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 1ord_1_B DATA FIRST_RESID 1 DATA SEQUENCE SSSLKIASTQ EARQYFDTDR VVVDAVGSDF TDVGAVIAMD YETDVIDAAD DATA SEQUENCE ATKFGIPVFA VTKDAQAISA DELKKIFHII DLENKFDATV NAREIETAVN DATA SEQUENCE NYEDSILPPF FKSLKEYVSR GLIQFDCPGH QGGQYYRKHP AGREFYDFFG DATA SEQUENCE ETVFRADLCN ADVALGDLLI HEGPAVAAEK HAARVYNADK TYFVLGGSSN DATA SEQUENCE ANNTVTSALV SNGDLVLFDR NNHKSVYNSA LAMAGGRPVY LQTNRNPYGF DATA SEQUENCE IGGIYDSDFD EKKIRELAAK VDPERAKWKR PFRLAVIQLG TYDGTIYNAH DATA SEQUENCE EVVKRIGHLC DYIEFDSAWV GYEQFIPMMR NSSPLLIDDL GPEDPGIIVV DATA SEQUENCE QSVHKQQAGF SQTSQIHKKD SHIKGQLRYC DHKHFNNSFN LFMSTSPFYP DATA SEQUENCE MYAALDVNAA MQEGEAGRKL WHDLLITTIE ARKKLIKAGS MFRPFVPPVV DATA SEQUENCE NGKKWEDGDT EDMANNIDYW RFEKGAKWHA YEGYGDNQYY VDPNKFMLTT DATA SEQUENCE PGINPETGDY EDFGVPATIV ANYLRDHGII PEKSDLNSIL FLMTPAETPA DATA SEQUENCE KMNNLITQLL QLQRLIEEDA PLKQVLPSIY AANEERYNGY TIRELCQELH DATA SEQUENCE DFYKNNNTFT YQKRLFLREF FPEQGMLPYE ARQEFIRNHN KLVPLNKIEG DATA SEQUENCE EIALEGALPY PPGVFCVAPG EKWSETAVKY FTILQDGINN FPGFAPEIQG DATA SEQUENCE VYFKQEGDKV VAYGEVYDAE VAKNDDRYNN 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.604 174.600 0.007 0.000 1.055 1 S CA 0.000 58.207 58.200 0.012 0.000 1.107 1 S CB 0.000 63.209 63.200 0.014 0.000 0.593 2 S N 5.453 121.154 115.700 0.001 0.000 2.387 2 S HA 0.046 nan 4.470 nan 0.000 0.221 2 S C 0.986 175.586 174.600 -0.001 0.000 1.041 2 S CA 1.659 59.854 58.200 -0.007 0.000 0.959 2 S CB 0.540 63.726 63.200 -0.023 0.000 0.843 2 S HN 0.268 8.746 8.310 0.000 -0.168 0.488 3 S N -0.588 115.115 115.700 0.004 0.000 2.727 3 S HA 0.150 nan 4.470 nan 0.000 0.249 3 S C -0.254 174.361 174.600 0.025 0.000 1.079 3 S CA -0.044 58.163 58.200 0.013 0.000 0.912 3 S CB 1.516 64.723 63.200 0.012 0.000 0.861 3 S HN -0.244 8.068 8.310 0.003 0.000 0.484 4 L N 2.979 124.221 121.223 0.032 0.000 2.485 4 L HA -0.119 nan 4.340 nan 0.000 0.275 4 L C -0.234 176.663 176.870 0.045 0.000 1.207 4 L CA 0.484 55.355 54.840 0.052 0.000 0.855 4 L CB 0.277 42.384 42.059 0.080 0.000 1.114 4 L HN -0.309 7.936 8.230 0.024 0.000 0.485 5 K N 1.554 121.984 120.400 0.051 0.000 2.760 5 K HA 0.692 nan 4.320 nan 0.000 0.285 5 K C -1.030 175.596 176.600 0.043 0.000 1.016 5 K CA -1.264 55.051 56.287 0.046 0.000 1.087 5 K CB 2.316 34.844 32.500 0.047 0.000 1.427 5 K HN 0.404 8.690 8.250 0.061 0.000 0.524 6 I N -1.768 118.832 120.570 0.050 0.000 2.571 6 I HA 0.317 nan 4.170 nan 0.000 0.289 6 I C -2.305 173.847 176.117 0.058 0.000 1.115 6 I CA -1.167 60.150 61.300 0.028 0.000 1.045 6 I CB 3.921 41.936 38.000 0.025 0.000 1.238 6 I HN 0.516 8.682 8.210 0.061 0.080 0.424 7 A N 7.961 130.813 122.820 0.054 0.000 2.252 7 A HA 0.565 nan 4.320 nan 0.000 0.309 7 A C -2.161 175.463 177.584 0.066 0.000 1.285 7 A CA -1.466 50.625 52.037 0.090 0.000 0.900 7 A CB 0.833 19.943 19.000 0.184 0.000 1.157 7 A HN 0.276 8.445 8.150 0.030 0.000 0.536 8 S N 3.411 119.171 115.700 0.100 0.000 2.570 8 S HA 0.797 nan 4.470 nan 0.000 0.286 8 S C -0.746 173.923 174.600 0.116 0.000 1.099 8 S CA -1.806 56.469 58.200 0.125 0.000 0.913 8 S CB 3.036 66.440 63.200 0.340 0.000 1.085 8 S HN 0.161 8.427 8.310 0.107 0.108 0.480 9 T N 1.390 116.007 114.554 0.104 0.000 2.899 9 T HA 0.387 nan 4.350 nan 0.000 0.284 9 T C 1.242 175.994 174.700 0.086 0.000 1.004 9 T CA -1.258 60.886 62.100 0.073 0.000 1.043 9 T CB 1.939 70.831 68.868 0.039 0.000 1.013 9 T HN 0.127 8.432 8.240 0.109 0.000 0.518 10 Q N 1.065 120.900 119.800 0.059 0.000 2.152 10 Q HA -0.342 nan 4.340 nan 0.000 0.206 10 Q C 2.044 178.072 176.000 0.047 0.000 0.985 10 Q CA 4.302 60.131 55.803 0.044 0.000 0.863 10 Q CB -0.232 28.525 28.738 0.031 0.000 0.904 10 Q HN 0.505 8.804 8.270 0.048 0.000 0.422 11 E N -2.330 117.922 120.200 0.087 0.000 2.107 11 E HA -0.158 nan 4.350 nan 0.000 0.191 11 E C 1.089 177.821 176.600 0.221 0.000 0.982 11 E CA 1.610 58.097 56.400 0.145 0.000 0.809 11 E CB -0.422 29.405 29.700 0.212 0.000 0.756 11 E HN 0.129 8.523 8.360 0.085 0.017 0.459 12 A N -1.988 120.971 122.820 0.232 0.000 2.066 12 A HA -0.082 nan 4.320 nan 0.000 0.218 12 A C 2.355 180.164 177.584 0.375 0.000 1.157 12 A CA 1.825 54.080 52.037 0.363 0.000 0.670 12 A CB -0.153 18.995 19.000 0.247 0.000 0.804 12 A HN -0.609 7.550 8.150 0.162 0.088 0.453 13 R N -0.523 120.092 120.500 0.191 0.000 2.115 13 R HA -0.381 nan 4.340 nan 0.000 0.239 13 R C 2.522 178.688 176.300 -0.223 0.000 1.133 13 R CA 3.213 59.326 56.100 0.023 0.000 0.935 13 R CB -0.409 29.865 30.300 -0.043 0.000 0.853 13 R HN -0.175 8.039 8.270 0.145 0.143 0.433 14 Q N -2.877 116.744 119.800 -0.298 0.000 2.439 14 Q HA -0.187 nan 4.340 nan 0.000 0.211 14 Q C 1.494 177.265 176.000 -0.382 0.000 0.978 14 Q CA 2.408 57.959 55.803 -0.421 0.000 0.897 14 Q CB -0.658 27.747 28.738 -0.556 0.000 0.956 14 Q HN 0.140 8.254 8.270 -0.259 0.000 0.483 15 Y N -2.893 117.427 120.300 0.032 0.000 2.458 15 Y HA 0.043 nan 4.550 nan 0.000 0.256 15 Y C -0.850 175.145 175.900 0.158 0.000 1.159 15 Y CA -0.514 57.638 58.100 0.087 0.000 1.261 15 Y CB 0.595 39.129 38.460 0.124 0.000 1.119 15 Y HN -0.412 7.666 8.280 -0.019 0.190 0.524 16 F N -4.278 115.735 119.950 0.104 0.000 2.613 16 F HA 0.346 nan 4.527 nan 0.000 0.314 16 F C -1.316 174.488 175.800 0.006 0.000 1.075 16 F CA -1.997 56.032 58.000 0.047 0.000 0.945 16 F CB 2.580 41.588 39.000 0.014 0.000 1.310 16 F HN -0.770 7.490 8.300 -0.067 0.000 0.467 17 D N -0.373 120.081 120.400 0.091 0.000 2.513 17 D HA 0.120 nan 4.640 nan 0.000 0.222 17 D C -0.076 176.242 176.300 0.031 0.000 1.210 17 D CA -0.561 53.408 54.000 -0.052 0.000 0.825 17 D CB 0.821 41.610 40.800 -0.018 0.000 1.037 17 D HN 0.465 8.996 8.370 0.269 0.000 0.506 18 T N 3.649 118.332 114.554 0.215 0.000 4.475 18 T HA -0.051 nan 4.350 nan 0.000 0.254 18 T C 0.217 174.983 174.700 0.110 0.000 1.160 18 T CA 0.825 63.011 62.100 0.145 0.000 1.091 18 T CB -1.401 67.535 68.868 0.114 0.000 1.377 18 T HN -0.114 8.432 8.240 0.509 0.000 1.057 19 D N 2.777 123.179 120.400 0.004 0.000 2.325 19 D HA -0.050 nan 4.640 nan 0.000 0.234 19 D C 0.063 176.357 176.300 -0.011 0.000 1.122 19 D CA 1.140 55.115 54.000 -0.043 0.000 0.850 19 D CB -0.469 40.272 40.800 -0.099 0.000 0.921 19 D HN 0.441 8.768 8.370 -0.008 0.039 0.513 20 R N -1.414 119.094 120.500 0.013 0.000 2.127 20 R HA -0.005 nan 4.340 nan 0.000 0.217 20 R C 0.038 176.348 176.300 0.016 0.000 1.074 20 R CA 0.750 56.857 56.100 0.011 0.000 0.991 20 R CB 0.355 30.663 30.300 0.013 0.000 0.895 20 R HN 0.055 8.220 8.270 0.029 0.122 0.450 21 V N -5.273 114.660 119.914 0.032 0.000 3.302 21 V HA 0.226 nan 4.120 nan 0.000 0.316 21 V C -0.849 175.269 176.094 0.040 0.000 1.111 21 V CA -2.515 59.806 62.300 0.034 0.000 1.029 21 V CB 1.704 33.550 31.823 0.038 0.000 1.170 21 V HN -0.808 7.411 8.190 0.047 0.000 0.452 22 V N 1.085 121.021 119.914 0.037 0.000 2.439 22 V HA 0.078 nan 4.120 nan 0.000 0.271 22 V C -0.501 175.629 176.094 0.059 0.000 1.040 22 V CA 0.853 63.176 62.300 0.037 0.000 1.002 22 V CB -1.239 30.601 31.823 0.028 0.000 1.000 22 V HN 0.320 8.530 8.190 0.033 0.000 0.477 23 V N 6.878 126.833 119.914 0.068 0.000 2.612 23 V HA 0.568 nan 4.120 nan 0.000 0.301 23 V C -0.975 175.161 176.094 0.069 0.000 1.046 23 V CA -1.432 60.932 62.300 0.107 0.000 0.946 23 V CB 1.413 33.325 31.823 0.150 0.000 1.003 23 V HN 0.309 8.527 8.190 0.047 0.000 0.459 24 D N 2.659 123.102 120.400 0.071 0.000 2.654 24 D HA 0.173 nan 4.640 nan 0.000 0.231 24 D C -1.351 174.971 176.300 0.037 0.000 1.239 24 D CA -1.153 52.871 54.000 0.040 0.000 0.790 24 D CB 2.493 43.304 40.800 0.019 0.000 1.480 24 D HN 0.507 8.833 8.370 0.088 0.098 0.442 25 A N 0.278 123.108 122.820 0.016 0.000 2.454 25 A HA -0.050 nan 4.320 nan 0.000 0.256 25 A C -0.321 177.249 177.584 -0.024 0.000 1.132 25 A CA 0.815 52.857 52.037 0.007 0.000 0.810 25 A CB 0.369 19.366 19.000 -0.006 0.000 1.083 25 A HN 0.144 8.300 8.150 0.010 0.000 0.516 26 V N -2.161 117.735 119.914 -0.031 0.000 2.325 26 V HA 0.064 nan 4.120 nan 0.000 0.280 26 V C -0.045 175.979 176.094 -0.117 0.000 1.016 26 V CA 0.185 62.431 62.300 -0.091 0.000 0.818 26 V CB -0.571 31.265 31.823 0.023 0.000 1.019 26 V HN 0.270 8.456 8.190 -0.008 0.000 0.434 27 G N 5.019 113.697 108.800 -0.202 0.000 5.068 27 G HA2 -0.026 nan 3.960 nan 0.000 0.218 27 G HA3 -0.026 nan 3.960 nan 0.000 0.218 27 G C -0.761 173.986 174.900 -0.255 0.000 0.891 27 G CA 0.443 45.440 45.100 -0.172 0.000 0.776 27 G HN 0.163 8.303 8.290 -0.250 0.000 0.284 28 S N 0.290 115.720 115.700 -0.450 0.000 2.603 28 S HA 0.076 nan 4.470 nan 0.000 0.268 28 S C 0.117 174.364 174.600 -0.589 0.000 1.317 28 S CA -0.457 57.436 58.200 -0.512 0.000 1.012 28 S CB 0.971 63.792 63.200 -0.633 0.000 0.926 28 S HN -0.407 7.498 8.310 -0.564 0.066 0.539 29 D N 3.740 123.972 120.400 -0.279 0.000 2.340 29 D HA -0.022 nan 4.640 nan 0.000 0.217 29 D C -0.143 176.244 176.300 0.145 0.000 1.081 29 D CA -0.275 53.675 54.000 -0.082 0.000 0.842 29 D CB -0.645 40.154 40.800 -0.002 0.000 0.934 29 D HN 0.243 8.502 8.370 -0.186 0.000 0.511 30 F N -2.592 117.419 119.950 0.102 0.000 3.079 30 F HA -0.419 nan 4.527 nan 0.000 0.285 30 F C 0.640 176.611 175.800 0.285 0.000 0.819 30 F CA 1.111 59.208 58.000 0.161 0.000 1.067 30 F CB -2.172 36.909 39.000 0.135 0.000 1.263 30 F HN 0.125 8.125 8.300 -0.337 0.098 0.458 31 T N -5.326 109.449 114.554 0.368 0.000 3.129 31 T HA -0.040 nan 4.350 nan 0.000 0.251 31 T C -0.114 174.652 174.700 0.110 0.000 1.117 31 T CA 1.561 63.794 62.100 0.222 0.000 1.034 31 T CB -0.283 68.683 68.868 0.164 0.000 0.968 31 T HN -0.450 8.101 8.240 0.258 -0.156 0.526 32 D N -2.038 118.444 120.400 0.136 0.000 2.594 32 D HA 0.060 nan 4.640 nan 0.000 0.256 32 D C -2.221 174.150 176.300 0.118 0.000 1.393 32 D CA -0.457 53.602 54.000 0.098 0.000 0.797 32 D CB -0.364 40.473 40.800 0.062 0.000 1.110 32 D HN 0.010 8.423 8.370 0.173 0.061 0.495 33 V N 0.078 120.090 119.914 0.164 0.000 2.394 33 V HA 0.396 nan 4.120 nan 0.000 0.282 33 V C -0.463 175.674 176.094 0.073 0.000 1.031 33 V CA -0.166 62.214 62.300 0.134 0.000 0.881 33 V CB 0.495 32.453 31.823 0.225 0.000 0.982 33 V HN -0.887 7.364 8.190 0.209 0.064 0.451 34 G N 3.675 112.494 108.800 0.031 0.000 2.719 34 G HA2 0.212 nan 3.960 nan 0.000 0.211 34 G HA3 0.212 nan 3.960 nan 0.000 0.211 34 G C -1.709 173.060 174.900 -0.218 0.000 1.140 34 G CA -0.073 45.031 45.100 0.006 0.000 0.790 34 G HN 0.337 8.648 8.290 0.034 0.000 0.529 35 A N -2.292 120.420 122.820 -0.180 0.000 2.547 35 A HA 0.486 nan 4.320 nan 0.000 0.297 35 A C -2.455 175.039 177.584 -0.151 0.000 1.056 35 A CA -0.712 51.208 52.037 -0.195 0.000 0.688 35 A CB 2.392 21.241 19.000 -0.251 0.000 1.282 35 A HN -0.790 7.293 8.150 -0.113 0.000 0.400 36 V N 2.222 122.075 119.914 -0.101 0.000 2.459 36 V HA 0.758 nan 4.120 nan 0.000 0.295 36 V C -1.596 174.477 176.094 -0.034 0.000 1.029 36 V CA -1.048 61.216 62.300 -0.059 0.000 0.874 36 V CB 2.184 33.946 31.823 -0.101 0.000 0.985 36 V HN 0.520 8.678 8.190 -0.053 0.000 0.438 37 I N 7.765 128.278 120.570 -0.094 0.000 2.439 37 I HA 0.752 nan 4.170 nan 0.000 0.285 37 I C -2.520 173.588 176.117 -0.015 0.000 1.021 37 I CA -0.972 60.258 61.300 -0.118 0.000 1.091 37 I CB 1.949 39.645 38.000 -0.505 0.000 1.242 37 I HN 0.616 8.781 8.210 -0.075 0.000 0.439 38 A N 5.929 128.762 122.820 0.021 0.000 2.552 38 A HA 0.776 nan 4.320 nan 0.000 0.288 38 A C -2.182 175.385 177.584 -0.027 0.000 1.193 38 A CA -1.693 50.345 52.037 0.002 0.000 0.713 38 A CB 3.838 22.824 19.000 -0.023 0.000 1.305 38 A HN 1.027 9.201 8.150 0.040 0.000 0.424 39 M N -1.418 118.097 119.600 -0.141 0.000 2.314 39 M HA 0.429 nan 4.480 nan 0.000 0.342 39 M C 1.757 177.909 176.300 -0.247 0.000 1.171 39 M CA -2.876 52.300 55.300 -0.207 0.000 1.098 39 M CB 0.148 32.495 32.600 -0.421 0.000 1.559 39 M HN -0.028 8.425 8.290 -0.199 -0.282 0.459 40 D N 3.567 123.908 120.400 -0.097 0.000 2.203 40 D HA -0.439 nan 4.640 nan 0.000 0.199 40 D C -0.018 176.283 176.300 0.002 0.000 0.997 40 D CA 3.116 57.100 54.000 -0.026 0.000 0.863 40 D CB -0.800 40.021 40.800 0.036 0.000 0.928 40 D HN 0.698 9.043 8.370 -0.042 0.000 0.458 41 Y N -4.778 115.533 120.300 0.019 0.000 2.457 41 Y HA 0.052 nan 4.550 nan 0.000 0.292 41 Y C 0.636 176.550 175.900 0.024 0.000 1.125 41 Y CA -0.653 57.458 58.100 0.018 0.000 1.254 41 Y CB -0.332 38.140 38.460 0.019 0.000 1.012 41 Y HN -0.367 7.837 8.280 -0.072 0.032 0.555 42 E N 1.716 121.723 120.200 -0.322 0.000 2.222 42 E HA 0.015 nan 4.350 nan 0.000 0.312 42 E C 0.042 176.602 176.600 -0.067 0.000 1.263 42 E CA -0.400 55.887 56.400 -0.189 0.000 1.356 42 E CB -2.277 27.252 29.700 -0.285 0.000 1.180 42 E HN -0.185 7.680 8.360 -0.569 0.153 0.494 43 T N -2.031 112.520 114.554 -0.006 0.000 3.035 43 T HA -0.210 nan 4.350 nan 0.000 0.268 43 T C 1.002 175.706 174.700 0.006 0.000 1.109 43 T CA 3.358 65.460 62.100 0.003 0.000 1.119 43 T CB -0.142 68.739 68.868 0.022 0.000 0.900 43 T HN 0.198 8.398 8.240 0.032 0.059 0.503 44 D N 1.259 121.669 120.400 0.016 0.000 2.289 44 D HA -0.050 nan 4.640 nan 0.000 0.207 44 D C 1.646 177.970 176.300 0.039 0.000 0.966 44 D CA 3.171 57.185 54.000 0.024 0.000 0.868 44 D CB -0.422 40.395 40.800 0.028 0.000 0.943 44 D HN 0.044 8.380 8.370 0.019 0.046 0.514 45 V N 0.577 120.514 119.914 0.039 0.000 2.379 45 V HA -0.297 nan 4.120 nan 0.000 0.245 45 V C 1.421 177.545 176.094 0.050 0.000 1.044 45 V CA 3.854 66.206 62.300 0.087 0.000 1.036 45 V CB -0.629 31.235 31.823 0.069 0.000 0.664 45 V HN -0.670 7.503 8.190 0.017 0.027 0.453 46 I N -1.689 118.879 120.570 -0.004 0.000 2.454 46 I HA -0.537 nan 4.170 nan 0.000 0.254 46 I C 1.932 178.013 176.117 -0.060 0.000 1.156 46 I CA 3.852 65.126 61.300 -0.044 0.000 1.433 46 I CB -0.805 37.173 38.000 -0.038 0.000 1.082 46 I HN -0.726 7.480 8.210 -0.006 0.000 0.432 47 D N 0.141 120.524 120.400 -0.028 0.000 2.137 47 D HA -0.100 nan 4.640 nan 0.000 0.202 47 D C 1.725 178.007 176.300 -0.030 0.000 0.970 47 D CA 3.261 57.243 54.000 -0.030 0.000 0.837 47 D CB -0.664 40.130 40.800 -0.010 0.000 0.981 47 D HN -0.529 7.709 8.370 -0.007 0.128 0.475 48 A N -0.298 122.540 122.820 0.030 0.000 1.898 48 A HA -0.168 nan 4.320 nan 0.000 0.216 48 A C 1.871 179.447 177.584 -0.013 0.000 1.181 48 A CA 3.106 55.215 52.037 0.119 0.000 0.620 48 A CB -0.716 18.473 19.000 0.315 0.000 0.819 48 A HN 0.050 8.046 8.150 0.053 0.186 0.442 49 A N -2.873 119.771 122.820 -0.294 0.000 1.933 49 A HA -0.329 nan 4.320 nan 0.000 0.218 49 A C 1.495 178.818 177.584 -0.434 0.000 1.175 49 A CA 3.012 54.545 52.037 -0.839 0.000 0.628 49 A CB -0.542 18.042 19.000 -0.693 0.000 0.814 49 A HN 0.049 8.123 8.150 -0.127 0.000 0.444 50 D N -1.681 118.574 120.400 -0.241 0.000 2.077 50 D HA -0.220 nan 4.640 nan 0.000 0.196 50 D C 2.434 178.640 176.300 -0.157 0.000 0.986 50 D CA 3.552 57.450 54.000 -0.169 0.000 0.829 50 D CB 0.237 40.972 40.800 -0.108 0.000 0.983 50 D HN -0.753 7.403 8.370 -0.190 0.100 0.453 51 A N -1.695 121.046 122.820 -0.133 0.000 1.986 51 A HA -0.293 nan 4.320 nan 0.000 0.220 51 A C 2.505 179.976 177.584 -0.190 0.000 1.171 51 A CA 3.058 55.020 52.037 -0.125 0.000 0.640 51 A CB -0.682 18.267 19.000 -0.085 0.000 0.811 51 A HN 0.066 8.151 8.150 -0.109 0.000 0.451 52 T N -6.395 107.977 114.554 -0.305 0.000 2.869 52 T HA -0.267 nan 4.350 nan 0.000 0.270 52 T C 1.212 175.604 174.700 -0.513 0.000 1.082 52 T CA 1.776 63.512 62.100 -0.607 0.000 1.123 52 T CB -0.348 67.875 68.868 -1.075 0.000 0.856 52 T HN -0.633 7.416 8.240 -0.276 0.025 0.499 53 K N -3.664 116.597 120.400 -0.231 0.000 3.274 53 K HA -0.396 nan 4.320 nan 0.000 0.300 53 K C 0.364 177.053 176.600 0.148 0.000 1.230 53 K CA 1.483 57.744 56.287 -0.043 0.000 0.884 53 K CB -2.167 30.323 32.500 -0.015 0.000 1.242 53 K HN 0.286 8.238 8.250 -0.217 0.168 0.467 54 F N -0.276 119.674 119.950 0.001 0.000 2.259 54 F HA -0.156 nan 4.527 nan 0.000 0.298 54 F C 1.799 177.663 175.800 0.108 0.000 1.088 54 F CA 0.378 58.413 58.000 0.058 0.000 1.358 54 F CB -0.225 38.816 39.000 0.068 0.000 1.040 54 F HN -0.705 7.489 8.300 -0.061 0.069 0.505 55 G N -2.817 106.104 108.800 0.202 0.000 2.132 55 G HA2 -0.452 nan 3.960 nan 0.000 0.228 55 G HA3 -0.452 nan 3.960 nan 0.000 0.228 55 G C -0.549 174.332 174.900 -0.032 0.000 1.000 55 G CA -0.026 45.145 45.100 0.119 0.000 0.693 55 G HN 0.012 8.372 8.290 0.115 0.000 0.515 56 I N 1.608 122.033 120.570 -0.243 0.000 2.533 56 I HA 0.019 nan 4.170 nan 0.000 0.284 56 I C -1.147 174.754 176.117 -0.360 0.000 1.109 56 I CA -2.542 58.392 61.300 -0.609 0.000 1.412 56 I CB 0.427 38.118 38.000 -0.515 0.000 1.396 56 I HN -0.258 7.882 8.210 -0.117 0.000 0.543 57 P HA 0.056 nan 4.420 nan 0.000 0.270 57 P C -1.589 175.700 177.300 -0.018 0.000 1.242 57 P CA -0.278 62.687 63.100 -0.225 0.000 0.768 57 P CB 0.025 31.470 31.700 -0.424 0.000 0.820 58 V N 3.982 123.895 119.914 -0.002 0.000 2.439 58 V HA 0.490 nan 4.120 nan 0.000 0.282 58 V C -0.848 175.305 176.094 0.099 0.000 1.039 58 V CA -0.386 61.949 62.300 0.059 0.000 0.913 58 V CB 1.056 32.859 31.823 -0.033 0.000 0.983 58 V HN 0.220 8.393 8.190 -0.029 0.000 0.460 59 F N 6.719 126.661 119.950 -0.013 0.000 2.426 59 F HA 0.529 nan 4.527 nan 0.000 0.348 59 F C -1.889 173.903 175.800 -0.012 0.000 1.124 59 F CA -2.153 55.863 58.000 0.027 0.000 1.008 59 F CB 2.611 41.613 39.000 0.004 0.000 1.139 59 F HN 1.141 9.547 8.300 0.362 0.111 0.452 60 A N 4.722 127.609 122.820 0.113 0.000 2.249 60 A HA 0.704 nan 4.320 nan 0.000 0.314 60 A C -1.340 176.274 177.584 0.049 0.000 1.290 60 A CA -1.527 50.538 52.037 0.047 0.000 0.893 60 A CB 0.575 19.575 19.000 0.000 0.000 1.165 60 A HN 0.501 8.690 8.150 0.065 0.000 0.530 61 V N 5.719 125.656 119.914 0.038 0.000 2.530 61 V HA 0.483 nan 4.120 nan 0.000 0.282 61 V C -0.550 175.523 176.094 -0.036 0.000 1.048 61 V CA -0.289 62.013 62.300 0.003 0.000 0.997 61 V CB -0.211 31.613 31.823 0.002 0.000 0.987 61 V HN 0.946 9.038 8.190 0.030 0.116 0.477 62 T N 2.521 117.042 114.554 -0.056 0.000 2.864 62 T HA 0.584 nan 4.350 nan 0.000 0.289 62 T C -1.269 173.390 174.700 -0.070 0.000 1.082 62 T CA -1.121 60.956 62.100 -0.038 0.000 1.009 62 T CB 3.221 72.079 68.868 -0.017 0.000 1.234 62 T HN 0.751 8.954 8.240 -0.061 0.000 0.526 63 K N -0.596 119.783 120.400 -0.035 0.000 2.554 63 K HA 0.195 nan 4.320 nan 0.000 0.211 63 K C -2.039 174.552 176.600 -0.015 0.000 1.226 63 K CA 0.489 56.755 56.287 -0.036 0.000 1.025 63 K CB 1.655 34.138 32.500 -0.029 0.000 1.021 63 K HN 0.539 8.785 8.250 -0.007 0.000 0.600 64 D N -1.765 118.629 120.400 -0.009 0.000 2.934 64 D HA 0.108 nan 4.640 nan 0.000 0.249 64 D C -0.020 176.276 176.300 -0.007 0.000 1.293 64 D CA 0.289 54.286 54.000 -0.006 0.000 0.812 64 D CB -0.048 40.751 40.800 -0.002 0.000 1.439 64 D HN -0.613 7.695 8.370 -0.007 0.057 0.555 65 A N 2.725 125.536 122.820 -0.015 0.000 1.969 65 A HA -0.186 nan 4.320 nan 0.000 0.218 65 A C 1.636 179.206 177.584 -0.023 0.000 1.169 65 A CA 2.656 54.680 52.037 -0.021 0.000 0.635 65 A CB 0.053 19.034 19.000 -0.032 0.000 0.810 65 A HN 0.291 8.431 8.150 -0.017 0.000 0.445 66 Q N 0.140 119.928 119.800 -0.020 0.000 2.364 66 Q HA -0.228 nan 4.340 nan 0.000 0.209 66 Q C 0.857 176.847 176.000 -0.016 0.000 0.977 66 Q CA 1.786 57.577 55.803 -0.020 0.000 0.885 66 Q CB -0.566 28.161 28.738 -0.018 0.000 0.941 66 Q HN 0.410 8.652 8.270 -0.018 0.017 0.464 67 A N -2.631 120.183 122.820 -0.011 0.000 2.195 67 A HA 0.035 nan 4.320 nan 0.000 0.210 67 A C 0.267 177.849 177.584 -0.003 0.000 1.165 67 A CA 0.025 52.059 52.037 -0.006 0.000 0.806 67 A CB 0.666 19.665 19.000 -0.001 0.000 0.847 67 A HN -0.409 7.546 8.150 -0.010 0.190 0.482 68 I N 0.737 121.303 120.570 -0.006 0.000 2.618 68 I HA -0.252 nan 4.170 nan 0.000 0.284 68 I C -0.175 175.935 176.117 -0.011 0.000 1.146 68 I CA 0.703 61.999 61.300 -0.005 0.000 1.425 68 I CB 0.278 38.270 38.000 -0.013 0.000 1.383 68 I HN -0.715 7.332 8.210 -0.011 0.157 0.562 69 S N 6.815 122.511 115.700 -0.007 0.000 2.585 69 S HA 0.016 nan 4.470 nan 0.000 0.273 69 S C 1.103 175.693 174.600 -0.017 0.000 1.339 69 S CA -0.152 58.042 58.200 -0.011 0.000 1.028 69 S CB 1.825 65.021 63.200 -0.006 0.000 0.906 69 S HN 0.275 8.584 8.310 -0.001 0.000 0.528 70 A N 4.810 127.618 122.820 -0.019 0.000 1.884 70 A HA -0.409 nan 4.320 nan 0.000 0.219 70 A C 1.643 179.213 177.584 -0.023 0.000 1.197 70 A CA 3.330 55.353 52.037 -0.023 0.000 0.637 70 A CB -0.589 18.399 19.000 -0.021 0.000 0.827 70 A HN 0.794 8.934 8.150 -0.017 0.000 0.450 71 D N -2.516 117.873 120.400 -0.019 0.000 2.149 71 D HA -0.327 nan 4.640 nan 0.000 0.194 71 D C 2.541 178.828 176.300 -0.021 0.000 1.001 71 D CA 3.558 57.547 54.000 -0.018 0.000 0.849 71 D CB -0.401 40.390 40.800 -0.014 0.000 0.939 71 D HN 0.339 8.700 8.370 -0.016 0.000 0.449 72 E N -1.006 119.183 120.200 -0.019 0.000 2.208 72 E HA -0.178 nan 4.350 nan 0.000 0.193 72 E C 2.276 178.858 176.600 -0.030 0.000 0.988 72 E CA 1.992 58.379 56.400 -0.021 0.000 0.828 72 E CB 0.052 29.744 29.700 -0.013 0.000 0.763 72 E HN -0.437 7.825 8.360 -0.016 0.088 0.478 73 L N -0.831 120.371 121.223 -0.034 0.000 2.275 73 L HA -0.229 nan 4.340 nan 0.000 0.215 73 L C 2.334 179.176 176.870 -0.047 0.000 1.119 73 L CA 2.121 56.933 54.840 -0.047 0.000 0.790 73 L CB -0.302 41.727 42.059 -0.050 0.000 0.919 73 L HN -0.270 7.816 8.230 -0.030 0.126 0.443 74 K N -2.135 118.243 120.400 -0.037 0.000 2.525 74 K HA -0.137 nan 4.320 nan 0.000 0.192 74 K C 0.536 177.116 176.600 -0.032 0.000 1.029 74 K CA 1.867 58.134 56.287 -0.033 0.000 1.029 74 K CB -0.471 32.013 32.500 -0.027 0.000 0.814 74 K HN -0.376 7.704 8.250 -0.033 0.151 0.503 75 K N -3.563 116.815 120.400 -0.036 0.000 2.391 75 K HA 0.089 nan 4.320 nan 0.000 0.197 75 K C -0.467 176.107 176.600 -0.043 0.000 1.087 75 K CA 0.303 56.566 56.287 -0.040 0.000 1.012 75 K CB 1.802 34.277 32.500 -0.042 0.000 0.925 75 K HN -0.456 7.574 8.250 -0.038 0.197 0.547 76 I N -6.713 113.829 120.570 -0.045 0.000 2.947 76 I HA 0.337 nan 4.170 nan 0.000 0.314 76 I C -0.433 175.656 176.117 -0.047 0.000 1.028 76 I CA -1.529 59.740 61.300 -0.051 0.000 1.077 76 I CB 1.870 39.829 38.000 -0.067 0.000 1.274 76 I HN -0.811 7.370 8.210 -0.049 0.000 0.485 77 F N 2.282 122.078 119.950 -0.256 0.000 2.315 77 F HA 0.190 nan 4.527 nan 0.000 0.284 77 F C -0.588 175.076 175.800 -0.226 0.000 1.049 77 F CA 0.729 58.539 58.000 -0.318 0.000 1.323 77 F CB 2.033 40.731 39.000 -0.504 0.000 1.113 77 F HN 0.611 8.759 8.300 -0.068 0.111 0.544 78 H N -3.614 114.977 119.070 -0.799 0.000 2.980 78 H HA 0.263 nan 4.556 nan 0.000 0.367 78 H C -1.889 173.225 175.328 -0.357 0.000 1.206 78 H CA -1.092 54.525 56.048 -0.718 0.000 1.126 78 H CB 3.872 33.156 29.762 -0.797 0.000 1.838 78 H HN -0.674 7.285 8.280 -0.535 0.000 0.552 79 I N 1.017 121.512 120.570 -0.126 0.000 2.412 79 I HA 0.447 nan 4.170 nan 0.000 0.296 79 I C -0.692 175.453 176.117 0.047 0.000 0.987 79 I CA -0.847 60.429 61.300 -0.039 0.000 1.180 79 I CB 1.805 39.755 38.000 -0.083 0.000 1.340 79 I HN 0.214 8.275 8.210 -0.248 0.000 0.455 80 I N 7.467 128.092 120.570 0.091 0.000 2.382 80 I HA 0.109 nan 4.170 nan 0.000 0.285 80 I C -1.916 174.221 176.117 0.033 0.000 1.007 80 I CA -1.184 60.184 61.300 0.112 0.000 1.142 80 I CB 2.618 40.730 38.000 0.187 0.000 1.289 80 I HN 0.383 8.635 8.210 0.069 0.000 0.453 81 D N 8.682 129.096 120.400 0.024 0.000 2.344 81 D HA 0.120 nan 4.640 nan 0.000 0.253 81 D C 1.317 177.601 176.300 -0.027 0.000 1.255 81 D CA -0.921 53.074 54.000 -0.008 0.000 0.894 81 D CB -0.066 40.740 40.800 0.010 0.000 1.067 81 D HN 0.419 8.815 8.370 0.043 0.000 0.492 82 L N 3.513 124.662 121.223 -0.122 0.000 2.083 82 L HA -0.113 nan 4.340 nan 0.000 0.209 82 L C 1.249 178.083 176.870 -0.060 0.000 1.083 82 L CA 2.606 57.325 54.840 -0.203 0.000 0.752 82 L CB -0.078 41.577 42.059 -0.674 0.000 0.899 82 L HN 0.208 8.348 8.230 -0.151 0.000 0.433 83 E N -3.144 117.033 120.200 -0.038 0.000 2.485 83 E HA -0.123 nan 4.350 nan 0.000 0.194 83 E C -0.855 175.765 176.600 0.034 0.000 1.098 83 E CA 0.381 56.785 56.400 0.007 0.000 0.878 83 E CB -0.304 29.401 29.700 0.009 0.000 0.939 83 E HN -0.306 8.165 8.360 -0.057 -0.145 0.503 84 N N -0.301 118.423 118.700 0.040 0.000 2.491 84 N HA 0.070 nan 4.740 nan 0.000 0.274 84 N C -1.059 174.465 175.510 0.022 0.000 1.023 84 N CA -0.070 53.027 53.050 0.078 0.000 0.902 84 N CB 0.794 39.349 38.487 0.114 0.000 1.267 84 N HN -0.668 7.629 8.380 0.029 0.101 0.503 85 K N 4.295 124.618 120.400 -0.128 0.000 2.379 85 K HA 0.036 nan 4.320 nan 0.000 0.194 85 K C 1.859 178.312 176.600 -0.246 0.000 1.031 85 K CA 1.038 57.195 56.287 -0.216 0.000 1.037 85 K CB 0.243 32.551 32.500 -0.320 0.000 0.824 85 K HN 0.396 8.528 8.250 -0.197 0.000 0.516 86 F N 1.390 121.360 119.950 0.033 0.000 2.325 86 F HA -0.197 nan 4.527 nan 0.000 0.299 86 F C 1.374 177.195 175.800 0.035 0.000 1.090 86 F CA 2.540 60.558 58.000 0.030 0.000 1.392 86 F CB -0.237 38.776 39.000 0.022 0.000 1.053 86 F HN -0.522 7.843 8.300 -0.055 -0.097 0.521 87 D N -1.229 119.286 120.400 0.191 0.000 2.349 87 D HA -0.003 nan 4.640 nan 0.000 0.224 87 D C 0.644 177.008 176.300 0.107 0.000 1.029 87 D CA 0.829 54.912 54.000 0.138 0.000 0.879 87 D CB -0.635 40.239 40.800 0.123 0.000 0.906 87 D HN -0.342 8.350 8.370 0.191 -0.207 0.528 88 A N -0.690 122.178 122.820 0.079 0.000 1.958 88 A HA -0.314 nan 4.320 nan 0.000 0.221 88 A C 1.822 179.450 177.584 0.074 0.000 1.178 88 A CA 3.260 55.338 52.037 0.068 0.000 0.642 88 A CB -0.448 18.568 19.000 0.026 0.000 0.816 88 A HN -0.452 7.545 8.150 0.060 0.188 0.453 89 T N -0.977 113.620 114.554 0.072 0.000 2.976 89 T HA -0.046 nan 4.350 nan 0.000 0.257 89 T C 1.745 176.494 174.700 0.082 0.000 1.051 89 T CA 3.799 65.940 62.100 0.069 0.000 1.141 89 T CB -0.104 