 0.122 0.000 1.076 1010 Y CA -0.589 57.563 58.100 0.088 0.000 1.115 1010 Y CB 1.744 40.242 38.460 0.064 0.000 1.235 1010 Y HN -0.180 nan 8.280 nan 0.000 0.468 1011 T N -2.546 112.238 114.554 0.383 0.000 3.043 1011 T HA 0.273 4.624 4.350 0.001 0.000 0.272 1011 T C -0.907 174.070 174.700 0.461 0.000 0.990 1011 T CA -0.088 62.202 62.100 0.317 0.000 0.897 1011 T CB -0.232 68.739 68.868 0.172 0.000 1.111 1011 T HN 0.493 nan 8.240 nan 0.000 0.529 1012 Y N 0.252 120.722 120.300 0.284 0.000 2.474 1012 Y HA 0.626 5.176 4.550 0.001 0.000 0.326 1012 Y C -2.436 173.501 175.900 0.061 0.000 1.160 1012 Y CA -2.425 55.781 58.100 0.177 0.000 1.056 1012 Y CB 1.310 39.800 38.460 0.051 0.000 1.330 1012 Y HN 0.201 nan 8.280 nan 0.000 0.447 1013 I N 7.137 127.220 120.570 -0.812 0.000 2.534 1013 I HA 0.465 4.636 4.170 0.001 0.000 0.288 1013 I C -1.389 174.169 176.117 -0.930 0.000 1.077 1013 I CA -0.935 59.917 61.300 -0.747 0.000 1.051 1013 I CB 2.213 39.991 38.000 -0.370 0.000 1.234 1013 I HN 0.569 nan 8.210 nan 0.000 0.425 1014 I N 6.914 127.073 120.570 -0.686 0.000 2.411 1014 I HA 0.392 4.562 4.170 0.001 0.000 0.284 1014 I C -0.997 174.984 176.117 -0.227 0.000 1.012 1014 I CA 0.188 61.253 61.300 -0.391 0.000 1.119 1014 I CB 0.914 38.750 38.000 -0.273 0.000 1.261 1014 I HN 0.605 nan 8.210 nan 0.000 0.448 1015 N N 5.633 124.249 118.700 -0.140 0.000 2.540 1015 N HA 0.352 5.092 4.740 0.001 0.000 0.275 1015 N C -1.194 174.289 175.510 -0.045 0.000 1.053 1015 N CA -0.299 52.690 53.050 -0.102 0.000 0.876 1015 N CB 1.130 39.543 38.487 -0.123 0.000 1.284 1015 N HN 0.677 nan 8.380 nan 0.000 0.518 1016 T N 0.308 114.840 114.554 -0.036 0.000 2.888 1016 T HA 0.674 5.025 4.350 0.001 0.000 0.284 1016 T C -0.091 174.600 174.700 -0.014 0.000 1.017 1016 T CA -0.431 61.666 62.100 -0.005 0.000 1.022 1016 T CB 1.761 70.637 68.868 0.014 0.000 1.013 1016 T HN 0.437 nan 8.240 nan 0.000 0.465 1017 T N -0.990 113.561 114.554 -0.005 0.000 2.932 1017 T HA 0.680 5.031 4.350 0.001 0.000 0.318 1017 T C -0.916 173.774 174.700 -0.016 0.000 1.265 1017 T CA -0.801 61.286 62.100 -0.021 0.000 1.036 1017 T CB 1.722 70.573 68.868 -0.029 0.000 1.209 1017 T HN 0.703 nan 8.240 nan 0.000 0.484 1018 S N 0.455 116.119 115.700 -0.061 0.000 2.571 1018 S HA 0.839 5.309 4.470 0.001 0.000 0.284 1018 S C -0.030 174.423 174.600 -0.244 0.000 1.128 1018 S CA 0.431 58.562 58.200 -0.115 0.000 0.970 1018 S CB 0.922 64.030 63.200 -0.153 0.000 1.039 1018 S HN 2.220 nan 8.310 nan 0.000 0.485 1019 G N 3.080 111.734 108.800 -0.243 0.000 3.322 1019 G HA2 -0.131 3.829 3.960 0.001 0.000 0.686 1019 G HA3 -0.131 3.829 3.960 0.001 