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 2qmr_1_B DATA FIRST_RESID 30 DATA SEQUENCE QRTVQQKLEQ LNQYPDFNNY LIFVLTKLKS EDEPTRSLSG LILKNNVKAH DATA SEQUENCE FQNFPNGVTD FIKSECLNNI GDSSPLIRAT VGILITTIAS KGELQNWPDL DATA SEQUENCE LPKLCSLLDS EDYNTCEGAF GALQKICEDX XXXXXXXVLD RPLNIMIPKF DATA SEQUENCE LQFFKHSSPK IRSHAVACVN QFIISRTQAL MLHIDSFIEN LFALAGDEEP DATA SEQUENCE EVRKNVCRAL VMLLEVRMDR LLPHMHNIVE YMLQRTQDQD ENVALEACEF DATA SEQUENCE WLTLAEQPIC KDVLVRHLPK LIPVLVNGMK YSDIDIILLK XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXDWNLRKCS DATA SEQUENCE AAALDVLANV YRDELLPHIL PLLKELLFHH EWVVKESGIL VLGAIAEGCM DATA SEQUENCE QGMIPYLPEL IPHLIQCLSD KKALVRSITC WTLSRYAHWV VSQPPDTYLK DATA SEQUENCE PLMTELLKRI LDSNKRVQEA ACSAFATLEE EACTELVPYL AYILDTLVFA DATA SEQUENCE FSKYQHKNLL ILYDAIGTLA DSVGHHLNKP EYIQMLMPPL IQKWNMLKDE DATA SEQUENCE DKDLFPLLEC LSSVATALQS GFLPYCEPVY QRCVNLVQKT LAQAMLNNAQ DATA SEQUENCE PDQYEAPDKD FMIVALDLLS GLAEGLGGNI EQLVARSNIL TLMYQCMQDK DATA SEQUENCE MPEVRQSSFA LLGDLTKACF QHVKPCIADF MPILGTNLNP EFISVCNNAT DATA SEQUENCE WAIGEISIQM GIEMQPYIPM VLHQLVEIIN RPNTPKTLLE NTAITIGRLG DATA SEQUENCE YVCPQEVAPM LQQFIRPWCT SLRNIRDNEE KDSAFRGICT MISVNPSGVI DATA SEQUENCE QDFIFFCDAV ASWINPKDDL RDMFCKILHG FKNQVGDENW RRFSDQFPLP DATA SEQUENCE LKERLAAFYG V 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 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 175.996 176.000 -0.007 0.000 1.003 30 Q CA 0.000 55.799 55.803 -0.006 0.000 1.022 30 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 31 R N 0.630 121.126 120.500 -0.007 0.000 2.115 31 R HA 0.485 4.822 4.340 -0.004 0.000 0.226 31 R C 2.135 178.430 176.300 -0.009 0.000 1.100 31 R CA 2.913 59.008 56.100 -0.007 0.000 0.980 31 R CB -0.842 29.454 30.300 -0.006 0.000 0.875 31 R HN 1.496 nan 8.270 nan 0.000 0.445 32 T N -2.195 112.353 114.554 -0.010 0.000 3.262 32 T HA 0.592 4.940 4.350 -0.004 0.000 0.300 32 T C 1.875 176.567 174.700 -0.014 0.000 0.959 32 T CA 0.759 62.851 62.100 -0.013 0.000 0.936 32 T CB -0.198 68.662 68.868 -0.013 0.000 1.169 32 T HN 0.466 nan 8.240 nan 0.000 0.532 33 V N 0.607 120.514 119.914 -0.012 0.000 2.323 33 V HA 0.262 4.380 4.120 -0.004 0.000 0.244 33 V C 2.584 178.672 176.094 -0.010 0.000 1.041 33 V CA 2.713 65.006 62.300 -0.011 0.000 1.025 33 V CB -1.110 30.709 31.823 -0.008 0.000 0.656 33 V HN 0.591 nan 8.190 nan 0.000 0.451 34 Q N -0.783 119.011 119.800 -0.010 0.000 2.331 34 Q HA 0.081 4.419 4.340 -0.004 0.000 0.203 34 Q C 2.040 178.030 176.000 -0.017 0.000 0.944 34 Q CA 1.866 57.662 55.803 -0.012 0.000 0.892 34 Q CB -0.934 27.798 28.738 -0.011 0.000 0.983 34 Q HN 1.083 nan 8.270 nan 0.000 0.482 35 Q N -0.172 119.618 119.800 -0.018 0.000 2.369 35 Q HA 0.150 4.488 4.340 -0.004 0.000 0.206 35 Q C 2.236 178.220 176.000 -0.027 0.000 0.963 35 Q CA 2.049 57.840 55.803 -0.021 0.000 0.894 35 Q CB -0.843 27.884 28.738 -0.018 0.000 0.965 35 Q HN 0.891 nan 8.270 nan 0.000 0.475 36 K N -0.835 119.550 120.400 -0.026 0.000 2.262 36 K HA 0.583 4.901 4.320 -0.004 0.000 0.200 36 K C 2.490 179.071 176.600 -0.032 0.000 1.058 36 K CA 1.223 57.491 56.287 -0.032 0.000 0.974 36 K CB -1.212 31.270 32.500 -0.030 0.000 0.910 36 K HN 0.935 nan 8.250 nan 0.000 0.484 37 L N 1.138 122.349 121.223 -0.020 0.000 2.027 37 L HA 0.202 4.540 4.340 -0.004 0.000 0.206 37 L C 2.646 179.504 176.870 -0.020 0.000 1.074 37 L CA 2.801 57.636 54.840 -0.007 0.000 0.745 37 L CB -1.851 40.213 42.059 0.009 0.000 0.898 37 L HN 0.689 nan 8.230 nan 0.000 0.433 38 E N -0.254 119.930 120.200 -0.027 0.000 2.511 38 E HA 0.210 4.558 4.350 -0.004 0.000 0.196 38 E C 1.879 178.448 176.600 -0.052 0.000 1.066 38 E CA 1.090 57.467 56.400 -0.039 0.000 0.871 38 E CB -0.907 28.774 29.700 -0.031 0.000 0.863 38 E HN 1.110 nan 8.360 nan 0.000 0.520 39 Q N -0.944 118.822 119.800 -0.056 0.000 2.246 39 Q HA 0.683 5.021 4.340 -0.004 0.000 0.202 39 Q C 1.168 177.106 176.000 -0.103 0.000 0.883 39 Q CA 0.483 56.243 55.803 -0.071 0.000 0.952 39 Q CB -0.826 27.875 28.738 -0.060 0.000 1.078 39 Q HN 1.172 nan 8.270 nan 0.000 0.493 40 L N 0.728 121.889 121.223 -0.104 0.000 2.407 40 L HA 0.648 4.986 4.340 -0.004 0.000 0.282 40 L C 1.059 177.822 176.870 -0.178 0.000 1.110 40 L CA 0.466 55.223 54.840 -0.139 0.000 0.863 40 L CB -1.561 40.438 42.059 -0.099 0.000 1.207 40 L HN 0.720 nan 8.230 nan 0.000 0.454 41 N N 1.900 120.441 118.700 -0.266 0.000 2.187 41 N HA 0.368 5.105 4.740 -0.004 0.000 0.191 41 N C 1.638 177.000 175.510 -0.247 0.000 1.057 41 N CA 2.753 55.628 53.050 -0.291 0.000 0.913 41 N CB -0.262 37.939 38.487 -0.477 0.000 1.089 41 N HN 1.666 nan 8.380 nan 0.000 0.472 42 Q N -1.741 117.872 119.800 -0.311 0.000 1.982 42 Q HA 0.358 4.696 4.340 -0.004 0.000 0.208 42 Q C 0.403 176.376 176.000 -0.045 0.000 0.751 42 Q CA 0.584 56.313 55.803 -0.124 0.000 0.914 42 Q CB -0.336 28.408 28.738 0.010 0.000 1.207 42 Q HN 1.258 nan 8.270 nan 0.000 0.433 43 Y N -2.686 117.564 120.300 -0.083 0.000 2.750 43 Y HA 0.504 5.052 4.550 -0.004 0.000 0.247 43 Y C -1.790 174.135 175.900 0.041 0.000 1.098 43 Y CA -1.304 56.776 58.100 -0.032 0.000 1.120 43 Y CB 0.589 39.012 38.460 -0.062 0.000 1.210 43 Y HN 0.110 nan 8.280 nan 0.000 0.601 44 P HA -0.033 nan 4.420 nan 0.000 0.222 44 P C 0.110 177.384 177.300 -0.043 0.000 1.153 44 P CA 1.370 64.404 63.100 -0.109 0.000 0.798 44 P CB 0.550 32.153 31.700 -0.162 0.000 0.796 45 D N -0.282 120.100 120.400 -0.031 0.000 2.117 45 D HA -0.134 4.504 4.640 -0.004 0.000 0.198 45 D C 1.691 178.054 176.300 0.104 0.000 0.982 45 D CA 0.680 54.682 54.000 0.004 0.000 0.828 45 D CB -1.275 39.547 40.800 0.036 0.000 0.967 45 D HN 0.102 nan 8.370 nan 0.000 0.464 46 F N 2.051 122.012 119.950 0.018 0.000 2.085 46 F HA -0.288 4.237 4.527 -0.004 0.000 0.299 46 F C 1.634 177.364 175.800 -0.118 0.000 1.096 46 F CA 1.505 59.463 58.000 -0.071 0.000 1.227 46 F CB -0.325 38.644 39.000 -0.053 0.000 0.983 46 F HN -0.108 nan 8.300 nan 0.000 0.482 47 N N 0.632 119.143 118.700 -0.315 0.000 2.354 47 N HA -0.146 4.592 4.740 -0.004 0.000 0.179 47 N C 1.360 176.689 175.510 -0.303 0.000 1.021 47 N CA 0.870 53.676 53.050 -0.406 0.000 0.887 47 N CB -0.671 37.747 38.487 -0.115 0.000 0.974 47 N HN 0.390 nan 8.380 nan 0.000 0.437 48 N N 0.670 119.164 118.700 -0.343 0.000 2.334 48 N HA -0.154 4.584 4.740 -0.004 0.000 0.187 48 N C 0.979 176.228 175.510 -0.434 0.000 1.016 48 N CA 0.963 53.742 53.050 -0.451 0.000 0.879 48 N CB -0.163 37.943 38.487 -0.635 0.000 0.965 48 N HN 0.485 nan 8.380 nan 0.000 0.438 49 Y N -0.796 119.493 120.300 -0.019 0.000 2.503 49 Y HA 0.164 4.712 4.550 -0.004 0.000 0.278 49 Y C 1.825 177.761 175.900 0.060 0.000 1.111 49 Y CA -0.262 57.913 58.100 0.125 0.000 1.270 49 Y CB -0.184 38.394 38.460 0.197 0.000 1.063 49 Y HN -0.078 nan 8.280 nan 0.000 0.548 50 L N 0.204 121.455 121.223 0.047 0.000 2.456 50 L HA -0.032 4.306 4.340 -0.004 0.000 0.224 50 L C 1.419 178.296 176.870 0.013 0.000 1.148 50 L CA 1.515 56.360 54.840 0.007 0.000 0.825 50 L CB -0.391 41.606 42.059 -0.104 0.000 0.937 50 L HN 0.242 