68.800 68.868 0.061 0.000 0.881 89 T HN 0.087 8.353 8.240 0.075 0.019 0.461 90 V N -0.228 119.744 119.914 0.095 0.000 2.667 90 V HA -0.170 nan 4.120 nan 0.000 0.252 90 V C 1.467 177.641 176.094 0.134 0.000 1.065 90 V CA 3.060 65.425 62.300 0.108 0.000 1.083 90 V CB -1.045 30.842 31.823 0.106 0.000 0.692 90 V HN -0.665 7.584 8.190 0.098 0.000 0.468 91 N N 1.466 120.246 118.700 0.134 0.000 2.084 91 N HA -0.279 nan 4.740 nan 0.000 0.190 91 N C 1.819 177.400 175.510 0.118 0.000 1.030 91 N CA 3.177 56.322 53.050 0.158 0.000 0.849 91 N CB -0.808 37.771 38.487 0.153 0.000 1.012 91 N HN 0.487 8.914 8.380 0.119 0.025 0.423 92 A N -0.033 122.845 122.820 0.098 0.000 1.933 92 A HA -0.247 nan 4.320 nan 0.000 0.218 92 A C 2.334 179.949 177.584 0.053 0.000 1.175 92 A CA 3.034 55.114 52.037 0.073 0.000 0.628 92 A CB -0.534 18.509 19.000 0.072 0.000 0.814 92 A HN -0.511 7.699 8.150 0.101 0.000 0.444 93 R N -1.831 118.713 120.500 0.073 0.000 2.081 93 R HA -0.393 nan 4.340 nan 0.000 0.235 93 R C 2.409 178.764 176.300 0.092 0.000 1.131 93 R CA 3.894 60.038 56.100 0.073 0.000 0.960 93 R CB -0.175 30.173 30.300 0.080 0.000 0.856 93 R HN -0.195 8.125 8.270 0.084 0.000 0.436 94 E N 0.304 120.593 120.200 0.149 0.000 2.023 94 E HA -0.358 nan 4.350 nan 0.000 0.196 94 E C 2.485 179.178 176.600 0.155 0.000 1.003 94 E CA 3.032 59.585 56.400 0.255 0.000 0.809 94 E CB -0.197 29.776 29.700 0.456 0.000 0.755 94 E HN -0.164 8.288 8.360 0.154 0.000 0.449 95 I N -0.347 120.175 120.570 -0.080 0.000 2.113 95 I HA -0.602 nan 4.170 nan 0.000 0.242 95 I C 1.998 178.014 176.117 -0.168 0.000 1.064 95 I CA 4.082 65.138 61.300 -0.406 0.000 1.320 95 I CB -0.266 37.453 38.000 -0.467 0.000 1.028 95 I HN -0.139 8.044 8.210 -0.044 0.000 0.406 96 E N -0.985 119.175 120.200 -0.067 0.000 2.085 96 E HA -0.354 nan 4.350 nan 0.000 0.194 96 E C 2.555 179.147 176.600 -0.014 0.000 0.994 96 E CA 3.335 59.717 56.400 -0.030 0.000 0.801 96 E CB -0.356 29.344 29.700 0.000 0.000 0.743 96 E HN 0.022 8.356 8.360 -0.042 0.000 0.453 97 T N 2.213 116.774 114.554 0.012 0.000 2.788 97 T HA -0.295 nan 4.350 nan 0.000 0.268 97 T C 1.848 176.542 174.700 -0.010 0.000 1.044 97 T CA 4.575 66.687 62.100 0.021 0.000 1.139 97 T CB -0.603 68.301 68.868 0.060 0.000 0.867 97 T HN 0.174 8.325 8.240 0.031 0.108 0.454 98 A N 1.097 123.897 122.820 -0.033 0.000 1.845 98 A HA -0.234 nan 4.320 nan 0.000 0.215 98 A C 1.639 179.171 177.584 -0.087 0.000 1.195 98 A CA 3.331 55.286 52.037 -0.137 0.000 0.616 98 A CB -0.881 18.043 19.000 -0.126 0.000 0.832 98 A HN 0.024 8.087 8.150 0.005 0.089 0.443 99 V N -0.669 119.206 119.914 -0.064 0.000 2.282 99 V HA -0.557 nan 4.120 nan 0.000 0.249 99 V C 2.208 178.326 176.094 0.040 0.000 1.057 99 V CA 4.997 67.295 62.300 -0.003 0.000 1.032 99 V CB -1.114 30.695 31.823 -0.023 0.000 0.645 99 V HN 0.413 8.549 8.190 -0.090 0.000 0.447 100 N N -1.558 117.145 118.700 0.005 0.000 2.289 100 N HA -0.312 nan 4.740 nan 0.000 0.184 100 N C 2.348 177.854 175.510 -0.007 0.000 1.016 100 N CA 3.246 56.295 53.050 -0.002 0.000 0.872 100 N CB -0.649 37.833 38.487 -0.008 0.000 0.973 100 N HN 0.031 8.405 8.380 -0.010 0.000 0.433 101 N N 0.936 119.633 118.700 -0.005 0.000 2.333 101 N HA -0.154 nan 4.740 nan 0.000 0.178 101 N C 1.754 177.266 175.510 0.004 0.000 1.018 101 N CA 2.493 55.535 53.050 -0.014 0.000 0.882 101 N CB 0.449 38.921 38.487 -0.025 0.000 0.984 101 N HN -0.271 7.971 8.380 -0.013 0.130 0.434 102 Y N 1.498 121.735 120.300 -0.104 0.000 2.097 102 Y HA -0.474 nan 4.550 nan 0.000 0.282 102 Y C 1.844 177.699 175.900 -0.075 0.000 1.152 102 Y CA 3.285 61.327 58.100 -0.097 0.000 1.136 102 Y CB 0.016 38.416 38.460 -0.100 0.000 0.975 102 Y HN 0.392 8.661 8.280 0.114 0.080 0.498 103 E N -1.009 119.087 120.200 -0.173 0.000 2.051 103 E HA -0.488 nan 4.350 nan 0.000 0.192 103 E C 1.744 178.216 176.600 -0.213 0.000 0.991 103 E CA 3.217 59.463 56.400 -0.257 0.000 0.799 103 E CB -0.266 29.372 29.700 -0.104 0.000 0.748 103 E HN -0.351 8.032 8.360 0.039 0.000 0.449 104 D N -3.255 117.066 120.400 -0.132 0.000 2.311 104 D HA -0.249 nan 4.640 nan 0.000 0.212 104 D C 1.420 177.645 176.300 -0.124 0.000 0.972 104 D CA 3.134 57.068 54.000 -0.110 0.000 0.887 104 D CB 0.041 40.799 40.800 -0.071 0.000 0.915 104 D HN -0.352 7.962 8.370 -0.094 0.000 0.497 105 S N -1.946 113.660 115.700 -0.157 0.000 2.502 105 S HA 0.024 nan 4.470 nan 0.000 0.215 105 S C 0.912 175.394 174.600 -0.197 0.000 1.009 105 S CA 2.048 60.160 58.200 -0.146 0.000 0.908 105 S CB 0.265 63.408 63.200 -0.095 0.000 0.801 105 S HN -0.426 7.606 8.310 -0.182 0.168 0.505 106 I N -2.994 117.392 120.570 -0.306 0.000 3.035 106 I HA 0.053 nan 4.170 nan 0.000 0.271 106 I C 0.089 176.103 176.117 -0.171 0.000 1.190 106 I CA 0.995 62.120 61.300 -0.291 0.000 1.472 106 I CB 0.600 38.313 38.000 -0.478 0.000 1.116 106 I HN -0.530 7.340 8.210 -0.371 0.117 0.443 107 L N 1.527 122.666 121.223 -0.140 0.000 2.410 107 L HA 0.234 nan 4.340 nan 0.000 0.273 107 L C -1.455 175.390 176.870 -0.041 0.000 1.152 107 L CA -1.561 53.258 54.840 -0.036 0.000 0.855 107 L CB -0.830 41.194 42.059 -0.058 0.000 1.129 107 L HN -0.675 7.447 8.230 -0.180 0.000 0.463 108 P HA 0.234 nan 4.420 nan 0.000 0.273 108 P C -1.484 175.831 177.300 0.024 0.000 1.250 108 P CA -1.187 61.895 63.100 -0.030 0.000 0.793 108 P CB -0.714 31.060 31.700 0.122 0.000 1.011 109 P HA -0.186 nan 4.420 nan 0.000 0.214 109 P C 1.161 178.546 177.300 0.143 0.000 1.162 109 P CA 2.752 65.888 63.100 0.059 0.000 0.879 109 P CB 0.167 31.907 31.700 0.067 0.000 0.786 110 F N -1.181 118.848 119.950 0.131 0.000 2.084 110 F HA -0.348 nan 4.527 nan 0.000 0.296 110 F C 1.484 177.402 175.800 0.196 0.000 1.111 110 F CA 3.613 61.718 58.000 0.175 0.000 1.224 110 F CB 0.178 39.358 39.000 0.300 0.000 0.991 110 F HN -0.651 7.995 8.300 0.406 -0.103 0.471 111 F N -0.039 119.980 119.950 0.116 0.000 2.091 111 F HA -0.534 nan 4.527 nan 0.000 0.299 111 F C 1.545 177.301 175.800 -0.074 0.000 1.103 111 F CA 2.507 60.511 58.000 0.006 0.000 1.228 111 F CB -0.185 38.843 39.000 0.048 0.000 0.984 111 F HN 0.019 8.943 8.300 0.528 -0.308 0.477 112 K N -1.370 118.875 120.400 -0.258 0.000 2.063 112 K HA -0.485 nan 4.320 nan 0.000 0.208 112 K C 2.432 178.864 176.600 -0.280 0.000 1.048 112 K CA 3.694 59.772 56.287 -0.348 0.000 0.928 112 K CB -0.297 32.096 32.500 -0.177 0.000 0.713 112 K HN -0.549 7.681 8.250 -0.024 0.005 0.442 113 S N 0.212 115.781 115.700 -0.218 0.000 2.345 113 S HA -0.272 nan 4.470 nan 0.000 0.220 113 S C 1.933 176.419 174.600 -0.190 0.000 1.031 113 S CA 3.863 61.954 58.200 -0.183 0.000 0.996 113 S CB -0.304 62.781 63.200 -0.192 0.000 0.882 113 S HN -0.540 7.574 8.310 -0.187 0.084 0.445 114 L N 1.753 122.774 121.223 -0.338 0.000 2.012 114 L HA -0.383 nan 4.340 nan 0.000 0.210 114 L C 1.091 177.922 176.870 -0.066 0.000 1.073 114 L CA 3.434 58.148 54.840 -0.211 0.000 0.748 114 L CB -0.401 41.510 42.059 -0.245 0.000 0.891 114 L HN 0.138 8.081 8.230 -0.478 0.000 0.431 115 K N -1.290 118.984 120.400 -0.209 0.000 2.032 115 K HA -0.442 nan 4.320 nan 0.000 0.209 115 K C 2.330 178.857 176.600 -0.121 0.000 1.048 115 K CA 3.618 59.768 56.287 -0.229 0.000 0.927 115 K CB -0.340 31.811 32.500 -0.582 0.000 0.712 115 K HN -0.052 7.992 8.250 -0.344 0.000 0.441 116 E N -1.229 118.901 120.200 -0.117 0.000 2.107 116 E HA -0.279 nan 4.350 nan 0.000 0.191 116 E C 2.068 178.665 176.600 -0.006 0.000 0.982 116 E CA 2.587 58.949 56.400 -0.064 0.000 0.809 116 E CB -0.084 29.577 29.700 -0.066 0.000 0.756 116 E HN -0.682 7.501 8.360 -0.166 0.077 0.459 117 Y N 0.960 121.214 120.300 -0.077 0.000 2.128 117 Y HA -0.411 nan 4.550 nan 0.000 0.284 117 Y C 2.708 178.600 175.900 -0.013 0.000 1.154 117 Y CA 3.958 62.037 58.100 -0.036 0.000 1.149 117 Y CB 0.157 38.599 38.460 -0.029 0.000 0.976 117 Y HN 0.116 8.294 8.280 0.123 0.176 0.505 118 V N -1.811 118.177 119.914 0.123 0.000 2.594 118 V HA -0.415 nan 4.120 nan 0.000 0.253 118 V C 2.038 178.133 176.094 0.001 0.000 1.069 118 V CA 3.465 65.812 62.300 0.077 0.000 1.082 118 V CB -1.321 30.565 31.823 0.104 0.000 0.680 118 V HN 0.067 8.352 8.190 0.158 0.000 0.469 119 S N 0.160 115.845 115.700 -0.026 0.000 2.547 119 S HA -0.174 nan 4.470 nan 0.000 0.235 119 S C 0.973 175.537 174.600 -0.059 0.000 0.980 119 S CA 2.665 60.843 58.200 -0.037 0.000 0.941 119 S CB -0.569 62.604 63.200 -0.045 0.000 0.763 119 S HN -0.343 7.807 8.310 -0.024 0.146 0.532 120 R N -0.363 120.073 120.500 -0.107 0.000 2.254 120 R HA 0.086 nan 4.340 nan 0.000 0.195 120 R C 0.715 176.959 176.300 -0.094 0.000 0.957 120 R CA -0.151 55.872 56.100 -0.129 0.000 1.024 120 R CB 0.212 30.370 30.300 -0.237 0.000 0.952 120 R HN -0.582 7.421 8.270 -0.134 0.187 0.484 121 G N 0.508 109.268 108.800 -0.067 0.000 2.305 121 G HA2 -0.437 nan 3.960 nan 0.000 0.287 121 G HA3 -0.437 nan 3.960 nan 0.000 0.287 121 G C -0.154 174.725 174.900 -0.034 0.000 1.036 121 G CA 0.586 45.669 45.100 -0.027 0.000 0.887 121 G HN -0.539 7.713 8.290 -0.064 0.000 0.505 122 L N -0.945 120.233 121.223 -0.074 0.000 2.499 122 L HA -0.175 nan 4.340 nan 0.000 0.281 122 L C 1.248 178.124 176.870 0.010 0.000 1.234 122 L CA 0.479 55.288 54.840 -0.051 0.000 0.839 122 L CB 0.470 42.469 42.059 -0.098 0.000 1.104 122 L HN -0.070 8.081 8.230 -0.122 0.006 0.500 123 I N 3.034 123.631 120.570 0.044 0.000 2.287 123 I HA 0.023 nan 4.170 nan 0.000 0.290 123 I C -0.808 175.353 176.117 0.074 0.000 1.069 123 I CA -0.414 60.912 61.300 0.044 0.000 1.237 123 I CB -0.296 37.778 38.000 0.124 0.000 1.418 123 I HN 0.029 8.273 8.210 0.056 0.000 0.481 124 Q N 5.844 125.632 119.800 -0.020 0.000 2.294 124 Q HA 0.059 nan 4.340 nan 0.000 0.257 124 Q C -1.138 174.791 176.000 -0.119 0.000 0.955 124 Q CA -0.069 55.743 55.803 0.016 0.000 0.936 124 Q CB 0.592 29.349 28.738 0.032 0.000 1.188 124 Q HN 0.395 8.634 8.270 -0.051 0.000 0.420 125 F N 2.633 122.598 119.950 0.024 0.000 2.688 125 F HA 0.081 nan 4.527 nan 0.000 0.310 125 F C -0.346 175.454 175.800 -0.000 0.000 1.098 125 F CA -0.289 57.715 58.000 0.008 0.000 1.228 125 F CB 1.143 40.145 39.000 0.005 0.000 1.042 125 F HN 0.434 8.923 8.300 0.315 0.000 0.557 126 D N -0.287 120.197 120.400 0.141 0.000 2.469 126 D HA 0.110 nan 4.640 nan 0.000 0.278 126 D C -0.924 175.383 176.300 0.013 0.000 1.231 126 D CA -1.410 52.634 54.000 0.073 0.000 1.075 126 D CB 1.504 42.339 40.800 0.058 0.000 1.121 126 D HN -0.587 7.791 8.370 0.126 0.067 0.571 127 C N -3.904 115.386 119.300 -0.016 0.000 2.358 127 C HA 0.564 nan 4.460 nan 0.000 0.354 127 C C -2.022 172.907 174.990 -0.101 0.000 1.183 127 C CA -3.548 55.436 59.018 -0.057 0.000 2.150 127 C CB -0.158 27.560 27.740 -0.038 0.000 2.361 127 C HN 0.027 8.251 8.230 -0.010 0.000 0.535 128 P HA -0.131 nan 4.420 nan 0.000 0.266 128 P C 0.501 177.665 177.300 -0.227 0.000 1.186 128 P CA 0.473 63.422 63.100 -0.252 0.000 0.767 128 P CB 0.415 31.770 31.700 -0.575 0.000 0.820 129 G N 2.169 110.899 108.800 -0.117 0.000 2.534 129 G HA2 -0.223 nan 3.960 nan 0.000 0.217 129 G HA3 -0.223 nan 3.960 nan 0.000 0.217 129 G C -0.150 174.770 174.900 0.033 0.000 1.128 129 G CA 1.198 46.278 45.100 -0.034 0.000 0.784 129 G HN 0.652 8.894 8.290 -0.079 0.000 0.542 130 H N -2.017 117.113 119.070 0.100 0.000 2.546 130 H HA -0.090 nan 4.556 nan 0.000 0.277 130 H C -0.187 175.217 175.328 0.127 0.000 1.004 130 H CA -1.604 54.516 56.048 0.120 0.000 1.231 130 H CB -1.303 28.493 29.762 0.057 0.000 1.382 130 H HN -0.521 7.639 8.280 -0.138 0.037 0.580 131 Q N -0.226 119.617 119.800 0.072 0.000 2.363 131 Q HA -0.558 nan 4.340 nan 0.000 0.294 131 Q C -0.057 176.074 176.000 0.219 0.000 1.219 131 Q CA 0.998 56.850 55.803 0.082 0.000 0.955 131 Q CB -2.052 26.660 28.738 -0.043 0.000 1.056 131 Q HN -0.591 7.403 8.270 -0.164 0.177 0.297 132 G N -1.597 107.425 108.800 0.369 0.000 2.176 132 G HA2 -0.333 nan 3.960 nan 0.000 0.253 132 G HA3 -0.333 nan 3.960 nan 0.000 0.253 132 G C -0.302 174.851 174.900 0.421 0.000 0.979 132 G CA -0.121 45.191 45.100 0.353 0.000 0.641 132 G HN 0.630 9.153 8.290 0.388 0.000 0.530 133 G N -1.003 108.096 108.800 0.498 0.000 2.143 133 G HA2 -0.412 nan 3.960 nan 0.000 0.249 133 G HA3 -0.412 nan 3.960 nan 0.000 0.249 133 G C 0.696 175.620 174.900 0.040 0.000 0.981 133 G CA 0.349 45.533 45.100 0.141 0.000 0.665 133 G HN -0.497 8.095 8.290 0.804 0.181 0.528 134 Q N -0.560 119.305 119.800 0.108 0.000 2.435 134 Q HA -0.107 nan 4.340 nan 0.000 0.207 134 Q C 0.860 176.901 176.000 0.068 0.000 0.956 134 Q CA 1.343 57.146 55.803 0.000 0.000 0.917 134 Q CB -0.385 28.360 28.738 0.012 0.000 0.997 134 Q HN -0.349 7.996 8.270 0.214 0.053 0.497 135 Y N 0.385 120.654 120.300 -0.052 0.000 2.206 135 Y HA -0.212 nan 4.550 nan 0.000 0.292 135 Y C 1.444 177.287 175.900 -0.095 0.000 1.123 135 Y CA 1.466 59.507 58.100 -0.097 0.000 1.142 135 Y CB 0.047 38.422 38.460 -0.142 0.000 1.006 135 Y HN -0.550 7.836 8.280 0.239 0.038 0.518 136 Y N -1.199 119.072 120.300 -0.048 0.000 2.114 136 Y HA -0.413 nan 4.550 nan 0.000 0.282 136 Y C 1.887 177.710 175.900 -0.127 0.000 1.165 136 Y CA 4.027 62.040 58.100 -0.145 0.000 1.148 136 Y CB -0.435 37.943 38.460 -0.136 0.000 0.972 136 Y HN -0.007 8.267 8.280 -0.011 0.000 0.504 137 R N -3.514 116.906 120.500 -0.134 0.000 2.339 137 R HA -0.165 nan 4.340 nan 0.000 0.199 137 R C 1.070 177.321 176.300 -0.082 0.000 1.018 137 R CA 1.055 57.008 56.100 -0.245 0.000 1.036 137 R CB -1.589 28.300 30.300 -0.684 0.000 0.899 137 R HN -0.605 7.524 8.270 -0.235 0.000 0.473 138 K N -2.461 117.955 120.400 0.027 0.000 2.393 138 K HA -0.025 nan 4.320 nan 0.000 0.193 138 K C 0.239 176.904 176.600 0.109 0.000 1.026 138 K CA 0.469 56.795 56.287 0.066 0.000 1.064 138 K CB 0.772 33.340 32.500 0.113 0.000 0.833 138 K HN -0.555 7.647 8.250 0.070 0.090 0.521 139 H N 0.341 119.430 119.070 0.031 0.000 2.572 139 H HA 0.341 nan 4.556 nan 0.000 0.359 139 H C -1.729 173.618 175.328 0.032 0.000 1.134 139 H CA -2.426 53.641 56.048 0.031 0.000 1.187 139 H CB 2.386 32.161 29.762 0.022 0.000 1.597 139 H HN -0.590 7.730 8.280 0.169 0.062 0.524 140 P HA -0.236 nan 4.420 nan 0.000 0.218 140 P C 0.076 177.394 177.300 0.030 0.000 1.148 140 P CA 2.452 65.459 63.100 -0.156 0.000 0.822 140 P CB 0.337 31.901 31.700 -0.226 0.000 0.784 141 A N -2.443 120.499 122.820 0.203 0.000 1.935 141 A HA -0.040 nan 4.320 nan 0.000 0.214 141 A C 1.965 179.703 177.584 0.257 0.000 1.178 141 A CA 2.743 54.923 52.037 0.239 0.000 0.640 141 A CB -0.687 18.473 19.000 0.265 0.000 0.825 141 A HN -0.538 7.765 8.150 0.289 0.021 0.447 142 G N -1.602 107.397 108.800 0.331 0.000 2.432 142 G HA2 -0.356 nan 3.960 nan 0.000 0.219 142 G HA3 -0.356 nan 3.960 nan 0.000 0.219 142 G C 1.152 176.223 174.900 0.285 0.000 1.135 142 G CA 1.818 47.126 45.100 0.347 0.000 0.767 142 G HN 0.266 8.766 8.290 0.476 0.075 0.550 143 R N 1.363 121.979 120.500 0.193 0.000 2.090 143 R HA -0.177 nan 4.340 nan 0.000 0.228 143 R C 2.013 178.431 176.300 0.196 0.000 1.110 143 R CA 2.365 58.553 56.100 0.147 0.000 0.973 143 R CB -0.494 29.846 30.300 0.068 0.000 0.869 143 R HN 0.288 8.466 8.270 0.176 0.198 0.440 144 E N -0.400 119.905 120.200 0.174 0.000 2.051 144 E HA -0.352 nan 4.350 nan 0.000 0.192 144 E C 2.467 179.204 176.600 0.227 0.000 0.991 144 E CA 3.306 59.798 56.400 0.153 0.000 0.799 144 E CB -0.306 29.453 29.700 0.100 0.000 0.748 144 E HN -0.713 7.741 8.360 0.157 0.000 0.449 145 F N 1.127 121.151 119.950 0.123 0.000 2.102 145 F HA -0.387 nan 4.527 nan 0.000 0.298 145 F C 1.414 177.393 175.800 0.299 0.000 1.105 145 F CA 3.422 61.538 58.000 0.193 0.000 1.239 145 F CB 0.138 39.166 39.000 0.048 0.000 0.991 145 F HN -0.561 7.961 8.300 0.371 0.000 0.474 146 Y N -0.242 120.105 120.300 0.079 0.000 2.181 146 Y HA -0.568 nan 4.550 nan 0.000 0.288 146 Y C 1.600 177.524 175.900 0.040 0.000 1.146 146 Y CA 3.790 61.829 58.100 -0.101 0.000 1.164 146 Y CB 0.121 38.423 38.460 -0.263 0.000 0.982 146 Y HN 0.142 8.537 8.280 0.371 0.108 0.515 147 D N -1.233 119.280 120.400 0.187 0.000 2.277 147 D HA -0.203 nan 4.640 nan 0.000 0.208 147 D C 1.317 177.613 176.300 -0.008 0.000 0.962 147 D CA 2.816 56.858 54.000 0.070 0.000 0.865 147 D CB -0.443 40.433 40.800 0.127 0.000 0.939 147 D HN -0.060 8.369 8.370 0.274 0.105 0.510 148 F N -0.926 118.911 119.950 -0.188 0.000 2.163 148 F HA -0.200 nan 4.527 nan 0.000 0.297 148 F C 0.662 176.104 175.800 -0.597 0.000 1.094 148 F CA 2.481 60.238 58.000 -0.405 0.000 1.290 148 F CB 0.516 39.206 39.000 -0.517 0.000 1.017 148 F HN -0.465 7.771 8.300 0.131 0.143 0.483 149 F N -4.610 115.102 119.950 -0.397 0.000 2.619 149 F HA 0.109 nan 4.527 nan 0.000 0.293 149 F C -0.180 175.424 175.800 -0.326 0.000 1.119 149 F CA 1.259 58.959 58.000 -0.499 0.000 1.445 149 F CB 1.159 39.779 39.000 -0.634 0.000 1.119 149 F HN -0.565 7.581 8.300 -0.256 0.000 0.573 150 G N -1.400 107.334 108.800 -0.110 0.000 2.675 150 G HA2 -0.280 nan 3.960 nan 0.000 0.686 150 G HA3 -0.280 nan 3.960 nan 0.000 0.686 150 G C -1.299 173.536 174.900 -0.109 0.000 1.215 150 G CA -0.756 44.252 45.100 -0.154 0.000 0.777 150 G HN -0.768 7.464 8.290 -0.097 0.000 0.638 151 E N 0.548 120.607 120.200 -0.235 0.000 2.209 151 E HA -0.320 nan 4.350 nan 0.000 0.196 151 E C 1.338 178.039 176.600 0.168 0.000 0.993 151 E CA 2.848 59.194 56.400 -0.089 0.000 0.819 151 E CB -0.044 29.645 29.700 -0.019 0.000 0.745 151 E HN 0.452 8.664 8.360 -0.247 0.000 0.477 152 T N 2.222 116.828 114.554 0.087 0.000 2.701 152 T HA -0.226 nan 4.350 nan 0.000 0.263 152 T C 1.874 176.626 174.700 0.087 0.000 1.040 152 T CA 3.993 66.151 62.100 0.097 0.000 1.147 152 T CB -0.821 68.087 68.868 0.067 0.000 0.865 152 T HN -0.065 8.158 8.240 0.029 0.034 0.426 153 V N 0.559 120.457 119.914 -0.027 0.000 2.660 153 V HA -0.263 nan 4.120 nan 0.000 0.257 153 V C 0.647 176.663 176.094 -0.130 0.000 1.088 153 V CA 2.827 65.045 62.300 -0.136 0.000 1.106 153 V CB -0.583 31.045 31.823 -0.326 0.000 0.686 153 V HN 0.148 8.310 8.190 -0.047 0.000 0.481 154 F N -4.339 115.679 119.950 0.113 0.000 2.262 154 F HA 0.006 nan 4.527 nan 0.000 0.292 154 F C 2.326 178.299 175.800 0.287 0.000 1.081 154 F CA 2.699 60.825 58.000 0.210 0.000 1.355 154 F CB 0.073 39.178 39.000 0.175 0.000 1.069 154 F HN -1.034 7.310 8.300 0.145 0.043 0.506 155 R N -0.298 120.439 120.500 0.394 0.000 2.105 155 R HA -0.293 nan 4.340 nan 0.000 0.239 155 R C 1.378 177.823 176.300 0.243 0.000 1.135 155 R CA 2.116 58.390 56.100 0.290 0.000 0.967 155 R CB -1.034 29.395 30.300 0.216 0.000 0.861 155 R HN -0.136 8.292 8.270 0.380 0.070 0.442 156 A N -3.098 119.848 122.820 0.211 0.000 2.370 156 A HA 0.071 nan 4.320 nan 0.000 0.238 156 A C -1.113 176.572 177.584 0.169 0.000 1.289 156 A CA -0.963 51.182 52.037 0.180 0.000 0.885 156 A CB 0.027 19.120 19.000 0.155 0.000 0.961 156 A HN -0.279 7.972 8.150 0.200 0.018 0.499 157 D N 0.208 120.748 120.400 0.234 0.000 2.479 157 D HA 0.142 nan 4.640 nan 0.000 0.218 157 D C -1.597 174.750 176.300 0.079 0.000 1.131 157 D CA -0.636 53.524 54.000 0.267 0.000 0.916 157 D CB -0.247 40.865 40.800 0.520 0.000 1.022 157 D HN -0.475 7.872 8.370 0.294 0.200 0.515 158 L N 0.649 121.764 121.223 -0.180 0.000 2.271 158 L HA 0.845 nan 4.340 nan 0.000 0.265 158 L C -1.410 175.005 176.870 -0.758 0.000 1.013 158 L CA -1.863 52.735 54.840 -0.403 0.000 0.820 158 L CB 3.955 45.770 42.059 -0.406 0.000 1.352 158 L HN -0.630 7.469 8.230 -0.218 0.000 0.443 159 C N -2.394 116.614 119.300 -0.487 0.000 3.256 159 C HA 0.406 nan 4.460 nan 0.000 0.361 159 C C 0.637 175.548 174.990 -0.132 0.000 1.665 159 C CA -2.629 56.187 59.018 -0.337 0.000 1.445 159 C CB 2.780 30.436 27.740 -0.139 0.000 2.144 159 C HN 0.514 8.825 8.230 -0.301 -0.262 0.448 160 N N 0.399 119.099 118.700 0.001 0.000 2.182 160 N HA -0.475 nan 4.740 nan 0.000 0.192 160 N C 0.946 176.478 175.510 0.038 0.000 1.007 160 N CA 2.899 55.982 53.050 0.055 0.000 0.873 160 N CB -0.712 37.803 38.487 0.047 0.000 0.998 160 N HN 0.492 8.872 8.380 -0.001 0.000 0.436 161 A N -0.928 121.904 122.820 0.020 0.000 2.239 161 A HA -0.071 nan 4.320 nan 0.000 0.209 161 A C -0.132 177.483 177.584 0.052 0.000 1.171 161 A CA 0.593 52.653 52.037 0.038 0.000 0.768 161 A CB 0.227 19.254 19.000 0.044 0.000 0.790 161 A HN -0.547 7.585 8.150 0.004 0.020 0.478 162 D N 0.470 120.876 120.400 0.011 0.000 2.772 162 D HA 0.195 nan 4.640 nan 0.000 0.273 162 D C 0.511 176.772 176.300 -0.063 0.000 1.233 162 D CA -0.304 53.663 54.000 -0.055 0.000 0.984 162 D CB -0.994 39.669 40.800 -0.229 0.000 1.000 162 D HN -0.169 8.000 8.370 -0.006 0.197 0.514 163 V N -2.588 117.342 119.914 0.027 0.000 2.688 163 V HA -0.235 nan 4.120 nan 0.000 0.256 163 V C 1.266 177.383 176.094 0.039 0.000 1.084 163 V CA 2.955 65.282 62.300 0.045 0.000 1.103 163 V CB -0.795 31.064 31.823 0.060 0.000 0.688 163 V HN -0.636 7.533 8.190 0.061 0.058 0.480 164 A N -0.096 122.748 122.820 0.041 0.000 2.125 164 A HA -0.079 nan 4.320 nan 0.000 0.219 164 A C 0.885 178.468 177.584 -0.002 0.000 1.156 164 A CA 2.268 54.346 52.037 0.069 0.000 0.671 164 A CB -0.406 18.736 19.000 0.236 0.000 0.794 164 A HN 0.067 8.218 8.150 0.063 0.037 0.459 165 L N -4.358 116.821 121.223 -0.074 0.000 2.628 165 L HA 0.149 nan 4.340 nan 0.000 0.229 165 L C 0.009 176.955 176.870 0.126 0.000 1.137 165 L CA -0.775 54.049 54.840 -0.026 0.000 0.909 165 L CB -1.867 40.142 42.059 -0.084 0.000 1.137 165 L HN -0.760 7.358 8.230 -0.123 0.039 0.470 166 G N -0.015 108.833 108.800 0.080 0.000 2.632 166 G HA2 -0.364 nan 3.960 nan 0.000 0.224 166 G HA3 -0.364 nan 3.960 nan 0.000 0.224 166 G C -1.600 173.330 174.900 0.051 0.000 1.341 166 G CA -0.510 44.635 45.100 0.074 0.000 0.880 166 G HN -0.223 7.890 8.290 0.051 0.207 0.566 167 D N 0.925 121.339 120.400 0.024 0.000 2.462 167 D HA 0.316 nan 4.640 nan 0.000 0.245 167 D C 0.160 176.421 176.300 -0.065 0.000 1.122 167 D CA -1.646 52.352 54.000 -0.004 0.000 0.864 167 D CB 0.309 41.114 40.800 0.010 0.000 1.098 167 D HN -0.083 8.196 8.370 0.034 0.111 0.541 168 L N 4.347 125.488 121.223 -0.136 0.000 2.291 168 L HA -0.204 nan 4.340 nan 0.000 0.214 168 L C 0.792 177.580 176.870 -0.137 0.000 1.120 168 L CA 2.208 56.932 54.840 -0.194 0.000 0.799 168 L CB 0.076 41.880 42.059 -0.423 0.000 0.925 168 L HN 0.551 8.714 8.230 -0.113 0.000 0.446 169 L N -3.193 117.956 121.223 -0.124 0.000 2.022 169 L HA -0.216 nan 4.340 nan 0.000 0.204 169 L C 1.001 177.646 176.870 -0.376 0.000 1.076 169 L CA 2.877 57.656 54.840 -0.103 0.000 0.749 169 L CB 0.325 42.383 42.059 -0.002 0.000 0.903 169 L HN -0.458 7.869 8.230 -0.080 -0.145 0.439 170 I N -8.155 112.291 120.570 -0.207 0.000 3.735 170 I HA 0.041 nan 4.170 nan 0.000 0.310 170 I C -0.825 175.287 176.117 -0.009 0.000 1.270 170 I CA 0.065 61.311 61.300 -0.089 0.000 1.207 170 I CB 0.233 38.254 38.000 0.035 0.000 1.013 170 I HN -0.843 7.540 8.210 -0.105 -0.235 0.452 171 H N -2.105 117.011 119.070 0.076 0.000 3.074 171 H HA -0.344 nan 4.556 nan 0.000 0.321 171 H C -1.477 173.857 175.328 0.010 0.000 0.981 171 H CA 1.323 57.385 56.048 0.023 0.000 1.019 171 H CB -2.525 27.225 29.762 -0.021 0.000 1.593 171 H HN 0.043 8.076 8.280 -0.404 0.005 0.355 172 E N 0.588 120.840 120.200 0.087 0.000 2.356 172 E HA 0.264 nan 4.350 nan 0.000 0.275 172 E C -0.467 176.172 176.600 0.065 0.000 0.904 172 E CA -1.062 55.379 56.400 0.068 0.000 0.757 172 E CB 3.962 33.695 29.700 0.055 0.000 1.232 172 E HN 0.032 8.313 8.360 0.057 0.112 0.442 173 G N 2.309 111.145 108.800 0.060 0.000 2.527 173 G HA2 -0.358 nan 3.960 nan 0.000 0.268 173 G HA3 -0.358 nan 3.960 nan 0.000 0.268 173 G C -1.851 173.106 174.900 0.096 0.000 1.175 173 G CA 0.736 45.877 45.100 0.068 0.000 0.962 173 G HN 0.408 8.728 8.290 0.050 0.000 0.560 174 P HA -0.124 nan 4.420 nan 0.000 0.218 174 P C 0.491 178.002 177.300 0.352 0.000 1.149 174 P CA 2.559 65.801 63.100 0.235 0.000 0.817 174 P CB -0.048 31.787 31.700 0.225 0.000 0.785 175 A N -2.496 120.480 122.820 0.261 0.000 1.851 175 A HA -0.262 nan 4.320 nan 0.000 0.216 175 A C 2.652 180.303 177.584 0.112 0.000 1.195 175 A CA 3.284 55.375 52.037 0.090 0.000 0.622 175 A CB -0.906 18.037 19.000 -0.095 0.000 0.831 175 A HN -0.208 8.074 8.150 0.220 0.000 0.444 176 V N -0.407 119.557 119.914 0.083 0.000 2.548 176 V HA -0.233 nan 4.120 nan 0.000 0.249 176 V C 1.239 177.312 176.094 -0.035 0.000 1.055 176 V CA 1.937 64.240 62.300 0.006 0.000 1.065 176 V CB -0.793 31.044 31.823 0.024 0.000 0.681 176 V HN -0.447 7.798 8.190 0.092 0.000 0.462 177 A N -0.550 122.290 122.820 0.033 0.000 1.903 177 A HA -0.413 nan 4.320 nan 0.000 0.219 177 A C 1.818 179.428 177.584 0.043 0.000 1.191 177 A CA 3.519 55.579 52.037 0.038 0.000 0.638 177 A CB -0.923 18.121 19.000 0.073 0.000 0.823 177 A HN 0.063 8.254 8.150 0.068 0.000 0.451 178 A N -2.896 119.969 122.820 0.075 0.000 1.929 178 A HA -0.253 nan 4.320 nan 0.000 0.216 178 A C 2.309 179.805 177.584 -0.147 0.000 1.176 178 A CA 2.725 54.817 52.037 0.093 0.000 0.628 178 A CB -0.699 18.446 19.000 0.241 0.000 0.816 178 A HN -0.158 8.055 8.150 0.119 0.007 0.444 179 E N -1.183 118.754 120.200 -0.438 0.000 2.150 179 E HA -0.361 nan 4.350 nan 0.000 0.193 179 E C 2.586 178.982 176.600 -0.339 0.000 0.985 179 E CA 3.070 59.036 56.400 -0.723 0.000 0.814 179 E CB -0.081 29.176 29.700 -0.739 0.000 0.752 179 E HN -0.529 7.559 8.360 -0.317 0.081 0.466 180 K N -1.999 118.289 120.400 -0.187 0.000 2.217 180 K HA -0.265 nan 4.320 nan 0.000 0.202 180 K C 1.999 178.601 176.600 0.003 0.000 1.051 180 K CA 3.133 59.359 56.287 -0.102 0.000 0.952 180 K CB -0.228 32.226 32.500 -0.076 0.000 0.736 180 K HN -0.014 8.124 8.250 -0.164 0.014 0.453 181 H N 0.607 119.654 119.070 -0.039 0.000 2.395 181 H HA -0.194 nan 4.556 nan 0.000 0.299 181 H C 1.381 176.750 175.328 0.069 0.000 1.070 181 H