0.000 0.686 1019 G C 0.132 175.003 174.900 -0.048 0.000 1.015 1019 G CA 0.065 45.030 45.100 -0.225 0.000 0.826 1019 G HN 0.816 nan 8.290 nan 0.000 0.538 1020 R N 1.524 122.047 120.500 0.038 0.000 2.234 1020 R HA -0.281 4.060 4.340 0.001 0.000 0.262 1020 R C 2.501 178.802 176.300 0.002 0.000 1.150 1020 R CA 3.134 59.253 56.100 0.032 0.000 0.981 1020 R CB -0.214 30.120 30.300 0.058 0.000 0.899 1020 R HN 0.763 nan 8.270 nan 0.000 0.458 1021 R N -0.776 119.715 120.500 -0.014 0.000 2.052 1021 R HA 0.023 4.363 4.340 0.001 0.000 0.226 1021 R C 2.180 178.460 176.300 -0.034 0.000 1.145 1021 R CA 1.475 57.561 56.100 -0.024 0.000 0.952 1021 R CB -0.592 29.689 30.300 -0.031 0.000 0.847 1021 R HN 0.264 nan 8.270 nan 0.000 0.431 1022 A N 1.342 124.133 122.820 -0.048 0.000 1.927 1022 A HA -0.219 4.102 4.320 0.001 0.000 0.220 1022 A C 2.229 179.790 177.584 -0.039 0.000 1.185 1022 A CA 1.947 53.955 52.037 -0.049 0.000 0.639 1022 A CB -0.810 18.147 19.000 -0.070 0.000 0.820 1022 A HN 0.460 nan 8.150 nan 0.000 0.451 1023 I N -0.530 120.019 120.570 -0.035 0.000 2.076 1023 I HA -0.313 3.858 4.170 0.001 0.000 0.237 1023 I C 2.564 178.662 176.117 -0.030 0.000 1.059 1023 I CA 2.048 63.331 61.300 -0.029 0.000 1.317 1023 I CB -0.598 37.394 38.000 -0.015 0.000 1.037 1023 I HN 0.459 nan 8.210 nan 0.000 0.398 1024 E N 0.594 120.780 120.200 -0.023 0.000 2.171 1024 E HA -0.273 4.077 4.350 0.001 0.000 0.197 1024 E C 1.622 178.207 176.600 -0.025 0.000 0.997 1024 E CA 1.781 58.168 56.400 -0.022 0.000 0.810 1024 E CB -0.247 29.444 29.700 -0.015 0.000 0.738 1024 E HN 0.579 nan 8.360 nan 0.000 0.467 1025 D N 0.081 120.465 120.400 -0.025 0.000 2.123 1025 D HA -0.092 4.549 4.640 0.001 0.000 0.200 1025 D C 1.841 178.129 176.300 -0.020 0.000 0.976 1025 D CA 1.437 55.426 54.000 -0.018 0.000 0.831 1025 D CB 0.046 40.837 40.800 -0.016 0.000 0.974 1025 D HN 0.094 nan 8.370 nan 0.000 0.469 1026 S N -0.027 115.652 115.700 -0.034 0.000 2.603 1026 S HA 0.022 4.492 4.470 0.001 0.000 0.220 1026 S C 1.659 176.214 174.600 -0.076 0.000 0.967 1026 S CA -0.252 57.916 58.200 -0.054 0.000 0.920 1026 S CB 0.019 63.185 63.200 -0.057 0.000 0.773 1026 S HN 0.142 nan 8.310 nan 0.000 0.529 1027 R N 1.456 121.917 120.500 -0.065 0.000 2.119 1027 R HA -0.131 4.209 4.340 0.001 0.000 0.246 1027 R C 2.221 178.464 176.300 -0.096 0.000 1.146 1027 R CA 1.767 57.821 56.100 -0.077 0.000 0.962 1027 R CB -0.788 29.479 30.300 -0.054 0.000 0.863 1027 R HN 0.409 nan 8.270 nan 0.000 0.442 1028 V N 0.917 120.780 119.914 -0.085 0.000 2.380 1028 V HA -0.240 3.880 4.120 0.001 0.000 0.251 1028 V C 2.038 178.063 176.094 -0.116 