nan 8.230 nan 0.000 0.450 51 I N -3.128 117.450 120.570 0.013 0.000 3.339 51 I HA -0.051 4.117 4.170 -0.004 0.000 0.285 51 I C 1.656 177.844 176.117 0.118 0.000 1.201 51 I CA 0.303 61.623 61.300 0.033 0.000 1.434 51 I CB -0.031 37.963 38.000 -0.010 0.000 1.152 51 I HN 0.142 nan 8.210 nan 0.000 0.443 52 F N 0.510 120.441 119.950 -0.032 0.000 2.559 52 F HA 0.188 4.712 4.527 -0.004 0.000 0.286 52 F C 1.751 177.594 175.800 0.072 0.000 1.108 52 F CA 0.787 58.789 58.000 0.004 0.000 1.436 52 F CB 0.240 39.218 39.000 -0.036 0.000 1.130 52 F HN -0.269 nan 8.300 nan 0.000 0.584 53 V N -0.401 119.513 119.914 0.001 0.000 2.911 53 V HA 0.028 4.146 4.120 -0.004 0.000 0.237 53 V C 1.993 178.075 176.094 -0.021 0.000 1.156 53 V CA 0.806 63.056 62.300 -0.084 0.000 1.180 53 V CB -0.001 31.890 31.823 0.114 0.000 0.932 53 V HN 0.192 nan 8.190 nan 0.000 0.483 54 L N -0.024 121.231 121.223 0.052 0.000 2.209 54 L HA 0.068 4.406 4.340 -0.004 0.000 0.207 54 L C 1.566 178.447 176.870 0.019 0.000 1.094 54 L CA 1.107 55.973 54.840 0.043 0.000 0.790 54 L CB -0.003 42.102 42.059 0.078 0.000 0.932 54 L HN 0.294 nan 8.230 nan 0.000 0.447 55 T N 0.595 115.158 114.554 0.016 0.000 2.987 55 T HA 0.266 4.614 4.350 -0.004 0.000 0.288 55 T C 0.725 175.424 174.700 -0.002 0.000 0.981 55 T CA 0.453 62.559 62.100 0.010 0.000 1.031 55 T CB 0.589 69.467 68.868 0.016 0.000 0.976 55 T HN 0.292 nan 8.240 nan 0.000 0.612 56 K N 3.725 124.123 120.400 -0.004 0.000 2.065 56 K HA 0.418 4.735 4.320 -0.004 0.000 0.211 56 K C 2.491 179.091 176.600 0.000 0.000 1.025 56 K CA 1.096 57.378 56.287 -0.008 0.000 0.948 56 K CB -1.275 31.220 32.500 -0.008 0.000 0.798 56 K HN 0.754 nan 8.250 nan 0.000 0.450 57 L N 1.044 122.270 121.223 0.004 0.000 2.552 57 L HA 0.345 4.682 4.340 -0.004 0.000 0.227 57 L C 2.635 179.510 176.870 0.008 0.000 1.146 57 L CA 2.153 56.996 54.840 0.006 0.000 0.858 57 L CB -2.181 39.882 42.059 0.007 0.000 0.969 57 L HN 0.790 nan 8.230 nan 0.000 0.451 58 K N -0.274 120.131 120.400 0.009 0.000 2.074 58 K HA 0.549 4.866 4.320 -0.004 0.000 0.214 58 K C 1.826 178.432 176.600 0.011 0.000 1.029 58 K CA 1.030 57.324 56.287 0.010 0.000 0.966 58 K CB -1.261 31.246 32.500 0.012 0.000 0.945 58 K HN 1.237 nan 8.250 nan 0.000 0.453 59 S N 1.897 117.605 115.700 0.012 0.000 3.548 59 S HA 0.375 4.843 4.470 -0.004 0.000 0.195 59 S C 1.038 175.648 174.600 0.017 0.000 1.432 59 S CA 0.441 58.649 58.200 0.014 0.000 1.087 59 S CB -0.675 62.534 63.200 0.015 0.000 1.337 59 S HN 0.579 nan 8.310 nan 0.000 0.505 60 E N 1.070 121.278 120.200 0.014 0.000 2.106 60 E HA -0.128 4.220 4.350 -0.004 0.000 0.192 60 E C 0.097 176.709 176.600 0.020 0.000 0.984 60 E CA 0.359 56.767 56.400 0.013 0.000 0.806 60 E CB -0.729 28.977 29.700 0.009 0.000 0.750 60 E HN 0.578 nan 8.360 nan 0.000 0.458 61 D N 2.210 122.623 120.400 0.021 0.000 3.941 61 D HA -0.188 4.450 4.640 -0.004 0.000 0.225 61 D C 0.065 176.385 176.300 0.034 0.000 1.298 61 D CA 0.680 54.694 54.000 0.024 0.000 0.835 61 D CB 0.400 41.212 40.800 0.021 0.000 1.205 61 D HN 0.404 nan 8.370 nan 0.000 0.644 62 E N 2.465 122.687 120.200 0.036 0.000 2.097 62 E HA -0.186 4.162 4.350 -0.004 0.000 0.196 62 E C -0.729 175.909 176.600 0.064 0.000 1.000 62 E CA 1.302 57.732 56.400 0.050 0.000 0.804 62 E CB -0.687 29.040 29.700 0.044 0.000 0.740 62 E HN 0.481 nan 8.360 nan 0.000 0.454 63 P HA -0.198 nan 4.420 nan 0.000 0.216 63 P C 1.214 178.541 177.300 0.045 0.000 1.154 63 P CA 1.685 64.810 63.100 0.042 0.000 0.865 63 P CB -0.064 