CA 3.299 59.358 56.048 0.017 0.000 1.356 181 H CB 0.622 30.409 29.762 0.041 0.000 1.401 181 H HN -0.634 7.604 8.280 0.121 0.115 0.524 182 A N -1.283 121.543 122.820 0.009 0.000 1.902 182 A HA -0.359 nan 4.320 nan 0.000 0.217 182 A C 1.489 179.164 177.584 0.151 0.000 1.181 182 A CA 3.094 55.211 52.037 0.133 0.000 0.623 182 A CB -0.942 18.241 19.000 0.305 0.000 0.818 182 A HN -0.098 7.990 8.150 0.053 0.095 0.443 183 A N -1.795 121.056 122.820 0.051 0.000 1.877 183 A HA -0.301 nan 4.320 nan 0.000 0.216 183 A C 2.400 179.981 177.584 -0.004 0.000 1.186 183 A CA 3.028 55.084 52.037 0.030 0.000 0.620 183 A CB -0.743 18.238 19.000 -0.031 0.000 0.822 183 A HN -0.454 7.590 8.150 -0.005 0.103 0.443 184 R N -2.696 117.786 120.500 -0.030 0.000 2.081 184 R HA -0.221 nan 4.340 nan 0.000 0.235 184 R C 2.920 179.173 176.300 -0.079 0.000 1.131 184 R CA 1.496 57.572 56.100 -0.039 0.000 0.960 184 R CB -0.964 29.335 30.300 -0.002 0.000 0.856 184 R HN -0.251 8.004 8.270 -0.025 0.000 0.436 185 V N -0.510 119.306 119.914 -0.164 0.000 2.427 185 V HA -0.210 nan 4.120 nan 0.000 0.248 185 V C 1.621 177.573 176.094 -0.236 0.000 1.051 185 V CA 3.451 65.609 62.300 -0.236 0.000 1.048 185 V CB -0.439 31.138 31.823 -0.411 0.000 0.666 185 V HN -0.009 8.051 8.190 -0.216 0.000 0.456 186 Y N -4.756 115.486 120.300 -0.096 0.000 2.457 186 Y HA 0.071 nan 4.550 nan 0.000 0.263 186 Y C -0.262 175.490 175.900 -0.247 0.000 1.164 186 Y CA -0.397 57.574 58.100 -0.214 0.000 1.274 186 Y CB -0.031 38.092 38.460 -0.562 0.000 1.097 186 Y HN -0.223 7.998 8.280 0.055 0.092 0.523 187 N N -2.048 116.621 118.700 -0.052 0.000 2.776 187 N HA -0.401 nan 4.740 nan 0.000 0.249 187 N C -1.460 174.018 175.510 -0.054 0.000 1.111 187 N CA 0.841 53.856 53.050 -0.058 0.000 0.711 187 N CB -0.602 37.841 38.487 -0.074 0.000 1.065 187 N HN -0.239 8.066 8.380 -0.043 0.049 0.556 188 A N -3.485 119.307 122.820 -0.046 0.000 2.282 188 A HA 0.446 nan 4.320 nan 0.000 0.324 188 A C -0.891 176.696 177.584 0.006 0.000 1.119 188 A CA -1.078 50.951 52.037 -0.013 0.000 0.880 188 A CB 2.803 21.807 19.000 0.007 0.000 1.294 188 A HN -0.556 7.570 8.150 -0.040 0.000 0.493 189 D N -1.795 118.621 120.400 0.026 0.000 2.327 189 D HA 0.050 nan 4.640 nan 0.000 0.205 189 D C -0.227 176.056 176.300 -0.030 0.000 0.989 189 D CA 1.569 55.575 54.000 0.010 0.000 0.873 189 D CB 1.223 42.048 40.800 0.041 0.000 0.955 189 D HN 0.223 8.520 8.370 0.050 0.104 0.515 190 K N -1.911 118.471 120.400 -0.030 0.000 2.570 190 K HA 0.226 nan 4.320 nan 0.000 0.256 190 K C -2.618 173.912 176.600 -0.118 0.000 0.939 190 K CA -0.562 55.626 56.287 -0.166 0.000 0.833 190 K CB 3.197 35.588 32.500 -0.181 0.000 1.318 190 K HN -0.619 7.647 8.250 0.026 0.000 0.433 191 T N 5.774 120.185 114.554 -0.239 0.000 2.823 191 T HA 0.620 nan 4.350 nan 0.000 0.279 191 T C -0.984 173.473 174.700 -0.405 0.000 0.998 191 T CA -0.443 61.598 62.100 -0.100 0.000 0.994 191 T CB 1.245 70.149 68.868 0.059 0.000 0.960 191 T HN 0.290 8.320 8.240 -0.351 0.000 0.448 192 Y N 4.132 124.367 120.300 -0.109 0.000 2.335 192 Y HA 0.194 nan 4.550 nan 0.000 0.338 192 Y C -0.945 175.065 175.900 0.183 0.000 0.977 192 Y CA -2.214 55.807 58.100 -0.130 0.000 1.114 192 Y CB 2.428 40.796 38.460 -0.154 0.000 1.182 192 Y HN 0.637 9.039 8.280 0.203 0.000 0.463 193 F N 3.897 123.919 119.950 0.120 0.000 2.421 193 F HA 0.261 nan 4.527 nan 0.000 0.358 193 F C -0.318 175.694 175.800 0.353 0.000 1.115 193 F CA -1.672 56.378 58.000 0.084 0.000 1.160 193 F CB -0.474 38.381 39.000 -0.242 0.000 1.123 193 F HN 0.151 8.935 8.300 0.258 -0.330 0.508 194 V N 6.395 126.534 119.914 0.376 0.000 2.384 194 V HA 0.318 nan 4.120 nan 0.000 0.287 194 V C -0.689 175.486 176.094 0.134 0.000 1.020 194 V CA -1.078 61.398 62.300 0.293 0.000 0.850 194 V CB 0.922 32.887 31.823 0.237 0.000 0.987 194 V HN 0.941 9.170 8.190 0.225 0.096 0.436 195 L N 5.550 126.855 121.223 0.136 0.000 2.791 195 L HA 0.270 nan 4.340 nan 0.000 0.239 195 L C 0.045 176.952 176.870 0.061 0.000 1.203 195 L CA -0.058 54.847 54.840 0.108 0.000 1.002 195 L CB -0.674 41.491 42.059 0.178 0.000 1.295 195 L HN 0.036 8.358 8.230 0.153 0.000 0.504 196 G N -2.783 106.037 108.800 0.032 0.000 3.863 196 G HA2 0.189 nan 3.960 nan 0.000 0.290 196 G HA3 0.189 nan 3.960 nan 0.000 0.290 196 G C -0.596 174.298 174.900 -0.011 0.000 1.018 196 G CA -0.756 44.349 45.100 0.009 0.000 0.824 196 G HN -0.187 8.049 8.290 0.038 0.076 0.507 197 G N -0.305 108.490 108.800 -0.010 0.000 2.755 197 G HA2 -0.384 nan 3.960 nan 0.000 0.686 197 G HA3 -0.384 nan 3.960 nan 0.000 0.686 197 G C 0.584 175.467 174.900 -0.028 0.000 1.427 197 G CA -0.446 44.651 45.100 -0.005 0.000 0.873 197 G HN -0.473 7.695 8.290 0.004 0.125 0.580 198 S N 1.835 117.504 115.700 -0.050 0.000 2.465 198 S HA -0.414 nan 4.470 nan 0.000 0.241 198 S C 1.869 176.382 174.600 -0.145 0.000 1.000 198 S CA 3.719 61.846 58.200 -0.122 0.000 0.964 198 S CB -0.279 62.799 63.200 -0.204 0.000 0.763 198 S HN 0.555 8.865 8.310 -0.001 0.000 0.512 199 S N 3.606 119.231 115.700 -0.125 0.000 2.380 199 S HA -0.320 nan 4.470 nan 0.000 0.217 199 S C 1.841 176.361 174.600 -0.134 0.000 1.036 199 S CA 3.518 61.661 58.200 -0.095 0.000 1.050 199 S CB -0.486 62.701 63.200 -0.022 0.000 1.016 199 S HN 0.122 8.327 8.310 -0.099 0.046 0.419 200 N N 1.269 119.893 118.700 -0.128 0.000 2.348 200 N HA -0.253 nan 4.740 nan 0.000 0.185 200 N C 1.812 177.189 175.510 -0.221 0.000 1.019 200 N CA 2.703 55.623 53.050 -0.217 0.000 0.880 200 N CB -0.169 38.260 38.487 -0.096 0.000 0.965 200 N HN -0.691 7.642 8.380 -0.079 0.000 0.437 201 A N 0.611 123.360 122.820 -0.118 0.000 1.877 201 A HA -0.315 nan 4.320 nan 0.000 0.216 201 A C 1.806 179.323 177.584 -0.111 0.000 1.186 201 A CA 3.283 55.283 52.037 -0.061 0.000 0.620 201 A CB -0.605 18.378 19.000 -0.028 0.000 0.822 201 A HN 0.034 7.987 8.150 -0.098 0.138 0.443 202 N N -1.125 117.492 118.700 -0.138 0.000 2.104 202 N HA -0.444 nan 4.740 nan 0.000 0.190 202 N C 2.214 177.600 175.510 -0.207 0.000 1.024 202 N CA 3.243 56.215 53.050 -0.131 0.000 0.853 202 N CB -0.178 38.248 38.487 -0.103 0.000 1.008 202 N HN 0.066 8.260 8.380 -0.140 0.102 0.424 203 N N -0.733 117.742 118.700 -0.375 0.000 2.192 203 N HA -0.241 nan 4.740 nan 0.000 0.188 203 N C 1.916 177.076 175.510 -0.583 0.000 1.013 203 N CA 3.179 55.811 53.050 -0.696 0.000 0.863 203 N CB -0.284 37.287 38.487 -1.527 0.000 0.990 203 N HN -0.261 7.846 8.380 -0.351 0.062 0.430 204 T N 3.443 117.780 114.554 -0.361 0.000 2.851 204 T HA -0.159 nan 4.350 nan 0.000 0.262 204 T C 1.675 176.182 174.700 -0.322 0.000 1.043 204 T CA 4.069 66.071 62.100 -0.164 0.000 1.140 204 T CB -0.109 68.697 68.868 -0.104 0.000 0.872 204 T HN -0.424 7.460 8.240 -0.338 0.154 0.446 205 V N 1.120 120.907 119.914 -0.212 0.000 2.216 205 V HA -0.448 nan 4.120 nan 0.000 0.243 205 V C 1.709 177.743 176.094 -0.100 0.000 1.044 205 V CA 4.841 67.081 62.300 -0.101 0.000 0.995 205 V CB -1.145 30.689 31.823 0.019 0.000 0.633 205 V HN -0.186 7.825 8.190 -0.154 0.087 0.446 206 T N -2.672 111.840 114.554 -0.070 0.000 2.635 206 T HA -0.413 nan 4.350 nan 0.000 0.267 206 T C 2.079 176.764 174.700 -0.024 0.000 1.040 206 T CA 4.519 66.601 62.100 -0.031 0.000 1.156 206 T CB -0.662 68.202 68.868 -0.005 0.000 0.863 206 T HN -0.016 8.176 8.240 -0.080 0.000 0.430 207 S N 2.728 118.417 115.700 -0.018 0.000 2.537 207 S HA -0.208 nan 4.470 nan 0.000 0.240 207 S C 0.427 175.017 174.600 -0.017 0.000 0.981 207 S CA 2.485 60.712 58.200 0.044 0.000 0.948 207 S CB -0.484 62.842 63.200 0.211 0.000 0.759 207 S HN -0.436 7.846 8.310 -0.047 0.000 0.531 208 A N 0.328 123.082 122.820 -0.110 0.000 1.909 208 A HA 0.029 nan 4.320 nan 0.000 0.209 208 A C 0.764 178.312 177.584 -0.060 0.000 1.247 208 A CA 1.713 53.663 52.037 -0.146 0.000 0.660 208 A CB 0.420 19.188 19.000 -0.387 0.000 0.910 208 A HN -0.447 7.422 8.150 -0.138 0.198 0.465 209 L N -2.328 118.853 121.223 -0.070 0.000 2.004 209 L HA -0.041 nan 4.340 nan 0.000 0.205 209 L C 1.473 178.348 176.870 0.009 0.000 1.089 209 L CA 1.776 56.585 54.840 -0.050 0.000 0.756 209 L CB -0.062 41.942 42.059 -0.091 0.000 0.900 209 L HN -0.437 7.739 8.230 -0.090 0.000 0.440 210 V N -0.208 119.719 119.914 0.022 0.000 2.539 210 V HA -0.235 nan 4.120 nan 0.000 0.300 210 V C -0.248 175.871 176.094 0.041 0.000 1.019 210 V CA 0.924 63.251 62.300 0.045 0.000 1.160 210 V CB -1.170 30.683 31.823 0.050 0.000 0.901 210 V HN -0.580 7.614 8.190 0.008 0.000 0.481 211 S N 7.811 123.537 115.700 0.043 0.000 2.651 211 S HA 0.180 nan 4.470 nan 0.000 0.291 211 S C -1.299 173.309 174.600 0.013 0.000 1.141 211 S CA -1.216 57.003 58.200 0.030 0.000 1.027 211 S CB 2.175 65.395 63.200 0.033 0.000 1.043 211 S HN 0.123 8.686 8.310 0.055 -0.220 0.530 212 N N 0.275 118.964 118.700 -0.019 0.000 2.412 212 N HA -0.291 nan 4.740 nan 0.000 0.258 212 N C 0.460 175.932 175.510 -0.063 0.000 1.236 212 N CA 1.595 54.597 53.050 -0.080 0.000 0.882 212 N CB -0.082 38.313 38.487 -0.153 0.000 1.066 212 N HN -0.074 8.298 8.380 -0.013 0.000 0.465 213 G N 5.634 114.388 108.800 -0.076 0.000 2.153 213 G HA2 -0.588 nan 3.960 nan 0.000 0.252 213 G HA3 -0.588 nan 3.960 nan 0.000 0.252 213 G C -1.205 173.697 174.900 0.003 0.000 0.994 213 G CA 0.182 45.255 45.100 -0.045 0.000 0.698 213 G HN 0.742 8.869 8.290 -0.103 0.101 0.521 214 D N -0.533 119.881 120.400 0.024 0.000 2.283 214 D HA 0.248 nan 4.640 nan 0.000 0.248 214 D C -0.803 175.535 176.300 0.063 0.000 1.072 214 D CA -0.352 53.687 54.000 0.066 0.000 0.929 214 D CB 1.631 42.484 40.800 0.088 0.000 1.182 214 D HN -0.630 7.708 8.370 0.011 0.039 0.433 215 L N 1.442 122.715 121.223 0.084 0.000 2.363 215 L HA 0.172 nan 4.340 nan 0.000 0.286 215 L C -0.776 176.254 176.870 0.267 0.000 1.106 215 L CA -0.188 54.724 54.840 0.120 0.000 0.859 215 L CB -0.171 41.888 42.059 0.000 0.000 1.223 215 L HN 0.473 8.761 8.230 0.097 0.000 0.446 216 V N 6.018 126.033 119.914 0.169 0.000 2.353 216 V HA 0.124 nan 4.120 nan 0.000 0.264 216 V C -0.733 175.413 176.094 0.088 0.000 1.049 216 V CA -1.208 61.181 62.300 0.148 0.000 0.896 216 V CB -0.473 31.417 31.823 0.112 0.000 1.025 216 V HN 0.459 8.588 8.190 0.084 0.111 0.475 217 L N 9.007 130.161 121.223 -0.115 0.000 2.565 217 L HA 0.071 nan 4.340 nan 0.000 0.275 217 L C -1.939 174.836 176.870 -0.158 0.000 1.137 217 L CA -0.074 54.525 54.840 -0.401 0.000 0.915 217 L CB 0.084 41.593 42.059 -0.916 0.000 1.232 217 L HN 0.147 8.323 8.230 -0.089 0.000 0.473 218 F N 8.931 128.684 119.950 -0.327 0.000 2.391 218 F HA 0.247 nan 4.527 nan 0.000 0.359 218 F C -1.623 174.130 175.800 -0.079 0.000 1.122 218 F CA -1.406 56.411 58.000 -0.305 0.000 1.120 218 F CB 2.019 40.632 39.000 -0.645 0.000 1.142 218 F HN 0.805 8.956 8.300 -0.067 0.109 0.483 219 D N 5.870 126.055 120.400 -0.360 0.000 2.371 219 D HA -0.061 nan 4.640 nan 0.000 0.256 219 D C 0.793 177.130 176.300 0.061 0.000 1.193 219 D CA -0.206 53.750 54.000 -0.073 0.000 0.881 219 D CB 1.289 42.017 40.800 -0.119 0.000 1.143 219 D HN -0.254 7.701 8.370 -0.692 0.000 0.473 220 R N 6.873 127.567 120.500 0.322 0.000 2.328 220 R HA -0.129 nan 4.340 nan 0.000 0.207 220 R C 0.468 177.062 176.300 0.489 0.000 1.056 220 R CA 1.243 57.643 56.100 0.500 0.000 1.016 220 R CB -0.106 30.466 30.300 0.453 0.000 0.872 220 R HN -0.054 8.412 8.270 0.328 0.000 0.471 221 N N -2.649 116.198 118.700 0.244 0.000 2.353 221 N HA 0.023 nan 4.740 nan 0.000 0.185 221 N C -0.023 175.582 175.510 0.158 0.000 1.098 221 N CA 0.257 53.365 53.050 0.097 0.000 0.872 221 N CB 0.279 38.768 38.487 0.003 0.000 0.970 221 N HN -0.654 8.029 8.380 0.190 -0.189 0.467 222 N N -0.158 118.655 118.700 0.189 0.000 2.356 222 N HA -0.241 nan 4.740 nan 0.000 0.252 222 N C -1.006 174.672 175.510 0.279 0.000 1.241 222 N CA 0.957 54.103 53.050 0.160 0.000 0.861 222 N CB 0.605 39.014 38.487 -0.129 0.000 1.075 222 N HN -0.639 7.684 8.380 0.178 0.164 0.461 223 H N 3.808 122.923 119.070 0.076 0.000 2.871 223 H HA -0.097 nan 4.556 nan 0.000 0.355 223 H C 1.360 176.675 175.328 -0.022 0.000 1.092 223 H CA 1.147 57.201 56.048 0.009 0.000 1.420 223 H CB 1.950 31.710 29.762 -0.002 0.000 1.400 223 H HN 0.329 8.749 8.280 0.234 0.000 0.604 224 K N 5.208 125.260 120.400 -0.579 0.000 2.144 224 K HA -0.530 nan 4.320 nan 0.000 0.209 224 K C 1.893 178.469 176.600 -0.039 0.000 1.047 224 K CA 3.435 59.361 56.287 -0.602 0.000 0.927 224 K CB -0.472 31.622 32.500 -0.678 0.000 0.716 224 K HN 0.670 8.360 8.250 -0.932 0.000 0.454 225 S N -0.746 115.091 115.700 0.228 0.000 2.400 225 S HA -0.268 nan 4.470 nan 0.000 0.232 225 S C 2.159 176.856 174.600 0.161 0.000 1.025 225 S CA 3.018 61.355 58.200 0.229 0.000 0.993 225 S CB -0.445 62.904 63.200 0.248 0.000 0.808 225 S HN -0.248 8.301 8.310 0.455 0.034 0.478 226 V N 2.275 122.316 119.914 0.211 0.000 2.379 226 V HA -0.231 nan 4.120 nan 0.000 0.243 226 V C 1.752 178.073 176.094 0.378 0.000 1.035 226 V CA 3.904 66.328 62.300 0.206 0.000 1.035 226 V CB -0.964 30.911 31.823 0.086 0.000 0.673 226 V HN 0.033 8.251 8.190 0.254 0.124 0.457 227 Y N -0.251 120.274 120.300 0.375 0.000 2.040 227 Y HA -0.604 nan 4.550 nan 0.000 0.275 227 Y C 2.235 178.247 175.900 0.186 0.000 1.171 227 Y CA 4.668 62.967 58.100 0.332 0.000 1.123 227 Y CB -0.725 37.942 38.460 0.344 0.000 0.963 227 Y HN -0.736 7.932 8.280 0.646 0.000 0.493 228 N N -2.470 116.442 118.700 0.354 0.000 2.149 228 N HA -0.356 nan 4.740 nan 0.000 0.188 228 N C 2.320 177.910 175.510 0.134 0.000 1.019 228 N CA 3.047 56.228 53.050 0.218 0.000 0.857 228 N CB -0.478 38.116 38.487 0.177 0.000 0.997 228 N HN -0.034 8.569 8.380 0.371 0.000 0.426 229 S N 0.026 115.792 115.700 0.109 0.000 2.371 229 S HA -0.078 nan 4.470 nan 0.000 0.221 229 S C 1.683 176.325 174.600 0.070 0.000 1.036 229 S CA 3.315 61.547 58.200 0.053 0.000 0.965 229 S CB -0.140 63.039 63.200 -0.034 0.000 0.845 229 S HN -0.539 7.849 8.310 0.131 0.000 0.475 230 A N 1.285 124.160 122.820 0.092 0.000 1.874 230 A HA -0.032 nan 4.320 nan 0.000 0.214 230 A C 1.734 179.342 177.584 0.041 0.000 1.189 230 A CA 2.883 54.971 52.037 0.084 0.000 0.615 230 A CB -0.364 18.735 19.000 0.165 0.000 0.830 230 A HN 0.157 8.383 8.150 0.127 0.000 0.443 231 L N -2.631 118.586 121.223 -0.011 0.000 2.194 231 L HA -0.102 nan 4.340 nan 0.000 0.197 231 L C 2.676 179.583 176.870 0.062 0.000 1.106 231 L CA 2.479 57.286 54.840 -0.056 0.000 0.785 231 L CB 0.012 41.932 42.059 -0.230 0.000 0.960 231 L HN -0.415 7.825 8.230 0.017 0.000 0.465 232 A N -1.909 120.958 122.820 0.078 0.000 2.015 232 A HA -0.235 nan 4.320 nan 0.000 0.219 232 A C 1.343 178.963 177.584 0.060 0.000 1.163 232 A CA 2.784 54.861 52.037 0.067 0.000 0.646 232 A CB -0.449 18.586 19.000 0.058 0.000 0.806 232 A HN -0.446 7.758 8.150 0.089 0.000 0.448 233 M N -3.036 116.627 119.600 0.104 0.000 2.369 233 M HA -0.084 nan 4.480 nan 0.000 0.254 233 M C 1.843 178.275 176.300 0.221 0.000 1.136 233 M CA 2.231 57.605 55.300 0.123 0.000 1.190 233 M CB 0.961 33.626 32.600 0.109 0.000 1.289 233 M HN -0.368 7.963 8.290 0.104 0.021 0.468 234 A N -3.538 119.384 122.820 0.169 0.000 2.070 234 A HA -0.104 nan 4.320 nan 0.000 0.220 234 A C 0.659 178.333 177.584 0.150 0.000 1.159 234 A CA 0.898 53.022 52.037 0.145 0.000 0.656 234 A CB 0.102 19.154 19.000 0.087 0.000 0.800 234 A HN -0.086 8.031 8.150 0.128 0.109 0.453 235 G N -2.011 106.922 108.800 0.223 0.000 2.212 235 G HA2 -0.348 nan 3.960 nan 0.000 0.255 235 G HA3 -0.348 nan 3.960 nan 0.000 0.255 235 G C -0.374 174.536 174.900 0.018 0.000 1.062 235 G CA -0.377 44.811 45.100 0.147 0.000 0.815 235 G HN -0.625 7.769 8.290 0.227 0.033 0.497 236 G N -0.686 108.129 108.800 0.026 0.000 2.588 236 G HA2 0.459 nan 3.960 nan 0.000 0.281 236 G HA3 0.459 nan 3.960 nan 0.000 0.281 236 G C -2.291 172.586 174.900 -0.038 0.000 1.236 236 G CA -0.918 44.180 45.100 -0.004 0.000 0.969 236 G HN -0.311 8.006 8.290 0.046 0.000 0.504 237 R N -1.435 119.041 120.500 -0.040 0.000 2.388 237 R HA 0.464 nan 4.340 nan 0.000 0.314 237 R C -1.922 174.320 176.300 -0.096 0.000 0.959 237 R CA -3.353 52.712 56.100 -0.058 0.000 0.851 237 R CB 2.239 32.523 30.300 -0.027 0.000 1.168 237 R HN 0.150 8.414 8.270 -0.009 0.000 0.472 238 P HA 0.454 nan 4.420 nan 0.000 0.276 238 P C -1.227 175.899 177.300 -0.290 0.000 1.252 238 P CA -0.383 62.447 63.100 -0.450 0.000 0.802 238 P CB 0.994 32.056 31.700 -1.062 0.000 1.035 239 V N -1.268 118.489 119.914 -0.262 0.000 2.555 239 V HA 0.234 nan 4.120 nan 0.000 0.283 239 V C -1.312 174.753 176.094 -0.048 0.000 1.020 239 V CA -0.255 62.041 62.300 -0.008 0.000 0.883 239 V CB 1.517 33.458 31.823 0.196 0.000 1.030 239 V HN -0.225 7.790 8.190 -0.291 0.000 0.448 240 Y N 5.520 125.967 120.300 0.245 0.000 2.357 240 Y HA 0.373 nan 4.550 nan 0.000 0.340 240 Y C 0.106 176.211 175.900 0.341 0.000 1.260 240 Y CA -0.053 58.233 58.100 0.310 0.000 1.425 240 Y CB 0.936 39.587 38.460 0.319 0.000 1.326 240 Y HN -0.018 8.473 8.280 0.352 0.000 0.580 241 L N -0.258 121.268 121.223 0.505 0.000 2.406 241 L HA 0.346 nan 4.340 nan 0.000 0.272 241 L C -1.336 175.837 176.870 0.506 0.000 0.980 241 L CA -1.535 53.538 54.840 0.388 0.000 0.831 241 L CB 1.621 43.839 42.059 0.265 0.000 1.253 241 L HN -0.011 8.532 8.230 0.523 0.000 0.406 242 Q N 1.379 121.482 119.800 0.505 0.000 2.454 242 Q HA 0.112 nan 4.340 nan 0.000 0.247 242 Q C -0.222 176.129 176.000 0.584 0.000 1.028 242 Q CA -0.214 55.958 55.803 0.615 0.000 0.910 242 Q CB 0.519 29.438 28.738 0.302 0.000 1.276 242 Q HN -0.024 8.591 8.270 0.344 -0.139 0.489 243 T N 0.255 115.162 114.554 0.587 0.000 2.908 243 T HA 0.357 nan 4.350 nan 0.000 0.290 243 T C -0.788 174.044 174.700 0.219 0.000 1.034 243 T CA -0.999 61.304 62.100 0.339 0.000 1.010 243 T CB 1.741 70.728 68.868 0.198 0.000 1.068 243 T HN 0.468 8.980 8.240 0.659 0.123 0.481 244 N N 3.164 121.737 118.700 -0.212 0.000 2.488 244 N HA 0.114 nan 4.740 nan 0.000 0.274 244 N C -1.907 173.549 175.510 -0.090 0.000 1.111 244 N CA 1.160 53.995 53.050 -0.359 0.000 0.974 244 N CB 1.615 39.651 38.487 -0.751 0.000 1.089 244 N HN 0.064 8.282 8.380 -0.270 0.000 0.465 245 R N 2.440 122.977 120.500 0.063 0.000 2.922 245 R HA 0.371 nan 4.340 nan 0.000 0.256 245 R C -2.777 173.546 176.300 0.037 0.000 1.138 245 R CA -1.595 54.570 56.100 0.108 0.000 0.995 245 R CB 4.282 34.635 30.300 0.088 0.000 1.226 245 R HN 0.373 8.679 8.270 0.061 0.000 0.481 246 N N -3.822 114.815 118.700 -0.105 0.000 3.020 246 N HA 0.340 nan 4.740 nan 0.000 0.248 246 N C -1.742 173.478 175.510 -0.483 0.000 1.480 246 N CA -1.387 51.480 53.050 -0.304 0.000 0.874 246 N CB 1.011 39.176 38.487 -0.536 0.000 1.433 246 N HN -0.136 8.194 8.380 -0.083 0.000 0.530 247 P HA -0.233 nan 4.420 nan 0.000 0.219 247 P C -1.219 175.261 177.300 -1.368 0.000 1.144 247 P CA 2.485 64.550 63.100 -1.725 0.000 0.806 247 P CB 0.013 30.693 31.700 -1.700 0.000 0.771 248 Y N -7.320 112.426 120.300 -0.924 0.000 2.482 248 Y HA -0.070 nan 4.550 nan 0.000 0.270 248 Y C 0.438 175.861 175.900 -0.794 0.000 1.152 248 Y CA 0.438 57.925 58.100 -1.022 0.000 1.292 248 Y CB 0.112 37.522 38.460 -1.751 0.000 1.070 248 Y HN -0.441 7.343 8.280 -0.768 0.035 0.528 249 G N -1.915 106.651 108.800 -0.390 0.000 2.179 249 G HA2 -0.458 nan 3.960 nan 0.000 0.260 249 G HA3 -0.458 nan 3.960 nan 0.000 0.260 249 G C -0.707 174.165 174.900 -0.046 0.000 0.977 249 G CA 0.133 45.135 45.100 -0.163 0.000 0.641 249 G HN 0.043 7.864 8.290 -0.441 0.204 0.533 250 F N -1.111 118.741 119.950 -0.164 0.000 2.623 250 F HA -0.219 nan 4.527 nan 0.000 0.383 250 F C 0.706 176.471 175.800 -0.058 0.000 1.077 250 F CA -1.158 56.749 58.000 -0.155 0.000 1.268 250 F CB -0.275 38.583 39.000 -0.237 0.000 1.053 250 F HN -0.722 7.274 8.300 -0.341 0.099 0.571 251 I N 5.908 126.529 120.570 0.086 0.000 2.494 251 I HA -0.134 nan 4.170 nan 0.000 0.289 251 I C -0.032 176.052 176.117 -0.055 0.000 1.106 251 I CA 0.597 61.868 61.300 -0.049 0.000 1.369 251 I CB -0.930 37.014 38.000 -0.093 0.000 1.410 251 I HN 0.230 8.806 8.210 0.059 -0.331 0.523 252 G N 6.977 115.682 108.800 -0.159 0.000 2.557 252 G HA2 0.472 nan 3.960 nan 0.000 0.302 252 G HA3 0.472 nan 3.960 nan 0.000 0.302 252 G C -1.209 173.425 174.900 -0.444 0.000 1.311 252 G CA -1.693 43.080 45.100 -0.544 0.000 1.030 252 G HN -0.029 8.188 8.290 -0.121 0.000 0.509 253 G N -2.631 105.711 108.800 -0.763 0.000 2.525 253 G HA2 0.522 nan 3.960 nan 0.000 0.287 253 G HA3 0.522 nan 3.960 nan 0.000 0.287 253 G C -1.228 173.433 174.900 -0.398 0.000 1.350 253 G CA -1.721 42.915 45.100 -0.774 0.000 1.039 253 G HN 0.160 7.848 8.290 -1.003 0.000 0.513 254 I N -0.111 120.390 120.570 -0.115 0.000 2.575 254 I HA -0.040 nan 4.170 nan 0.000 0.285 254 I C 0.216 176.209 176.117 -0.207 0.000 1.085 254 I CA 0.320 61.603 61.300 -0.028 0.000 1.403 254 I CB 0.401 38.473 38.000 0.120 0.000 1.409 254 I HN -0.505 7.675 8.210 -0.050 0.000 0.557 255 Y N 7.594 127.801 120.300 -0.154 0.000 2.815 255 Y HA -0.491 nan 4.550 nan 0.000 0.346 255 Y C 1.170 176.886 175.900 -0.306 0.000 1.267 255 Y CA 2.455 60.480 58.100 -0.125 0.000 1.604 255 Y CB -1.080 37.336 38.460 -0.073 0.000 1.218 255 Y HN -0.264 8.103 8.280 0.146 0.000 0.527 256 D N 6.843 127.225 120.400 -0.029 0.000 2.347 256 D HA -0.540 nan 4.640 nan 0.000 0.189 256 D C 1.960 178.248 176.300 -0.019 0.000 1.020 256 D CA 3.866 57.859 54.000 -0.012 0.000 0.875 256 D CB -0.123 40.749 40.800 0.121 0.000 0.928 256 D HN 0.402 8.811 8.370 0.064 0.000 0.454 257 S N -0.911 114.828 115.700 0.065 0.000 2.356 257 S HA -0.325 nan 4.470 nan 0.000 0.223 257 S C 1.490 176.117 174.600 0.045 0.000 1.032 257 S CA 2.881 61.125 58.200 0.074 0.000 1.005 257 S CB -0.219 63.026 63.200 0.076 0.000 0.867 257 S HN 0.126 8.513 8.310 0.144 0.010 0.449 258 D N 0.747 121.129 120.400 -0.030 0.000 2.332 258 D HA -0.235 nan 4.640 nan 0.000 0.209 258 D C 1.333 177.717 176.300 0.140 0.000 0.988 258 D CA 2.800 56.800 54.000 -0.001 0.000 0.912 258 D CB 0.120 40.900 40.800 -0.034 0.000 0.899 258 D HN -0.388 7.890 8.370 -0.013 0.085 0.477 259 F N -1.734 118.293 119.950 0.128 0.000 2.913 259 F HA 0.113 nan 4.527 nan 0.000 0.306 259 F C -1.554 174.299 175.800 0.089 0.000 1.205 259 F CA -2.783 55.278 58.000 0.102 0.000 1.359 259 F CB -1.856 37.199 39.000 0.093 0.000 1.260 259 F HN -0.835 7.389 8.300 0.014 0.084 0.545 260 D N -0.172 120.379 120.400 0.253 0.000 2.425 260 D HA 0.132 nan 4.640 nan 0.000 0.240 260 D C 0.303 176.697 176.300 0.155 0.000 1.080 260 D CA -2.189 51.916 54.000 0.176 0.000 0.836 260 D CB 2.256 43.135 40.800 0.131 0.000 1.125 260 D HN -0.841 7.592 8.370 0.235 0.078 0.525 261 E N 7.178 127.462 120.200 0.140 0.000 2.095 261 E HA -0.524 nan 4.350 nan 0.000 0.212 261 E C 1.669 178.337 176.600 0.114 0.000 1.044 261 E CA 3.876 60.354 56.400 0.132 0.000 0.857 261 E CB 0.100 29.864 29.700 0.108 0.000 0.764 261 E HN 0.640 9.082 8.360 0.136 0.000 0.462 262 K N -2.655 117.800 120.400 0.090 0.000 1.991 262 K HA -0.352 nan 4.320 nan 0.000 0.212 262 K C 2.004 178.649 176.600 0.075 0.000 1.049 262 K CA 3.389 59.718 56.287 0.070 0.000 0.932 262 K CB -0.126 32.408 32.500 0.056 0.000 0.717 262 K HN -0.667 7.809 8.250 0.088 -0.173 0.441 263 K N -0.764 119.686 120.400 0.083 0.000 1.987 263 K HA -0.251 nan 4.320 nan 0.000 0.216 263 K C 2.053 178.716 176.600 0.106 0.000 1.051 263 K CA 2.319 58.655 56.287 0.081 0.000 0.942 263 K CB -0.833 31.716 32.500 0.081 0.000 0.722 263 K HN -0.923 7.577 8.250 0.088 -0.197 0.444 264 I N -0.832 119.826 120.570 0.147 0.000 2.147 264 I HA -0.622 nan 4.170 nan 0.000 0.245 264 I C 2.279 178.516 176.117 0.200 0.000 1.059 264 I CA 3.730 65.152 61.300 0.203 0.000 1.320 264 I CB -0.243 37.910 38.000 0.256 0.000 1.021 264 I HN 0.256 8.556 8.210 0.151 0.000 0.415 265 R N -3.347 117.235 120.500 0.136 0.000 2.073 265 R HA -0.387 nan 4.340 nan 0.000 0.234 265 R C 2.545 178.862 176.300 0.028 0.000 1.134 265 R CA 3.379 59.513 56.100 0.056 0.000 0.952 265 R CB -0.410 29.905 30.300 0.026 0.000 0.850 265 R HN -0.587 7.755 8.270 0.129 0.006 0.433 266 E N 0.445 120.668 120.200 0.038 0.000 2.031 266 E HA -0.218 nan 4.350 nan 0.000 0.193 266 E C 2.379 179.001 176.600 0.036 0.000 0.994 266 E CA 2.351 58.765 56.400 0.023 0.000 0.800 266 E CB -0.728 28.987 29.700 0.025 0.000 0.752 266 E HN -0.593 7.798 8.360 0.052 0.000 0.447 267 L N -3.154 118.108 121.223 0.066 0.000 2.351 267 L HA -0.249 nan 4.340 nan 0.000 0.220 267 L C 0.270 177.205 176.870 0.108 0.000 1.127 267 L CA 1.891 56.786 54.840 0.091 0.000 0.786 267 L CB -0.119 42.014 42.059 0.124 0.000 0.914 267 L HN 0.157 8.431 8.230 0.072 0.000 0.443 268 A N -3.203 119.668 122.820 0.085 0.000 2.476 268 A HA 0.106 nan 4.320 nan 0.000 0.263 268 A C 0.563 178.134 177.584 -0.021 0.000 1.342 268 A CA -0.813 51.252 52.037 0.046 0.000 0.926 268 A CB -1.063 17.911 19.000 -0.043 0.000 1.019 268 A HN -0.318 7.712 8.150 0.068 0.160 0.515 269 A N 0.011 122.833 122.820 0.004 0.000 1.935 269 A HA -0.485 nan 4.320 nan 0.000 0.224 269 A C 1.954 179.519 177.584 -0.032 0.000 1.324 269 A CA 3.239 55.269 52.037 -0.012 0.000 0.686 269 A CB -0.861 18.145 19.000 0.010 0.000 0.837 269 A HN -0.109 7.936 8.150 0.030 0.123 0.481 270 K N -3.143 117.247 120.400 -0.017 0.000 2.017 270 K HA -0.379 nan 4.320 nan 0.000 0.229 270 K C 0.615 177.173 176.600 -0.068 0.000 1.004 270 K CA 2.189 58.457 56.287 -0.031 0.000 0.991 270 K CB -0.295 32.190 32.500 -0.025 0.000 0.773 270 K HN 0.315 8.570 8.250 0.012 0.002 0.453 271 V N -1.420 118.418 119.914 -0.127 0.000 2.454 271 V HA 0.311 nan 4.120 nan 0.000 0.267 271 V C -0.076 175.881 176.094 -0.228 0.000 0.993 271 V CA -1.356 60.848 62.300 -0.160 0.000 0.836 271 V CB 0.634 32.356 31.823 -0.167 0.000 1.055 271 V HN -0.667 7.432 8.190 -0.151 0.000 0.452 272 D N 7.306 127.613 