0.000 1.063 1028 V CA 2.085 64.331 62.300 -0.091 0.000 1.055 1028 V CB -0.261 31.505 31.823 -0.095 0.000 0.657 1028 V HN 0.386 nan 8.190 nan 0.000 0.455 1029 I N -0.235 120.251 120.570 -0.139 0.000 2.179 1029 I HA -0.208 3.963 4.170 0.001 0.000 0.242 1029 I C 2.882 178.844 176.117 -0.258 0.000 1.088 1029 I CA 2.046 63.241 61.300 -0.175 0.000 1.357 1029 I CB -0.474 37.417 38.000 -0.182 0.000 1.051 1029 I HN 0.244 nan 8.210 nan 0.000 0.409 1030 R N 0.388 120.713 120.500 -0.291 0.000 2.066 1030 R HA -0.067 4.274 4.340 0.001 0.000 0.232 1030 R C 2.508 178.582 176.300 -0.377 0.000 1.131 1030 R CA 1.075 56.899 56.100 -0.460 0.000 0.955 1030 R CB -0.301 29.808 30.300 -0.319 0.000 0.851 1030 R HN 0.326 nan 8.270 nan 0.000 0.432 1031 R N 0.312 120.685 120.500 -0.212 0.000 2.094 1031 R HA -0.113 4.228 4.340 0.001 0.000 0.239 1031 R C 2.456 178.689 176.300 -0.112 0.000 1.137 1031 R CA 1.978 57.995 56.100 -0.137 0.000 0.943 1031 R CB -0.470 29.782 30.300 -0.080 0.000 0.850 1031 R HN 0.145 nan 8.270 nan 0.000 0.433 1032 S N 0.909 116.568 115.700 -0.068 0.000 2.365 1032 S HA -0.215 4.255 4.470 0.001 0.000 0.225 1032 S C 2.150 176.808 174.600 0.098 0.000 1.039 1032 S CA 1.403 59.647 58.200 0.073 0.000 1.033 1032 S CB -0.365 62.889 63.200 0.090 0.000 0.887 1032 S HN 0.520 nan 8.310 nan 0.000 0.447 1033 A N 1.358 124.114 122.820 -0.105 0.000 1.883 1033 A HA -0.103 4.218 4.320 0.001 0.000 0.217 1033 A C 2.174 179.733 177.584 -0.042 0.000 1.186 1033 A CA 1.683 53.637 52.037 -0.138 0.000 0.624 1033 A CB -0.825 17.843 19.000 -0.554 0.000 0.822 1033 A HN 0.410 nan 8.150 nan 0.000 0.444 1034 L N -0.266 120.876 121.223 -0.135 0.000 1.994 1034 L HA -0.207 4.134 4.340 0.001 0.000 0.208 1034 L C 2.627 179.496 176.870 -0.002 0.000 1.071 1034 L CA 2.716 57.584 54.840 0.045 0.000 0.745 1034 L CB -0.734 41.365 42.059 0.066 0.000 0.892 1034 L HN 0.621 nan 8.230 nan 0.000 0.431 1035 Q N -1.649 118.085 119.800 -0.110 0.000 2.181 1035 Q HA -0.251 4.089 4.340 0.001 0.000 0.205 1035 Q C 1.578 177.311 176.000 -0.446 0.000 0.980 1035 Q CA 2.024 57.647 55.803 -0.300 0.000 0.862 1035 Q CB -0.226 28.247 28.738 -0.441 0.000 0.905 1035 Q HN 0.699 nan 8.270 nan 0.000 0.429 1036 Y N 0.118 120.434 120.300 0.027 0.000 2.466 1036 Y HA 0.149 4.699 4.550 0.001 0.000 0.272 1036 Y C 0.198 176.140 175.900 0.071 0.000 1.169 1036 Y CA 0.063 58.190 58.100 0.045 0.000 1.285 1036 Y CB 0.762 39.249 38.460 0.045 0.000 1.078 1036 Y HN -0.025 nan 8.280 nan 0.000 0.523 1037 K N -1.283 119.208 120.400 0.152 0.000 3.339 1037 K HA -0.142 4.179 4.320 0.001 0.000 0.299 1037 K C -0.674 176.055 176.600 0.214 