31.653 31.700 0.028 0.000 0.789 64 T N -1.331 113.250 114.554 0.044 0.000 2.812 64 T HA -0.044 4.304 4.350 -0.004 0.000 0.264 64 T C 1.817 176.558 174.700 0.068 0.000 1.042 64 T CA 0.973 63.098 62.100 0.040 0.000 1.140 64 T CB -0.405 68.481 68.868 0.030 0.000 0.870 64 T HN 0.114 nan 8.240 nan 0.000 0.445 65 R N 1.528 122.095 120.500 0.112 0.000 2.082 65 R HA -0.094 4.244 4.340 -0.004 0.000 0.234 65 R C 2.967 179.468 176.300 0.335 0.000 1.136 65 R CA 1.867 58.106 56.100 0.231 0.000 0.935 65 R CB -0.528 29.891 30.300 0.198 0.000 0.842 65 R HN 0.483 nan 8.270 nan 0.000 0.430 66 S N 0.770 116.634 115.700 0.274 0.000 2.469 66 S HA -0.117 4.351 4.470 -0.004 0.000 0.238 66 S C 1.905 176.500 174.600 -0.008 0.000 0.998 66 S CA 0.819 59.138 58.200 0.199 0.000 0.957 66 S CB -0.211 63.098 63.200 0.182 0.000 0.764 66 S HN 0.209 nan 8.310 nan 0.000 0.514 67 L N 1.981 123.204 121.223 0.001 0.000 2.027 67 L HA 0.045 4.382 4.340 -0.004 0.000 0.206 67 L C 2.706 179.515 176.870 -0.102 0.000 1.074 67 L CA 1.985 56.800 54.840 -0.042 0.000 0.745 67 L CB -1.159 40.890 42.059 -0.016 0.000 0.898 67 L HN 0.402 nan 8.230 nan 0.000 0.433 68 S N -0.433 115.205 115.700 -0.103 0.000 2.365 68 S HA -0.189 4.278 4.470 -0.004 0.000 0.225 68 S C 2.006 176.405 174.600 -0.336 0.000 1.039 68 S CA 1.510 59.608 58.200 -0.170 0.000 1.033 68 S CB -1.018 62.116 63.200 -0.110 0.000 0.887 68 S HN 0.645 nan 8.310 nan 0.000 0.447 69 G N 0.305 108.743 108.800 -0.602 0.000 2.625 69 G HA2 0.024 3.981 3.960 -0.004 0.000 0.214 69 G HA3 0.024 3.981 3.960 -0.004 0.000 0.214 69 G C 1.319 175.951 174.900 -0.446 0.000 1.132 69 G CA 0.679 45.232 45.100 -0.911 0.000 0.782 69 G HN 0.526 nan 8.290 nan 0.000 0.538 70 L N -0.206 120.854 121.223 -0.272 0.000 2.200 70 L HA 0.352 4.690 4.340 -0.004 0.000 0.200 70 L C 2.236 179.036 176.870 -0.117 0.000 1.072 70 L CA 0.473 55.222 54.840 -0.153 0.000 0.787 70 L CB 0.068 42.069 42.059 -0.097 0.000 0.957 70 L HN 0.146 nan 8.230 nan 0.000 0.459 71 I N -0.105 120.397 120.570 -0.114 0.000 3.334 71 I HA -0.135 4.033 4.170 -0.004 0.000 0.282 71 I C 1.741 177.813 176.117 -0.075 0.000 1.313 71 I CA 0.191 61.444 61.300 -0.079 0.000 1.396 71 I CB -0.123 37.837 38.000 -0.066 0.000 1.054 71 I HN 0.302 nan 8.210 nan 0.000 0.495 72 L N 1.706 122.863 121.223 -0.110 0.000 2.269 72 L HA -0.009 4.329 4.340 -0.004 0.000 0.200 72 L C 2.435 179.303 176.870 -0.004 0.000 1.069 72 L CA 1.461 56.260 54.840 -0.069 0.000 0.804 72 L CB -0.486 41.466 42.059 -0.178 0.000 0.987 72 L HN 0.208 nan 8.230 nan 0.000 0.468 73 K N -1.459 118.907 120.400 -0.057 0.000 2.365 73 K HA -0.052 4.266 4.320 -0.004 0.000 0.199 73 K C 1.348 177.910 176.600 -0.063 0.000 1.045 73 K CA 1.210 57.462 56.287 -0.057 0.000 0.962 73 K CB -0.411 32.046 32.500 -0.072 0.000 0.759 73 K HN 0.250 nan 8.250 nan 0.000 0.469 74 N N 1.431 120.098 118.700 -0.055 0.000 2.331 74 N HA -0.067 4.670 4.740 -0.004 0.000 0.180 74 N C 0.980 176.438 175.510 -0.088 0.000 1.019 74 N CA 0.845 53.858 53.050 -0.061 0.000 0.881 74 N CB -0.217 38.242 38.487 -0.047 0.000 0.972 74 N HN 0.352 nan 8.380 nan 0.000 0.435 75 N N 0.546 119.218 118.700 -0.046 0.000 2.188 75 N HA -0.064 4.674 4.740 -0.004 0.000 0.184 75 N C 1.820 177.277 175.510 -0.088 0.000 1.018 75 N CA 0.534 53.535 53.050 -0.082 0.000 0.858 75 N CB -0.460 38.146 38.487 0.198 0.000 0.989 75 N HN 0.050 nan 8.380 nan 0.000 0.426 76 V N 1.541 121.440 119.914 -0.024 0.000 2.427 76 V HA -0.157 3.961 4.120 -0.004 0.000 0.248 76 V C 2.194 178.214 