120.400 -0.155 0.000 2.191 272 D HA -0.337 nan 4.640 nan 0.000 0.190 272 D C -0.694 175.494 176.300 -0.187 0.000 1.007 272 D CA 4.455 58.368 54.000 -0.144 0.000 0.865 272 D CB -2.283 38.468 40.800 -0.082 0.000 0.929 272 D HN -0.023 8.279 8.370 -0.113 0.000 0.447 273 P HA -0.089 nan 4.420 nan 0.000 0.217 273 P C 1.098 178.114 177.300 -0.473 0.000 1.154 273 P CA 2.243 65.255 63.100 -0.145 0.000 0.841 273 P CB -0.091 31.608 31.700 -0.001 0.000 0.788 274 E N -1.339 118.430 120.200 -0.719 0.000 2.097 274 E HA -0.341 nan 4.350 nan 0.000 0.196 274 E C 2.206 177.853 176.600 -1.588 0.000 1.000 274 E CA 3.525 58.900 56.400 -1.708 0.000 0.804 274 E CB -0.061 29.016 29.700 -1.038 0.000 0.740 274 E HN 0.334 8.355 8.360 -0.447 0.071 0.454 275 R N -2.844 117.168 120.500 -0.814 0.000 2.041 275 R HA 0.008 nan 4.340 nan 0.000 0.221 275 R C 2.055 178.136 176.300 -0.365 0.000 1.196 275 R CA 1.870 57.631 56.100 -0.566 0.000 0.969 275 R CB -0.127 29.945 30.300 -0.381 0.000 0.858 275 R HN 0.292 8.078 8.270 -0.619 0.112 0.444 276 A N 0.395 123.068 122.820 -0.245 0.000 2.558 276 A HA -0.096 nan 4.320 nan 0.000 0.235 276 A C -0.716 176.823 177.584 -0.075 0.000 1.677 276 A CA 1.167 53.131 52.037 -0.121 0.000 1.531 276 A CB -1.671 17.280 19.000 -0.081 0.000 0.841 276 A HN 0.033 7.950 8.150 -0.247 0.085 0.631 277 K N -3.794 116.566 120.400 -0.067 0.000 3.183 277 K HA 0.127 nan 4.320 nan 0.000 0.233 277 K C -1.256 175.511 176.600 0.278 0.000 2.202 277 K CA 0.439 56.801 56.287 0.125 0.000 1.490 277 K CB 1.741 34.398 32.500 0.260 0.000 2.493 277 K HN 0.425 8.528 8.250 -0.121 0.075 0.551 278 W N 0.671 121.942 121.300 -0.048 0.000 2.150 278 W HA 0.180 nan 4.660 nan 0.000 0.341 278 W C 1.299 177.799 176.519 -0.030 0.000 1.276 278 W CA -2.429 54.891 57.345 -0.042 0.000 1.238 278 W CB -0.224 29.203 29.460 -0.054 0.000 1.128 278 W HN -0.496 7.545 8.180 -0.232 0.000 0.581 279 K N 1.509 122.060 120.400 0.251 0.000 2.057 279 K HA -0.215 nan 4.320 nan 0.000 0.206 279 K C -0.230 176.476 176.600 0.177 0.000 1.050 279 K CA 2.002 58.381 56.287 0.153 0.000 0.935 279 K CB -0.047 32.517 32.500 0.108 0.000 0.715 279 K HN 0.356 8.758 8.250 0.254 0.000 0.439 280 R N -2.527 118.109 120.500 0.227 0.000 2.443 280 R HA 0.389 nan 4.340 nan 0.000 0.287 280 R C -1.950 174.492 176.300 0.237 0.000 1.425 280 R CA -2.539 53.694 56.100 0.221 0.000 1.300 280 R CB -0.389 30.039 30.300 0.213 0.000 1.129 280 R HN -0.610 7.824 8.270 0.274 0.000 0.577 281 P HA -0.107 nan 4.420 nan 0.000 0.225 281 P C -1.082 175.968 177.300 -0.417 0.000 1.148 281 P CA 1.212 64.066 63.100 -0.410 0.000 0.779 281 P CB 0.468 31.646 31.700 -0.871 0.000 0.780 282 F N -1.244 118.770 119.950 0.108 0.000 2.427 282 F HA 0.166 nan 4.527 nan 0.000 0.346 282 F C 0.021 175.897 175.800 0.127 0.000 1.120 282 F CA -1.383 56.671 58.000 0.090 0.000 1.033 282 F CB 0.744 39.777 39.000 0.056 0.000 1.126 282 F HN -0.655 7.621 8.300 0.062 0.061 0.462 283 R N 4.326 125.009 120.500 0.303 0.000 2.090 283 R HA -0.002 nan 4.340 nan 0.000 0.228 283 R C -1.258 175.177 176.300 0.225 0.000 1.110 283 R CA 1.256 57.498 56.100 0.236 0.000 0.973 283 R CB 0.720 31.129 30.300 0.182 0.000 0.869 283 R HN 0.134 8.581 8.270 0.295 0.000 0.440 284 L N -6.204 115.138 121.223 0.199 0.000 2.518 284 L HA 0.411 nan 4.340 nan 0.000 0.257 284 L C -3.030 173.860 176.870 0.035 0.000 0.980 284 L CA -1.106 53.805 54.840 0.118 0.000 0.837 284 L CB 4.093 46.199 42.059 0.079 0.000 1.410 284 L HN -0.902 7.458 8.230 0.227 0.006 0.410 285 A N 2.101 124.875 122.820 -0.077 0.000 2.343 285 A HA 0.751 nan 4.320 nan 0.000 0.308 285 A C -2.441 174.996 177.584 -0.245 0.000 1.092 285 A CA -1.382 50.530 52.037 -0.209 0.000 0.751 285 A CB 2.609 21.450 19.000 -0.265 0.000 1.203 285 A HN 0.004 8.114 8.150 -0.066 0.000 0.452 286 V N 5.012 124.754 119.914 -0.286 0.000 2.357 286 V HA 0.733 nan 4.120 nan 0.000 0.284 286 V C -1.643 174.222 176.094 -0.381 0.000 1.018 286 V CA -0.870 61.227 62.300 -0.338 0.000 0.841 286 V CB 0.985 32.609 31.823 -0.332 0.000 0.991 286 V HN 0.415 8.430 8.190 -0.292 0.000 0.437 287 I N 5.793 126.146 120.570 -0.361 0.000 2.509 287 I HA 0.407 nan 4.170 nan 0.000 0.293 287 I C -1.860 174.120 176.117 -0.228 0.000 1.020 287 I CA -1.504 59.624 61.300 -0.287 0.000 1.088 287 I CB 3.860 41.695 38.000 -0.275 0.000 1.267 287 I HN 0.943 8.903 8.210 -0.416 0.000 0.430 288 Q N 6.555 126.218 119.800 -0.228 0.000 2.402 288 Q HA -0.064 nan 4.340 nan 0.000 0.238 288 Q C -0.522 175.291 176.000 -0.311 0.000 1.126 288 Q CA 0.040 55.746 55.803 -0.162 0.000 0.904 288 Q CB -0.287 28.423 28.738 -0.047 0.000 1.357 288 Q HN -0.053 8.367 8.270 -0.213 -0.278 0.491 289 L N 6.144 127.279 121.223 -0.147 0.000 2.013 289 L HA -0.214 nan 4.340 nan 0.000 0.212 289 L C -1.092 175.785 176.870 0.013 0.000 1.073 289 L CA 1.926 56.682 54.840 -0.140 0.000 0.753 289 L CB 0.903 42.934 42.059 -0.046 0.000 0.890 289 L HN -0.272 7.941 8.230 -0.028 0.000 0.432 290 G N -6.986 101.867 108.800 0.088 0.000 2.707 290 G HA2 0.333 nan 3.960 nan 0.000 0.299 290 G HA3 0.333 nan 3.960 nan 0.000 0.299 290 G C -2.624 172.416 174.900 0.234 0.000 1.442 290 G CA -0.595 44.626 45.100 0.202 0.000 1.009 290 G HN -0.744 7.582 8.290 0.060 0.000 0.515 291 T N 1.830 116.507 114.554 0.205 0.000 2.918 291 T HA 0.475 nan 4.350 nan 0.000 0.283 291 T C 0.777 175.453 174.700 -0.040 0.000 1.001 291 T CA -2.244 59.938 62.100 0.136 0.000 1.041 291 T CB 2.333 71.253 68.868 0.086 0.000 1.028 291 T HN -0.113 8.260 8.240 0.223 0.000 0.511 292 Y N 2.145 122.166 120.300 -0.465 0.000 2.219 292 Y HA -0.368 nan 4.550 nan 0.000 0.283 292 Y C 0.075 175.632 175.900 -0.572 0.000 1.191 292 Y CA 1.828 59.348 58.100 -0.966 0.000 1.199 292 Y CB -0.201 37.890 38.460 -0.615 0.000 0.972 292 Y HN 0.786 9.047 8.280 -0.032 0.000 0.527 293 D N -3.451 116.850 120.400 -0.165 0.000 2.460 293 D HA 0.110 nan 4.640 nan 0.000 0.229 293 D C 0.512 176.715 176.300 -0.162 0.000 1.170 293 D CA -0.471 53.367 54.000 -0.270 0.000 0.827 293 D CB 0.343 40.947 40.800 -0.326 0.000 0.973 293 D HN -0.808 7.463 8.370 -0.090 0.046 0.496 294 G N -1.018 107.778 108.800 -0.005 0.000 2.159 294 G HA2 -0.446 nan 3.960 nan 0.000 0.256 294 G HA3 -0.446 nan 3.960 nan 0.000 0.256 294 G C -0.774 174.306 174.900 0.301 0.000 0.977 294 G CA 0.704 45.900 45.100 0.159 0.000 0.652 294 G HN 0.004 8.202 8.290 -0.027 0.075 0.531 295 T N 4.340 119.034 114.554 0.234 0.000 2.728 295 T HA 0.396 nan 4.350 nan 0.000 0.296 295 T C -1.263 173.613 174.700 0.293 0.000 0.940 295 T CA 1.429 63.683 62.100 0.257 0.000 1.013 295 T CB -0.026 68.757 68.868 -0.142 0.000 0.912 295 T HN -0.794 7.521 8.240 0.125 0.000 0.484 296 I N 6.434 127.239 120.570 0.391 0.000 2.377 296 I HA 0.574 nan 4.170 nan 0.000 0.293 296 I C -0.614 175.835 176.117 0.554 0.000 0.987 296 I CA -1.090 60.476 61.300 0.443 0.000 1.185 296 I CB 1.929 40.143 38.000 0.357 0.000 1.341 296 I HN 0.413 8.884 8.210 0.434 0.000 0.455 297 Y N 5.918 126.380 120.300 0.271 0.000 2.298 297 Y HA 0.023 nan 4.550 nan 0.000 0.329 297 Y C -0.031 175.930 175.900 0.101 0.000 1.293 297 Y CA -0.721 57.499 58.100 0.200 0.000 1.388 297 Y CB 0.812 39.395 38.460 0.204 0.000 1.309 297 Y HN 0.631 9.371 8.280 0.767 0.000 0.544 298 N N 1.948 120.731 118.700 0.139 0.000 2.767 298 N HA 0.018 nan 4.740 nan 0.000 0.238 298 N C -0.039 175.495 175.510 0.040 0.000 1.083 298 N CA -2.278 50.830 53.050 0.097 0.000 0.964 298 N CB -0.448 38.051 38.487 0.019 0.000 1.252 298 N HN -0.104 8.253 8.380 -0.037 0.000 0.512 299 A N 5.176 127.986 122.820 -0.016 0.000 2.009 299 A HA -0.409 nan 4.320 nan 0.000 0.222 299 A C 1.500 179.134 177.584 0.083 0.000 1.175 299 A CA 2.849 54.828 52.037 -0.096 0.000 0.651 299 A CB -0.515 18.294 19.000 -0.319 0.000 0.815 299 A HN 0.299 8.418 8.150 -0.052 0.000 0.459 300 H N -2.725 116.292 119.070 -0.089 0.000 2.357 300 H HA -0.335 nan 4.556 nan 0.000 0.301 300 H C 2.832 178.124 175.328 -0.060 0.000 1.082 300 H CA 2.556 58.562 56.048 -0.071 0.000 1.342 300 H CB -0.017 29.710 29.762 -0.058 0.000 1.389 300 H HN -0.392 8.061 8.280 0.107 -0.109 0.511 301 E N -0.979 119.258 120.200 0.061 0.000 2.274 301 E HA -0.174 nan 4.350 nan 0.000 0.194 301 E C 2.112 178.649 176.600 -0.106 0.000 0.996 301 E CA 2.767 59.153 56.400 -0.023 0.000 0.840 301 E CB -0.177 29.492 29.700 -0.051 0.000 0.772 301 E HN -0.449 8.109 8.360 0.060 -0.162 0.491 302 V N 0.555 120.413 119.914 -0.093 0.000 2.283 302 V HA -0.300 nan 4.120 nan 0.000 0.243 302 V C 1.609 177.641 176.094 -0.103 0.000 1.039 302 V CA 4.636 66.826 62.300 -0.185 0.000 1.016 302 V CB -0.578 31.261 31.823 0.027 0.000 0.650 302 V HN -0.617 7.538 8.190 -0.012 0.028 0.449 303 V N -0.831 119.092 119.914 0.015 0.000 2.392 303 V HA -0.538 nan 4.120 nan 0.000 0.249 303 V C 1.939 177.984 176.094 -0.083 0.000 1.059 303 V CA 4.472 66.767 62.300 -0.008 0.000 1.051 303 V CB -1.287 30.546 31.823 0.016 0.000 0.658 303 V HN -0.398 7.833 8.190 0.068 0.000 0.455 304 K N -1.083 119.275 120.400 -0.070 0.000 2.057 304 K HA -0.255 nan 4.320 nan 0.000 0.206 304 K C 2.071 178.650 176.600 -0.035 0.000 1.050 304 K CA 2.939 59.194 56.287 -0.055 0.000 0.935 304 K CB -0.207 32.276 32.500 -0.028 0.000 0.715 304 K HN -0.674 7.541 8.250 -0.051 0.004 0.439 305 R N -4.402 116.053 120.500 -0.075 0.000 2.240 305 R HA -0.098 nan 4.340 nan 0.000 0.203 305 R C 0.958 177.235 176.300 -0.039 0.000 1.011 305 R CA 2.125 58.190 56.100 -0.058 0.000 1.007 305 R CB 1.074 31.295 30.300 -0.132 0.000 0.911 305 R HN -0.420 7.689 8.270 -0.118 0.090 0.468 306 I N -10.501 110.024 120.570 -0.074 0.000 4.620 306 I HA 0.406 nan 4.170 nan 0.000 0.347 306 I C 0.915 177.021 176.117 -0.018 0.000 1.302 306 I CA -0.455 60.831 61.300 -0.024 0.000 1.277 306 I CB 0.961 38.922 38.000 -0.066 0.000 1.566 306 I HN -0.182 7.962 8.210 -0.109 0.000 0.547 307 G N 3.406 112.158 108.800 -0.079 0.000 2.440 307 G HA2 -0.303 nan 3.960 nan 0.000 0.218 307 G HA3 -0.303 nan 3.960 nan 0.000 0.218 307 G C 1.286 176.120 174.900 -0.111 0.000 1.154 307 G CA 2.443 47.466 45.100 -0.129 0.000 0.767 307 G HN 0.256 8.407 8.290 -0.095 0.082 0.552 308 H N 1.717 120.820 119.070 0.054 0.000 2.489 308 H HA -0.149 nan 4.556 nan 0.000 0.293 308 H C 1.387 176.781 175.328 0.111 0.000 1.066 308 H CA 2.297 58.388 56.048 0.070 0.000 1.305 308 H CB -0.421 29.376 29.762 0.058 0.000 1.386 308 H HN 0.058 8.294 8.280 -0.074 0.000 0.551 309 L N -3.204 118.165 121.223 0.244 0.000 2.591 309 L HA -0.012 nan 4.340 nan 0.000 0.228 309 L C -1.335 175.770 176.870 0.392 0.000 1.133 309 L CA 0.449 55.481 54.840 0.319 0.000 0.880 309 L CB -0.010 42.291 42.059 0.405 0.000 1.033 309 L HN -0.647 7.660 8.230 0.195 0.040 0.450 310 C N -3.158 116.289 119.300 0.244 0.000 2.888 310 C HA 0.274 nan 4.460 nan 0.000 0.308 310 C C -0.644 174.431 174.990 0.142 0.000 1.213 310 C CA -1.046 58.110 59.018 0.230 0.000 1.461 310 C CB 3.463 31.284 27.740 0.134 0.000 1.934 310 C HN -0.525 7.745 8.230 0.166 0.060 0.474 311 D N 1.314 121.811 120.400 0.162 0.000 2.123 311 D HA -0.078 nan 4.640 nan 0.000 0.200 311 D C -0.461 175.811 176.300 -0.046 0.000 0.976 311 D CA 2.787 56.839 54.000 0.087 0.000 0.831 311 D CB 0.918 41.825 40.800 0.179 0.000 0.974 311 D HN 0.281 8.781 8.370 0.217 0.000 0.469 312 Y N -4.909 115.417 120.300 0.044 0.000 2.634 312 Y HA 0.576 nan 4.550 nan 0.000 0.340 312 Y C -1.507 174.368 175.900 -0.041 0.000 1.058 312 Y CA -0.752 57.356 58.100 0.013 0.000 1.081 312 Y CB 5.130 43.597 38.460 0.011 0.000 1.295 312 Y HN -0.750 7.683 8.280 0.254 0.000 0.487 313 I N -0.763 119.858 120.570 0.086 0.000 2.499 313 I HA 0.305 nan 4.170 nan 0.000 0.288 313 I C -2.379 173.602 176.117 -0.227 0.000 1.048 313 I CA -0.951 60.248 61.300 -0.169 0.000 1.062 313 I CB 3.740 41.523 38.000 -0.360 0.000 1.238 313 I HN 0.331 8.640 8.210 0.166 0.000 0.426 314 E N 6.310 126.342 120.200 -0.279 0.000 2.134 314 E HA 0.423 nan 4.350 nan 0.000 0.278 314 E C -1.442 174.946 176.600 -0.354 0.000 0.959 314 E CA -1.929 54.348 56.400 -0.206 0.000 0.783 314 E CB 2.652 32.282 29.700 -0.116 0.000 1.095 314 E HN 0.486 8.678 8.360 -0.280 0.000 0.399 315 F N 6.826 126.739 119.950 -0.061 0.000 2.350 315 F HA 0.248 nan 4.527 nan 0.000 0.365 315 F C -1.432 174.305 175.800 -0.105 0.000 1.122 315 F CA -1.257 56.682 58.000 -0.101 0.000 1.139 315 F CB 0.661 39.609 39.000 -0.086 0.000 1.220 315 F HN 0.900 9.253 8.300 0.088 0.000 0.499 316 D N 5.803 126.208 120.400 0.008 0.000 2.402 316 D HA 0.150 nan 4.640 nan 0.000 0.235 316 D C -0.267 176.010 176.300 -0.040 0.000 1.226 316 D CA -1.298 52.672 54.000 -0.050 0.000 0.918 316 D CB -0.088 40.658 40.800 -0.089 0.000 1.043 316 D HN -0.001 8.346 8.370 -0.040 0.000 0.506 317 S N 5.955 121.622 115.700 -0.055 0.000 2.484 317 S HA 0.290 nan 4.470 nan 0.000 0.242 317 S C 0.591 175.091 174.600 -0.167 0.000 1.158 317 S CA -1.712 56.440 58.200 -0.080 0.000 1.162 317 S CB -0.738 62.414 63.200 -0.079 0.000 0.850 317 S HN 0.295 8.573 8.310 -0.053 0.000 0.477 318 A N 2.477 125.145 122.820 -0.253 0.000 1.972 318 A HA -0.138 nan 4.320 nan 0.000 0.219 318 A C 0.547 177.813 177.584 -0.529 0.000 1.169 318 A CA 3.045 54.809 52.037 -0.455 0.000 0.635 318 A CB -0.534 18.088 19.000 -0.630 0.000 0.810 318 A HN -0.601 7.530 8.150 -0.224 -0.115 0.446 319 W N -4.981 116.225 121.300 -0.157 0.000 3.180 319 W HA -0.159 nan 4.660 nan 0.000 0.254 319 W C -0.718 175.715 176.519 -0.144 0.000 1.318 319 W CA 0.650 57.926 57.345 -0.114 0.000 1.608 319 W CB 0.026 29.453 29.460 -0.055 0.000 1.124 319 W HN -0.205 7.917 8.180 -0.085 0.007 0.694 320 V N -7.282 112.551 119.914 -0.136 0.000 4.087 320 V HA 0.619 nan 4.120 nan 0.000 0.307 320 V C -0.498 175.257 176.094 -0.565 0.000 1.472 320 V CA -2.574 59.401 62.300 -0.540 0.000 0.924 320 V CB 1.189 32.764 31.823 -0.412 0.000 1.193 320 V HN -0.518 7.373 8.190 -0.164 0.200 0.472 321 G N -3.156 105.297 108.800 -0.577 0.000 2.617 321 G HA2 -0.228 nan 3.960 nan 0.000 0.197 321 G HA3 -0.228 nan 3.960 nan 0.000 0.197 321 G C 0.313 175.100 174.900 -0.190 0.000 1.017 321 G CA 0.724 45.671 45.100 -0.255 0.000 0.713 321 G HN -0.065 8.163 8.290 -0.617 -0.308 0.481 322 Y N -0.396 119.835 120.300 -0.115 0.000 2.544 322 Y HA 0.101 nan 4.550 nan 0.000 0.286 322 Y C 0.460 176.095 175.900 -0.442 0.000 1.141 322 Y CA -0.753 57.144 58.100 -0.340 0.000 1.299 322 Y CB -1.267 36.555 38.460 -1.064 0.000 1.030 322 Y HN -0.108 7.374 8.280 -1.212 0.072 0.543 323 E N 0.955 121.030 120.200 -0.208 0.000 2.333 323 E HA -0.353 nan 4.350 nan 0.000 0.198 323 E C 0.712 177.132 176.600 -0.301 0.000 1.007 323 E CA 2.459 58.751 56.400 -0.180 0.000 0.845 323 E CB -2.092 27.505 29.700 -0.172 0.000 0.766 323 E HN 0.420 8.496 8.360 -0.392 0.049 0.507 324 Q N -1.679 117.817 119.800 -0.505 0.000 2.432 324 Q HA -0.126 nan 4.340 nan 0.000 0.205 324 Q C 0.684 176.258 176.000 -0.710 0.000 0.945 324 Q CA 1.528 56.929 55.803 -0.669 0.000 0.924 324 Q CB 0.544 28.720 28.738 -0.938 0.000 1.016 324 Q HN -0.566 7.310 8.270 -0.563 0.056 0.503 325 F N -4.465 115.380 119.950 -0.175 0.000 2.682 325 F HA 0.131 nan 4.527 nan 0.000 0.308 325 F C -1.319 174.384 175.800 -0.163 0.000 1.093 325 F CA -0.535 57.363 58.000 -0.171 0.000 1.244 325 F CB 1.624 40.498 39.000 -0.210 0.000 1.052 325 F HN -0.351 7.472 8.300 -0.466 0.197 0.573 326 I N -1.353 119.177 120.570 -0.066 0.000 2.382 326 I HA 0.327 nan 4.170 nan 0.000 0.286 326 I C -0.952 175.115 176.117 -0.083 0.000 1.002 326 I CA -3.392 57.867 61.300 -0.069 0.000 1.135 326 I CB 1.727 39.639 38.000 -0.146 0.000 1.288 326 I HN -1.099 6.921 8.210 -0.143 0.104 0.448 327 P HA -0.273 nan 4.420 nan 0.000 0.214 327 P C 0.954 178.201 177.300 -0.088 0.000 1.172 327 P CA 3.220 66.290 63.100 -0.050 0.000 0.925 327 P CB 0.017 31.709 31.700 -0.013 0.000 0.793 328 M N -6.851 112.699 119.600 -0.084 0.000 2.426 328 M HA -0.184 nan 4.480 nan 0.000 0.261 328 M C 1.032 177.204 176.300 -0.214 0.000 1.068 328 M CA 2.930 58.163 55.300 -0.111 0.000 1.066 328 M CB -0.689 31.872 32.600 -0.064 0.000 1.399 328 M HN -0.031 8.225 8.290 -0.056 0.000 0.449 329 M N -3.065 116.401 119.600 -0.224 0.000 2.428 329 M HA 0.049 nan 4.480 nan 0.000 0.239 329 M C 1.246 177.372 176.300 -0.290 0.000 1.121 329 M CA 0.775 55.901 55.300 -0.289 0.000 1.019 329 M CB -0.056 32.413 32.600 -0.218 0.000 1.485 329 M HN -0.524 7.475 8.290 -0.178 0.184 0.484 330 R N -0.081 120.271 120.500 -0.247 0.000 2.154 330 R HA -0.359 nan 4.340 nan 0.000 0.248 330 R C 2.361 178.448 176.300 -0.354 0.000 1.155 330 R CA 2.515 58.476 56.100 -0.231 0.000 0.979 330 R CB -1.240 28.970 30.300 -0.149 0.000 0.869 330 R HN -0.143 7.949 8.270 -0.209 0.053 0.452 331 N N 0.110 118.522 118.700 -0.480 0.000 2.104 331 N HA -0.213 nan 4.740 nan 0.000 0.190 331 N C 1.703 176.843 175.510 -0.617 0.000 1.024 331 N CA 2.777 55.347 53.050 -0.799 0.000 0.853 331 N CB -0.687 37.540 38.487 -0.433 0.000 1.008 331 N HN 0.191 8.306 8.380 -0.401 0.024 0.424 332 S N -2.328 113.178 115.700 -0.322 0.000 2.423 332 S HA -0.215 nan 4.470 nan 0.000 0.231 332 S C -0.028 174.446 174.600 -0.210 0.000 1.014 332 S CA 1.592 59.693 58.200 -0.166 0.000 0.965 332 S CB 0.135 63.287 63.200 -0.080 0.000 0.785 332 S HN -0.550 7.552 8.310 -0.347 0.000 0.495 333 S N 2.042 117.612 115.700 -0.217 0.000 2.488 333 S HA 0.190 nan 4.470 nan 0.000 0.278 333 S C -1.044 173.490 174.600 -0.110 0.000 1.259 333 S CA -1.941 56.145 58.200 -0.188 0.000 1.061 333 S CB 1.256 64.340 63.200 -0.193 0.000 0.910 333 S HN -0.737 7.272 8.310 -0.249 0.151 0.491 334 P HA 0.106 nan 4.420 nan 0.000 0.230 334 P C 0.091 177.305 177.300 -0.143 0.000 1.168 334 P CA 1.253 64.191 63.100 -0.269 0.000 0.793 334 P CB 0.556 31.904 31.700 -0.587 0.000 0.851 335 L N -2.084 119.062 121.223 -0.128 0.000 2.558 335 L HA -0.066 nan 4.340 nan 0.000 0.225 335 L C 0.668 177.475 176.870 -0.106 0.000 1.128 335 L CA 1.150 55.930 54.840 -0.100 0.000 0.868 335 L CB -0.027 41.963 42.059 -0.115 0.000 1.006 335 L HN -0.763 7.373 8.230 -0.156 0.000 0.454 336 L N -1.859 119.304 121.223 -0.099 0.000 3.034 336 L HA 0.067 nan 4.340 nan 0.000 0.245 336 L C -1.204 175.593 176.870 -0.122 0.000 1.295 336 L CA -0.736 54.056 54.840 -0.081 0.000 1.068 336 L CB -1.207 40.820 42.059 -0.054 0.000 1.426 336 L HN -0.325 7.693 8.230 -0.086 0.161 0.531 337 I N 1.665 122.114 120.570 -0.202 0.000 2.479 337 I HA -0.009 nan 4.170 nan 0.000 0.279 337 I C -1.597 174.387 176.117 -0.222 0.000 1.102 337 I CA -0.959 60.137 61.300 -0.340 0.000 1.196 337 I CB -0.036 37.743 38.000 -0.369 0.000 1.427 337 I HN -0.769 7.253 8.210 -0.157 0.094 0.503 338 D N 9.359 129.652 120.400 -0.178 0.000 2.479 338 D HA 0.085 nan 4.640 nan 0.000 0.218 338 D C -0.866 175.357 176.300 -0.127 0.000 1.131 338 D CA 0.707 54.630 54.000 -0.129 0.000 0.916 338 D CB -0.423 40.323 40.800 -0.090 0.000 1.022 338 D HN 0.266 8.529 8.370 -0.179 0.000 0.515 339 D N -0.220 120.092 120.400 -0.145 0.000 4.399 339 D HA -0.143 nan 4.640 nan 0.000 0.119 339 D C -1.020 175.182 176.300 -0.164 0.000 0.488 339 D CA 0.155 54.079 54.000 -0.128 0.000 0.601 339 D CB -1.088 39.642 40.800 -0.117 0.000 1.656 339 D HN 0.001 8.269 8.370 -0.170 0.000 0.165 340 L N 0.811 121.895 121.223 -0.232 0.000 2.385 340 L HA 0.126 nan 4.340 nan 0.000 0.281 340 L C 0.452 177.168 176.870 -0.257 0.000 1.106 340 L CA -0.223 54.389 54.840 -0.380 0.000 0.856 340 L CB -0.145 41.444 42.059 -0.784 0.000 1.186 340 L HN -0.108 7.995 8.230 -0.212 0.000 0.453 341 G N 3.371 112.082 108.800 -0.149 0.000 2.562 341 G HA2 0.269 nan 3.960 nan 0.000 0.275 341 G HA3 0.269 nan 3.960 nan 0.000 0.275 341 G C -1.224 173.721 174.900 0.074 0.000 1.196 341 G CA -1.885 43.200 45.100 -0.025 0.000 0.908 341 G HN -0.376 7.998 8.290 -0.157 -0.178 0.524 342 P HA -0.215 nan 4.420 nan 0.000 0.221 342 P C 0.768 178.130 177.300 0.102 0.000 1.145 342 P CA 2.048 65.200 63.100 0.087 0.000 0.795 342 P CB 0.447 32.167 31.700 0.033 0.000 0.775 343 E N -5.469 114.804 120.200 0.121 0.000 2.285 343 E HA -0.119 nan 4.350 nan 0.000 0.194 343 E C -0.831 175.876 176.600 0.177 0.000 0.997 343 E CA 0.463 56.983 56.400 0.200 0.000 0.845 343 E CB -0.042 29.832 29.700 0.290 0.000 0.782 343 E HN 0.417 8.788 8.360 0.101 0.050 0.491 344 D N -2.187 118.236 120.400 0.039 0.000 2.277 344 D HA 0.352 nan 4.640 nan 0.000 0.250 344 D C -1.372 174.971 176.300 0.071 0.000 1.032 344 D CA -2.563 51.358 54.000 -0.131 0.000 0.947 344 D CB -0.104 40.552 40.800 -0.240 0.000 1.159 344 D HN -0.466 7.832 8.370 0.073 0.116 0.460 345 P HA -0.144 nan 4.420 nan 0.000 0.268 345 P C -0.089 177.303 177.300 0.154 0.000 1.205 345 P CA -0.277 62.839 63.100 0.027 0.000 0.771 345 P CB 0.295 31.982 31.700 -0.022 0.000 0.858 346 G N 1.394 110.019 108.800 -0.291 0.000 2.340 346 G HA2 0.042 nan 3.960 nan 0.000 0.245 346 G HA3 0.042 nan 3.960 nan 0.000 0.245 346 G C -1.815 173.129 174.900 0.074 0.000 1.294 346 G CA -0.084 44.804 45.100 -0.352 0.000 0.896 346 G HN -0.084 7.871 8.290 -0.559 0.000 0.522 347 I N 5.448 126.165 120.570 0.245 0.000 2.392 347 I HA 0.668 nan 4.170 nan 0.000 0.295 347 I C -1.429 174.838 176.117 0.250 0.000 0.985 347 I CA -0.050 61.402 61.300 0.253 0.000 1.221 347 I CB 2.450 40.599 38.000 0.248 0.000 1.366 347 I HN 0.375 8.772 8.210 0.311 0.000 0.467 348 I N 5.474 126.185 120.570 0.234 0.000 2.582 348 I HA 0.595 nan 4.170 nan 0.000 0.292 348 I C -1.858 174.372 176.117 0.188 0.000 1.066 348 I CA -1.105 60.293 61.300 0.163 0.000 1.053 348 I CB 3.421 41.473 38.000 0.087 0.000 1.241 348 I HN 0.232 8.578 8.210 0.226 0.000 0.421 349 V N 6.432 126.441 119.914 0.158 0.000 2.483 349 V HA 0.620 nan 4.120 nan 0.000 0.297 349 V C -1.557 174.561 176.094 0.041 0.000 1.027 349 V CA -1.037 61.348 62.300 0.142 0.000 0.855 349 V CB 2.258 34.173 31.823 0.153 0.000 0.995 349 V HN 0.702 8.979 8.190 0.145 0.000 0.424 350 V N 8.321 128.235 119.914 -0.001 0.000 2.370 350 V HA 0.573 nan 4.120 nan 0.000 0.283 350 V C -1.816 174.204 176.094 -0.122 0.000 1.023 350 V CA -1.420 60.838 62.300 -0.070 0.000 0.857 350 V CB 0.547 32.329 31.823 -0.068 0.000 0.985 350 V HN 0.888 9.094 8.190 0.026 0.000 0.443 351 Q N 6.115 125.812 119.800 -0.172 0.000 2.305 351 Q HA 0.487 nan 4.340 nan 0.000 0.271 351 Q C -1.128 174.742 176.000 -0.217 0.000 1.046 351 Q CA -2.446 53.236 55.803 -0.201 0.000 0.798 351 Q CB 3.706 32.335 28.738 -0.182 0.000 1.286 351 Q HN 0.554 8.707 8.270 -0.194 0.000 0.435 352 S N 3.951 119.478 115.700 -0.290 0.000 2.429 352 S HA 0.030 nan 4.470 nan 0.000 0.292 352 S C 0.328 174.747 174.600 -0.301 0.000 1.183 352 S CA 0.551 58.550 58.200 -0.334 0.000 1.088 352 S CB -0.319 62.492 63.200 -0.649 0.000 1.018 352 S HN 0.635 8.736 8.310 -0.347 0.000 0.511 353 V N 4.883 124.717 119.914 -0.134 0.000 2.913 353 V HA -0.280 nan 4.120 nan 0.000 0.260 353 V C 1.306 177.382 176.094 -0.030 0.000 1.098 353 V CA 2.682 64.938 62.300 -0.073 0.000 1.121 353 V CB -0.901 30.880 31.823 -0.070 0.000 0.714 353 V HN 0.284 8.340 8.190 -0.075 0.089 0.487 354 H N -2.770 116.265 119.070 -0.058 0.000 2.448 354 H HA -0.057 nan 4.556 nan 0.000 0.292 354 H C 1.404 176.725 175.328 -0.013 0.000 1.035 354 H CA 2.329 58.364 56.048 -0.022 0.000 1.349 354 H CB -0.540 29.221 29.762 -0.003 0.000 1.425 354 H HN -0.501 7.751 8.280 0.027 0.044 0.539 355 K N 0.510 120.514 120.400 -0.660 0.000 1.971 355 K HA -0.259 nan 4.320 nan 0.000 0.221 355 K C 0.955 177.540 176.600 -0.026 0.000 1.050 355 K CA 2.629 58.672 56.287 -0.408 0.000 0.967 355 K CB 0.179 32.230 32.500 -0.748 0.000 0.733 355 K HN -0.703 6.899 8.250 -1.080 0.000 0.445 356 Q N -4.513 115.320 119.800 0.055 0.000 2.141 356 Q HA 0.186 nan 4.340 nan 0.000 0.248 356 Q C -0.830 175.419 176.000 0.415 0.000 0.834 356 Q CA -0.325 55.664 55.803 0.311 0.000 1.096 356 Q CB 0.924 29.988 28.738 0.543 0.000 1.189 356 Q HN -0.031 8.202 8.270 -0.062 0.000 0.471 357 Q N -1.439 118.510 119.800 0.247 0.000 3.146 357 Q HA 0.397 nan 4.340 nan 0.000 0.318 357 Q C -1.562 174.513 176.000 0.124 0.000 0.992 357 Q CA -1.861 54.111 55.803 0.281 0.000 0.809 357 Q CB 4.369 33.256 28.738 0.249 0.000 1.490 357 Q HN -0.682 7.662 8.270 0.124 0.000 0.493 358 A N 0.615 123.479 122.820 0.073 0.000 2.506 358 A HA 0.209 nan 4.320 nan 0.000 0.320 358 A C -1.609 175.925 177.584 -0.083 0.000 1.424 358 A CA -0.487 51.531 52.037 -0.032 0.000 1.044 358 A CB -0.454 18.503 19.000 -0.073 0.000 1.140 358 A HN 0.092 8.605 8.150 0.114 -0.295 0.538 359 G N 0.819 109.573 108.800 -0.077 0.000 2.673 359 G HA2 0.141 nan 3.960 nan 0.000 0.292 359 G HA3 0.141 nan 3.960 nan 0.000 0.292 359 G C -1.865 173.036 174.900 0.002 0.000 1.450 359 G CA -0.253 44.793 45.100 -0.090 0.000 0.837 359 G HN -0.839 7.431 8.290 -0.032 0.000 0.505 360 F N -0.424 119.526 119.950 0.001 0.000 2.459 360 F HA 0.002 nan 4.527 nan 0.000 0.346 360 F C 0.530 176.311 175.800 -0.031 0.000 1.128 360 F CA -1.053 56.947 58.000 -0.000 0.000 1.268 360 F CB 0.866 39.864 39.000 -0.003 0.000 1.161 360 F HN 0.115 8.434 8.300 0.031 0.000 0.583 361 S N 4.040 119.823 115.700 0.139 0.000 2.561 361 S HA -0.275 nan 4.470 nan 0.000 0.294 361 S C -0.268 174.157 174.600 -0.291 0.000 1.294 361 S CA 2.438 60.486 58.200 -0.253 0.000 1.055 361 S CB -0.004 63.102 63.200 -0.155 0.000 0.819 361 S HN 0.041 8.494 8.310 0.238 0.000 0.503 362 Q N -4.541 114.896 119.800 -0.605 0.000 2.393 362 Q HA -0.369 nan 4.340 nan 0.000 0.211 362 Q C -1.156 174.811 176.000 -0.055 0.000 0.653 362 Q CA 1.539 57.197 55.803 -0.242 0.000 1.331 362 Q CB -1.612 27.065 28.738 -0.102 0.000 1.349 362 Q HN 0.493 7.937 8.270 -1.377 0.000 0.824 363 T N -3.463 111.104 114.554 0.022 0.000 2.767 363 T HA 0.679 nan 4.350 nan 0.000 0.284 363 T C -1.026 173.713 174.700 0.065 0.000 0.973 363 T CA -1.741 60.387 62.100 0.047 0.000 0.996 363 T CB 