0.000 1.270 1037 K CA 0.429 56.815 56.287 0.166 0.000 0.875 1037 K CB -2.538 30.043 32.500 0.135 0.000 1.298 1037 K HN 0.123 nan 8.250 nan 0.000 0.485 1038 V N 1.891 121.947 119.914 0.238 0.000 2.432 1038 V HA 0.110 4.231 4.120 0.001 0.000 0.275 1038 V C 0.841 177.138 176.094 0.338 0.000 1.043 1038 V CA -0.617 61.843 62.300 0.266 0.000 0.925 1038 V CB 1.009 32.970 31.823 0.230 0.000 0.985 1038 V HN 0.296 nan 8.190 nan 0.000 0.466 1039 H N 5.326 124.563 119.070 0.277 0.000 3.001 1039 H HA 0.258 4.815 4.556 0.001 0.000 0.334 1039 H C -0.605 174.951 175.328 0.381 0.000 1.034 1039 H CA 0.381 56.606 56.048 0.295 0.000 1.420 1039 H CB 0.118 30.039 29.762 0.264 0.000 1.405 1039 H HN 0.668 nan 8.280 nan 0.000 0.593 1040 Y N 1.244 121.139 120.300 -0.675 0.000 2.562 1040 Y HA 0.464 5.015 4.550 0.001 0.000 0.345 1040 Y C -1.412 174.254 175.900 -0.389 0.000 1.045 1040 Y CA -1.364 56.474 58.100 -0.437 0.000 1.028 1040 Y CB 1.400 39.696 38.460 -0.273 0.000 1.297 1040 Y HN 0.423 nan 8.280 nan 0.000 0.463 1041 D N 1.115 121.454 120.400 -0.102 0.000 2.252 1041 D HA 0.287 4.928 4.640 0.001 0.000 0.245 1041 D C 0.273 176.588 176.300 0.025 0.000 1.009 1041 D CA -0.370 53.614 54.000 -0.025 0.000 0.870 1041 D CB 2.181 43.071 40.800 0.151 0.000 1.251 1041 D HN 0.820 nan 8.370 nan 0.000 0.460 1042 T N -3.125 111.454 114.554 0.040 0.000 3.085 1042 T HA 0.172 4.523 4.350 0.001 0.000 0.264 1042 T C 0.560 175.299 174.700 0.066 0.000 1.019 1042 T CA -0.178 61.964 62.100 0.071 0.000 0.910 1042 T CB -0.065 68.864 68.868 0.101 0.000 1.059 1042 T HN 0.422 nan 8.240 nan 0.000 0.542 1043 T N -0.837 113.762 114.554 0.076 0.000 2.900 1043 T HA 0.629 4.980 4.350 0.001 0.000 0.295 1043 T C 0.531 175.287 174.700 0.093 0.000 1.044 1043 T CA -0.880 61.277 62.100 0.095 0.000 0.995 1043 T CB 1.773 70.716 68.868 0.126 0.000 1.072 1043 T HN -0.104 nan 8.240 nan 0.000 0.473 1044 L N 1.936 123.222 121.223 0.105 0.000 2.093 1044 L HA 0.093 4.434 4.340 0.001 0.000 0.208 1044 L C 2.161 179.171 176.870 0.234 0.000 1.085 1044 L CA 1.619 56.523 54.840 0.107 0.000 0.755 1044 L CB -1.126 41.029 42.059 0.160 0.000 0.904 1044 L HN 0.703 nan 8.230 nan 0.000 0.435 1045 N N -0.285 118.571 118.700 0.259 0.000 2.166 1045 N HA -0.127 4.613 4.740 0.001 0.000 0.186 1045 N C 1.790 177.436 175.510 0.227 0.000 1.019 1045 N CA 1.328 54.554 53.050 0.292 0.000 0.856 1045 N CB -0.667 37.950 38.487 0.217 0.000 0.993 1045 N HN 0.454 nan 8.380 nan 0.000 0.426 1046 G N -0.041 108.862 108.800 0.172 0.000 2.404 1046 G HA2 -0.140 3.821 3.960 0.001 0.000 0.215 1046 G HA3 -0.140 3.821 3.960 0.001 0.000 0.215 1046 G C 1.630 