176.094 -0.123 0.000 1.051 76 V CA 1.376 63.600 62.300 -0.127 0.000 1.048 76 V CB -0.402 31.254 31.823 -0.279 0.000 0.666 76 V HN 0.273 nan 8.190 nan 0.000 0.456 77 K N 0.235 120.562 120.400 -0.122 0.000 2.057 77 K HA -0.082 4.236 4.320 -0.004 0.000 0.206 77 K C 2.247 178.809 176.600 -0.064 0.000 1.050 77 K CA 1.569 57.801 56.287 -0.091 0.000 0.935 77 K CB -0.274 32.179 32.500 -0.077 0.000 0.715 77 K HN 0.490 nan 8.250 nan 0.000 0.439 78 A N 1.176 123.922 122.820 -0.123 0.000 1.887 78 A HA -0.038 4.280 4.320 -0.004 0.000 0.212 78 A C 0.691 178.300 177.584 0.041 0.000 1.198 78 A CA 0.626 52.626 52.037 -0.061 0.000 0.628 78 A CB -0.080 18.884 19.000 -0.060 0.000 0.847 78 A HN 0.438 nan 8.150 nan 0.000 0.449 79 H N -3.301 115.859 119.070 0.150 0.000 2.651 79 H HA 0.386 4.940 4.556 -0.004 0.000 0.252 79 H C -0.291 175.234 175.328 0.328 0.000 1.365 79 H CA -0.609 55.551 56.048 0.188 0.000 1.539 79 H CB -0.115 29.734 29.762 0.146 0.000 1.621 79 H HN 0.216 nan 8.280 nan 0.000 0.526 80 F N 2.819 122.818 119.950 0.082 0.000 2.530 80 F HA 0.114 4.639 4.527 -0.004 0.000 0.292 80 F C 1.870 177.712 175.800 0.070 0.000 1.109 80 F CA 0.681 58.601 58.000 -0.132 0.000 1.450 80 F CB 0.463 39.275 39.000 -0.313 0.000 1.114 80 F HN 0.316 nan 8.300 nan 0.000 0.560 81 Q N -0.037 119.762 119.800 -0.002 0.000 2.436 81 Q HA -0.061 4.277 4.340 -0.004 0.000 0.209 81 Q C 0.693 176.692 176.000 -0.003 0.000 0.965 81 Q CA 0.490 56.240 55.803 -0.088 0.000 0.910 81 Q CB -0.215 28.529 28.738 0.010 0.000 0.980 81 Q HN 0.359 nan 8.270 nan 0.000 0.491 82 N N -0.009 118.773 118.700 0.136 0.000 2.362 82 N HA 0.038 4.776 4.740 -0.004 0.000 0.204 82 N C -0.888 174.692 175.510 0.118 0.000 1.166 82 N CA 0.292 53.410 53.050 0.114 0.000 0.831 82 N CB 0.198 38.748 38.487 0.104 0.000 1.008 82 N HN 0.051 nan 8.380 nan 0.000 0.472 83 F N 1.734 121.586 119.950 -0.163 0.000 2.411 83 F HA 0.335 4.860 4.527 -0.004 0.000 0.350 83 F C -1.629 174.086 175.800 -0.141 0.000 1.114 83 F CA -2.625 55.283 58.000 -0.152 0.000 1.135 83 F CB 0.680 39.509 39.000 -0.284 0.000 1.120 83 F HN -0.140 nan 8.300 nan 0.000 0.495 84 P HA 0.122 nan 4.420 nan 0.000 0.271 84 P C 0.122 177.445 177.300 0.039 0.000 1.226 84 P CA -0.002 63.103 63.100 0.008 0.000 0.765 84 P CB 0.573 32.264 31.700 -0.014 0.000 0.835 85 N N 2.048 120.755 118.700 0.010 0.000 2.430 85 N HA -0.128 4.609 4.740 -0.004 0.000 0.186 85 N C 1.980 177.509 175.510 0.032 0.000 1.032 85 N CA 1.551 54.607 53.050 0.011 0.000 0.893 85 N CB -0.583 37.899 38.487 -0.007 0.000 0.957 85 N HN 0.576 nan 8.380 nan 0.000 0.442 86 G N 0.022 108.841 108.800 0.032 0.000 2.402 86 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.216 86 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.216 86 G C 1.505 176.470 174.900 0.110 0.000 1.162 86 G CA 0.771 45.899 45.100 0.047 0.000 0.777 86 G HN 0.227 nan 8.290 nan 0.000 0.539 87 V N 1.045 121.032 119.914 0.122 0.000 2.453 87 V HA -0.104 4.013 4.120 -0.004 0.000 0.247 87 V C 2.945 179.184 176.094 0.241 0.000 1.048 87 V CA 2.067 64.489 62.300 0.204 0.000 1.049 87 V CB -0.885 31.042 31.823 0.172 0.000 0.672 87 V HN 0.346 nan 8.190 nan 0.000 0.457 88 T N -0.675 114.002 114.554 0.205 0.000 3.072 88 T HA -0.107 4.241 4.350 -0.004 0.000 0.266 88 T C 1.388 176.088 174.700 0.001 0.000 1.127 88 T CA 1.087 63.279 62.100 0.155 0.000 1.107 88 T CB -0.219 68.717 68.868 0.114 0.000 0.910 88 T HN 0.451 nan 8.240 nan 0.000 0.513 89 D N -0.231 120.185 120.400 0.027 0.000 2.338 89 D HA 0.155 4.793 