1.158 70.037 68.868 0.018 0.000 0.927 363 T HN -0.496 7.677 8.240 -0.009 0.062 0.456 364 S N 4.775 120.466 115.700 -0.015 0.000 2.638 364 S HA 0.740 nan 4.470 nan 0.000 0.274 364 S C -1.953 172.596 174.600 -0.084 0.000 1.157 364 S CA -1.141 57.025 58.200 -0.057 0.000 0.826 364 S CB 3.415 66.588 63.200 -0.044 0.000 1.139 364 S HN 1.027 9.220 8.310 -0.019 0.106 0.474 365 Q N -1.392 118.323 119.800 -0.143 0.000 2.433 365 Q HA 0.874 nan 4.340 nan 0.000 0.279 365 Q C -1.449 174.425 176.000 -0.211 0.000 1.105 365 Q CA -1.021 54.676 55.803 -0.176 0.000 0.815 365 Q CB 4.966 33.432 28.738 -0.453 0.000 1.403 365 Q HN 0.319 8.482 8.270 -0.179 0.000 0.435 366 I N 0.858 121.349 120.570 -0.132 0.000 2.439 366 I HA 0.374 nan 4.170 nan 0.000 0.283 366 I C -1.633 174.433 176.117 -0.085 0.000 1.023 366 I CA -0.753 60.526 61.300 -0.034 0.000 1.100 366 I CB 1.814 39.943 38.000 0.215 0.000 1.238 366 I HN 0.204 8.395 8.210 -0.031 0.000 0.445 367 H N 8.389 127.482 119.070 0.038 0.000 2.552 367 H HA 0.520 nan 4.556 nan 0.000 0.311 367 H C -1.663 173.672 175.328 0.012 0.000 1.071 367 H CA -1.230 54.826 56.048 0.013 0.000 1.307 367 H CB 1.061 30.801 29.762 -0.038 0.000 1.416 367 H HN 1.090 9.199 8.280 -0.102 0.111 0.464 368 K N 4.977 125.452 120.400 0.124 0.000 2.281 368 K HA 0.347 nan 4.320 nan 0.000 0.272 368 K C -1.966 174.683 176.600 0.081 0.000 1.048 368 K CA -1.210 55.087 56.287 0.016 0.000 0.898 368 K CB 1.460 33.928 32.500 -0.054 0.000 1.128 368 K HN 0.804 9.151 8.250 0.162 0.000 0.460 369 K N 8.130 128.601 120.400 0.118 0.000 2.624 369 K HA 0.263 nan 4.320 nan 0.000 0.200 369 K C -2.110 174.600 176.600 0.184 0.000 1.036 369 K CA -1.243 55.125 56.287 0.134 0.000 1.029 369 K CB 0.927 33.497 32.500 0.117 0.000 1.317 369 K HN 0.447 8.777 8.250 0.134 0.000 0.555 370 D N 1.335 121.824 120.400 0.147 0.000 2.594 370 D HA 0.191 nan 4.640 nan 0.000 0.256 370 D C 0.994 177.251 176.300 -0.073 0.000 1.393 370 D CA -0.434 53.574 54.000 0.014 0.000 0.797 370 D CB 0.085 41.025 40.800 0.234 0.000 1.110 370 D HN 0.200 8.658 8.370 0.147 0.000 0.495 371 S N 1.442 117.140 115.700 -0.002 0.000 2.419 371 S HA -0.319 nan 4.470 nan 0.000 0.233 371 S C 1.348 175.857 174.600 -0.153 0.000 1.016 371 S CA 3.558 61.699 58.200 -0.099 0.000 0.974 371 S CB -0.211 62.975 63.200 -0.024 0.000 0.786 371 S HN -0.588 7.925 8.310 0.076 -0.157 0.492 372 H N -1.440 117.580 119.070 -0.082 0.000 2.489 372 H HA -0.116 nan 4.556 nan 0.000 0.295 372 H C 0.545 175.807 175.328 -0.109 0.000 1.082 372 H CA 1.849 57.843 56.048 -0.089 0.000 1.295 372 H CB -0.574 29.145 29.762 -0.071 0.000 1.380 372 H HN 0.326 8.638 8.280 0.098 0.027 0.548 373 I N -8.196 112.118 120.570 -0.427 0.000 3.856 373 I HA 0.315 nan 4.170 nan 0.000 0.330 373 I C -0.716 175.180 176.117 -0.368 0.000 1.546 373 I CA -1.785 59.339 61.300 -0.294 0.000 1.132 373 I CB -0.016 37.804 38.000 -0.299 0.000 1.157 373 I HN -0.628 7.186 8.210 -0.602 0.035 0.440 374 K N 1.255 121.302 120.400 -0.588 0.000 2.360 374 K HA -0.268 nan 4.320 nan 0.000 0.201 374 K C 1.046 177.269 176.600 -0.628 0.000 1.046 374 K CA 2.554 58.166 56.287 -1.126 0.000 0.940 374 K CB -0.066 31.938 32.500 -0.827 0.000 0.748 374 K HN 0.060 7.872 8.250 -0.430 0.180 0.465 375 G N -2.178 106.445 108.800 -0.296 0.000 2.496 375 G HA2 -0.171 nan 3.960 nan 0.000 0.214 375 G HA3 -0.171 nan 3.960 nan 0.000 0.214 375 G C -0.477 174.389 174.900 -0.056 0.000 1.234 375 G CA 0.026 45.042 45.100 -0.141 0.000 0.807 375 G HN 0.067 8.156 8.290 -0.262 0.044 0.543 376 Q N -0.770 119.010 119.800 -0.034 0.000 2.579 376 Q HA -0.272 nan 4.340 nan 0.000 0.390 376 Q C 0.959 177.000 176.000 0.070 0.000 1.327 376 Q CA 0.745 56.560 55.803 0.020 0.000 1.085 376 Q CB 0.174 28.923 28.738 0.018 0.000 1.226 376 Q HN -0.290 7.940 8.270 -0.067 0.000 0.471 377 L N 2.007 123.251 121.223 0.034 0.000 2.240 377 L HA -0.078 nan 4.340 nan 0.000 0.211 377 L C 0.062 176.952 176.870 0.034 0.000 1.106 377 L CA 2.205 57.059 54.840 0.024 0.000 0.793 377 L CB -0.466 41.587 42.059 -0.010 0.000 0.927 377 L HN 0.275 8.512 8.230 0.012 0.000 0.446 378 R N -4.423 116.107 120.500 0.049 0.000 2.189 378 R HA -0.162 nan 4.340 nan 0.000 0.218 378 R C 0.152 176.537 176.300 0.142 0.000 1.074 378 R CA 0.517 56.660 56.100 0.072 0.000 0.991 378 R CB -0.903 29.428 30.300 0.051 0.000 0.883 378 R HN -0.260 8.000 8.270 0.038 0.032 0.457 379 Y N 1.920 122.232 120.300 0.020 0.000 2.729 379 Y HA -0.229 nan 4.550 nan 0.000 0.331 379 Y C -1.436 174.526 175.900 0.104 0.000 1.208 379 Y CA -0.302 57.835 58.100 0.062 0.000 1.521 379 Y CB -0.242 38.208 38.460 -0.015 0.000 1.233 379 Y HN -0.889 7.352 8.280 0.209 0.165 0.539 380 C N 10.908 129.973 119.300 -0.391 0.000 2.227 380 C HA 0.195 nan 4.460 nan 0.000 0.333 380 C C -1.362 173.211 174.990 -0.694 0.000 1.145 380 C CA -2.434 56.333 59.018 -0.418 0.000 1.643 380 C CB -0.482 27.097 27.740 -0.267 0.000 2.185 380 C HN 0.505 8.791 8.230 0.094 0.000 0.497 381 D N 6.834 126.917 120.400 -0.528 0.000 2.377 381 D HA -0.015 nan 4.640 nan 0.000 0.245 381 D C 0.165 176.539 176.300 0.123 0.000 1.196 381 D CA -0.163 53.720 54.000 -0.196 0.000 0.962 381 D CB 1.243 42.100 40.800 0.095 0.000 1.127 381 D HN 0.008 8.112 8.370 -0.443 0.000 0.471 382 H N 0.614 119.769 119.070 0.141 0.000 2.353 382 H HA -0.455 nan 4.556 nan 0.000 0.298 382 H C 1.959 177.426 175.328 0.232 0.000 1.103 382 H CA 4.160 60.346 56.048 0.229 0.000 1.293 382 H CB 0.311 30.194 29.762 0.201 0.000 1.372 382 H HN 0.670 9.150 8.280 0.333 0.000 0.501 383 K N -2.844 117.673 120.400 0.194 0.000 2.152 383 K HA -0.387 nan 4.320 nan 0.000 0.206 383 K C 2.664 179.245 176.600 -0.033 0.000 1.048 383 K CA 3.063 59.392 56.287 0.070 0.000 0.933 383 K CB -0.323 32.258 32.500 0.135 0.000 0.721 383 K HN -0.311 8.217 8.250 0.304 -0.095 0.447 384 H N -0.589 118.478 119.070 -0.006 0.000 2.384 384 H HA -0.111 nan 4.556 nan 0.000 0.300 384 H C 1.944 177.237 175.328 -0.058 0.000 1.057 384 H CA 3.457 59.487 56.048 -0.029 0.000 1.370 384 H CB 0.320 30.065 29.762 -0.028 0.000 1.417 384 H HN -0.493 8.014 8.280 0.325 -0.031 0.527 385 F N 0.336 120.243 119.950 -0.072 0.000 2.325 385 F HA -0.310 nan 4.527 nan 0.000 0.299 385 F C 1.375 177.028 175.800 -0.245 0.000 1.090 385 F CA 3.228 61.107 58.000 -0.201 0.000 1.392 385 F CB 0.550 39.380 39.000 -0.284 0.000 1.053 385 F HN 0.502 8.759 8.300 0.236 0.185 0.521 386 N N -0.998 117.624 118.700 -0.129 0.000 2.446 386 N HA -0.236 nan 4.740 nan 0.000 0.179 386 N C 1.680 177.189 175.510 -0.003 0.000 1.054 386 N CA 2.675 55.681 53.050 -0.073 0.000 0.905 386 N CB -0.113 38.223 38.487 -0.251 0.000 0.973 386 N HN 0.493 8.659 8.380 -0.136 0.131 0.448 387 N N -0.819 117.828 118.700 -0.088 0.000 2.142 387 N HA -0.194 nan 4.740 nan 0.000 0.186 387 N C 1.159 176.610 175.510 -0.099 0.000 1.023 387 N CA 2.692 55.684 53.050 -0.096 0.000 0.852 387 N CB 0.297 38.695 38.487 -0.149 0.000 0.998 387 N HN -0.718 7.443 8.380 -0.117 0.149 0.424 388 S N -0.610 115.006 115.700 -0.140 0.000 2.345 388 S HA -0.241 nan 4.470 nan 0.000 0.220 388 S C 1.995 176.589 174.600 -0.011 0.000 1.031 388 S CA 2.767 60.893 58.200 -0.124 0.000 0.996 388 S CB 0.279 63.307 63.200 -0.287 0.000 0.882 388 S HN -0.774 7.420 8.310 -0.195 0.000 0.445 389 F N 3.335 123.166 119.950 -0.197 0.000 2.085 389 F HA -0.424 nan 4.527 nan 0.000 0.299 389 F C 0.550 176.353 175.800 0.006 0.000 1.096 389 F CA 3.446 61.418 58.000 -0.047 0.000 1.227 389 F CB 0.106 39.120 39.000 0.024 0.000 0.983 389 F HN -0.226 8.030 8.300 -0.073 0.000 0.482 390 N N -1.666 117.090 118.700 0.093 0.000 2.521 390 N HA -0.147 nan 4.740 nan 0.000 0.188 390 N C 1.093 176.485 175.510 -0.196 0.000 1.146 390 N CA 2.129 55.148 53.050 -0.052 0.000 0.893 390 N CB -0.012 38.495 38.487 0.033 0.000 0.975 390 N HN -0.537 7.861 8.380 0.165 0.081 0.451 391 L N -2.295 118.734 121.223 -0.323 0.000 2.162 391 L HA -0.153 nan 4.340 nan 0.000 0.205 391 L C 0.818 177.187 176.870 -0.835 0.000 1.086 391 L CA 2.617 57.071 54.840 -0.642 0.000 0.778 391 L CB 0.428 41.898 42.059 -0.981 0.000 0.928 391 L HN 0.343 8.210 8.230 -0.226 0.227 0.446 392 F N -5.418 114.443 119.950 -0.148 0.000 2.694 392 F HA 0.088 nan 4.527 nan 0.000 0.292 392 F C 0.289 175.964 175.800 -0.209 0.000 1.121 392 F CA -0.044 57.866 58.000 -0.150 0.000 1.352 392 F CB 0.826 39.746 39.000 -0.132 0.000 1.107 392 F HN -0.892 7.230 8.300 -0.297 0.000 0.597 393 M N 1.456 120.915 119.600 -0.234 0.000 2.217 393 M HA -0.098 nan 4.480 nan 0.000 0.352 393 M C -0.370 175.829 176.300 -0.169 0.000 1.376 393 M CA -0.280 54.811 55.300 -0.349 0.000 1.107 393 M CB 0.477 32.561 32.600 -0.859 0.000 1.723 393 M HN -0.269 7.843 8.290 -0.297 0.000 0.461 394 S N 4.173 119.824 115.700 -0.082 0.000 2.573 394 S HA 0.054 nan 4.470 nan 0.000 0.277 394 S C 0.683 175.273 174.600 -0.017 0.000 1.346 394 S CA -0.051 58.131 58.200 -0.030 0.000 1.034 394 S CB 0.997 64.204 63.200 0.012 0.000 0.879 394 S HN 0.102 8.372 8.310 -0.067 0.000 0.528 395 T N -1.192 113.356 114.554 -0.009 0.000 3.160 395 T HA 0.006 nan 4.350 nan 0.000 0.257 395 T C -0.645 174.076 174.700 0.035 0.000 1.147 395 T CA 0.481 62.584 62.100 0.005 0.000 1.064 395 T CB -0.369 68.497 68.868 -0.005 0.000 0.949 395 T HN 0.190 8.423 8.240 -0.012 0.000 0.526 396 S N 1.607 117.338 115.700 0.051 0.000 2.312 396 S HA 0.493 nan 4.470 nan 0.000 0.173 396 S C -2.110 172.573 174.600 0.138 0.000 1.488 396 S CA -2.411 55.840 58.200 0.085 0.000 1.239 396 S CB 1.048 64.276 63.200 0.048 0.000 1.215 396 S HN -0.662 7.601 8.310 0.040 0.071 0.438 397 P HA -0.002 nan 4.420 nan 0.000 0.271 397 P C -1.701 175.843 177.300 0.405 0.000 1.218 397 P CA -0.356 62.896 63.100 0.252 0.000 0.780 397 P CB 0.459 32.279 31.700 0.200 0.000 0.901 398 F N 2.226 122.298 119.950 0.204 0.000 2.472 398 F HA -0.065 nan 4.527 nan 0.000 0.364 398 F C -0.399 175.625 175.800 0.372 0.000 1.090 398 F CA -1.610 56.516 58.000 0.208 0.000 1.188 398 F CB 0.281 39.342 39.000 0.102 0.000 1.105 398 F HN -0.018 8.534 8.300 0.421 0.000 0.536 399 Y N 6.558 126.872 120.300 0.024 0.000 2.163 399 Y HA -0.189 nan 4.550 nan 0.000 0.288 399 Y C -0.566 175.316 175.900 -0.029 0.000 1.136 399 Y CA 3.563 61.691 58.100 0.047 0.000 1.147 399 Y CB -3.123 35.421 38.460 0.140 0.000 0.987 399 Y HN 0.264 8.829 8.280 0.476 0.000 0.509 400 P HA -0.219 nan 4.420 nan 0.000 0.221 400 P C 1.054 178.321 177.300 -0.054 0.000 1.145 400 P CA 3.255 66.235 63.100 -0.201 0.000 0.795 400 P CB -0.503 30.891 31.700 -0.510 0.000 0.775 401 M N -4.949 114.526 119.600 -0.208 0.000 2.492 401 M HA -0.133 nan 4.480 nan 0.000 0.262 401 M C 1.145 177.554 176.300 0.182 0.000 1.090 401 M CA 2.159 57.544 55.300 0.141 0.000 1.110 401 M CB 0.001 32.723 32.600 0.203 0.000 1.407 401 M HN -0.428 7.477 8.290 -0.572 0.041 0.470 402 Y N 0.284 120.596 120.300 0.021 0.000 2.301 402 Y HA -0.279 nan 4.550 nan 0.000 0.295 402 Y C 0.773 176.683 175.900 0.016 0.000 1.119 402 Y CA 3.510 61.577 58.100 -0.056 0.000 1.162 402 Y CB 0.993 39.325 38.460 -0.213 0.000 1.046 402 Y HN -0.371 7.884 8.280 0.275 0.190 0.538 403 A N -1.437 121.633 122.820 0.417 0.000 2.024 403 A HA -0.417 nan 4.320 nan 0.000 0.220 403 A C 1.321 178.933 177.584 0.047 0.000 1.164 403 A CA 2.841 55.114 52.037 0.393 0.000 0.643 403 A CB -1.187 18.056 19.000 0.406 0.000 0.806 403 A HN -0.149 8.284 8.150 0.471 0.000 0.451 404 A N -2.045 120.753 122.820 -0.037 0.000 1.930 404 A HA -0.192 nan 4.320 nan 0.000 0.217 404 A C 1.919 179.375 177.584 -0.213 0.000 1.175 404 A CA 2.778 54.697 52.037 -0.197 0.000 0.627 404 A CB -0.789 18.075 19.000 -0.227 0.000 0.815 404 A HN -0.411 7.754 8.150 0.062 0.022 0.443 405 L N -2.264 118.773 121.223 -0.309 0.000 2.201 405 L HA -0.361 nan 4.340 nan 0.000 0.212 405 L C 1.972 178.655 176.870 -0.313 0.000 1.105 405 L CA 2.565 57.077 54.840 -0.548 0.000 0.775 405 L CB -0.308 40.937 42.059 -1.357 0.000 0.913 405 L HN -0.489 7.466 8.230 -0.292 0.100 0.440 406 D N -0.089 120.258 120.400 -0.090 0.000 2.103 406 D HA -0.164 nan 4.640 nan 0.000 0.199 406 D C 2.315 178.705 176.300 0.150 0.000 0.978 406 D CA 3.265 57.391 54.000 0.211 0.000 0.829 406 D CB 0.317 41.327 40.800 0.350 0.000 0.981 406 D HN -0.623 7.551 8.370 -0.127 0.120 0.464 407 V N -0.743 119.179 119.914 0.013 0.000 2.809 407 V HA -0.334 nan 4.120 nan 0.000 0.256 407 V C 1.977 178.045 176.094 -0.044 0.000 1.080 407 V CA 3.408 65.677 62.300 -0.052 0.000 1.102 407 V CB -0.694 30.982 31.823 -0.245 0.000 0.705 407 V HN 0.045 8.211 8.190 -0.040 0.000 0.475 408 N N 0.076 118.748 118.700 -0.046 0.000 2.188 408 N HA -0.289 nan 4.740 nan 0.000 0.184 408 N C 1.447 176.988 175.510 0.050 0.000 1.018 408 N CA 3.433 56.476 53.050 -0.012 0.000 0.858 408 N CB -0.173 38.309 38.487 -0.007 0.000 0.989 408 N HN -0.215 8.104 8.380 -0.079 0.013 0.426 409 A N -1.270 121.618 122.820 0.113 0.000 1.877 409 A HA -0.207 nan 4.320 nan 0.000 0.216 409 A C 1.814 179.423 177.584 0.041 0.000 1.186 409 A CA 2.810 54.907 52.037 0.100 0.000 0.620 409 A CB -0.901 18.193 19.000 0.157 0.000 0.822 409 A HN -0.648 7.488 8.150 0.126 0.090 0.443 410 A N -2.283 120.655 122.820 0.196 0.000 1.969 410 A HA -0.225 nan 4.320 nan 0.000 0.218 410 A C 1.445 179.032 177.584 0.004 0.000 1.169 410 A CA 2.476 54.612 52.037 0.166 0.000 0.635 410 A CB -0.680 18.400 19.000 0.134 0.000 0.810 410 A HN -0.745 7.541 8.150 0.227 0.000 0.445 411 M N -3.398 116.184 119.600 -0.030 0.000 2.296 411 M HA -0.285 nan 4.480 nan 0.000 0.265 411 M C 1.256 177.491 176.300 -0.108 0.000 1.064 411 M CA 2.717 57.975 55.300 -0.071 0.000 1.109 411 M CB 0.290 32.845 32.600 -0.075 0.000 1.396 411 M HN -0.669 7.526 8.290 -0.007 0.090 0.430 412 Q N -5.411 114.273 119.800 -0.193 0.000 2.376 412 Q HA 0.048 nan 4.340 nan 0.000 0.206 412 Q C 0.529 176.225 176.000 -0.508 0.000 0.921 412 Q CA -0.091 55.425 55.803 -0.479 0.000 0.911 412 Q CB 0.572 28.801 28.738 -0.848 0.000 1.032 412 Q HN -0.712 7.341 8.270 -0.149 0.128 0.510 413 E N 0.723 120.758 120.200 -0.275 0.000 2.344 413 E HA -0.118 nan 4.350 nan 0.000 0.270 413 E C -0.295 176.265 176.600 -0.068 0.000 1.021 413 E CA 0.478 56.785 56.400 -0.154 0.000 0.887 413 E CB 0.641 30.311 29.700 -0.049 0.000 0.997 413 E HN -0.751 7.346 8.360 -0.202 0.141 0.429 414 G N 4.853 113.631 108.800 -0.037 0.000 2.707 414 G HA2 -0.322 nan 3.960 nan 0.000 0.686 414 G HA3 -0.322 nan 3.960 nan 0.000 0.686 414 G C -0.780 174.132 174.900 0.020 0.000 1.315 414 G CA -0.645 44.460 45.100 0.007 0.000 0.832 414 G HN 0.124 8.386 8.290 -0.046 0.000 0.573 415 E N 1.360 121.580 120.200 0.034 0.000 2.153 415 E HA -0.361 nan 4.350 nan 0.000 0.194 415 E C 1.218 177.848 176.600 0.051 0.000 0.988 415 E CA 2.730 59.150 56.400 0.034 0.000 0.811 415 E CB -0.167 29.544 29.700 0.018 0.000 0.746 415 E HN 0.572 8.952 8.360 0.034 0.000 0.466 416 A N -2.022 120.848 122.820 0.082 0.000 1.877 416 A HA -0.224 nan 4.320 nan 0.000 0.216 416 A C 2.085 179.740 177.584 0.118 0.000 1.186 416 A CA 2.872 54.996 52.037 0.145 0.000 0.620 416 A CB -1.033 18.149 19.000 0.304 0.000 0.822 416 A HN 0.175 8.365 8.150 0.086 0.011 0.443 417 G N -1.785 107.055 108.800 0.066 0.000 2.433 417 G HA2 -0.360 nan 3.960 nan 0.000 0.216 417 G HA3 -0.360 nan 3.960 nan 0.000 0.216 417 G C 1.146 176.103 174.900 0.094 0.000 1.186 417 G CA 1.714 46.825 45.100 0.019 0.000 0.779 417 G HN -0.456 7.864 8.290 0.051 0.000 0.543 418 R N -0.371 120.185 120.500 0.093 0.000 2.316 418 R HA -0.199 nan 4.340 nan 0.000 0.202 418 R C 1.892 178.307 176.300 0.190 0.000 1.029 418 R CA 2.116 58.328 56.100 0.186 0.000 1.018 418 R CB -0.483 29.904 30.300 0.145 0.000 0.888 418 R HN 0.266 8.561 8.270 0.042 0.000 0.471 419 K N 1.085 121.560 120.400 0.125 0.000 2.211 419 K HA -0.108 nan 4.320 nan 0.000 0.201 419 K C 1.597 178.269 176.600 0.120 0.000 1.052 419 K CA 2.101 58.445 56.287 0.095 0.000 0.973 419 K CB -0.275 32.242 32.500 0.030 0.000 0.766 419 K HN -0.243 7.868 8.250 0.101 0.200 0.466 420 L N 0.405 121.673 121.223 0.075 0.000 2.046 420 L HA -0.309 nan 4.340 nan 0.000 0.208 420 L C 1.982 178.804 176.870 -0.081 0.000 1.077 420 L CA 3.310 58.127 54.840 -0.038 0.000 0.747 420 L CB -0.405 41.571 42.059 -0.138 0.000 0.896 420 L HN -0.394 7.789 8.230 0.086 0.098 0.432 421 W N -3.977 117.340 121.300 0.029 0.000 2.418 421 W HA -0.324 nan 4.660 nan 0.000 0.292 421 W C 2.022 178.544 176.519 0.006 0.000 1.213 421 W CA 3.771 61.119 57.345 0.005 0.000 1.283 421 W CB -0.184 29.291 29.460 0.025 0.000 1.119 421 W HN -0.797 7.528 8.180 0.242 0.000 0.542 422 H N 0.284 119.473 119.070 0.199 0.000 2.293 422 H HA -0.385 nan 4.556 nan 0.000 0.300 422 H C 1.981 177.339 175.328 0.051 0.000 1.082 422 H CA 4.070 60.176 56.048 0.097 0.000 1.308 422 H CB 0.107 29.907 29.762 0.063 0.000 1.375 422 H HN -0.841 7.674 8.280 0.392 0.000 0.495 423 D N -0.708 119.752 120.400 0.099 0.000 2.190 423 D HA -0.355 nan 4.640 nan 0.000 0.200 423 D C 2.351 178.602 176.300 -0.082 0.000 0.992 423 D CA 3.158 57.159 54.000 0.002 0.000 0.854 423 D CB -0.423 40.406 40.800 0.049 0.000 0.936 423 D HN -0.362 8.156 8.370 0.247 0.000 0.462 424 L N -0.852 120.331 121.223 -0.066 0.000 2.093 424 L HA -0.158 nan 4.340 nan 0.000 0.208 424 L C 1.234 178.073 176.870 -0.051 0.000 1.085 424 L CA 2.994 57.796 54.840 -0.064 0.000 0.755 424 L CB -0.059 41.956 42.059 -0.074 0.000 0.904 424 L HN -0.794 7.289 8.230 -0.029 0.129 0.435 425 L N -1.135 120.034 121.223 -0.091 0.000 2.131 425 L HA -0.289 nan 4.340 nan 0.000 0.210 425 L C 2.664 179.488 176.870 -0.077 0.000 1.092 425 L CA 2.808 57.589 54.840 -0.099 0.000 0.759 425 L CB -1.665 40.288 42.059 -0.178 0.000 0.903 425 L HN -0.420 7.654 8.230 -0.098 0.097 0.435 426 I N -1.640 118.828 120.570 -0.170 0.000 2.315 426 I HA -0.449 nan 4.170 nan 0.000 0.248 426 I C 2.526 178.630 176.117 -0.021 0.000 1.117 426 I CA 3.152 64.385 61.300 -0.112 0.000 1.404 426 I CB -1.665 36.242 38.000 -0.154 0.000 1.071 426 I HN -0.421 7.527 8.210 -0.264 0.104 0.419 427 T N 3.062 117.606 114.554 -0.017 0.000 2.732 427 T HA -0.203 nan 4.350 nan 0.000 0.261 427 T C 2.053 176.792 174.700 0.065 0.000 1.040 427 T CA 5.146 67.250 62.100 0.007 0.000 1.145 427 T CB -0.260 68.594 68.868 -0.023 0.000 0.866 427 T HN -0.533 7.591 8.240 -0.046 0.088 0.427 428 T N 5.035 119.646 114.554 0.095 0.000 2.684 428 T HA -0.297 nan 4.350 nan 0.000 0.267 428 T C 1.744 176.651 174.700 0.346 0.000 1.036 428 T CA 5.544 67.783 62.100 0.231 0.000 1.148 428 T CB -0.531 68.478 68.868 0.236 0.000 0.863 428 T HN -0.037 8.234 8.240 0.051 0.000 0.436 429 I N -1.092 119.656 120.570 0.297 0.000 2.454 429 I HA -0.436 nan 4.170 nan 0.000 0.254 429 I C 1.690 177.961 176.117 0.257 0.000 1.156 429 I CA 3.997 65.514 61.300 0.362 0.000 1.433 429 I CB -0.216 37.920 38.000 0.228 0.000 1.082 429 I HN 0.126 8.462 8.210 0.210 0.000 0.432 430 E N -1.116 119.185 120.200 0.169 0.000 2.122 430 E HA -0.179 nan 4.350 nan 0.000 0.190 430 E C 1.942 178.633 176.600 0.152 0.000 0.977 430 E CA 2.691 59.165 56.400 0.123 0.000 0.820 430 E CB -0.352 29.387 29.700 0.064 0.000 0.770 430 E HN -0.815 7.498 8.360 0.141 0.132 0.462 431 A N 0.180 123.113 122.820 0.189 0.000 1.902 431 A HA -0.302 nan 4.320 nan 0.000 0.217 431 A C 2.203 179.945 177.584 0.264 0.000 1.181 431 A CA 3.293 55.456 52.037 0.210 0.000 0.623 431 A CB -0.704 18.421 19.000 0.208 0.000 0.818 431 A HN 0.218 8.406 8.150 0.194 0.078 0.443 432 R N -2.605 118.072 120.500 0.296 0.000 2.081 432 R HA -0.376 nan 4.340 nan 0.000 0.235 432 R C 2.542 178.919 176.300 0.129 0.000 1.131 432 R CA 3.590 59.766 56.100 0.126 0.000 0.960 432 R CB -0.235 30.088 30.300 0.038 0.000 0.856 432 R HN -0.342 8.151 8.270 0.371 0.000 0.436 433 K N -0.597 119.926 120.400 0.206 0.000 2.026 433 K HA -0.346 nan 4.320 nan 0.000 0.208 433 K C 1.945 178.606 176.600 0.102 0.000 1.048 433 K CA 3.468 59.855 56.287 0.166 0.000 0.929 433 K CB -0.345 32.239 32.500 0.140 0.000 0.713 433 K HN -0.631 7.769 8.250 0.250 0.000 0.439 434 K N -0.222 120.237 120.400 0.098 0.000 2.044 434 K HA -0.310 nan 4.320 nan 0.000 0.210 434 K C 2.637 179.279 176.600 0.070 0.000 1.049 434 K CA 3.291 59.623 56.287 0.075 0.000 0.927 434 K CB -0.193 32.352 32.500 0.075 0.000 0.713 434 K HN -0.475 7.845 8.250 0.116 0.000 0.443 435 L N -1.779 119.495 121.223 0.084 0.000 2.017 435 L HA -0.374 nan 4.340 nan 0.000 0.208 435 L C 2.162 179.056 176.870 0.040 0.000 1.073 435 L CA 3.027 57.911 54.840 0.074 0.000 0.745 435 L CB -0.070 42.044 42.059 0.092 0.000 0.894 435 L HN -0.291 8.003 8.230 0.107 0.000 0.432 436 I N -1.382 119.203 120.570 0.026 0.000 2.179 436 I HA -0.545 nan 4.170 nan 0.000 0.242 436 I C 2.928 179.054 176.117 0.014 0.000 1.088 436 I CA 3.935 65.239 61.300 0.006 0.000 1.357 436 I CB -0.297 37.705 38.000 0.003 0.000 1.051 436 I HN -0.101 8.129 8.210 0.034 0.000 0.409 437 K N -0.777 119.641 120.400 0.029 0.000 2.288 437 K HA -0.218 nan 4.320 nan 0.000 0.201 437 K C 1.321 177.931 176.600 0.018 0.000 1.048 437 K CA 2.588 58.889 56.287 0.024 0.000 0.956 437 K CB -0.270 32.248 32.500 0.030 0.000 0.746 437 K HN 0.332 8.608 8.250 0.043 0.000 0.461 438 A N -3.041 119.792 122.820 0.023 0.000 2.119 438 A HA 0.031 nan 4.320 nan 0.000 0.216 438 A C 0.132 177.720 177.584 0.008 0.000 1.152 438 A CA 0.486 52.535 52.037 0.021 0.000 0.708 438 A CB 0.027 19.047 19.000 0.034 0.000 0.805 438 A HN -0.167 7.872 8.150 0.030 0.129 0.460 439 G N -2.192 106.607 108.800 -0.002 0.000 2.131 439 G HA2 -0.385 nan 3.960 nan 0.000 0.223 439 G HA3 -0.385 nan 3.960 nan 0.000 0.223 439 G C 0.118 174.990 174.900 -0.046 0.000 0.990 439 G CA -0.444 44.642 45.100 -0.023 0.000 0.671 439 G HN -0.584 7.542 8.290 0.003 0.166 0.521 440 S N 0.774 116.456 115.700 -0.030 0.000 2.559 440 S HA -0.120 nan 4.470 nan 0.000 0.282 440 S C 1.072 175.563 174.600 -0.182 0.000 1.336 440 S CA 0.753 58.913 58.200 -0.066 0.000 1.037 440 S CB 0.702 63.932 63.200 0.050 0.000 0.853 440 S HN -0.506 7.804 8.310 -0.001 0.000 0.523 441 M N 1.179 120.511 119.600 -0.446 0.000 2.514 441 M HA 0.115 nan 4.480 nan 0.000 0.258 441 M C -0.309 175.695 176.300 -0.493 0.000 1.119 441 M CA 1.367 56.357 55.300 -0.516 0.000 1.111 441 M CB 0.897 33.089 32.600 -0.679 0.000 1.390 441 M HN 0.115 8.232 8.290 -0.583 -0.177 0.475 442 F N 0.838 120.799 119.950 0.017 0.000 2.404 442 F HA 0.129 nan 4.527 nan 0.000 0.358 442 F C -1.331 174.468 175.800 -0.001 0.000 1.120 442 F CA -0.932 57.081 58.000 0.023 0.000 1.144 442 F CB -0.051 38.981 39.000 0.055 0.000 1.133 442 F HN -0.670 7.276 8.300 -0.516 0.045 0.495 443 R N 3.552 124.109 120.500 0.095 0.000 2.562 443 R HA 0.520 nan 4.340 nan 0.000 0.298 443 R C -2.114 174.161 176.300 -0.042 0.000 0.961 443 R CA -3.802 52.298 56.100 0.000 0.000 0.881 443 R CB 3.557 33.837 30.300 -0.033 0.000 1.159 443 R HN 0.071 8.406 8.270 0.108 0.000 0.450 444 P HA -0.071 nan 4.420 nan 0.000 0.264 444 P C -1.137 176.062 177.300 -0.169 0.000 1.193 444 P CA 0.109 63.050 63.100 -0.265 0.000 0.763 444 P CB 0.103 31.505 31.700 -0.497 0.000 0.810 445 F N 6.855 126.687 119.950 -0.197 0.000 2.651 445 F HA -0.063 nan 4.527 nan 0.000 0.347 445 F C -1.531 174.202 175.800 -0.112 0.000 1.284 445 F CA -0.185 57.797 58.000 -0.031 0.000 1.175 445 F CB -0.924 38.121 39.000 0.075 0.000 1.542 445 F HN -0.448 7.914 8.300 0.103 0.000 0.661 446 V N 0.806 120.329 119.914 -0.652 0.000 3.078 446 V HA 0.563 nan 4.120 nan 0.000 0.311 446 V C -2.864 172.238 176.094 -1.653 0.000 1.138 446 V CA -4.960 56.653 62.300 -1.145 0.000 1.007 446 V CB 1.929 32.795 31.823 -1.594 0.000 1.045 446 V HN -0.373 7.466 8.190 -0.548 0.023 0.432 447 P HA 0.299 nan 4.420 nan 0.000 0.263 447 P C -1.763 175.034 177.300 -0.839 0.000 1.195 447 P CA -0.883 61.265 63.100 -1.588 0.000 0.762 447 P CB -0.884 30.407 31.700 -0.682 0.000 0.799 448 P HA -0.195 nan 4.420 nan 0.000 0.213 448 P C -1.023 176.184 177.300 -0.154 0.000 1.170 448 P CA 1.834 64.740 63.100 -0.322 0.000 0.898 448 P CB 0.367 31.940 31.700 -0.211 0.000 0.787 449 V N -2.955 116.861 119.914 -0.163 0.000 2.581 449 V HA 0.591 nan 4.120 nan 0.000 0.303 449 V C -1.177 174.817 176.094 -0.165 0.000 1.041 449 V CA -0.995 61.239 62.300 -0.111 0.000 0.907 449 V CB 2.532 34.311 31.823 -0.073 0.000 0.994 449 V HN -0.503 7.559 8.190 -0.213 0.000 0.442 450 V N 3.930 123.716 119.914 -0.213 0.000 2.737 450 V HA 0.289 nan 4.120 nan 0.000 0.298 450 V C -1.761 174.130 176.094 -0.337 0.000 1.163 450 V CA -0.199 61.882 62.300 -0.365 0.000 0.925 450 V CB 3.659 35.036 31.823 -0.743 0.000 1.037 450 V HN 0.654 8.742 8.190 -0.169 0.000 0.433 451 N N 4.054 122.608 118.700 -0.243 0.000 2.756 451 N HA -0.296 nan 4.740 nan 0.000 0.248 451 N C 0.953 176.403 175.510 -0.100 0.000 1.062 451 N CA 0.634 53.590 53.050 -0.157 0.000 0.696 451 N CB -0.903 37.484 38.487 -0.167 0.000 0.946 451 N HN 0.589 8.841 8.380 -0.213 0.000 0.548 452 G N -4.779 103.971 108.800 -0.085 0.000 2.674 452 G HA2 -0.415 nan 3.960 nan 0.000 0.236 452 G HA3 -0.415 nan 3.960 nan 0.000 0.236 452 G C -0.464 174.405 174.900 -0.050 0.000 1.178 452 G CA 0.708 45.775 45.100 -0.055 0.000 0.721 452 G HN 0.307 8.542 8.290 -0.093 0.000 0.515 453 K N 1.970 122.337 120.400 -0.054 0.000 2.102 453 K HA 0.169 nan 4.320 nan 0.000 0.244 453 K C -1.038 175.538 176.600 -0.040 0.000 1.021 453 K CA -1.175 55.091 56.287 -0.036 0.000 0.913 453 K CB 0.998 33.486 32.500 -0.021 0.000 1.062 453 K HN 0.056 8.162 8.250 -0.067 0.104 0.485 454 K N -1.215 119.178 120.400 -0.011 0.000 2.144 454 K HA 0.145 nan 4.320 nan 0.000 0.270 454 K C 1.082 177.723 176.600 0.069 0.000 1.005 454 K CA -0.662 55.632 56.287 0.012 0.000 0.932 454 K CB 0.545 33.055 32.500 0.018 0.000 1.021 454 K HN -0.040 8.207 8.250 -0.006 0.000 0.462 455 W N 4.993 126.227 121.300 -0.110 0.000 2.269 455 W HA -0.601 nan 4.660 nan 0.000 0.336 455 W C 1.109 177.614 176.519 -0.024 0.000 1.333 455 W CA 4.902 62.209 57.345 -0.063 0.000 1.299 455 W CB 0.201 29.534 29.460 -0.211 0.000 1.126 455 W HN 1.023 9.173 8.180 0.146 0.118 0.474 456 E N -4.205 116.202 120.200 0.344 0.000 2.526 456 E HA -0.261 nan 4.350 nan 0.000 0.198 456 E C 0.340 176.958 176.600 0.030 0.000 1.091 456 E CA 1.253 57.781 56.400 0.213 0.000 0.880 456 E CB -1.527 28.309 29.700 0.226 0.000 0.873 456 E HN 0.163 8.733 8.360 0.349 0.000 0.527 457 D N -0.022 120.376 120.400 -0.002 0.000 2.501 457 D HA 0.185 nan 4.640 nan 0.000 0.226 457 D C -0.049 176.215 176.300 -0.059 0.000 1.198 457 D CA -0.259 53.727 54.000 -0.024 0.000 0.830 457 D CB 0.228 41.027 40.800 -0.002 0.000 1.014 457 D HN 0.197 8.355 8.370 0.015 0.220 0.496 458 G N -0.355 108.358 108.800 -0.146 0.000 2.462 458 G HA2 0.110 nan 3.960 nan 0.000 0.319 458 G HA3 0.110 nan 3.960 nan 0.000 0.319 458 G C -2.174 172.568 174.900 -0.263 0.000 1.171 458 G CA -1.427 43.551 45.100 -0.204 0.000 0.920 458 G HN -0.748 7.342 8.290 -0.213 0.072 0.499 459 D N -0.126 120.136 120.400 -0.229 0.000 2.358 459 D HA 0.011 nan 4.640 nan 0.000 0.258 459 D C 1.261 177.407 176.300 -0.257 0.000 1.223 459 D CA 0.382 54.274 54.000 -0.179 0.000 0.886 459 D CB 1.638 42.371 40.800 -0.111 0.000 1.120 459 D HN 0.101 8.355 8.370 -0.192 0.000 0.482 460 T N 2.919 117.350 114.554 -0.204 0.000 2.635 460 T HA -0.446 nan 4.350 nan 0.000 0.267 460 T C 1.103 175.713 174.700 -0.150 0.000 1.040 460 T CA 3.880 65.862 62.100 -0.198 0.000 1.156 460 T CB -0.483 68.321 68.868 -0.107 0.000 0.863 460 T HN 0.323 8.472 8.240 -0.152 0.000 0.430 461 E N 0.927 121.077 120.200 -0.083 0.000 2.267 461 E HA -0.299 nan 4.350 nan 0.000 0.197 461 E C 0.833 177.414 176.600 -0.032 0.000 0.998 461 E CA 2.291 58.682 56.400 -0.016 0.000 0.830 461 E CB -0.816 28.900 29.700 0.027 0.000 0.751 461 E HN -0.050 8.272 8.360 -0.073 -0.006 0.491 462 D N -1.847 118.487 120.400 -0.110 0.000 2.110 462 D HA -0.102 nan 4.640 nan 0.000 0.202 462 D C 2.364 178.566 176.300 -0.164 0.000 0.975 462 D CA 2.448 56.382 54.000 -0.110 0.000 0.839 462 D CB 0.483 41.205 40.800 -0.130 0.000 0.996 462 D HN -0.298 7.938 8.370 -0.152 0.043 0.464 463 M N -0.131 119.229 119.600 -0.400 0.000 2.346 463 M HA -0.368 nan 4.480 nan 0.000 0.263 463 M C 1.838 178.211 176.300 0.122 0.000 1.064 463 M CA 3.572 58.609 55.300 -0.438 0.000 1.083 463 M CB -0.087 31.993 32.600 -0.867 0.000 1.399 463 M HN 0.170 8.180 8.290 -0.466 0.000 0.435 464 A N -3.217 119.618 122.820 0.025 0.000 2.206 464 A HA -0.133 nan 4.320 nan 0.000 0.211 464 A C 0.071 177.684 177.584 0.049 0.000 1.158 464 A CA 1.780 53.827 52.037 0.017 0.000 0.761 464 A CB -0.839 18.098 19.000 -0.105 0.000 0.801 464 A HN 0.000 7.965 8.150 -0.057 0.151 0.473 465 N N -4.655 114.094 118.700 0.082 0.000 2.067 465 N HA 0.062 nan 4.740 nan 0.000 0.227 465 N C -1.113 174.457 175.510 0.099 0.000 1.348 465 N CA 0.180 53.276 53.050 0.077 0.000 0.879 465 N CB 2.770 41.300 38.487 0.072 0.000 1.109 465 N HN -0.090 8.148 8.380 0.070 0.184 0.501 466 N N 1.544 120.342 118.700 0.163 0.000 2.589 466 N HA 0.126 nan 4.740 nan 0.000 0.232 466 N C 0.274 176.017 175.510 0.388 0.000 1.015 466 N CA -1.554 51.633 53.050 0.227 0.000 0.931 466 N CB 0.020 38.648 38.487 0.235 0.000 1.150 466 N HN -0.149 8.223 8.380 0.160 0.104 0.512 467 I N 6.587 127.335 120.570 0.296 0.000 2.657 467 I HA -0.407 nan 4.170 nan 0.000 0.261 467 I C 0.865 177.192 176.117 0.351 0.000 1.212 467 I CA 1.607 63.125 61.300 0.363 0.000 1.453 467 I CB 0.273 38.350 38.000 0.129 0.000 1.092 467 I HN 0.578 8.896 8.210 0.180 0.000 0.452 468 D N 1.284 121.821 120.400 0.229 0.000 2.190 468 D HA -0.314 nan 4.640 nan 0.000 0.200 468 D C 2.545 178.810 176.300 -0.059 0.000 0.992 468 D CA 3.483 57.522 54.000 0.065 0.000 0.854 468 D CB -0.485 40.281 40.800 -0.056 0.000 0.936 468 D HN 0.048 8.812 8.370 0.229 -0.257 0.462 469 Y N -2.872 117.330 120.300 -0.164 0.000 2.529 469 Y HA -0.196 nan 4.550 nan 0.000 0.290 469 Y C -0.542 174.931 175.900 -0.711 0.000 1.177 469 Y CA 1.801 59.595 58.100 -0.511 0.000 1.305 469 Y CB -0.006 37.920 38.460 -0.890 0.000 1.047 469 Y HN -0.643 7.794 8.280 0.311 0.030 0.522 470 W N -2.656 118.789 121.300 0.242 0.000 2.237 470 W HA 0.248 nan 4.660 nan 0.000 0.289 470 W C -1.524 175.073 176.519 0.130 0.000 0.988 470 W CA -1.122 56.315 57.345 0.155 0.000 1.671 470 W CB 0.367 29.922 29.460 0.158 0.000 1.746 470 W HN -0.092 8.025 8.180 0.226 0.198 0.380 471 R N 0.427 121.008 120.500 0.136 0.000 2.604 471 R HA 0.294 nan 4.340 nan 0.000 0.261 471 R C -1.648 174.694 176.300 0.070 0.000 1.080 471 R CA -0.110 56.057 56.100 0.111 0.000 0.917 471 R CB 3.697 34.141 30.300 0.239 0.000 1.252 471 R HN -0.435 7.861 8.270 0.043 0.000 0.456 472 F N 4.905 124.966 119.950 0.185 0.000 2.406 472 F HA 0.115 nan 4.527 nan 0.000 0.358 472 F C -0.038 175.948 175.800 0.310 0.000 1.161 472 F CA -0.764 57.292 58.000 0.094 0.000 1.185 472 F CB -0.473 38.384 39.000 -0.238 0.000 1.421 472 F HN 0.181 8.556 8.300 0.125 0.000 0.576 473 E N 4.493 125.041 120.200 0.580 0.000 2.437 473 E HA -0.178 nan 4.350 nan 0.000 0.263 473 E C -0.684 176.125 176.600 0.348 0.000 1.030 473 E CA 0.451 57.074 56.400 0.371 0.000 0.934 473 E CB 0.638 30.508 29.700 0.283 0.000 0.943 473 E HN -0.184 8.560 8.360 0.640 0.000 0.444 474 K N 4.501 125.033 120.400 0.219 0.000 2.294 474 K HA -0.228 nan 4.320 nan 0.000 0.288 474 K C 0.147 176.805 176.600 0.096 0.000 1.072 474 K CA 0.606 56.996 56.287 0.172 0.000 0.960 474 K CB -0.473 32.103 32.500 0.127 0.000 1.043 474 K HN 0.348 8.705 8.250 0.179 0.000 0.455 475 G N 4.326 113.152 108.800 0.044 0.000 2.580 475 G HA2 -0.252 nan 3.960 nan 0.000 0.204 475 G HA3 -0.252 nan 3.960 nan 0.000 0.204 475 G C -1.535 173.278 174.900 -0.145 0.000 1.107 475 G CA -0.333 44.744 45.100 -0.039 0.000 0.881 475 G HN -0.077 8.257 8.290 0.074 0.000 0.497 476 A N -0.538 122.037 122.820 -0.409 0.000 2.347 476 A HA 0.266 nan 4.320 nan 0.000 0.287 476 A C 0.559 177.858 177.584 -0.474 0.000 1.199 476 A CA -0.821 50.820 52.037 -0.661 0.000 0.851 476 A CB 0.480 18.392 19.000 -1.814 0.000 1.118 476 A HN 0.091 7.978 8.150 -0.439 0.000 0.525 477 K N 6.151 126.448 120.400 -0.172 0.000 2.113 477 K HA -0.322 nan 4.320 nan 0.000 0.208 477 K C 0.041 176.621 176.600 -0.033 0.000 1.047 477 K CA 2.978 59.230 56.287 -0.058 0.000 0.928 477 K CB -0.476 32.054 32.500 0.049 0.000 0.716 477 K HN 0.571 8.767 8.250 -0.090 0.000 0.446 478 W N -2.228 119.009 121.300 -0.106 0.000 2.574 478 W HA 0.030 nan 4.660 nan 0.000 0.282 478 W C 0.535 177.111 176.519 0.094 0.000 1.197 478 W CA 1.035 58.369 57.345 -0.018 0.000 1.376 478 W CB -0.590 28.856 29.460 -0.024 0.000 1.091 478 W HN -0.152 8.054 8.180 0.072 0.018 0.569 479 H N -1.951 116.489 119.070 -1.051 0.000 2.512 479 H HA -0.057 nan 4.556 nan 0.000 0.279 479 H C 0.451 175.479 175.328 -0.499 0.000 0.999 479 H CA -0.064 55.475 56.048 -0.849 0.000 1.283 479 H CB -0.054 28.966 29.762 -1.238 0.000 1.421 479 H HN -0.854 6.422 8.280 -1.674 0.000 0.554 480 A N -1.182 121.404 122.820 -0.391 0.000 3.829 480 A HA -0.398 nan 4.320 nan 0.000 0.264 480 A C -0.843 176.560 177.584 -0.302 0.000 0.998 480 A CA 1.066 52.904 52.037 -0.333 0.000 1.270 480 A CB -1.681 17.118 19.000 -0.335 0.000 1.063 480 A HN -0.546 7.242 8.150 -0.553 0.030 0.879 481 Y N -1.130 119.065 120.300 -0.175 0.000 2.650 481 Y HA -0.168 nan 4.550 nan 0.000 0.331 481 Y C 0.442 176.116 175.900 -0.377 0.000 1.165 481 Y CA 0.422 58.259 58.100 -0.438 0.000 1.473 481 Y CB -0.143 37.716 38.460 -1.003 0.000 1.224 481 Y HN -0.285 7.785 8.280 -0.157 0.116 0.533 482 E N 5.987 126.091 120.200 -0.160 0.000 2.022 482 E HA -0.055 nan 4.350 nan 0.000 0.190 482 E C 1.157 177.729 176.600 -0.046 0.000 0.973 482 E CA 1.440 57.796 56.400 -0.073 0.000 0.816 482 E CB 0.529 30.246 29.700 0.029 0.000 0.781 482 E HN 0.086 8.357 8.360 -0.148 0.000 0.456 483 G N 0.301 109.020 108.800 -0.136 0.000 3.636 483 G HA2 0.206 nan 3.960 nan 0.000 0.260 483 G HA3 0.206 nan 3.960 nan 0.000 0.260 483 G C -1.891 173.028 174.900 0.031 0.000 1.014 483 G CA -0.451 44.648 45.100 -0.002 0.000 1.797 483 G HN 0.142 8.531 8.290 -0.322 -0.292 0.637 484 Y N 0.915 121.183 120.300 -0.052 0.000 2.630 484 Y HA 0.684 nan 4.550 nan 0.000 0.337 484 Y C -1.345 174.591 175.900 0.061 0.000 1.051 484 Y CA -3.060 55.053 58.100 0.021 0.000 1.121 484 Y CB 3.796 42.291 38.460 0.059 0.000 1.299 484 Y HN -0.854 7.445 8.280 0.122 0.053 0.498 485 G N -2.221 106.703 108.800 0.208 0.000 3.251 485 G HA2 0.232 nan 3.960 nan 0.000 0.248 485 G HA3 0.232 nan 3.960 nan 0.000 0.248 485 G C -2.059 172.880 174.900 0.065 0.000 1.320 485 G CA -1.735 43.432 45.100 0.113 0.000 0.982 485 G HN 0.470 9.085 8.290 0.154 -0.232 0.575 486 D N -0.196 120.226 120.400 0.036 0.000 2.350 486 D HA -0.085 nan 4.640 nan 0.000 0.249 486 D C 0.401 176.673 176.300 -0.047 0.000 1.119 486 D CA 1.160 55.171 54.000 0.018 0.000 0.886 486 D CB 0.549 41.371 40.800 0.036 0.000 1.195 486 D HN 0.031 8.427 8.370 0.044 0.000 0.437 487 N N 2.331 120.996 118.700 -0.059 0.000 2.678 487 N HA -0.442 nan 4.740 nan 0.000 0.249 487 N C -0.829 174.523 175.510 -0.264 0.000 1.119 487 N CA 1.440 54.432 53.050 -0.097 0.000 0.718 487 N CB -0.449 38.050 38.487 0.020 0.000 1.060 487 N HN 0.468 8.839 8.380 -0.016 0.000 0.552 488 Q N -4.257 115.295 119.800 -0.412 0.000 2.200 488 Q HA -0.070 nan 4.340 nan 0.000 0.197 488 Q C -1.067 174.250 176.000 -1.138 0.000 0.953 488 Q CA 2.318 57.702 55.803 -0.698 0.000 0.851 488 Q CB 2.024 30.329 28.738 -0.722 0.000 0.938 488 Q HN -0.379 7.665 8.270 -0.309 0.040 0.488 489 Y N -6.696 113.206 120.300 -0.663 0.000 2.512 489 Y HA 0.471 nan 4.550 nan 0.000 0.348 489 Y C -0.858 174.667 175.900 -0.625 0.000 0.990 489 Y CA -1.927 55.782 58.100 -0.651 0.000 1.033 489 Y CB 3.139 41.194 38.460 -0.675 0.000 1.259 489 Y HN -0.561 7.375 8.280 -0.572 0.000 0.461 490 Y N -2.364 118.123 120.300 0.311 0.000 2.634 490 Y HA 0.305 nan 4.550 nan 0.000 0.340 490 Y C -1.368 174.631 175.900 0.166 0.000 1.058 490 Y CA -1.730 56.474 58.100 0.174 0.000 1.081 490 Y CB 3.479 42.025 38.460 0.143 0.000 1.295 490 Y HN 0.224 8.634 8.280 0.217 0.000 0.487 491 V N 0.644 120.650 119.914 0.154 0.000 2.407 491 V HA 0.029 nan 4.120 nan 0.000 0.278 491 V C -0.471 175.804 176.094 0.301 0.000 1.037 491 V CA -1.189 61.194 62.300 0.139 0.000 0.900 491 V CB -0.105 31.719 31.823 0.002 0.000 0.983 491 V HN -0.096 8.113 8.190 0.232 0.120 0.459 492 D N 8.214 128.784 120.400 0.283 0.000 2.358 492 D HA 0.235 nan 4.640 nan 0.000 0.258 492 D C -0.627 175.772 176.300 0.164 0.000 1.223 492 D CA -2.265 51.871 54.000 0.227 0.000 0.886 492 D CB 1.417 42.379 40.800 0.269 0.000 1.120 492 D HN 0.080 8.533 8.370 0.311 0.103 0.482 493 P HA -0.035 nan 4.420 nan 0.000 0.236 493 P C -0.781 176.510 177.300 -0.015 0.000 1.177 493 P CA 0.688 63.680 63.100 -0.180 0.000 0.773 493 P CB 0.503 31.681 31.700 -0.870 0.000 0.878 494 N N -1.643 117.058 118.700 0.003 0.000 2.376 494 N HA 0.076 nan 4.740 nan 0.000 0.249 494 N C -1.395 174.241 175.510 0.209 0.000 1.140 494 N CA -0.057 53.029 53.050 0.059 0.000 0.870 494 N CB 0.298 38.682 38.487 -0.173 0.000 1.124 494 N HN -0.299 8.317 8.380 -0.000 -0.236 0.505 495 K N 0.495 121.037 120.400 0.237 0.000 2.592 495 K HA 0.212 nan 4.320 nan 0.000 0.212 495 K C -1.518 175.255 176.600 0.289 0.000 1.013 495 K CA -1.110 55.325 56.287 0.246 0.000 1.034 495 K CB 0.819 33.426 32.500 0.178 0.000 1.292 495 K HN -0.814 7.471 8.250 0.214 0.094 0.521 496 F N 6.705 126.766 119.950 0.186 0.000 2.516 496 F HA -0.182 nan 4.527 nan 0.000 0.351 496 F C -2.035 173.918 175.800 0.255 0.000 1.208 496 F CA 0.348 58.474 58.000 0.210 0.000 1.073 496 F CB 0.525 39.652 39.000 0.212 0.000 1.203 496 F HN 0.254 8.843 8.300 0.482 0.000 0.602 497 M N 7.720 127.398 119.600 0.130 0.000 2.336 497 M HA 0.763 nan 4.480 nan 0.000 0.342 497 M C -2.118 174.207 176.300 0.042 0.000 1.128 497 M CA -1.169 54.186 55.300 0.090 0.000 1.016 497 M CB 2.836 35.423 32.600 -0.021 0.000 1.665 497 M HN -0.231 8.078 8.290 0.033 0.000 0.445 498 L N 4.737 126.031 121.223 0.118 0.000 2.381 498 L HA 0.765 nan 4.340 nan 0.000 0.268 498 L C -1.337 175.585 176.870 0.087 0.000 0.997 498 L CA -1.560 53.348 54.840 0.113 0.000 0.818 498 L CB 3.601 45.795 42.059 0.224 0.000 1.310 498 L HN 0.902 9.221 8.230 0.148 0.000 0.416 499 T N -0.525 114.055 114.554 0.043 0.000 2.902 499 T HA 0.643 nan 4.350 nan 0.000 0.283 499 T C 0.023 174.793 174.700 0.116 0.000 1.009 499 T CA -2.263 59.803 62.100 -0.057 0.000 1.051 499 T CB 1.482 70.126 68.868 -0.372 0.000 0.999 499 T HN 0.386 8.659 8.240 0.055 0.000 0.474 500 T N -1.466 113.169 114.554 0.135 0.000 2.929 500 T HA 0.584 nan 4.350 nan 0.000 0.284 500 T C -1.943 172.811 174.700 0.089 0.000 1.014 500 T CA -3.245 58.969 62.100 0.190 0.000 1.051 500 T CB -0.483 68.496 68.868 0.184 0.000 1.028 500 T HN 0.657 8.827 8.240 0.090 0.124 0.485 501 P HA -0.262 nan 4.420 nan 0.000 0.265 501 P C -0.151 177.095 177.300 -0.090 0.000 1.187 501 P CA 0.733 63.815 63.100 -0.030 0.000 0.766 501 P CB 0.065 31.740 31.700 -0.041 0.000 0.820 502 G N -0.908 107.845 108.800 -0.079 0.000 3.110 502 G HA2 -0.170 nan 3.960 nan 0.000 0.205 502 G HA3 -0.170 nan 3.960 nan 0.000 0.205 502 G C -1.677 173.240 174.900 0.030 0.000 1.019 502 G CA 0.395 45.446 45.100 -0.083 0.000 0.826 502 G HN -0.014 8.548 8.290 -0.036 -0.294 0.481 503 I N 0.972 121.471 120.570 -0.119 0.000 2.433 503 I HA 0.261 nan 4.170 nan 0.000 0.292 503 I C -2.314 173.677 176.117 -0.209 0.000 1.001 503 I CA -1.134 59.973 61.300 -0.322 0.000 1.119 503 I CB 2.406 39.931 38.000 -0.792 0.000 1.289 503 I HN -0.664 7.497 8.210 -0.082 0.000 0.438 504 N N 8.048 126.648 118.700 -0.167 0.000 2.419 504 N HA 0.270 nan 4.740 nan 0.000 0.264 504 N C -1.392 174.046 175.510 -0.120 0.000 1.031 504 N CA -2.729 50.270 53.050 -0.084 0.000 0.951 504 N CB 1.614 40.090 38.487 -0.019 0.000 1.101 504 N HN 0.469 8.635 8.380 -0.185 0.104 0.488 505 P HA -0.226 nan 4.420 nan 0.000 0.205 505 P C 0.370 177.650 177.300 -0.033 0.000 1.181 505 P CA 2.296 65.386 63.100 -0.016 0.000 0.933 505 P CB 0.348 32.080 31.700 0.052 0.000 0.775 506 E N -3.347 116.849 120.200 -0.008 0.000 2.049 506 E HA -0.243 nan 4.350 nan 0.000 0.198 506 E C 1.939 178.526 176.600 -0.022 0.000 1.007 506 E CA 2.070 58.465 56.400 -0.008 0.000 0.809 506 E CB -0.588 29.114 29.700 0.003 0.000 0.749 506 E HN 0.293 8.732 8.360 0.004 -0.077 0.450 507 T N -7.764 106.778 114.554 -0.020 0.000 3.043 507 T HA 0.117 nan 4.350 nan 0.000 0.263 507 T C 1.751 176.437 174.700 -0.023 0.000 1.094 507 T CA 0.229 62.322 62.100 -0.011 0.000 1.127 507 T CB 0.574 69.447 68.868 0.009 0.000 0.905 507 T HN -0.559 7.908 8.240 -0.018 -0.238 0.490 508 G N 3.409 112.163 108.800 -0.078 0.000 2.180 508 G HA2 -0.461 nan 3.960 nan 0.000 0.263 508 G HA3 -0.461 nan 3.960 nan 0.000 0.263 508 G C -1.303 173.577 174.900 -0.033 0.000 0.989 508 G CA 0.693 45.709 45.100 -0.140 0.000 0.692 508 G HN 0.259 8.265 8.290 -0.090 0.230 0.526 509 D N -1.113 119.313 120.400 0.042 0.000 2.494 509 D HA 0.356 nan 4.640 nan 0.000 0.259 509 D C -0.650 175.738 176.300 0.147 0.000 1.109 509 D CA -1.797 52.332 54.000 0.216 0.000 1.040 509 D CB 1.519 42.430 40.800 0.186 0.000 1.175 509 D HN -0.735 7.551 8.370 0.014 0.093 0.584 510 Y N -2.792 117.593 120.300 0.142 0.000 2.281 510 Y HA 0.081 nan 4.550 nan 0.000 0.337 510 Y C 0.218 176.188 175.900 0.117 0.000 1.304 510 Y CA 0.798 58.971 58.100 0.122 0.000 1.465 510 Y CB 1.053 39.583 38.460 0.116 0.000 1.350 510 Y HN 0.087 8.788 8.280 0.700 0.000 0.575 511 E N -0.174 120.236 120.200 0.350 0.000 2.446 511 E HA 0.098 nan 4.350 nan 0.000 0.251 511 E C -0.698 176.126 176.600 0.374 0.000 1.087 511 E CA -1.132 55.414 56.400 0.243 0.000 0.937 511 E CB 1.789 31.570 29.700 0.136 0.000 1.254 511 E HN 0.177 8.737 8.360 0.471 0.082 0.479 512 D N -1.534 119.030 120.400 0.274 0.000 2.213 512 D HA -0.058 nan 4.640 nan 0.000 0.205 512 D C -1.409 175.117 176.300 0.377 0.000 0.961 512 D CA 1.738 55.925 54.000 0.312 0.000 0.853 512 D CB 0.438 41.351 40.800 0.188 0.000 0.967 512 D HN 0.309 8.793 8.370 0.191 0.000 0.496 513 F N -1.435 118.486 119.950 -0.048 0.000 2.522 513 F HA 0.223 nan 4.527 nan 0.000 0.324 513 F C -1.876 173.497 175.800 -0.711 0.000 1.077 513 F CA -0.520 57.306 58.000 -0.290 0.000 0.944 513 F CB 3.357 42.282 39.000 -0.125 0.000 1.175 513 F HN -0.770 7.651 8.300 0.203 0.000 0.468 514 G N 1.892 109.741 108.800 -1.585 0.000 2.733 514 G HA2 0.286 nan 3.960 nan 0.000 0.297 514 G HA3 0.286 nan 3.960 nan 0.000 0.297 514 G C -2.863 171.514 174.900 -0.871 0.000 1.422 514 G CA -0.254 44.208 45.100 -1.064 0.000 0.942 514 G HN -0.339 6.872 8.290 -1.799 0.000 0.510 515 V N 0.895 120.547 119.914 -0.437 0.000 2.275 515 V HA 0.301 nan 4.120 nan 0.000 0.272 515 V C -1.720 174.321 176.094 -0.088 0.000 1.028 515 V CA -3.496 58.653 62.300 -0.252 0.000 0.810 515 V CB 0.626 32.425 31.823 -0.039 0.000 1.043 515 V HN 0.589 8.504 8.190 -0.279 0.107 0.453 516 P HA -0.084 nan 4.420 nan 0.000 0.262 516 P C -0.433 176.859 177.300 -0.013 0.000 1.182 516 P CA -0.039 63.037 63.100 -0.041 0.000 0.761 516 P CB 0.587 32.243 31.700 -0.074 0.000 0.795 517 A N 6.191 129.008 122.820 -0.004 0.000 1.986 517 A HA -0.383 nan 4.320 nan 0.000 0.220 517 A C 1.853 179.444 177.584 0.011 0.000 1.171 517 A CA 3.393 55.430 52.037 -0.001 0.000 0.640 517 A CB -0.450 18.539 19.000 -0.019 0.000 0.811 517 A HN 0.759 8.791 8.150 -0.016 0.108 0.451 518 T N -0.310 114.267 114.554 0.038 0.000 2.803 518 T HA -0.245 nan 4.350 nan 0.000 0.269 518 T C 2.018 176.813 174.700 0.157 0.000 1.052 518 T CA 3.802 65.966 62.100 0.107 0.000 1.136 518 T CB -0.691 68.290 68.868 0.189 0.000 0.864 518 T HN 0.231 8.464 8.240 0.022 0.020 0.467 519 I N -0.511 120.128 120.570 0.115 0.000 2.286 519 I HA -0.267 nan 4.170 nan 0.000 0.248 519 I C 1.663 177.854 176.117 0.123 0.000 1.115 519 I CA 2.905 64.288 61.300 0.139 0.000 1.392 519 I CB -1.299 36.720 38.000 0.031 0.000 1.065 519 I HN -0.162 7.951 8.210 0.048 0.126 0.418 520 V N 0.346 120.288 119.914 0.047 0.000 2.323 520 V HA -0.356 nan 4.120 nan 0.000 0.244 520 V C 1.675 177.811 176.094 0.070 0.000 1.041 520 V CA 4.192 66.487 62.300 -0.007 0.000 1.025 520 V CB -1.202 30.510 31.823 -0.186 0.000 0.656 520 V HN -0.477 7.613 8.190 0.028 0.116 0.451 521 A N -0.896 121.952 122.820 0.047 0.000 1.908 521 A HA -0.425 nan 4.320 nan 0.000 0.218 521 A C 1.861 179.495 177.584 0.083 0.000 1.181 521 A CA 3.601 55.664 52.037 0.043 0.000 0.627 521 A CB -0.762 18.245 19.000 0.011 0.000 0.818 521 A HN 0.506 8.676 8.150 0.033 0.000 0.445 522 N N -1.361 117.405 118.700 0.109 0.000 2.142 522 N HA -0.287 nan 4.740 nan 0.000 0.186 522 N C 1.631 177.234 175.510 0.154 0.000 1.023 522 N CA 3.740 56.855 53.050 0.108 0.000 0.852 522 N CB 0.033 38.585 38.487 0.108 0.000 0.998 522 N HN -0.378 8.068 8.380 0.119 0.005 0.424 523 Y N 1.643 121.989 120.300 0.078 0.000 2.070 523 Y HA -0.435 nan 4.550 nan 0.000 0.280 523 Y C 1.656 177.632 175.900 0.127 0.000 1.148 523 Y CA 3.783 61.935 58.100 0.086 0.000 1.125 523 Y CB 0.094 38.550 38.460 -0.007 0.000 0.975 523 Y HN -0.384 7.996 8.280 0.287 0.073 0.492 524 L N -2.286 119.020 121.223 0.138 0.000 1.963 524 L HA -0.611 nan 4.340 nan 0.000 0.220 524 L C 2.554 179.456 176.870 0.054 0.000 1.076 524 L CA 3.561 58.447 54.840 0.076 0.000 0.772 524 L CB -0.471 41.685 42.059 0.162 0.000 0.892 524 L HN 0.239 8.619 8.230 0.250 0.000 0.435 525 R N -1.509 119.030 120.500 0.064 0.000 2.119 525 R HA -0.460 nan 4.340 nan 0.000 0.246 525 R C 2.613 178.919 176.300 0.011 0.000 1.146 525 R CA 3.386 59.511 56.100 0.041 0.000 0.962 525 R CB -0.422 29.898 30.300 0.033 0.000 0.863 525 R HN -0.166 8.151 8.270 0.078 0.000 0.442 526 D N -2.402 118.007 120.400 0.014 0.000 2.351 526 D HA -0.127 nan 4.640 nan 0.000 0.216 526 D C 0.988 177.105 176.300 -0.304 0.000 0.968 526 D CA 2.165 56.116 54.000 -0.081 0.000 0.899 526 D CB -0.022 40.761 40.800 -0.028 0.000 0.907 526 D HN -0.276 8.116 8.370 0.047 0.006 0.514 527 H N -2.470 116.472 119.070 -0.213 0.000 2.528 527 H HA 0.215 nan 4.556 nan 0.000 0.256 527 H C -0.015 175.258 175.328 -0.093 0.000 1.204 527 H CA -1.108 54.828 56.048 -0.186 0.000 0.955 527 H CB -0.977 28.602 29.762 -0.306 0.000 1.817 527 H HN -0.107 8.010 8.280 0.082 0.212 0.579 528 G N 0.295 109.091 108.800 -0.006 0.000 2.283 528 G HA2 -0.447 nan 3.960 nan 0.000 0.280 528 G HA3 -0.447 nan 3.960 nan 0.000 0.280 528 G C -0.981 173.943 174.900 0.039 0.000 1.029 528 G CA 1.194 46.301 45.100 0.012 0.000 0.840 528 G HN -0.172 8.031 8.290 -0.045 0.060 0.505 529 I N -0.152 120.453 120.570 0.058 0.000 2.500 529 I HA 0.067 nan 4.170 nan 0.000 0.286 529 I C -1.550 174.632 176.117 0.108 0.000 1.063 529 I CA -1.094 60.258 61.300 0.087 0.000 1.062 529 I CB 2.786 40.846 38.000 0.100 0.000 1.223 529 I HN -0.886 7.358 8.210 0.055 0.000 0.435 530 I N 6.337 126.973 120.570 0.109 0.000 2.287 530 I HA 0.291 nan 4.170 nan 0.000 0.290 530 I C -1.478 174.709 176.117 0.117 0.000 1.069 530 I CA -5.247 56.113 61.300 0.100 0.000 1.237 530 I CB -1.389 36.662 38.000 0.085 0.000 1.418 530 I HN 0.118 8.390 8.210 0.104 0.000 0.481 531 P HA 0.183 nan 4.420 nan 0.000 0.274 531 P C -0.919 176.337 177.300 -0.073 0.000 1.237 531 P CA -0.798 62.244 63.100 -0.095 0.000 0.793 531 P CB 0.828 32.395 31.700 -0.222 0.000 0.977 532 E N 2.232 122.363 120.200 -0.115 0.000 2.112 532 E HA -0.108 nan 4.350 nan 0.000 0.190 532 E C -0.034 176.572 176.600 0.011 0.000 0.979 532 E CA 1.152 57.571 56.400 0.031 0.000 0.814 532 E CB 1.200 30.976 29.700 0.126 0.000 0.762 532 E HN 0.014 8.209 8.360 -0.274 0.000 0.460 533 K N -3.137 117.190 120.400 -0.122 0.000 2.610 533 K HA 0.205 nan 4.320 nan 0.000 0.278 533 K C -2.598 173.895 176.600 -0.178 0.000 0.964 533 K CA -0.239 55.972 56.287 -0.126 0.000 0.859 533 K CB 2.104 34.478 32.500 -0.209 0.000 1.434 533 K HN -0.663 7.448 8.250 -0.231 0.000 0.410 534 S N 3.761 119.393 115.700 -0.113 0.000 2.750 534 S HA 0.518 nan 4.470 nan 0.000 0.276 534 S C -0.898 173.672 174.600 -0.051 0.000 1.165 534 S CA -0.602 57.541 58.200 -0.096 0.000 1.047 534 S CB 1.851 65.005 63.200 -0.076 0.000 1.056 534 S HN 0.323 8.591 8.310 -0.071 0.000 0.481 535 D N 5.902 126.268 120.400 -0.056 0.000 2.399 535 D HA 0.215 nan 4.640 nan 0.000 0.288 535 D C 0.830 177.094 176.300 -0.060 0.000 1.197 535 D CA -0.379 53.598 54.000 -0.039 0.000 1.081 535 D CB 0.518 41.295 40.800 -0.039 0.000 1.139 535 D HN 0.159 8.488 8.370 -0.069 0.000 0.554 536 L N -1.196 119.964 121.223 -0.105 0.000 2.005 536 L HA -0.096 nan 4.340 nan 0.000 0.207 536 L C 0.740 177.550 176.870 -0.101 0.000 1.072 536 L CA 3.490 58.231 54.840 -0.165 0.000 0.744 536 L CB 0.355 42.246 42.059 -0.281 0.000 0.895 536 L HN 0.265 8.435 8.230 -0.101 0.000 0.433 537 N N -5.987 112.658 118.700 -0.092 0.000 2.517 537 N HA 0.165 nan 4.740 nan 0.000 0.285 537 N C -2.301 173.194 175.510 -0.026 0.000 1.528 537 N CA -0.206 52.828 53.050 -0.027 0.000 0.892 537 N CB 1.750 40.228 38.487 -0.014 0.000 1.356 537 N HN 0.226 8.529 8.380 -0.128 0.000 0.495 538 S N -2.242 113.430 115.700 -0.047 0.000 2.537 538 S HA 0.535 nan 4.470 nan 0.000 0.271 538 S C -2.399 172.188 174.600 -0.023 0.000 1.148 538 S CA -0.182 58.005 58.200 -0.022 0.000 0.868 538 S CB 3.072 66.300 63.200 0.047 0.000 1.115 538 S HN -0.792 7.490 8.310 -0.048 0.000 0.461 539 I N 1.010 121.566 120.570 -0.024 0.000 2.582 539 I HA 0.800 nan 4.170 nan 0.000 0.292 539 I C -3.193 172.814 176.117 -0.183 0.000 1.066 539 I CA -1.698 59.523 61.300 -0.133 0.000 1.053 539 I CB 3.448 41.375 38.000 -0.121 0.000 1.241 539 I HN 0.745 8.970 8.210 0.025 0.000 0.421 540 L N 7.518 128.525 121.223 -0.360 0.000 2.334 540 L HA 0.903 nan 4.340 nan 0.000 0.276 540 L C -2.451 174.108 176.870 -0.519 0.000 1.014 540 L CA -1.601 53.069 54.840 -0.282 0.000 0.815 540 L CB 4.190 46.110 42.059 -0.231 0.000 1.268 540 L HN 0.705 8.704 8.230 -0.384 0.000 0.428 541 F N 4.052 124.097 119.950 0.158 0.000 2.536 541 F HA 0.333 nan 4.527 nan 0.000 0.322 541 F C -1.480 174.425 175.800 0.176 0.000 1.144 541 F CA -1.436 56.657 58.000 0.156 0.000 0.924 541 F CB 2.827 41.913 39.000 0.142 0.000 1.181 541 F HN 0.800 9.199 8.300 0.333 0.101 0.438 542 L N 3.153 124.550 121.223 0.291 0.000 2.313 542 L HA 0.285 nan 4.340 nan 0.000 0.282 542 L C -0.456 176.552 176.870 0.230 0.000 1.092 542 L CA -0.458 54.552 54.840 0.284 0.000 0.831 542 L CB 0.294 42.546 42.059 0.322 0.000 1.159 542 L HN 0.257 8.641 8.230 0.258 0.000 0.442 543 M N 4.143 123.874 119.600 0.218 0.000 2.423 543 M HA 0.315 nan 4.480 nan 0.000 0.335 543 M C -0.655 175.719 176.300 0.123 0.000 1.177 543 M CA -1.604 53.775 55.300 0.132 0.000 1.038 543 M CB 1.647 34.317 32.600 0.117 0.000 1.641 543 M HN -0.252 8.193 8.290 0.258 0.000 0.455 544 T N -3.701 110.853 114.554 -0.000 0.000 2.769 544 T HA 0.595 nan 4.350 nan 0.000 0.306 544 T C -2.355 172.164 174.700 -0.302 0.000 1.400 544 T CA -1.566 60.432 62.100 -0.169 0.000 1.007 544 T CB 1.298 70.108 68.868 -0.097 0.000 1.392 544 T HN -0.298 8.079 8.240 -0.027 -0.153 0.500 545 P HA -0.149 nan 4.420 nan 0.000 0.231 545 P C -1.083 176.083 177.300 -0.224 0.000 1.154 545 P CA 1.557 64.419 63.100 -0.398 0.000 0.762 545 P CB -0.662 30.720 31.700 -0.530 0.000 0.790 546 A N -2.630 120.084 122.820 -0.176 0.000 2.067 546 A HA -0.169 nan 4.320 nan 0.000 0.219 546 A C 0.699 178.230 177.584 -0.087 0.000 1.158 546 A CA 0.662 52.633 52.037 -0.109 0.000 0.661 546 A CB 0.273 19.229 19.000 -0.074 0.000 0.801 546 A HN -0.654 7.288 8.150 -0.186 0.096 0.452 547 E N -1.492 118.650 120.200 -0.097 0.000 