176.593 174.900 0.104 0.000 1.174 1046 G CA 0.961 46.150 45.100 0.148 0.000 0.780 1046 G HN 0.417 nan 8.290 nan 0.000 0.537 1047 G N 0.433 109.283 108.800 0.084 0.000 2.469 1047 G HA2 -0.198 3.763 3.960 0.001 0.000 0.219 1047 G HA3 -0.198 3.763 3.960 0.001 0.000 0.219 1047 G C 1.606 176.431 174.900 -0.124 0.000 1.150 1047 G CA 0.846 45.959 45.100 0.021 0.000 0.763 1047 G HN 0.326 nan 8.290 nan 0.000 0.561 1048 F N 1.632 121.582 119.950 -0.001 0.000 2.146 1048 F HA 0.084 4.612 4.527 0.001 0.000 0.298 1048 F C 3.017 178.746 175.800 -0.118 0.000 1.096 1048 F CA 0.926 58.903 58.000 -0.039 0.000 1.275 1048 F CB -0.484 38.509 39.000 -0.011 0.000 1.008 1048 F HN 0.240 nan 8.300 nan 0.000 0.480 1049 A N -0.847 121.939 122.820 -0.056 0.000 1.969 1049 A HA -0.146 4.175 4.320 0.001 0.000 0.218 1049 A C 2.229 179.483 177.584 -0.550 0.000 1.169 1049 A CA 2.111 53.856 52.037 -0.488 0.000 0.635 1049 A CB -1.235 17.087 19.000 -1.129 0.000 0.810 1049 A HN 0.343 nan 8.150 nan 0.000 0.445 1050 T N 0.249 114.641 114.554 -0.270 0.000 2.708 1050 T HA -0.021 4.329 4.350 0.001 0.000 0.266 1050 T C 2.265 176.869 174.700 -0.161 0.000 1.037 1050 T CA 1.547 63.580 62.100 -0.111 0.000 1.146 1050 T CB -0.452 68.349 68.868 -0.111 0.000 0.865 1050 T HN 0.599 nan 8.240 nan 0.000 0.435 1051 A N 1.509 124.227 122.820 -0.171 0.000 1.883 1051 A HA -0.135 4.186 4.320 0.001 0.000 0.217 1051 A C 2.347 179.905 177.584 -0.044 0.000 1.186 1051 A CA 1.795 53.753 52.037 -0.132 0.000 0.624 1051 A CB -0.770 18.174 19.000 -0.092 0.000 0.822 1051 A HN 0.467 nan 8.150 nan 0.000 0.444 1052 M N -0.682 118.915 119.600 -0.005 0.000 2.149 1052 M HA -0.194 4.287 4.480 0.001 0.000 0.261 1052 M C 2.465 178.775 176.300 0.017 0.000 1.064 1052 M CA 1.438 56.759 55.300 0.036 0.000 1.102 1052 M CB -0.410 32.249 32.600 0.098 0.000 1.369 1052 M HN 0.511 nan 8.290 nan 0.000 0.408 1053 A N 0.244 123.062 122.820 -0.005 0.000 2.019 1053 A HA -0.110 4.210 4.320 0.001 0.000 0.219 1053 A C 2.029 179.608 177.584 -0.007 0.000 1.164 1053 A CA 1.160 53.208 52.037 0.018 0.000 0.644 1053 A CB -0.887 18.184 19.000 0.118 0.000 0.805 1053 A HN 0.476 nan 8.150 nan 0.000 0.449 1054 L N -0.515 120.697 121.223 -0.017 0.000 2.261 1054 L HA -0.243 4.098 4.340 0.001 0.000 0.216 1054 L C 2.076 178.956 176.870 0.016 0.000 1.114 1054 L CA 1.550 56.390 54.840 0.000 0.000 0.777 1054 L CB -0.593 41.475 42.059 0.014 0.000 0.910 1054 L HN 0.525 nan 8.230 nan 0.000 0.440 1055 N N -0.429 118.281 118.700 0.016 0.000 2.300 1055 N HA 0.026 4.767 4.740 0.001 0.000 0.179 1055 N C 0.875 176.390 175.510 0.009 0.000 1.016 1055 N CA 0.415 53.477 