4.640 -0.004 0.000 0.208 89 D C 1.496 177.792 176.300 -0.008 0.000 0.997 89 D CA 0.084 54.060 54.000 -0.040 0.000 0.880 89 D CB -0.010 40.781 40.800 -0.016 0.000 0.980 89 D HN 0.267 nan 8.370 nan 0.000 0.509 90 F N 2.089 122.000 119.950 -0.065 0.000 2.051 90 F HA -0.100 4.425 4.527 -0.004 0.000 0.296 90 F C 2.243 177.892 175.800 -0.251 0.000 1.122 90 F CA 0.868 58.818 58.000 -0.083 0.000 1.201 90 F CB -0.588 38.431 39.000 0.033 0.000 0.978 90 F HN -0.169 nan 8.300 nan 0.000 0.472 91 I N 0.455 121.037 120.570 0.019 0.000 2.103 91 I HA -0.499 3.669 4.170 -0.004 0.000 0.241 91 I C 2.342 178.331 176.117 -0.214 0.000 1.036 91 I CA 2.174 63.279 61.300 -0.324 0.000 1.300 91 I CB -0.334 37.602 38.000 -0.107 0.000 1.010 91 I HN 0.214 nan 8.210 nan 0.000 0.406 92 K N 0.304 120.550 120.400 -0.258 0.000 2.026 92 K HA -0.175 4.142 4.320 -0.004 0.000 0.208 92 K C 2.180 178.767 176.600 -0.022 0.000 1.048 92 K CA 1.954 58.055 56.287 -0.310 0.000 0.929 92 K CB -0.317 31.712 32.500 -0.784 0.000 0.713 92 K HN 0.557 nan 8.250 nan 0.000 0.439 93 S N 1.284 116.936 115.700 -0.080 0.000 2.368 93 S HA -0.152 4.316 4.470 -0.004 0.000 0.225 93 S C 1.899 176.462 174.600 -0.062 0.000 1.030 93 S CA 0.984 59.147 58.200 -0.062 0.000 0.999 93 S CB -0.189 62.919 63.200 -0.153 0.000 0.844 93 S HN 0.179 nan 8.310 nan 0.000 0.459 94 E N 0.675 120.816 120.200 -0.097 0.000 2.107 94 E HA -0.015 4.333 4.350 -0.004 0.000 0.191 94 E C 2.389 179.019 176.600 0.050 0.000 0.982 94 E CA 0.831 57.211 56.400 -0.034 0.000 0.809 94 E CB -0.671 29.039 29.700 0.017 0.000 0.756 94 E HN 0.584 nan 8.360 nan 0.000 0.459 95 C N 0.700 120.052 119.300 0.088 0.000 2.413 95 C HA -0.126 4.332 4.460 -0.004 0.000 0.277 95 C C 2.802 177.873 174.990 0.135 0.000 1.228 95 C CA 0.647 59.764 59.018 0.165 0.000 1.731 95 C CB -1.115 26.763 27.740 0.230 0.000 2.042 95 C HN 0.363 nan 8.230 nan 0.000 0.468 96 L N 0.736 122.044 121.223 0.142 0.000 2.217 96 L HA -0.069 4.269 4.340 -0.004 0.000 0.211 96 L C 2.222 179.119 176.870 0.045 0.000 1.107 96 L CA 1.003 55.905 54.840 0.103 0.000 0.783 96 L CB -0.703 41.439 42.059 0.138 0.000 0.919 96 L HN 0.432 nan 8.230 nan 0.000 0.442 97 N N 0.303 119.021 118.700 0.030 0.000 2.331 97 N HA -0.077 4.661 4.740 -0.004 0.000 0.180 97 N C 0.639 176.149 175.510 0.000 0.000 1.019 97 N CA 0.895 53.948 53.050 0.004 0.000 0.881 97 N CB 0.023 38.501 38.487 -0.015 0.000 0.972 97 N HN 0.428 nan 8.380 nan 0.000 0.435 98 N N 0.443 119.147 118.700 0.007 0.000 2.541 98 N HA 0.194 4.932 4.740 -0.004 0.000 0.297 98 N C 0.660 176.167 175.510 -0.005 0.000 1.503 98 N CA -0.040 53.003 53.050 -0.012 0.000 0.919 98 N CB 1.031 39.493 38.487 -0.041 0.000 1.305 98 N HN 0.154 nan 8.380 nan 0.000 0.501 99 I N -0.050 120.524 120.570 0.006 0.000 2.761 99 I HA -0.026 4.142 4.170 -0.004 0.000 0.261 99 I C 1.512 177.620 176.117 -0.015 0.000 1.198 99 I CA 0.839 62.140 61.300 0.003 0.000 1.482 99 I CB 0.307 38.304 38.000 -0.006 0.000 1.100 99 I HN 0.149 nan 8.210 nan 0.000 0.445 100 G N 0.661 109.451 108.800 -0.017 0.000 3.949 100 G HA2 -0.007 3.951 3.960 -0.004 0.000 0.295 100 G HA3 -0.007 3.951 3.960 -0.004 0.000 0.295 100 G C 0.030 174.932 174.900 0.003 0.000 1.286 100 G CA -0.327 44.765 45.100 -0.014 0.000 1.171 100 G HN 0.137 nan 8.290 nan 0.000 0.586 101 D N 0.087 120.484 120.400 -0.005 0.000 2.378 101 D HA 0.035 4.673 4.640 -0.004 0.000 0.238 101 D C 1.347 177.659 176.300 0.020 0.000 1.180 101 D CA 0.022 54.018 54.000 -0.007 0.000 0.895 101 D CB 1.256 42.035 