2.384 547 E HA -0.033 nan 4.350 nan 0.000 0.266 547 E C -0.638 175.913 176.600 -0.082 0.000 1.012 547 E CA -0.028 56.318 56.400 -0.089 0.000 0.901 547 E CB 0.362 30.001 29.700 -0.102 0.000 0.967 547 E HN -0.489 7.751 8.360 -0.117 0.050 0.435 548 T N -1.271 113.239 114.554 -0.073 0.000 2.900 548 T HA 0.468 nan 4.350 nan 0.000 0.295 548 T C -0.925 173.739 174.700 -0.059 0.000 1.044 548 T CA -3.309 58.756 62.100 -0.059 0.000 0.995 548 T CB 1.060 69.900 68.868 -0.047 0.000 1.072 548 T HN -0.297 7.898 8.240 -0.076 0.000 0.473 549 P HA -0.298 nan 4.420 nan 0.000 0.218 549 P C 0.951 178.226 177.300 -0.040 0.000 1.154 549 P CA 2.955 66.031 63.100 -0.040 0.000 0.872 549 P CB -0.092 31.593 31.700 -0.025 0.000 0.790 550 A N -3.992 118.808 122.820 -0.035 0.000 1.908 550 A HA -0.192 nan 4.320 nan 0.000 0.218 550 A C 2.150 179.711 177.584 -0.039 0.000 1.181 550 A CA 3.092 55.111 52.037 -0.029 0.000 0.627 550 A CB -0.710 18.276 19.000 -0.023 0.000 0.818 550 A HN 0.268 8.386 8.150 -0.033 0.012 0.445 551 K N -2.121 118.248 120.400 -0.051 0.000 2.097 551 K HA -0.267 nan 4.320 nan 0.000 0.205 551 K C 2.264 178.800 176.600 -0.106 0.000 1.050 551 K CA 2.869 59.116 56.287 -0.066 0.000 0.938 551 K CB -0.074 32.386 32.500 -0.067 0.000 0.718 551 K HN -0.828 7.300 8.250 -0.051 0.092 0.442 552 M N -0.876 118.652 119.600 -0.121 0.000 2.099 552 M HA -0.290 nan 4.480 nan 0.000 0.262 552 M C 2.296 178.526 176.300 -0.116 0.000 1.067 552 M CA 1.958 57.153 55.300 -0.176 0.000 1.124 552 M CB -0.940 31.564 32.600 -0.160 0.000 1.353 552 M HN -0.352 7.775 8.290 -0.097 0.105 0.410 553 N N -0.616 118.048 118.700 -0.060 0.000 2.520 553 N HA -0.294 nan 4.740 nan 0.000 0.185 553 N C 2.127 177.623 175.510 -0.024 0.000 1.068 553 N CA 3.148 56.181 53.050 -0.028 0.000 0.911 553 N CB -0.484 37.997 38.487 -0.010 0.000 0.961 553 N HN 0.472 8.710 8.380 -0.055 0.109 0.446 554 N N 0.709 119.385 118.700 -0.040 0.000 2.250 554 N HA -0.134 nan 4.740 nan 0.000 0.181 554 N C 1.999 177.491 175.510 -0.030 0.000 1.017 554 N CA 2.712 55.747 53.050 -0.024 0.000 0.866 554 N CB 0.017 38.488 38.487 -0.027 0.000 0.985 554 N HN -0.348 7.805 8.380 -0.057 0.194 0.429 555 L N 0.930 122.104 121.223 -0.082 0.000 2.072 555 L HA -0.165 nan 4.340 nan 0.000 0.205 555 L C 1.478 178.312 176.870 -0.060 0.000 1.079 555 L CA 2.844 57.614 54.840 -0.116 0.000 0.752 555 L CB 0.004 41.880 42.059 -0.305 0.000 0.906 555 L HN -0.508 7.558 8.230 -0.112 0.098 0.436 556 I N -2.336 118.211 120.570 -0.039 0.000 2.361 556 I HA -0.594 nan 4.170 nan 0.000 0.251 556 I C 1.484 177.629 176.117 0.047 0.000 1.133 556 I CA 4.220 65.534 61.300 0.023 0.000 1.413 556 I CB -0.750 37.272 38.000 0.037 0.000 1.073 556 I HN -0.162 8.010 8.210 -0.064 0.000 0.424 557 T N 2.639 117.215 114.554 0.037 0.000 2.684 557 T HA -0.372 nan 4.350 nan 0.000 0.267 557 T C 2.370 177.117 174.700 0.078 0.000 1.036 557 T CA 4.873 67.005 62.100 0.052 0.000 1.148 557 T CB -0.713 68.181 68.868 0.044 0.000 0.863 557 T HN -0.487 7.764 8.240 0.018 0.000 0.436 558 Q N 0.554 120.404 119.800 0.083 0.000 2.167 558 Q HA -0.192 nan 4.340 nan 0.000 0.202 558 Q C 2.524 178.623 176.000 0.164 0.000 0.970 558 Q CA 2.327 58.218 55.803 0.146 0.000 0.855 558 Q CB -0.902 27.904 28.738 0.115 0.000 0.911 558 Q HN -0.552 7.752 8.270 0.057 0.000 0.438 559 L N -0.526 120.761 121.223 0.107 0.000 2.093 559 L HA -0.283 nan 4.340 nan 0.000 0.208 559 L C 2.449 179.443 176.870 0.207 0.000 1.085 559 L CA 2.864 57.779 54.840 0.125 0.000 0.755 559 L CB -0.144 42.000 42.059 0.143 0.000 0.904 559 L HN -0.043 8.142 8.230 0.078 0.092 0.435 560 L N -2.309 118.998 121.223 0.141 0.000 2.131 560 L HA -0.368 nan 4.340 nan 0.000 0.206 560 L C 2.098 179.014 176.870 0.076 0.000 1.087 560 L CA 2.827 57.733 54.840 0.110 0.000 0.767 560 L CB -0.462 41.643 42.059 0.076 0.000 0.917 560 L HN 0.166 8.465 8.230 0.115 0.000 0.441 561 Q N 0.100 119.944 119.800 0.074 0.000 2.079 561 Q HA -0.282 nan 4.340 nan 0.000 0.200 561 Q C 2.547 178.517 176.000 -0.050 0.000 0.974 561 Q CA 3.368 59.205 55.803 0.056 0.000 0.840 561 Q CB -0.144 28.667 28.738 0.121 0.000 0.898 561 Q HN -0.158 8.168 8.270 0.093 0.000 0.430 562 L N -1.793 119.322 121.223 -0.181 0.000 2.201 562 L HA -0.238 nan 4.340 nan 0.000 0.212 562 L C 1.312 178.112 176.870 -0.118 0.000 1.105 562 L CA 2.595 57.130 54.840 -0.508 0.000 0.775 562 L CB -0.127 41.463 42.059 -0.780 0.000 0.913 562 L HN -0.223 7.972 8.230 -0.057 0.000 0.440 563 Q N -0.938 118.898 119.800 0.060 0.000 2.033 563 Q HA -0.367 nan 4.340 nan 0.000 0.196 563 Q C 1.849 177.849 176.000 0.000 0.000 0.970 563 Q CA 3.214 59.050 55.803 0.056 0.000 0.828 563 Q CB -0.149 28.603 28.738 0.024 0.000 0.895 563 Q HN -0.669 7.537 8.270 0.096 0.122 0.440 564 R N -0.027 120.473 120.500 0.001 0.000 2.140 564 R HA -0.358 nan 4.340 nan 0.000 0.250 564 R C 2.608 178.904 176.300 -0.007 0.000 1.150 564 R CA 3.263 59.362 56.100 -0.002 0.000 0.966 564 R CB -0.360 29.947 30.300 0.010 0.000 0.869 564 R HN -0.190 8.089 8.270 0.015 0.000 0.445 565 L N -3.260 117.952 121.223 -0.019 0.000 2.156 565 L HA -0.211 nan 4.340 nan 0.000 0.208 565 L C 1.854 178.724 176.870 -0.000 0.000 1.095 565 L CA 2.433 57.265 54.840 -0.013 0.000 0.770 565 L CB 0.111 42.147 42.059 -0.038 0.000 0.914 565 L HN -0.644 7.553 8.230 -0.037 0.011 0.439 566 I N -1.516 119.057 120.570 0.005 0.000 2.406 566 I HA -0.431 nan 4.170 nan 0.000 0.249 566 I C 2.352 178.483 176.117 0.023 0.000 1.122 566 I CA 3.383 64.713 61.300 0.049 0.000 1.431 566 I CB -0.205 37.858 38.000 0.105 0.000 1.087 566 I HN -0.182 7.912 8.210 -0.007 0.112 0.424 567 E N 0.011 120.207 120.200 -0.007 0.000 2.274 567 E HA -0.219 nan 4.350 nan 0.000 0.194 567 E C 1.792 178.369 176.600 -0.039 0.000 0.996 567 E CA 2.546 58.922 56.400 -0.041 0.000 0.840 567 E CB -0.595 29.077 29.700 -0.047 0.000 0.772 567 E HN -0.033 8.323 8.360 -0.006 0.000 0.491 568 E N -1.648 118.542 120.200 -0.018 0.000 2.437 568 E HA 0.099 nan 4.350 nan 0.000 0.189 568 E C -0.648 175.949 176.600 -0.004 0.000 1.054 568 E CA -1.088 55.304 56.400 -0.012 0.000 0.874 568 E CB -0.461 29.237 29.700 -0.003 0.000 1.011 568 E HN -0.656 7.585 8.360 -0.010 0.114 0.474 569 D N -1.631 118.768 120.400 -0.001 0.000 2.702 569 D HA -0.441 nan 4.640 nan 0.000 0.233 569 D C -0.373 175.946 176.300 0.032 0.000 1.164 569 D CA 0.797 54.808 54.000 0.018 0.000 0.638 569 D CB -1.210 39.592 40.800 0.002 0.000 1.041 569 D HN -0.435 7.736 8.370 -0.008 0.194 0.422 570 A N -1.726 121.114 122.820 0.034 0.000 2.482 570 A HA -0.023 nan 4.320 nan 0.000 0.249 570 A C -2.402 175.211 177.584 0.048 0.000 1.114 570 A CA -0.201 51.858 52.037 0.037 0.000 0.797 570 A CB 0.048 19.072 19.000 0.040 0.000 1.067 570 A HN -0.437 7.720 8.150 0.031 0.012 0.514 571 P HA 0.178 nan 4.420 nan 0.000 0.285 571 P C -0.195 177.125 177.300 0.032 0.000 1.259 571 P CA -0.771 62.345 63.100 0.026 0.000 0.794 571 P CB 0.363 32.047 31.700 -0.027 0.000 0.940 572 L N 2.647 123.924 121.223 0.090 0.000 2.263 572 L HA -0.381 nan 4.340 nan 0.000 0.216 572 L C 1.202 178.105 176.870 0.056 0.000 1.111 572 L CA 2.987 57.909 54.840 0.137 0.000 0.773 572 L CB -0.155 42.070 42.059 0.276 0.000 0.906 572 L HN 0.621 8.816 8.230 0.138 0.118 0.439 573 K N -2.663 117.600 120.400 -0.228 0.000 2.025 573 K HA -0.344 nan 4.320 nan 0.000 0.207 573 K C 1.566 178.120 176.600 -0.077 0.000 1.049 573 K CA 2.977 59.013 56.287 -0.419 0.000 0.933 573 K CB -0.611 31.477 32.500 -0.687 0.000 0.714 573 K HN 0.022 8.070 8.250 -0.260 0.047 0.438 574 Q N -1.192 118.588 119.800 -0.033 0.000 2.049 574 Q HA -0.187 nan 4.340 nan 0.000 0.198 574 Q C 1.450 177.532 176.000 0.137 0.000 0.971 574 Q CA 2.447 58.280 55.803 0.050 0.000 0.833 574 Q CB 0.490 29.254 28.738 0.042 0.000 0.896 574 Q HN -0.540 7.597 8.270 -0.067 0.092 0.434 575 V N -2.720 117.284 119.914 0.150 0.000 2.427 575 V HA -0.135 nan 4.120 nan 0.000 0.248 575 V C 0.922 177.201 176.094 0.309 0.000 1.051 575 V CA 2.590 65.033 62.300 0.238 0.000 1.048 575 V CB 0.266 32.180 31.823 0.153 0.000 0.666 575 V HN -0.546 7.706 8.190 0.105 0.000 0.456 576 L N -2.822 118.536 121.223 0.225 0.000 2.678 576 L HA 0.563 nan 4.340 nan 0.000 0.250 576 L C -1.454 175.527 176.870 0.185 0.000 1.455 576 L CA -2.534 52.437 54.840 0.219 0.000 0.823 576 L CB 0.314 42.506 42.059 0.221 0.000 1.107 576 L HN -0.570 7.769 8.230 0.181 0.000 0.514 577 P HA -0.417 nan 4.420 nan 0.000 0.219 577 P C 1.570 178.958 177.300 0.147 0.000 1.159 577 P CA 3.310 66.486 63.100 0.127 0.000 0.944 577 P CB -0.023 31.721 31.700 0.073 0.000 0.792 578 S N -1.825 113.932 115.700 0.094 0.000 2.353 578 S HA -0.312 nan 4.470 nan 0.000 0.222 578 S C 2.375 177.021 174.600 0.076 0.000 1.035 578 S CA 3.169 61.409 58.200 0.068 0.000 1.025 578 S CB -0.317 62.897 63.200 0.022 0.000 0.902 578 S HN -0.401 7.954 8.310 0.074 0.000 0.440 579 I N 1.288 121.898 120.570 0.066 0.000 2.163 579 I HA -0.460 nan 4.170 nan 0.000 0.243 579 I C 1.518 177.737 176.117 0.170 0.000 1.085 579 I CA 2.511 63.837 61.300 0.042 0.000 1.347 579 I CB -1.014 36.956 38.000 -0.050 0.000 1.044 579 I HN -0.649 7.600 8.210 0.066 0.000 0.408 580 Y N 0.600 120.975 120.300 0.125 0.000 2.145 580 Y HA -0.540 nan 4.550 nan 0.000 0.286 580 Y C 0.848 176.820 175.900 0.120 0.000 1.145 580 Y CA 3.637 61.837 58.100 0.168 0.000 1.148 580 Y CB -0.053 38.493 38.460 0.143 0.000 0.981 580 Y HN -0.467 8.008 8.280 0.324 0.000 0.507 581 A N -2.294 120.670 122.820 0.240 0.000 1.852 581 A HA -0.393 nan 4.320 nan 0.000 0.217 581 A C 2.086 179.692 177.584 0.037 0.000 1.215 581 A CA 2.434 54.555 52.037 0.140 0.000 0.641 581 A CB -0.256 18.808 19.000 0.106 0.000 0.838 581 A HN -0.073 8.167 8.150 0.269 0.071 0.450 582 A N -1.248 121.586 122.820 0.023 0.000 1.858 582 A HA -0.226 nan 4.320 nan 0.000 0.216 582 A C 1.668 179.221 177.584 -0.051 0.000 1.190 582 A CA 2.502 54.532 52.037 -0.012 0.000 0.617 582 A CB -0.011 18.981 19.000 -0.013 0.000 0.827 582 A HN -0.152 8.025 8.150 0.045 0.000 0.443 583 N N -3.132 115.539 118.700 -0.049 0.000 2.466 583 N HA 0.109 nan 4.740 nan 0.000 0.251 583 N C -0.130 175.216 175.510 -0.272 0.000 1.164 583 N CA -0.465 52.504 53.050 -0.135 0.000 0.888 583 N CB -0.649 37.795 38.487 -0.072 0.000 1.177 583 N HN -0.145 8.242 8.380 0.011 0.000 0.498 584 E N 0.550 120.574 120.200 -0.293 0.000 2.114 584 E HA -0.439 nan 4.350 nan 0.000 0.199 584 E C 0.702 177.089 176.600 -0.356 0.000 1.008 584 E CA 2.866 58.979 56.400 -0.479 0.000 0.810 584 E CB -0.521 29.052 29.700 -0.212 0.000 0.739 584 E HN -0.590 7.555 8.360 -0.181 0.106 0.456 585 E N -1.820 118.246 120.200 -0.223 0.000 2.005 585 E HA -0.250 nan 4.350 nan 0.000 0.198 585 E C 2.257 178.749 176.600 -0.180 0.000 1.010 585 E CA 2.766 59.071 56.400 -0.157 0.000 0.825 585 E CB -0.106 29.515 29.700 -0.132 0.000 0.769 585 E HN 0.415 8.651 8.360 -0.195 0.007 0.456 586 R N -0.272 120.042 120.500 -0.310 0.000 2.103 586 R HA -0.237 nan 4.340 nan 0.000 0.242 586 R C 1.619 177.694 176.300 -0.375 0.000 1.142 586 R CA 2.417 58.258 56.100 -0.433 0.000 0.960 586 R CB -0.271 29.580 30.300 -0.748 0.000 0.858 586 R HN -0.099 7.974 8.270 -0.328 0.000 0.439 587 Y N -5.630 114.569 120.300 -0.168 0.000 2.645 587 Y HA 0.124 nan 4.550 nan 0.000 0.307 587 Y C -1.308 174.770 175.900 0.297 0.000 1.151 587 Y CA -1.905 56.062 58.100 -0.220 0.000 1.291 587 Y CB -1.735 36.535 38.460 -0.317 0.000 1.135 587 Y HN -0.315 7.668 8.280 -0.495 0.000 0.523 588 N N 1.196 120.097 118.700 0.335 0.000 2.411 588 N HA -0.288 nan 4.740 nan 0.000 0.261 588 N C 1.100 176.908 175.510 0.497 0.000 1.248 588 N CA 2.101 55.384 53.050 0.388 0.000 0.885 588 N CB -0.230 38.372 38.487 0.192 0.000 1.062 588 N HN -0.875 7.531 8.380 0.185 0.085 0.471 589 G N 4.289 113.401 108.800 0.521 0.000 2.203 589 G HA2 -0.443 nan 3.960 nan 0.000 0.263 589 G HA3 -0.443 nan 3.960 nan 0.000 0.263 589 G C -0.633 174.425 174.900 0.263 0.000 1.012 589 G CA 0.760 46.035 45.100 0.291 0.000 0.749 589 G HN 0.443 9.167 8.290 0.723 0.000 0.512 590 Y N -0.375 120.098 120.300 0.287 0.000 2.326 590 Y HA -0.065 nan 4.550 nan 0.000 0.333 590 Y C -0.280 175.709 175.900 0.148 0.000 1.240 590 Y CA 0.377 58.615 58.100 0.230 0.000 1.365 590 Y CB 1.635 40.282 38.460 0.312 0.000 1.289 590 Y HN -0.723 8.013 8.280 0.827 0.041 0.548 591 T N -2.565 112.154 114.554 0.276 0.000 2.940 591 T HA 0.473 nan 4.350 nan 0.000 0.288 591 T C 0.836 175.668 174.700 0.221 0.000 1.033 591 T CA -2.700 59.509 62.100 0.182 0.000 1.033 591 T CB 3.010 71.941 68.868 0.105 0.000 1.079 591 T HN -0.330 8.156 8.240 0.239 -0.103 0.496 592 I N -0.000 120.666 120.570 0.161 0.000 2.208 592 I HA -0.432 nan 4.170 nan 0.000 0.245 592 I C 1.416 177.649 176.117 0.193 0.000 1.097 592 I CA 2.956 64.346 61.300 0.151 0.000 1.363 592 I CB -1.080 36.988 38.000 0.114 0.000 1.051 592 I HN 0.050 8.337 8.210 0.128 0.000 0.413 593 R N -1.014 119.613 120.500 0.211 0.000 2.127 593 R HA -0.409 nan 4.340 nan 0.000 0.238 593 R C 2.604 179.076 176.300 0.288 0.000 1.134 593 R CA 3.731 60.010 56.100 0.299 0.000 0.975 593 R CB -0.834 29.552 30.300 0.143 0.000 0.865 593 R HN -0.202 8.395 8.270 0.162 -0.230 0.447 594 E N 0.381 120.723 120.200 0.237 0.000 2.031 594 E HA -0.325 nan 4.350 nan 0.000 0.193 594 E C 2.396 179.204 176.600 0.347 0.000 0.994 594 E CA 2.997 59.544 56.400 0.245 0.000 0.800 594 E CB -0.281 29.535 29.700 0.192 0.000 0.752 594 E HN -0.710 7.632 8.360 0.220 0.149 0.447 595 L N -0.437 121.002 121.223 0.359 0.000 1.994 595 L HA -0.302 nan 4.340 nan 0.000 0.208 595 L C 1.929 178.802 176.870 0.006 0.000 1.071 595 L CA 2.873 57.801 54.840 0.147 0.000 0.745 595 L CB -0.840 41.161 42.059 -0.095 0.000 0.892 595 L HN -0.525 7.929 8.230 0.373 0.000 0.431 596 C N -0.889 118.416 119.300 0.008 0.000 2.376 596 C HA -0.525 nan 4.460 nan 0.000 0.275 596 C C 2.309 177.251 174.990 -0.080 0.000 1.200 596 C CA 4.730 63.671 59.018 -0.129 0.000 1.756 596 C CB -2.146 25.484 27.740 -0.184 0.000 2.050 596 C HN 0.599 8.769 8.230 0.076 0.106 0.460 597 Q N -1.418 118.464 119.800 0.137 0.000 2.061 597 Q HA -0.381 nan 4.340 nan 0.000 0.204 597 Q C 2.472 178.590 176.000 0.197 0.000 0.984 597 Q CA 3.028 58.971 55.803 0.233 0.000 0.846 597 Q CB -0.746 28.182 28.738 0.317 0.000 0.902 597 Q HN 0.050 8.367 8.270 0.260 0.109 0.421 598 E N 0.488 120.802 120.200 0.189 0.000 2.012 598 E HA -0.333 nan 4.350 nan 0.000 0.197 598 E C 2.517 179.194 176.600 0.129 0.000 1.007 598 E CA 3.034 59.574 56.400 0.233 0.000 0.816 598 E CB -0.135 29.800 29.700 0.391 0.000 0.762 598 E HN -0.428 7.995 8.360 0.208 0.061 0.451 599 L N -1.199 119.914 121.223 -0.184 0.000 2.013 599 L HA -0.493 nan 4.340 nan 0.000 0.212 599 L C 1.729 178.570 176.870 -0.049 0.000 1.073 599 L CA 3.345 57.881 54.840 -0.507 0.000 0.753 599 L CB -0.187 41.504 42.059 -0.613 0.000 0.890 599 L HN 0.252 8.372 8.230 -0.184 0.000 0.432 600 H N -0.771 118.263 119.070 -0.061 0.000 2.319 600 H HA -0.506 nan 4.556 nan 0.000 0.297 600 H C 2.344 177.711 175.328 0.066 0.000 1.097 600 H CA 4.060 60.124 56.048 0.027 0.000 1.285 600 H CB 0.222 29.947 29.762 -0.062 0.000 1.368 600 H HN 0.137 8.452 8.280 0.061 0.001 0.495 601 D N -1.069 119.296 120.400 -0.059 0.000 2.144 601 D HA -0.317 nan 4.640 nan 0.000 0.199 601 D C 2.132 178.385 176.300 -0.080 0.000 0.984 601 D CA 3.103 57.032 54.000 -0.119 0.000 0.834 601 D CB -0.671 40.144 40.800 0.024 0.000 0.955 601 D HN 0.013 8.439 8.370 0.093 0.000 0.465 602 F N 2.046 121.878 119.950 -0.197 0.000 2.063 602 F HA -0.476 nan 4.527 nan 0.000 0.298 602 F C 1.769 177.339 175.800 -0.382 0.000 1.109 602 F CA 3.648 61.475 58.000 -0.289 0.000 1.212 602 F CB -0.136 38.623 39.000 -0.401 0.000 0.973 602 F HN -0.484 7.787 8.300 0.127 0.105 0.480 603 Y N -4.488 115.667 120.300 -0.242 0.000 2.395 603 Y HA -0.302 nan 4.550 nan 0.000 0.293 603 Y C 1.851 177.451 175.900 -0.499 0.000 1.123 603 Y CA 2.824 60.708 58.100 -0.359 0.000 1.227 603 Y CB -0.551 37.863 38.460 -0.077 0.000 1.012 603 Y HN -0.732 7.378 8.280 -0.284 0.000 0.552 604 K N 0.703 120.787 120.400 -0.527 0.000 1.984 604 K HA -0.377 nan 4.320 nan 0.000 0.209 604 K C 2.779 179.036 176.600 -0.572 0.000 1.046 604 K CA 3.355 59.070 56.287 -0.953 0.000 0.934 604 K CB -0.309 31.752 32.500 -0.733 0.000 0.717 604 K HN -0.458 7.456 8.250 -0.367 0.116 0.438 605 N N -2.337 116.160 118.700 -0.339 0.000 2.289 605 N HA -0.264 nan 4.740 nan 0.000 0.184 605 N C 0.896 176.290 175.510 -0.194 0.000 1.016 605 N CA 2.618 55.546 53.050 -0.203 0.000 0.872 605 N CB -0.204 38.222 38.487 -0.102 0.000 0.973 605 N HN 0.384 8.466 8.380 -0.307 0.114 0.433 606 N N -2.189 116.351 118.700 -0.267 0.000 2.370 606 N HA 0.036 nan 4.740 nan 0.000 0.198 606 N C -1.071 174.395 175.510 -0.073 0.000 1.156 606 N CA -0.067 52.854 53.050 -0.215 0.000 0.839 606 N CB 0.517 38.742 38.487 -0.437 0.000 0.989 606 N HN -0.649 7.460 8.380 -0.344 0.065 0.468 607 N N -1.513 117.091 118.700 -0.159 0.000 2.701 607 N HA -0.347 nan 4.740 nan 0.000 0.250 607 N C 0.714 176.226 175.510 0.004 0.000 1.046 607 N CA 1.460 54.426 53.050 -0.140 0.000 0.733 607 N CB -0.451 37.986 38.487 -0.084 0.000 0.973 607 N HN -0.215 7.802 8.380 -0.275 0.197 0.541 608 T N 1.287 115.916 114.554 0.126 0.000 2.505 608 T HA -0.456 nan 4.350 nan 0.000 0.259 608 T C 1.389 176.254 174.700 0.275 0.000 1.158 608 T CA 4.561 66.847 62.100 0.311 0.000 1.190 608 T CB -0.293 68.799 68.868 0.374 0.000 0.864 608 T HN 0.259 8.492 8.240 0.019 0.018 0.413 609 F N -1.455 118.610 119.950 0.193 0.000 2.449 609 F HA -0.256 nan 4.527 nan 0.000 0.299 609 F C 1.216 176.969 175.800 -0.078 0.000 1.092 609 F CA 1.820 59.816 58.000 -0.006 0.000 1.446 609 F CB -1.131 37.760 39.000 -0.182 0.000 1.084 609 F HN 0.018 8.679 8.300 0.601 0.000 0.567 610 T N 3.558 117.825 114.554 -0.479 0.000 2.770 610 T HA -0.281 nan 4.350 nan 0.000 0.263 610 T C 1.540 175.964 174.700 -0.461 0.000 1.039 610 T CA 4.926 66.688 62.100 -0.564 0.000 1.142 610 T CB -0.536 67.859 68.868 -0.787 0.000 0.868 610 T HN -0.532 7.354 8.240 -0.491 0.059 0.435 611 Y N 0.534 120.775 120.300 -0.098 0.000 2.224 611 Y HA -0.384 nan 4.550 nan 0.000 0.289 611 Y C 1.899 177.720 175.900 -0.132 0.000 1.146 611 Y CA 3.138 61.194 58.100 -0.074 0.000 1.182 611 Y CB -1.031 37.474 38.460 0.075 0.000 0.983 611 Y HN -0.542 7.542 8.280 -0.327 0.000 0.524 612 Q N -2.685 117.101 119.800 -0.024 0.000 2.170 612 Q HA -0.351 nan 4.340 nan 0.000 0.203 612 Q C 1.680 177.698 176.000 0.030 0.000 0.976 612 Q CA 2.754 58.489 55.803 -0.113 0.000 0.858 612 Q CB -0.461 28.243 28.738 -0.057 0.000 0.907 612 Q HN -0.545 7.749 8.270 0.059 0.012 0.433 613 K N -1.354 119.053 120.400 0.012 0.000 1.973 613 K HA -0.239 nan 4.320 nan 0.000 0.210 613 K C 2.498 179.120 176.600 0.036 0.000 1.045 613 K CA 2.744 59.059 56.287 0.047 0.000 0.937 613 K CB 0.011 32.501 32.500 -0.016 0.000 0.721 613 K HN -0.589 7.619 8.250 -0.027 0.025 0.438 614 R N -0.678 119.721 120.500 -0.169 0.000 2.117 614 R HA -0.284 nan 4.340 nan 0.000 0.243 614 R C 3.242 179.555 176.300 0.023 0.000 1.143 614 R CA 2.742 58.681 56.100 -0.270 0.000 0.968 614 R CB -0.543 29.230 30.300 -0.878 0.000 0.863 614 R HN -0.637 7.477 8.270 -0.260 0.000 0.444 615 L N -1.478 119.731 121.223 -0.023 0.000 2.263 615 L HA -0.386 nan 4.340 nan 0.000 0.216 615 L C 0.776 177.405 176.870 -0.402 0.000 1.111 615 L CA 2.757 57.490 54.840 -0.177 0.000 0.773 615 L CB -0.038 41.853 42.059 -0.279 0.000 0.906 615 L HN -0.508 7.673 8.230 -0.046 0.021 0.439 616 F N -6.482 113.589 119.950 0.201 0.000 2.746 616 F HA 0.175 nan 4.527 nan 0.000 0.320 616 F C -0.990 175.138 175.800 0.545 0.000 1.097 616 F CA -1.168 57.020 58.000 0.312 0.000 1.195 616 F CB 1.909 41.015 39.000 0.176 0.000 1.056 616 F HN -0.358 7.944 8.300 0.267 0.158 0.562 617 L N -0.039 121.476 121.223 0.487 0.000 2.265 617 L HA 0.137 nan 4.340 nan 0.000 0.288 617 L C -0.035 176.773 176.870 -0.104 0.000 1.058 617 L CA -1.053 53.938 54.840 0.250 0.000 0.809 617 L CB 1.235 43.408 42.059 0.190 0.000 1.179 617 L HN -0.010 8.285 8.230 0.368 0.156 0.429 618 R N 6.817 126.953 120.500 -0.607 0.000 2.139 618 R HA -0.399 nan 4.340 nan 0.000 0.243 618 R C 0.905 176.757 176.300 -0.747 0.000 1.145 618 R CA 3.289 58.545 56.100 -1.406 0.000 0.976 618 R CB 0.116 29.935 30.300 -0.802 0.000 0.866 618 R HN 0.080 8.430 8.270 -0.306 -0.263 0.449 619 E N -1.858 118.139 120.200 -0.339 0.000 2.382 619 E HA -0.115 nan 4.350 nan 0.000 0.190 619 E C 0.080 176.401 176.600 -0.465 0.000 1.125 619 E CA 1.289 57.496 56.400 -0.322 0.000 0.929 619 E CB -1.106 28.450 29.700 -0.241 0.000 1.053 619 E HN 0.241 8.443 8.360 -0.230 0.020 0.475 620 F N -3.046 116.798 119.950 -0.178 0.000 2.769 620 F HA 0.067 nan 4.527 nan 0.000 0.341 620 F C -1.695 174.171 175.800 0.110 0.000 1.279 620 F CA -0.359 57.630 58.000 -0.020 0.000 1.037 620 F CB 1.885 40.897 39.000 0.019 0.000 1.333 620 F HN -0.417 7.659 8.300 -0.168 0.123 0.505 621 F N 0.896 120.867 119.950 0.034 0.000 2.406 621 F HA 0.158 nan 4.527 nan 0.000 0.327 621 F C -1.069 174.689 175.800 -0.070 0.000 1.153 621 F CA -3.696 54.268 58.000 -0.060 0.000 1.218 621 F CB -1.061 37.879 39.000 -0.102 0.000 1.215 621 F HN -0.892 7.395 8.300 -0.022 0.000 0.570 622 P HA 0.095 nan 4.420 nan 0.000 0.288 622 P C -1.685 175.621 177.300 0.012 0.000 1.291 622 P CA -0.539 62.555 63.100 -0.010 0.000 0.766 622 P CB 0.952 32.569 31.700 -0.137 0.000 1.242 623 E N -0.095 120.101 120.200 -0.006 0.000 2.129 623 E HA 0.178 nan 4.350 nan 0.000 0.268 623 E C -1.181 175.419 176.600 -0.001 0.000 0.900 623 E CA -1.739 54.667 56.400 0.010 0.000 0.755 623 E CB 1.514 31.223 29.700 0.015 0.000 1.117 623 E HN -0.113 8.235 8.360 -0.020 0.000 0.410 624 Q N 8.366 128.175 119.800 0.014 0.000 2.257 624 Q HA -0.189 nan 4.340 nan 0.000 0.273 624 Q C -0.575 175.431 176.000 0.011 0.000 1.153 624 Q CA 0.936 56.747 55.803 0.012 0.000 0.922 624 Q CB -0.168 28.597 28.738 0.045 0.000 1.242 624 Q HN 0.834 9.124 8.270 0.034 0.000 0.409 625 G N 6.116 114.917 108.800 0.001 0.000 2.510 625 G HA2 0.036 nan 3.960 nan 0.000 0.212 625 G HA3 0.036 nan 3.960 nan 0.000 0.212 625 G C -1.042 173.853 174.900 -0.010 0.000 1.151 625 G CA 0.182 45.287 45.100 0.009 0.000 0.817 625 G HN 0.215 8.498 8.290 -0.012 0.000 0.534 626 M N -1.070 118.516 119.600 -0.024 0.000 2.457 626 M HA 0.211 nan 4.480 nan 0.000 0.300 626 M C -1.716 174.574 176.300 -0.016 0.000 1.141 626 M CA -0.931 54.345 55.300 -0.041 0.000 0.901 626 M CB 3.294 35.841 32.600 -0.088 0.000 1.687 626 M HN -0.352 7.818 8.290 -0.023 0.107 0.449 627 L N 5.455 126.679 121.223 0.000 0.000 2.426 627 L HA 0.294 nan 4.340 nan 0.000 0.271 627 L C -0.101 176.789 176.870 0.033 0.000 1.169 627 L CA -2.135 52.720 54.840 0.024 0.000 0.836 627 L CB -0.129 41.950 42.059 0.034 0.000 1.112 627 L HN 0.253 8.637 8.230 -0.004 -0.157 0.465 628 P HA -0.348 nan 4.420 nan 0.000 0.216 628 P C 1.157 178.489 177.300 0.053 0.000 1.157 628 P CA 2.886 66.004 63.100 0.031 0.000 0.880 628 P CB -0.167 31.553 31.700 0.033 0.000 0.791 629 Y N -1.106 119.182 120.300 -0.020 0.000 2.165 629 Y HA -0.499 nan 4.550 nan 0.000 0.286 629 Y C 1.375 177.266 175.900 -0.015 0.000 1.155 629 Y CA 3.608 61.703 58.100 -0.009 0.000 1.164 629 Y CB -0.295 38.160 38.460 -0.007 0.000 0.978 629 Y HN 0.266 8.666 8.280 0.202 0.000 0.513 630 E N -1.283 119.036 120.200 0.198 0.000 2.017 630 E HA -0.512 nan 4.350 nan 0.000 0.193 630 E C 2.137 178.716 176.600 -0.035 0.000 0.997 630 E CA 2.824 59.276 56.400 0.087 0.000 0.804 630 E CB -0.459 29.270 29.700 0.049 0.000 0.757 630 E HN -0.652 7.834 8.360 0.222 0.007 0.448 631 A N -1.447 121.345 122.820 -0.047 0.000 1.997 631 A HA -0.335 nan 4.320 nan 0.000 0.221 631 A C 2.069 179.637 177.584 -0.027 0.000 1.172 631 A CA 2.924 54.927 52.037 -0.057 0.000 0.645 631 A CB -0.742 18.221 19.000 -0.062 0.000 0.813 631 A HN 0.093 8.228 8.150 -0.024 0.000 0.454 632 R N -1.578 118.880 120.500 -0.070 0.000 2.082 632 R HA -0.368 nan 4.340 nan 0.000 0.228 632 R C 2.255 178.544 176.300 -0.019 0.000 1.140 632 R CA 3.181 59.246 56.100 -0.059 0.000 0.920 632 R CB -0.303 29.899 30.300 -0.164 0.000 0.828 632 R HN -0.523 7.675 8.270 -0.089 0.018 0.430 633 Q N -1.782 117.932 119.800 -0.143 0.000 2.156 633 Q HA -0.405 nan 4.340 nan 0.000 0.211 633 Q C 2.966 178.902 176.000 -0.107 0.000 0.995 633 Q CA 2.854 58.572 55.803 -0.142 0.000 0.877 633 Q CB -0.929 27.726 28.738 -0.138 0.000 0.920 633 Q HN -0.505 7.622 8.270 -0.238 0.000 0.416 634 E N -1.510 118.668 120.200 -0.037 0.000 2.110 634 E HA -0.264 nan 4.350 nan 0.000 0.193 634 E C 2.101 178.716 176.600 0.026 0.000 0.988 634 E CA 2.411 58.826 56.400 0.025 0.000 0.804 634 E CB -0.597 29.151 29.700 0.080 0.000 0.745 634 E HN -0.236 8.093 8.360 -0.035 0.009 0.458 635 F N 0.803 120.716 119.950 -0.060 0.000 2.075 635 F HA -0.282 nan 4.527 nan 0.000 0.297 635 F C 2.544 178.291 175.800 -0.088 0.000 1.113 635 F CA 3.271 61.246 58.000 -0.041 0.000 1.218 635 F CB 0.084 39.069 39.000 -0.024 0.000 0.984 635 F HN -0.295 8.037 8.300 0.220 0.099 0.472 636 I N -1.580 118.976 120.570 -0.024 0.000 2.264 636 I HA -0.500 nan 4.170 nan 0.000 0.248 636 I C 1.405 177.385 176.117 -0.227 0.000 1.111 636 I CA 3.443 64.667 61.300 -0.127 0.000 1.382 636 I CB -0.379 37.580 38.000 -0.068 0.000 1.060 636 I HN 0.211 8.382 8.210 0.119 0.110 0.418 637 R N -4.261 116.043 120.500 -0.327 0.000 2.275 637 R HA -0.112 nan 4.340 nan 0.000 0.199 637 R C -0.227 175.775 176.300 -0.497 0.000 0.989 637 R CA 0.857 56.666 56.100 -0.484 0.000 1.016 637 R CB 0.304 30.062 30.300 -0.904 0.000 0.918 637 R HN -0.106 7.882 8.270 -0.300 0.102 0.473 638 N N -4.296 114.171 118.700 -0.389 0.000 3.003 638 N HA -0.297 nan 4.740 nan 0.000 0.237 638 N C -0.915 174.580 175.510 -0.025 0.000 