53.050 0.021 0.000 0.876 1055 N CB 0.069 38.574 38.487 0.030 0.000 0.979 1055 N HN 0.279 nan 8.380 nan 0.000 0.432 1056 A N 0.600 123.419 122.820 -0.002 0.000 2.249 1056 A HA 0.290 4.611 4.320 0.001 0.000 0.281 1056 A C -0.534 177.029 177.584 -0.035 0.000 1.127 1056 A CA -0.086 51.942 52.037 -0.015 0.000 0.833 1056 A CB 0.423 19.410 19.000 -0.022 0.000 1.140 1056 A HN 0.132 nan 8.150 nan 0.000 0.502 1057 D N -1.360 119.012 120.400 -0.047 0.000 2.473 1057 D HA 0.538 5.179 4.640 0.001 0.000 0.253 1057 D C 0.553 176.799 176.300 -0.091 0.000 1.233 1057 D CA 0.232 54.189 54.000 -0.072 0.000 0.908 1057 D CB 1.228 41.987 40.800 -0.069 0.000 1.170 1057 D HN 0.466 nan 8.370 nan 0.000 0.558 1058 A N 2.487 125.234 122.820 -0.122 0.000 2.019 1058 A HA -0.099 4.221 4.320 0.001 0.000 0.219 1058 A C 1.882 179.375 177.584 -0.153 0.000 1.164 1058 A CA 1.940 53.893 52.037 -0.139 0.000 0.644 1058 A CB -0.594 18.306 19.000 -0.166 0.000 0.805 1058 A HN 0.614 nan 8.150 nan 0.000 0.449 1059 T N -3.037 111.410 114.554 -0.178 0.000 3.129 1059 T HA 0.077 4.428 4.350 0.001 0.000 0.251 1059 T C 1.429 176.047 174.700 -0.137 0.000 1.117 1059 T CA 0.960 62.947 62.100 -0.188 0.000 1.034 1059 T CB 0.022 68.745 68.868 -0.241 0.000 0.968 1059 T HN 0.595 nan 8.240 nan 0.000 0.526 1060 E N 1.304 121.442 120.200 -0.104 0.000 2.028 1060 E HA -0.014 4.337 4.350 0.001 0.000 0.191 1060 E C 0.697 177.260 176.600 -0.062 0.000 0.988 1060 E CA 0.747 57.103 56.400 -0.072 0.000 0.799 1060 E CB 0.211 29.881 29.700 -0.051 0.000 0.755 1060 E HN 0.417 nan 8.360 nan 0.000 0.447 1061 K N 0.313 120.677 120.400 -0.060 0.000 2.482 1061 K HA 0.274 4.595 4.320 0.001 0.000 0.251 1061 K C -1.313 175.255 176.600 -0.052 0.000 0.936 1061 K CA -0.621 55.639 56.287 -0.046 0.000 0.791 1061 K CB 2.138 34.626 32.500 -0.020 0.000 1.213 1061 K HN 0.049 nan 8.250 nan 0.000 0.428 1062 V N 2.011 121.893 119.914 -0.053 0.000 2.715 1062 V HA 0.733 4.854 4.120 0.001 0.000 0.310 1062 V C -0.501 175.642 176.094 0.083 0.000 1.054 1062 V CA -0.869 61.409 62.300 -0.037 0.000 0.928 1062 V CB 1.644 33.356 31.823 -0.185 0.000 1.007 1062 V HN 0.838 nan 8.190 nan 0.000 0.437 1063 I N 3.105 123.776 120.570 0.168 0.000 2.686 1063 I HA 0.673 4.843 4.170 0.001 0.000 0.295 1063 I C 0.208 176.383 176.117 0.096 0.000 1.114 1063 I CA -0.264 61.126 61.300 0.150 0.000 1.038 1063 I CB 2.515 40.502 38.000 -0.022 0.000 1.238 1063 I HN 1.106 nan 8.210 nan 0.000 0.420 1064 S N 4.722 120.303 115.700 -0.198 0.000 2.672 1064 S HA 0.314 4.784 4.470 0.001 0.000 0.276 1064 S C 0.841 175.215 174.600 -0.377 0.000 1.207 1064 S CA -0.612 57.186 58.200 -0.670 0.000 1.002 1064 S CB 1.821 64.529 63.200 -0.820 0.000 0.998 1064 S HN 0.477 nan 8.310 nan 0.000 0.542 1065 V N 1.994 121.669 119.914 -0.398 0.000 2.626 1065 V HA -0.116 4.005 4.120 0.001 0.000 0.252 1065 V C 2.568 178.486 176.094 -0.293 0.000 1.067 1065 V CA 1.780 63.851 62.300 -0.381 0.000 1.081 1065 V CB -1.279 30.319 31.823 -0.375 0.000 0.686 1065 V HN 0.812 nan 8.190 nan 0.000 0.468 1066 Q N 0.306 119.984 119.800 -0.203 0.000 2.079 1066 Q HA -0.165 4.176 4.340 0.001 0.000 0.200 1066 Q C 2.197 178.182 176.000 -0.025 0.000 0.974 1066 Q CA 1.647 57.405 55.803 -0.076 0.000 0.840 1066 Q CB -0.301 28.394 28.738 -0.072 0.000 0.898 1066 Q HN 0.705 nan 8.270 nan 0.000 0.430 1067 E N 0.039 120.194 120.200 -0.075 0.000 2.077 1067 E HA -0.185 4.166 4.350 0.001 0.000 0.193 1067 E C 1.933 178.543 176.600 0.018 0.000 0.989 1067 E CA 1.408 57.792 56.400 -0.027 0.000 0.800 1067 E CB -0.191 29.487 29.700 -0.037 0.000 0.746 1067 E HN 0.369 nan 8.360 nan 0.000 0.452 1068 M N -0.101 119.475 119.600 -0.040 0.000 2.086 1068 M HA -0.170 4.311 4.480 0.001 0.000 0.261 1068 M C 2.144 178.634 176.300 0.318 0.000 1.067 1068 M CA 1.557 56.874 55.300 0.028 0.000 1.116 1068 M CB -0.519 31.915 32.600 -0.277 0.000 1.348 1068 M HN 0.228 nan 8.290 nan 0.000 0.407 1069 H N -0.230 118.875 119.070 0.058 0.000 2.421 1069 H HA -0.065 4.491 4.556 0.001 0.000 0.298 1069 H C 2.274 177.633 175.328 0.051 0.000 1.087 1069 H CA 0.769 56.855 56.048 0.064 0.000 1.330 1069 H CB 0.123 29.899 29.762 0.024 0.000 1.388 1069 H HN 0.458 nan 8.280 nan 0.000 0.526 1070 A N 1.218 124.128 122.820 0.150 0.000 1.865 1070 A HA -0.224 4.096 4.320 0.001 0.000 0.217 1070 A C 2.152 179.781 177.584 0.075 0.000 1.191 1070 A CA 1.488 53.574 52.037 0.082 0.000 0.623 1070 A CB -0.593 18.444 19.000 0.062 0.000 0.826 1070 A HN 0.454 nan 8.150 nan 0.000 0.444 1071 Q N -0.449 119.418 119.800 0.111 0.000 2.449 1071 Q HA -0.076 4.265 4.340 0.001 0.000 0.214 1071 Q C -0.072 175.965 176.000 0.061 0.000 0.986 1071 Q CA 0.409 56.275 55.803 0.105 0.000 0.893 1071 Q CB -0.468 28.382 28.738 0.187 0.000 0.940 1071 Q HN 0.700 nan 8.270 nan 0.000 0.477 1072 I N 1.211 121.812 120.570 0.053 0.000 2.395 1072 I HA 0.135 4.306 4.170 0.001 0.000 0.289 1072 I C 0.086 176.187 176.117 -0.027 0.000 1.023 1072 I CA -0.075 61.215 61.300 -0.016 0.000 1.350 1072 I CB 0.959 38.927 38.000 -0.055 0.000 1.409 1072 I HN -0.125 nan 8.210 nan 0.000 0.507 1073 K N 0.000 120.376 120.400 -0.039 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.268 56.287 -0.032 0.000 0.838 1073 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543