40.800 -0.036 0.000 1.192 101 D HN 0.093 nan 8.370 nan 0.000 0.438 102 S N 0.603 116.316 115.700 0.021 0.000 2.402 102 S HA -0.106 4.362 4.470 -0.004 0.000 0.229 102 S C 1.067 175.695 174.600 0.045 0.000 1.021 102 S CA 0.384 58.608 58.200 0.040 0.000 0.974 102 S CB 0.006 63.224 63.200 0.030 0.000 0.800 102 S HN 0.490 nan 8.310 nan 0.000 0.484 103 S N 1.878 117.596 115.700 0.031 0.000 2.452 103 S HA 0.297 4.765 4.470 -0.004 0.000 0.284 103 S C -2.050 172.580 174.600 0.049 0.000 1.171 103 S CA -1.821 56.402 58.200 0.038 0.000 1.064 103 S CB 1.111 64.327 63.200 0.027 0.000 0.967 103 S HN -0.077 nan 8.310 nan 0.000 0.484 104 P HA -0.085 nan 4.420 nan 0.000 0.218 104 P C 1.489 178.830 177.300 0.067 0.000 1.148 104 P CA 0.459 63.602 63.100 0.071 0.000 0.822 104 P CB 0.086 31.831 31.700 0.075 0.000 0.784 105 L N -0.990 120.272 121.223 0.064 0.000 2.056 105 L HA -0.116 4.221 4.340 -0.004 0.000 0.207 105 L C 2.180 179.111 176.870 0.101 0.000 1.078 105 L CA 1.712 56.596 54.840 0.074 0.000 0.749 105 L CB -0.985 41.114 42.059 0.067 0.000 0.901 105 L HN -0.144 nan 8.230 nan 0.000 0.433 106 I N -0.044 120.578 120.570 0.087 0.000 2.142 106 I HA -0.304 3.864 4.170 -0.004 0.000 0.240 106 I C 2.679 178.865 176.117 0.115 0.000 1.078 106 I CA 1.758 63.114 61.300 0.094 0.000 1.343 106 I CB -0.435 37.551 38.000 -0.022 0.000 1.046 106 I HN 0.347 nan 8.210 nan 0.000 0.405 107 R N 1.638 122.178 120.500 0.067 0.000 2.189 107 R HA -0.038 4.300 4.340 -0.004 0.000 0.223 107 R C 2.141 178.497 176.300 0.093 0.000 1.092 107 R CA 1.201 57.342 56.100 0.068 0.000 0.989 107 R CB -0.652 29.667 30.300 0.031 0.000 0.876 107 R HN 0.291 nan 8.270 nan 0.000 0.457 108 A N 1.462 124.341 122.820 0.097 0.000 1.930 108 A HA -0.084 4.234 4.320 -0.004 0.000 0.217 108 A C 2.106 179.757 177.584 0.112 0.000 1.175 108 A CA 1.718 53.809 52.037 0.089 0.000 0.627 108 A CB -0.717 18.329 19.000 0.077 0.000 0.815 108 A HN 0.432 nan 8.150 nan 0.000 0.443 109 T N -0.523 114.133 114.554 0.171 0.000 2.857 109 T HA -0.063 4.284 4.350 -0.004 0.000 0.266 109 T C 1.842 176.696 174.700 0.258 0.000 1.048 109 T CA 1.318 63.534 62.100 0.193 0.000 1.139 109 T CB -0.395 68.637 68.868 0.274 0.000 0.874 109 T HN 0.128 nan 8.240 nan 0.000 0.455 110 V N 1.808 121.945 119.914 0.372 0.000 2.261 110 V HA -0.095 4.023 4.120 -0.004 0.000 0.246 110 V C 2.955 179.166 176.094 0.193 0.000 1.047 110 V CA 2.060 64.564 62.300 0.341 0.000 1.015 110 V CB -1.434 30.533 31.823 0.240 0.000 0.642 110 V HN 0.595 nan 8.190 nan 0.000 0.446 111 G N -0.148 108.727 108.800 0.126 0.000 2.442 111 G HA2 -0.238 3.719 3.960 -0.004 0.000 0.219 111 G HA3 -0.238 3.719 3.960 -0.004 0.000 0.219 111 G C 1.550 176.487 174.900 0.061 0.000 1.141 111 G CA 1.186 46.329 45.100 0.071 0.000 0.763 111 G HN 0.520 nan 8.290 nan 0.000 0.554 112 I N -0.248 120.359 120.570 0.063 0.000 2.353 112 I HA -0.036 4.132 4.170 -0.004 0.000 0.248 112 I C 2.512 178.648 176.117 0.033 0.000 1.119 112 I CA 0.124 61.444 61.300 0.033 0.000 1.417 112 I CB -0.181 37.831 38.000 0.019 0.000 1.078 112 I HN 0.119 nan 8.210 nan 0.000 0.421 113 L N 1.288 122.549 121.223 0.063 0.000 1.970 113 L HA -0.213 4.125 4.340 -0.004 0.000 0.212 113 L C 2.392 179.322 176.870 0.101 0.000 1.071 113 L CA 1.943 56.825 54.840 0.071 0.000 0.751 113 L CB -0.541 41.596 42.059 0.130 0.000 0.889 113 L HN 0.102 nan 8.230 nan 0.000 0.432 114 I N -0.961 119.709 120.570 0.166 0.000 2.087 114 I HA -0.435 3.733 4.170 -0.004 0.000 0.240 114 I C 2.252 178.461 176.117 0.153 