0.969 638 N CA 1.040 53.959 53.050 -0.218 0.000 0.941 638 N CB -1.301 37.109 38.487 -0.128 0.000 1.098 638 N HN -0.305 7.671 8.380 -0.380 0.176 0.563 639 H N -0.220 118.875 119.070 0.043 0.000 3.195 639 H HA -0.017 nan 4.556 nan 0.000 0.241 639 H C -1.188 174.208 175.328 0.113 0.000 1.823 639 H CA -0.056 56.052 56.048 0.099 0.000 1.466 639 H CB -2.059 27.843 29.762 0.234 0.000 1.819 639 H HN -0.198 7.861 8.280 -0.284 0.050 0.575 640 N N -0.927 117.850 118.700 0.129 0.000 3.020 640 N HA 0.476 nan 4.740 nan 0.000 0.248 640 N C -1.776 173.756 175.510 0.037 0.000 1.480 640 N CA -0.408 52.707 53.050 0.108 0.000 0.874 640 N CB 3.030 41.617 38.487 0.167 0.000 1.433 640 N HN 0.089 8.476 8.380 0.083 0.043 0.530 641 K N -1.756 118.671 120.400 0.045 0.000 2.597 641 K HA 0.134 nan 4.320 nan 0.000 0.282 641 K C -2.001 174.624 176.600 0.041 0.000 0.975 641 K CA -0.495 55.803 56.287 0.018 0.000 0.867 641 K CB 3.532 36.028 32.500 -0.007 0.000 1.465 641 K HN 0.468 8.765 8.250 0.079 0.000 0.417 642 L N 2.663 123.909 121.223 0.038 0.000 2.384 642 L HA 0.191 nan 4.340 nan 0.000 0.258 642 L C -0.261 176.718 176.870 0.182 0.000 1.266 642 L CA -1.726 53.177 54.840 0.105 0.000 1.162 642 L CB -1.108 40.980 42.059 0.048 0.000 1.375 642 L HN 0.248 8.485 8.230 0.011 0.000 0.420 643 V N 4.712 124.649 119.914 0.037 0.000 2.585 643 V HA 0.013 nan 4.120 nan 0.000 0.296 643 V C -1.566 174.391 176.094 -0.228 0.000 1.035 643 V CA -2.015 60.236 62.300 -0.082 0.000 1.084 643 V CB -0.433 31.295 31.823 -0.158 0.000 0.953 643 V HN -0.544 7.658 8.190 0.019 0.000 0.483 644 P HA 0.160 nan 4.420 nan 0.000 0.272 644 P C 0.076 177.063 177.300 -0.522 0.000 1.230 644 P CA -0.404 62.243 63.100 -0.755 0.000 0.788 644 P CB 0.659 31.943 31.700 -0.693 0.000 0.949 645 L N 1.238 122.155 121.223 -0.510 0.000 1.978 645 L HA -0.453 nan 4.340 nan 0.000 0.218 645 L C 1.641 178.314 176.870 -0.329 0.000 1.075 645 L CA 3.873 58.458 54.840 -0.425 0.000 0.767 645 L CB -0.912 40.989 42.059 -0.264 0.000 0.890 645 L HN 0.402 8.288 8.230 -0.573 0.000 0.434 646 N N -4.001 114.556 118.700 -0.239 0.000 2.137 646 N HA -0.317 nan 4.740 nan 0.000 0.190 646 N C 0.731 176.148 175.510 -0.154 0.000 1.017 646 N CA 2.664 55.617 53.050 -0.161 0.000 0.859 646 N CB -0.565 37.849 38.487 -0.120 0.000 1.002 646 N HN 0.508 8.739 8.380 -0.249 0.000 0.428 647 K N -2.914 117.375 120.400 -0.185 0.000 2.514 647 K HA 0.240 nan 4.320 nan 0.000 0.207 647 K C -0.194 176.301 176.600 -0.174 0.000 1.035 647 K CA -0.736 55.464 56.287 -0.145 0.000 1.113 647 K CB -0.226 32.205 32.500 -0.116 0.000 0.846 647 K HN -0.646 7.466 8.250 -0.230 0.000 0.491 648 I N 0.415 120.826 120.570 -0.265 0.000 3.793 648 I HA -0.058 nan 4.170 nan 0.000 0.315 648 I C -1.655 174.332 176.117 -0.216 0.000 1.275 648 I CA -0.665 60.430 61.300 -0.342 0.000 1.214 648 I CB 0.708 38.294 38.000 -0.691 0.000 1.018 648 I HN -0.261 7.592 8.210 -0.301 0.176 0.439 649 E N 0.245 120.383 120.200 -0.104 0.000 2.465 649 E HA -0.337 nan 4.350 nan 0.000 0.260 649 E C 0.486 177.128 176.600 0.069 0.000 0.980 649 E CA 1.440 57.855 56.400 0.026 0.000 0.927 649 E CB -0.201 29.512 29.700 0.022 0.000 0.934 649 E HN -0.411 7.803 8.360 -0.122 0.073 0.459 650 G N 6.271 115.159 108.800 0.147 0.000 2.160 650 G HA2 -0.552 nan 3.960 nan 0.000 0.251 650 G HA3 -0.552 nan 3.960 nan 0.000 0.251 650 G C -1.020 173.958 174.900 0.130 0.000 1.008 650 G CA 0.242 45.415 45.100 0.122 0.000 0.724 650 G HN 0.652 8.965 8.290 0.219 0.108 0.514 651 E N -1.003 119.309 120.200 0.188 0.000 2.222 651 E HA 0.300 nan 4.350 nan 0.000 0.272 651 E C -1.177 175.596 176.600 0.288 0.000 0.982 651 E CA -2.171 54.337 56.400 0.180 0.000 0.842 651 E CB 2.721 32.476 29.700 0.092 0.000 1.144 651 E HN -0.531 7.938 8.360 0.245 0.038 0.397 652 I N 1.632 122.340 120.570 0.230 0.000 2.379 652 I HA 0.129 nan 4.170 nan 0.000 0.290 652 I C -1.011 175.241 176.117 0.224 0.000 1.063 652 I CA -0.399 61.017 61.300 0.192 0.000 1.351 652 I CB 0.494 38.600 38.000 0.176 0.000 1.410 652 I HN 0.507 8.843 8.210 0.210 0.000 0.505 653 A N 8.055 130.961 122.820 0.143 0.000 2.354 653 A HA 0.445 nan 4.320 nan 0.000 0.269 653 A C -0.515 177.072 177.584 0.005 0.000 1.109 653 A CA -0.687 51.430 52.037 0.134 0.000 0.800 653 A CB 1.005 19.974 19.000 -0.052 0.000 1.045 653 A HN 0.703 8.862 8.150 0.014 0.000 0.489 654 L N 0.789 122.023 121.223 0.018 0.000 2.667 654 L HA 0.117 nan 4.340 nan 0.000 0.232 654 L C -0.899 175.717 176.870 -0.424 0.000 1.138 654 L CA 0.133 54.911 54.840 -0.103 0.000 0.921 654 L CB -0.080 42.070 42.059 0.151 0.000 1.180 654 L HN 0.478 8.770 8.230 0.104 0.000 0.487 655 E N -4.010 115.983 120.200 -0.346 0.000 2.392 655 E HA 0.161 nan 4.350 nan 0.000 0.279 655 E C -1.241 175.071 176.600 -0.480 0.000 0.964 655 E CA -2.085 54.062 56.400 -0.422 0.000 0.777 655 E CB 3.840 33.342 29.700 -0.330 0.000 1.249 655 E HN -0.774 7.384 8.360 -0.216 0.072 0.449 656 G N -1.085 107.244 108.800 -0.785 0.000 2.467 656 G HA2 0.059 nan 3.960 nan 0.000 0.257 656 G HA3 0.059 nan 3.960 nan 0.000 0.257 656 G C -1.225 173.302 174.900 -0.621 0.000 1.227 656 G CA -0.256 44.046 45.100 -1.329 0.000 0.835 656 G HN 0.209 8.089 8.290 -0.683 0.000 0.556 657 A N 2.490 125.034 122.820 -0.459 0.000 2.279 657 A HA 0.253 nan 4.320 nan 0.000 0.306 657 A C -1.530 176.223 177.584 0.282 0.000 1.300 657 A CA -0.774 51.234 52.037 -0.048 0.000 0.925 657 A CB 0.592 19.389 19.000 -0.338 0.000 1.152 657 A HN 0.022 7.786 8.150 -0.643 0.000 0.544 658 L N 3.755 125.193 121.223 0.358 0.000 2.426 658 L HA 0.491 nan 4.340 nan 0.000 0.255 658 L C -2.234 174.763 176.870 0.212 0.000 1.080 658 L CA -3.607 51.405 54.840 0.288 0.000 0.960 658 L CB 1.697 43.937 42.059 0.301 0.000 1.326 658 L HN 0.847 9.172 8.230 0.329 0.103 0.441 659 P HA 0.490 nan 4.420 nan 0.000 0.283 659 P C -2.062 175.153 177.300 -0.141 0.000 1.278 659 P CA -1.162 61.965 63.100 0.045 0.000 0.834 659 P CB 1.776 33.353 31.700 -0.205 0.000 1.150 660 Y N -3.519 116.853 120.300 0.121 0.000 2.331 660 Y HA 0.242 nan 4.550 nan 0.000 0.326 660 Y C -2.158 173.804 175.900 0.103 0.000 1.020 660 Y CA -2.623 55.546 58.100 0.115 0.000 1.136 660 Y CB 1.922 40.441 38.460 0.099 0.000 1.157 660 Y HN -0.454 8.040 8.280 0.357 0.000 0.444 661 P HA 0.380 nan 4.420 nan 0.000 0.277 661 P C -1.747 175.607 177.300 0.090 0.000 1.271 661 P CA -2.137 61.040 63.100 0.129 0.000 0.795 661 P CB 0.401 32.143 31.700 0.070 0.000 1.101 662 P HA 0.072 nan 4.420 nan 0.000 0.267 662 P C -0.075 177.126 177.300 -0.164 0.000 1.289 662 P CA -0.415 62.650 63.100 -0.058 0.000 0.866 662 P CB 0.855 32.502 31.700 -0.089 0.000 1.309 663 G N 0.289 108.801 108.800 -0.480 0.000 2.137 663 G HA2 -0.351 nan 3.960 nan 0.000 0.237 663 G HA3 -0.351 nan 3.960 nan 0.000 0.237 663 G C -1.376 173.319 174.900 -0.341 0.000 1.002 663 G CA 0.593 45.142 45.100 -0.917 0.000 0.702 663 G HN 0.158 8.157 8.290 -0.402 0.049 0.515 664 V N -2.922 116.908 119.914 -0.141 0.000 3.046 664 V HA 0.491 nan 4.120 nan 0.000 0.316 664 V C -0.160 175.967 176.094 0.055 0.000 1.104 664 V CA -2.445 59.825 62.300 -0.050 0.000 1.006 664 V CB 2.889 34.773 31.823 0.102 0.000 1.058 664 V HN -0.699 7.444 8.190 -0.078 0.000 0.440 665 F N 0.597 120.440 119.950 -0.179 0.000 2.589 665 F HA -0.052 nan 4.527 nan 0.000 0.352 665 F C 0.547 176.222 175.800 -0.208 0.000 1.168 665 F CA 0.140 57.969 58.000 -0.284 0.000 1.353 665 F CB 0.319 38.932 39.000 -0.644 0.000 1.116 665 F HN 0.423 8.504 8.300 -0.366 0.000 0.608 666 C N 0.483 119.771 119.300 -0.020 0.000 3.545 666 C HA 0.203 nan 4.460 nan 0.000 0.368 666 C C -1.468 173.315 174.990 -0.344 0.000 1.400 666 C CA -0.091 58.817 59.018 -0.184 0.000 1.848 666 C CB 1.790 29.581 27.740 0.085 0.000 2.576 666 C HN 0.188 8.415 8.230 -0.004 0.000 0.683 667 V N 0.059 119.698 119.914 -0.458 0.000 2.498 667 V HA 0.192 nan 4.120 nan 0.000 0.283 667 V C -1.577 174.143 176.094 -0.624 0.000 1.015 667 V CA -1.288 60.633 62.300 -0.632 0.000 0.867 667 V CB 1.739 32.908 31.823 -1.089 0.000 1.025 667 V HN -0.469 7.469 8.190 -0.420 0.000 0.441 668 A N 7.366 129.916 122.820 -0.451 0.000 2.386 668 A HA 0.372 nan 4.320 nan 0.000 0.246 668 A C -2.540 174.820 177.584 -0.374 0.000 1.089 668 A CA -2.049 49.763 52.037 -0.376 0.000 0.790 668 A CB -0.444 18.561 19.000 0.007 0.000 1.042 668 A HN 0.493 8.742 8.150 -0.378 -0.326 0.497 669 P HA -0.126 nan 4.420 nan 0.000 0.268 669 P C -0.404 176.812 177.300 -0.140 0.000 1.204 669 P CA 0.522 63.473 63.100 -0.249 0.000 0.768 669 P CB -0.079 31.498 31.700 -0.206 0.000 0.842 670 G N 5.136 113.865 108.800 -0.119 0.000 2.268 670 G HA2 -0.402 nan 3.960 nan 0.000 0.240 670 G HA3 -0.402 nan 3.960 nan 0.000 0.240 670 G C -0.398 174.457 174.900 -0.075 0.000 1.010 670 G CA 0.012 45.068 45.100 -0.073 0.000 0.618 670 G HN 0.961 9.062 8.290 -0.127 0.113 0.516 671 E N 3.129 123.249 120.200 -0.132 0.000 2.383 671 E HA 0.074 nan 4.350 nan 0.000 0.264 671 E C -0.692 175.817 176.600 -0.152 0.000 1.050 671 E CA 0.065 56.378 56.400 -0.145 0.000 0.896 671 E CB 1.060 30.624 29.700 -0.227 0.000 0.982 671 E HN -0.562 7.488 8.360 -0.173 0.206 0.424 672 K N 1.573 121.926 120.400 -0.078 0.000 2.227 672 K HA 0.363 nan 4.320 nan 0.000 0.280 672 K C 0.427 177.010 176.600 -0.029 0.000 1.041 672 K CA -1.546 54.742 56.287 0.001 0.000 0.905 672 K CB 0.528 33.064 32.500 0.059 0.000 1.068 672 K HN 0.513 8.620 8.250 -0.056 0.109 0.470 673 W N 4.996 126.257 121.300 -0.064 0.000 2.550 673 W HA -0.351 nan 4.660 nan 0.000 0.339 673 W C -0.176 176.317 176.519 -0.044 0.000 1.174 673 W CA 1.972 59.267 57.345 -0.084 0.000 1.243 673 W CB -0.372 29.028 29.460 -0.100 0.000 1.172 673 W HN 0.848 9.075 8.180 0.221 0.085 0.566 674 S N 3.128 118.890 115.700 0.104 0.000 2.672 674 S HA 0.048 nan 4.470 nan 0.000 0.276 674 S C 0.753 175.458 174.600 0.176 0.000 1.207 674 S CA -1.396 56.877 58.200 0.121 0.000 1.002 674 S CB 2.610 65.861 63.200 0.085 0.000 0.998 674 S HN -0.182 8.106 8.310 -0.035 0.000 0.542 675 E N 2.031 122.324 120.200 0.155 0.000 2.110 675 E HA -0.363 nan 4.350 nan 0.000 0.193 675 E C 0.954 177.655 176.600 0.168 0.000 0.988 675 E CA 3.522 60.011 56.400 0.147 0.000 0.804 675 E CB -0.585 29.195 29.700 0.134 0.000 0.745 675 E HN 0.770 9.213 8.360 0.139 0.000 0.458 676 T N 2.180 116.866 114.554 0.221 0.000 2.545 676 T HA -0.309 nan 4.350 nan 0.000 0.261 676 T C 1.861 176.705 174.700 0.240 0.000 1.097 676 T CA 3.225 65.478 62.100 0.255 0.000 1.189 676 T CB -0.765 68.269 68.868 0.276 0.000 0.863 676 T HN -0.342 8.033 8.240 0.233 0.005 0.405 677 A N 1.192 124.169 122.820 0.261 0.000 1.893 677 A HA -0.420 nan 4.320 nan 0.000 0.222 677 A C 1.639 179.549 177.584 0.543 0.000 1.309 677 A CA 3.075 55.352 52.037 0.400 0.000 0.681 677 A CB -1.109 17.991 19.000 0.166 0.000 0.842 677 A HN -0.543 7.727 8.150 0.200 0.000 0.468 678 V N -1.253 118.895 119.914 0.390 0.000 2.313 678 V HA -0.545 nan 4.120 nan 0.000 0.253 678 V C 2.272 178.489 176.094 0.205 0.000 1.070 678 V CA 4.464 66.925 62.300 0.268 0.000 1.057 678 V CB -1.008 30.898 31.823 0.138 0.000 0.653 678 V HN -0.228 8.170 8.190 0.348 0.000 0.450 679 K N -0.749 119.719 120.400 0.113 0.000 2.031 679 K HA -0.299 nan 4.320 nan 0.000 0.205 679 K C 1.599 178.186 176.600 -0.021 0.000 1.049 679 K CA 3.146 59.392 56.287 -0.067 0.000 0.939 679 K CB -0.082 32.202 32.500 -0.361 0.000 0.717 679 K HN -0.105 8.109 8.250 0.121 0.109 0.438 680 Y N 0.953 121.246 120.300 -0.011 0.000 2.128 680 Y HA -0.476 nan 4.550 nan 0.000 0.284 680 Y C 1.972 177.923 175.900 0.086 0.000 1.154 680 Y CA 3.525 61.647 58.100 0.036 0.000 1.149 680 Y CB -0.100 38.423 38.460 0.106 0.000 0.976 680 Y HN -0.451 7.914 8.280 0.265 0.074 0.505 681 F N -3.381 116.626 119.950 0.095 0.000 2.161 681 F HA -0.433 nan 4.527 nan 0.000 0.300 681 F C 2.037 177.851 175.800 0.024 0.000 1.089 681 F CA 4.727 62.766 58.000 0.066 0.000 1.282 681 F CB -0.740 38.386 39.000 0.209 0.000 1.010 681 F HN 0.556 9.333 8.300 0.795 0.000 0.485 682 T N 3.229 117.884 114.554 0.169 0.000 2.867 682 T HA -0.303 nan 4.350 nan 0.000 0.268 682 T C 2.163 176.910 174.700 0.079 0.000 1.057 682 T CA 4.692 66.854 62.100 0.104 0.000 1.136 682 T CB -0.665 68.231 68.868 0.047 0.000 0.874 682 T HN -0.234 8.015 8.240 0.188 0.103 0.466 683 I N 1.800 122.352 120.570 -0.030 0.000 2.179 683 I HA -0.535 nan 4.170 nan 0.000 0.242 683 I C 1.449 177.647 176.117 0.134 0.000 1.088 683 I CA 4.236 65.498 61.300 -0.063 0.000 1.357 683 I CB -0.449 37.413 38.000 -0.231 0.000 1.051 683 I HN 0.100 8.148 8.210 -0.083 0.112 0.409 684 L N -0.987 120.225 121.223 -0.018 0.000 1.970 684 L HA -0.486 nan 4.340 nan 0.000 0.212 684 L C 2.143 179.136 176.870 0.204 0.000 1.071 684 L CA 3.481 58.369 54.840 0.080 0.000 0.751 684 L CB -1.271 40.722 42.059 -0.109 0.000 0.889 684 L HN -0.266 7.835 8.230 -0.214 0.000 0.432 685 Q N -0.901 119.037 119.800 0.230 0.000 2.077 685 Q HA -0.497 nan 4.340 nan 0.000 0.206 685 Q C 2.453 178.555 176.000 0.169 0.000 0.989 685 Q CA 3.552 59.520 55.803 0.276 0.000 0.853 685 Q CB -0.235 28.708 28.738 0.341 0.000 0.907 685 Q HN 0.564 8.851 8.270 0.211 0.110 0.418 686 D N -1.950 118.562 120.400 0.187 0.000 2.219 686 D HA -0.200 nan 4.640 nan 0.000 0.205 686 D C 1.826 178.124 176.300 -0.003 0.000 0.970 686 D CA 2.278 56.346 54.000 0.113 0.000 0.851 686 D CB -0.532 40.379 40.800 0.184 0.000 0.943 686 D HN -0.088 8.415 8.370 0.221 0.000 0.488 687 G N -1.410 107.511 108.800 0.201 0.000 2.422 687 G HA2 -0.192 nan 3.960 nan 0.000 0.218 687 G HA3 -0.192 nan 3.960 nan 0.000 0.218 687 G C 0.838 175.802 174.900 0.108 0.000 1.140 687 G CA 1.312 46.485 45.100 0.121 0.000 0.775 687 G HN -0.074 8.327 8.290 0.394 0.125 0.545 688 I N 1.520 122.136 120.570 0.077 0.000 2.202 688 I HA -0.423 nan 4.170 nan 0.000 0.242 688 I C 1.035 177.121 176.117 -0.053 0.000 1.091 688 I CA 3.481 64.781 61.300 0.000 0.000 1.368 688 I CB -0.059 37.848 38.000 -0.154 0.000 1.058 688 I HN 0.062 8.215 8.210 0.103 0.119 0.410 689 N N 0.649 119.297 118.700 -0.087 0.000 3.303 689 N HA -0.037 nan 4.740 nan 0.000 0.304 689 N C -1.213 174.157 175.510 -0.234 0.000 1.302 689 N CA 1.190 54.165 53.050 -0.125 0.000 1.213 689 N CB -1.607 36.833 38.487 -0.078 0.000 1.481 689 N HN -0.354 7.929 8.380 -0.053 0.066 0.546 690 N N -1.592 116.918 118.700 -0.316 0.000 2.458 690 N HA -0.050 nan 4.740 nan 0.000 0.329 690 N C -1.794 173.186 175.510 -0.883 0.000 0.778 690 N CA 1.519 54.176 53.050 -0.655 0.000 0.837 690 N CB 1.880 39.823 38.487 -0.907 0.000 2.427 690 N HN -0.194 8.004 8.380 -0.202 0.061 1.134 691 F N -0.009 119.930 119.950 -0.019 0.000 2.584 691 F HA 0.529 nan 4.527 nan 0.000 0.328 691 F C -2.908 173.110 175.800 0.364 0.000 1.407 691 F CA -3.067 55.065 58.000 0.221 0.000 1.145 691 F CB 0.492 39.561 39.000 0.115 0.000 1.440 691 F HN -0.609 7.661 8.300 -0.050 0.000 0.580 692 P HA -0.116 nan 4.420 nan 0.000 0.265 692 P C -0.183 177.267 177.300 0.251 0.000 1.193 692 P CA 1.177 64.383 63.100 0.177 0.000 0.765 692 P CB 0.324 32.031 31.700 0.010 0.000 0.823 693 G N 0.791 109.594 108.800 0.005 0.000 2.137 693 G HA2 -0.294 nan 3.960 nan 0.000 0.237 693 G HA3 -0.294 nan 3.960 nan 0.000 0.237 693 G C -1.037 173.398 174.900 -0.775 0.000 1.002 693 G CA 0.441 45.349 45.100 -0.321 0.000 0.702 693 G HN 0.237 8.532 8.290 0.008 0.000 0.515 694 F N -3.299 116.718 119.950 0.112 0.000 3.033 694 F HA 0.112 nan 4.527 nan 0.000 0.332 694 F C -1.219 174.645 175.800 0.108 0.000 1.266 694 F CA -1.508 56.550 58.000 0.098 0.000 0.998 694 F CB 0.903 39.968 39.000 0.108 0.000 1.438 694 F HN -0.629 7.729 8.300 0.161 0.039 0.501 695 A N -0.026 122.902 122.820 0.180 0.000 2.454 695 A HA 0.387 nan 4.320 nan 0.000 0.260 695 A C -1.966 175.678 177.584 0.100 0.000 1.106 695 A CA -0.918 51.192 52.037 0.122 0.000 0.780 695 A CB -0.555 18.453 19.000 0.013 0.000 1.044 695 A HN -0.275 7.935 8.150 0.100 0.000 0.498 696 P HA 0.006 nan 4.420 nan 0.000 0.271 696 P C -1.740 175.635 177.300 0.126 0.000 1.216 696 P CA -0.329 62.852 63.100 0.134 0.000 0.771 696 P CB 0.588 32.383 31.700 0.159 0.000 0.864 697 E N 3.467 123.730 120.200 0.105 0.000 2.299 697 E HA -0.080 nan 4.350 nan 0.000 0.272 697 E C -1.691 175.091 176.600 0.303 0.000 1.043 697 E CA -0.329 56.110 56.400 0.064 0.000 0.895 697 E CB -0.709 28.856 29.700 -0.225 0.000 1.011 697 E HN 0.320 8.736 8.360 0.094 0.000 0.432 698 I N 1.678 122.444 120.570 0.326 0.000 2.740 698 I HA 0.377 nan 4.170 nan 0.000 0.303 698 I C -0.663 175.658 176.117 0.339 0.000 1.044 698 I CA -2.242 59.308 61.300 0.417 0.000 1.064 698 I CB 2.130 40.417 38.000 0.478 0.000 1.249 698 I HN 0.045 8.414 8.210 0.267 0.000 0.433 699 Q N 2.675 122.669 119.800 0.324 0.000 2.379 699 Q HA 0.319 nan 4.340 nan 0.000 0.278 699 Q C -0.629 175.436 176.000 0.108 0.000 1.068 699 Q CA -0.748 55.167 55.803 0.187 0.000 0.816 699 Q CB 3.872 32.754 28.738 0.240 0.000 1.387 699 Q HN 0.092 8.494 8.270 0.387 0.100 0.413 700 G N 0.652 109.407 108.800 -0.074 0.000 2.176 700 G HA2 -0.383 nan 3.960 nan 0.000 0.253 700 G HA3 -0.383 nan 3.960 nan 0.000 0.253 700 G C -1.992 172.811 174.900 -0.161 0.000 0.979 700 G CA 0.316 45.361 45.100 -0.092 0.000 0.641 700 G HN 0.422 8.622 8.290 -0.151 0.000 0.530 701 V N -0.637 119.086 119.914 -0.320 0.000 2.914 701 V HA 0.475 nan 4.120 nan 0.000 0.314 701 V C -1.218 174.479 176.094 -0.661 0.000 1.084 701 V CA -2.014 60.105 62.300 -0.301 0.000 0.963 701 V CB 3.075 34.836 31.823 -0.102 0.000 1.025 701 V HN -0.818 7.116 8.190 -0.285 0.084 0.432 702 Y N 1.501 121.693 120.300 -0.180 0.000 2.462 702 Y HA 0.266 nan 4.550 nan 0.000 0.346 702 Y C -1.073 174.671 175.900 -0.261 0.000 0.976 702 Y CA -2.209 55.809 58.100 -0.136 0.000 1.044 702 Y CB 3.450 41.892 38.460 -0.031 0.000 1.230 702 Y HN 0.345 8.639 8.280 0.090 0.040 0.455 703 F N 2.717 122.825 119.950 0.264 0.000 2.303 703 F HA 0.103 nan 4.527 nan 0.000 0.368 703 F C -0.447 175.454 175.800 0.169 0.000 1.105 703 F CA -0.671 57.461 58.000 0.219 0.000 1.153 703 F CB 0.264 39.355 39.000 0.152 0.000 1.362 703 F HN 0.224 8.726 8.300 0.336 0.000 0.511 704 K N 5.399 125.986 120.400 0.311 0.000 2.297 704 K HA 0.029 nan 4.320 nan 0.000 0.286 704 K C -0.413 176.319 176.600 0.220 0.000 1.053 704 K CA -1.818 54.564 56.287 0.159 0.000 0.940 704 K CB 0.657 33.149 32.500 -0.013 0.000 1.019 704 K HN 0.619 9.050 8.250 0.422 0.071 0.475 705 Q N 5.165 125.049 119.800 0.141 0.000 2.359 705 Q HA -0.051 nan 4.340 nan 0.000 0.249 705 Q C -0.188 175.867 176.000 0.093 0.000 1.181 705 Q CA -0.037 55.833 55.803 0.111 0.000 0.897 705 Q CB -0.364 28.417 28.738 0.071 0.000 1.424 705 Q HN 0.621 8.953 8.270 0.103 0.000 0.478 706 E N 9.307 129.572 120.200 0.108 0.000 1.932 706 E HA 0.073 nan 4.350 nan 0.000 0.259 706 E C -0.116 176.513 176.600 0.047 0.000 1.099 706 E CA -1.781 54.669 56.400 0.084 0.000 0.970 706 E CB -0.888 28.873 29.700 0.101 0.000 1.143 706 E HN -0.065 8.372 8.360 0.128 0.000 0.441 707 G N 7.752 116.572 108.800 0.033 0.000 2.677 707 G HA2 -0.523 nan 3.960 nan 0.000 0.321 707 G HA3 -0.523 nan 3.960 nan 0.000 0.321 707 G C -0.119 174.785 174.900 0.007 0.000 1.181 707 G CA 1.923 47.032 45.100 0.016 0.000 0.965 707 G HN -0.209 8.103 8.290 0.037 0.000 0.548 708 D N 4.594 124.994 120.400 -0.001 0.000 2.162 708 D HA -0.077 nan 4.640 nan 0.000 0.203 708 D C 0.510 176.801 176.300 -0.016 0.000 0.967 708 D CA 1.248 55.238 54.000 -0.016 0.000 0.840 708 D CB 0.389 41.173 40.800 -0.028 0.000 0.972 708 D HN 0.213 8.583 8.370 0.000 0.000 0.482 709 K N -1.905 118.495 120.400 0.000 0.000 2.139 709 K HA 0.342 nan 4.320 nan 0.000 0.243 709 K C -2.121 174.511 176.600 0.053 0.000 0.983 709 K CA -1.690 54.602 56.287 0.008 0.000 0.890 709 K CB 2.448 34.953 32.500 0.009 0.000 1.090 709 K HN -0.584 7.671 8.250 0.008 0.000 0.445 710 V N -0.715 119.244 119.914 0.075 0.000 2.966 710 V HA 0.541 nan 4.120 nan 0.000 0.317 710 V C -1.174 175.091 176.094 0.285 0.000 1.070 710 V CA -2.231 60.169 62.300 0.167 0.000 1.008 710 V CB 1.403 33.296 31.823 0.117 0.000 1.070 710 V HN -0.313 8.184 8.190 0.039 -0.283 0.457 711 V N 4.005 124.165 119.914 0.410 0.000 2.686 711 V HA 0.313 nan 4.120 nan 0.000 0.306 711 V C -1.790 174.502 176.094 0.331 0.000 1.065 711 V CA -1.693 60.817 62.300 0.350 0.000 0.894 711 V CB 4.251 36.203 31.823 0.216 0.000 1.004 711 V HN 0.673 9.077 8.190 0.430 0.044 0.424 712 A N 6.356 129.212 122.820 0.060 0.000 2.407 712 A HA 0.566 nan 4.320 nan 0.000 0.248 712 A C -1.849 175.647 177.584 -0.148 0.000 1.082 712 A CA -0.482 51.358 52.037 -0.329 0.000 0.785 712 A CB 1.094 19.880 19.000 -0.356 0.000 1.020 712 A HN 0.117 8.607 8.150 0.150 -0.250 0.489 713 Y N -0.506 119.672 120.300 -0.203 0.000 2.479 713 Y HA 0.352 nan 4.550 nan 0.000 0.338 713 Y C -1.046 174.859 175.900 0.008 0.000 1.055 713 Y CA -0.643 57.395 58.100 -0.103 0.000 1.023 713 Y CB 4.745 43.186 38.460 -0.032 0.000 1.287 713 Y HN 0.348 8.641 8.280 0.018 -0.002 0.447 714 G N 0.077 108.929 108.800 0.087 0.000 2.481 714 G HA2 0.485 nan 3.960 nan 0.000 0.315 714 G HA3 0.485 nan 3.960 nan 0.000 0.315 714 G C -2.345 172.665 174.900 0.183 0.000 1.231 714 G CA -1.846 43.354 45.100 0.167 0.000 0.968 714 G HN 0.319 8.575 8.290 -0.055 0.000 0.482 715 E N 1.567 121.929 120.200 0.271 0.000 2.265 715 E HA 0.099 nan 4.350 nan 0.000 0.272 715 E C -1.057 175.689 176.600 0.244 0.000 1.067 715 E CA 0.212 56.767 56.400 0.258 0.000 0.900 715 E CB 0.097 30.044 29.700 0.412 0.000 1.017 715 E HN 0.262 8.841 8.360 0.365 0.000 0.431 716 V N 5.400 125.434 119.914 0.199 0.000 2.919 716 V HA 0.560 nan 4.120 nan 0.000 0.316 716 V C -1.002 175.230 176.094 0.229 0.000 1.077 716 V CA -1.917 60.507 62.300 0.207 0.000 0.977 716 V CB 4.112 36.010 31.823 0.125 0.000 1.039 716 V HN 0.402 8.687 8.190 0.157 0.000 0.441 717 Y N 4.334 124.705 120.300 0.119 0.000 2.511 717 Y HA -0.137 nan 4.550 nan 0.000 0.332 717 Y C -1.250 174.700 175.900 0.084 0.000 1.177 717 Y CA -0.196 57.969 58.100 0.108 0.000 1.422 717 Y CB 0.505 39.019 38.460 0.090 0.000 1.271 717 Y HN 0.582 8.951 8.280 0.330 0.109 0.550 718 D N 7.843 127.870 120.400 -0.622 0.000 2.446 718 D HA 0.147 nan 4.640 nan 0.000 0.251 718 D C -0.762 174.962 176.300 -0.960 0.000 1.137 718 D CA -1.679 51.981 54.000 -0.567 0.000 0.890 718 D CB 0.685 41.364 40.800 -0.202 0.000 1.071 718 D HN -0.291 7.760 8.370 -0.381 0.091 0.528 719 A N 5.676 127.832 122.820 -1.106 0.000 2.067 719 A HA -0.241 nan 4.320 nan 0.000 0.219 719 A C 1.744 179.178 177.584 -0.251 0.000 1.158 719 A CA 2.928 54.584 52.037 -0.636 0.000 0.661 719 A CB -0.138 18.744 19.000 -0.197 0.000 0.801 719 A HN 0.674 8.296 8.150 -0.880 0.000 0.452 720 E N -0.831 119.238 120.200 -0.217 0.000 2.016 720 E HA -0.199 nan 4.350 nan 0.000 0.190 720 E C 2.141 178.678 176.600 -0.105 0.000 0.985 720 E CA 2.519 58.847 56.400 -0.120 0.000 0.802 720 E CB -0.169 29.476 29.700 -0.092 0.000 0.762 720 E HN -0.400 7.873 8.360 -0.261 -0.070 0.448 721 V N 0.386 120.237 119.914 -0.105 0.000 2.282 721 V HA -0.445 nan 4.120 nan 0.000 0.249 721 V C 1.490 177.533 176.094 -0.085 0.000 1.057 721 V CA 4.029 66.299 62.300 -0.050 0.000 1.032 721 V CB -0.751 31.071 31.823 -0.002 0.000 0.645 721 V HN 0.112 8.643 8.190 -0.123 -0.414 0.447 722 A N -3.394 119.311 122.820 -0.191 0.000 1.851 722 A HA -0.340 nan 4.320 nan 0.000 0.216 722 A C 2.020 179.451 177.584 -0.255 0.000 1.195 722 A CA 2.931 54.672 52.037 -0.494 0.000 0.622 722 A CB -0.702 18.153 19.000 -0.241 0.000 0.831 722 A HN -0.389 7.661 8.150 -0.171 -0.003 0.444 723 K N -0.961 119.363 120.400 -0.126 0.000 2.077 723 K HA -0.331 nan 4.320 nan 0.000 0.213 723 K C 1.823 178.398 176.600 -0.043 0.000 1.051 723 K CA 2.714 58.966 56.287 -0.058 0.000 0.929 723 K CB -0.115 32.359 32.500 -0.042 0.000 0.715 723 K HN 0.178 8.153 8.250 -0.137 0.192 0.451 724 N N -4.304 114.369 118.700 -0.045 0.000 2.322 724 N HA 0.082 nan 4.740 nan 0.000 0.194 724 N C -1.036 174.468 175.510 -0.010 0.000 1.126 724 N CA 0.431 53.467 53.050 -0.023 0.000 0.845 724 N CB 0.448 38.923 38.487 -0.021 0.000 0.976 724 N HN -0.129 8.103 8.380 -0.060 0.112 0.475 725 D N 1.516 121.911 120.400 -0.008 0.000 2.435 725 D HA 0.076 nan 4.640 nan 0.000 0.230 725 D C -0.028 176.290 176.300 0.030 0.000 1.215 725 D CA -1.149 52.878 54.000 0.045 0.000 0.947 725 D CB -0.053 40.845 40.800 0.163 0.000 1.048 725 D HN -0.021 8.128 8.370 -0.048 0.192 0.512 726 D N 5.189 125.580 120.400 -0.015 0.000 2.411 726 D HA -0.263 nan 4.640 nan 0.000 0.226 726 D C 0.622 176.847 176.300 -0.124 0.000 0.988 726 D CA 1.588 55.561 54.000 -0.044 0.000 0.938 726 D CB -0.806 39.971 40.800 -0.039 0.000 0.883 726 D HN -0.082 8.281 8.370 -0.011 0.000 0.525 727 R N -2.328 118.021 120.500 -0.251 0.000 2.189 727 R HA -0.139 nan 4.340 nan 0.000 0.218 727 R C 0.537 176.376 176.300 -0.768 0.000 1.074 727 R CA 1.764 57.501 56.100 -0.606 0.000 0.991 727 R CB 0.837 30.564 30.300 -0.955 0.000 0.883 727 R HN -0.753 7.581 8.270 -0.163 -0.162 0.457 728 Y N -1.506 118.834 120.300 0.067 0.000 2.361 728 Y HA -0.003 nan 4.550 nan 0.000 0.328 728 Y C -2.040 173.884 175.900 0.040 0.000 1.044 728 Y CA -0.191 57.949 58.100 0.067 0.000 1.085 728 Y CB 1.096 39.627 38.460 0.117 0.000 1.194 728 Y HN -0.305 7.882 8.280 -0.094 0.037 0.438 729 N N -0.845 117.945 118.700 0.149 0.000 2.511 729 N HA -0.108 nan 4.740 nan 0.000 0.312 729 N C -1.441 174.110 175.510 0.068 0.000 0.637 729 N CA 0.451 53.555 53.050 0.090 0.000 0.827 729 N CB 0.516 39.034 38.487 0.052 0.000 2.277 729 N HN 0.054 8.518 8.380 0.141 0.000 1.416 730 N N 0.000 118.730 118.700 0.051 0.000 1.763 730 N HA 0.000 nan 4.740 nan 0.000 0.220 730 N CA 0.000 53.074 53.050 0.039 0.000 0.885 730 N CB 0.000 38.501 38.487 0.023 0.000 1.341 730 N HN 0.000 8.406 8.380 0.043 0.000 0.667