0.000 1.054 114 I CA 2.153 63.602 61.300 0.249 0.000 1.311 114 I CB -0.900 37.208 38.000 0.180 0.000 1.024 114 I HN 0.319 nan 8.210 nan 0.000 0.402 115 T N -0.142 114.446 114.554 0.056 0.000 2.737 115 T HA -0.194 4.154 4.350 -0.004 0.000 0.269 115 T C 1.819 176.509 174.700 -0.017 0.000 1.040 115 T CA 2.098 64.202 62.100 0.006 0.000 1.142 115 T CB -0.544 68.319 68.868 -0.009 0.000 0.861 115 T HN 0.450 nan 8.240 nan 0.000 0.456 116 T N 1.715 116.248 114.554 -0.034 0.000 2.812 116 T HA 0.063 4.411 4.350 -0.004 0.000 0.264 116 T C 1.980 176.559 174.700 -0.202 0.000 1.042 116 T CA 0.706 62.742 62.100 -0.107 0.000 1.140 116 T CB -0.370 68.429 68.868 -0.115 0.000 0.870 116 T HN 0.241 nan 8.240 nan 0.000 0.445 117 I N 1.837 122.307 120.570 -0.166 0.000 2.226 117 I HA -0.128 4.039 4.170 -0.004 0.000 0.245 117 I C 2.803 178.855 176.117 -0.110 0.000 1.100 117 I CA 1.127 62.252 61.300 -0.290 0.000 1.374 117 I CB -0.517 37.402 38.000 -0.135 0.000 1.057 117 I HN 0.188 nan 8.210 nan 0.000 0.413 118 A N -0.754 122.118 122.820 0.088 0.000 1.933 118 A HA -0.202 4.116 4.320 -0.004 0.000 0.218 118 A C 2.487 180.066 177.584 -0.008 0.000 1.175 118 A CA 2.223 54.311 52.037 0.084 0.000 0.628 118 A CB -0.770 18.244 19.000 0.024 0.000 0.814 118 A HN 0.384 nan 8.150 nan 0.000 0.444 119 S N -0.876 114.787 115.700 -0.061 0.000 2.345 119 S HA -0.080 4.388 4.470 -0.004 0.000 0.219 119 S C 2.115 176.668 174.600 -0.078 0.000 1.031 119 S CA 1.695 59.855 58.200 -0.067 0.000 0.984 119 S CB -0.195 62.959 63.200 -0.076 0.000 0.874 119 S HN 0.545 nan 8.310 nan 0.000 0.451 120 K N 1.477 121.778 120.400 -0.166 0.000 1.973 120 K HA 0.071 4.389 4.320 -0.004 0.000 0.210 120 K C 0.996 177.581 176.600 -0.024 0.000 1.045 120 K CA 1.084 57.283 56.287 -0.148 0.000 0.937 120 K CB -0.998 31.300 32.500 -0.336 0.000 0.721 120 K HN 0.265 nan 8.250 nan 0.000 0.438 121 G N 2.672 111.429 108.800 -0.071 0.000 2.508 121 G HA2 0.049 4.007 3.960 -0.004 0.000 0.301 121 G HA3 0.049 4.007 3.960 -0.004 0.000 0.301 121 G C -0.633 174.335 174.900 0.113 0.000 0.965 121 G CA -0.376 44.845 45.100 0.202 0.000 1.339 121 G HN 0.168 nan 8.290 nan 0.000 0.455 122 E N 1.793 122.051 120.200 0.096 0.000 2.565 122 E HA -0.096 4.252 4.350 -0.004 0.000 0.268 122 E C 1.657 178.311 176.600 0.091 0.000 1.000 122 E CA -0.087 56.355 56.400 0.070 0.000 0.964 122 E CB 0.867 30.602 29.700 0.057 0.000 0.955 122 E HN 0.414 nan 8.360 nan 0.000 0.459 123 L N 2.008 123.271 121.223 0.066 0.000 2.369 123 L HA -0.302 4.035 4.340 -0.004 0.000 0.220 123 L C 2.396 179.317 176.870 0.086 0.000 1.119 123 L CA 1.204 56.084 54.840 0.066 0.000 0.780 123 L CB -0.357 41.712 42.059 0.017 0.000 0.906 123 L HN 0.391 nan 8.230 nan 0.000 0.442 124 Q N -0.365 119.485 119.800 0.083 0.000 2.050 124 Q HA -0.147 4.191 4.340 -0.004 0.000 0.202 124 Q C 1.382 177.449 176.000 0.112 0.000 0.980 124 Q CA 1.240 57.092 55.803 0.080 0.000 0.840 124 Q CB -0.408 28.369 28.738 0.065 0.000 0.898 124 Q HN 0.547 nan 8.270 nan 0.000 0.424 125 N N -0.947 117.839 118.700 0.142 0.000 2.322 125 N HA -0.023 4.715 4.740 -0.004 0.000 0.216 125 N C -0.740 174.921 175.510 0.252 0.000 1.144 125 N CA 0.096 53.240 53.050 0.157 0.000 0.830 125 N CB 0.237 38.801 38.487 0.129 0.000 1.034 125 N HN 0.239 nan 8.380 nan 0.000 0.484 126 W N 1.682 123.002 121.300 0.033 0.000 1.504 126 W HA 0.371 5.029 4.660 -0.004 0.000 0.313 126 W C -2.411 174.114 176.519 0.011 0.000 0.936 126 W CA -1.877 55.482 57.345 0.024 0.000 1.471 126 W CB 0.615 30.088 29.460 0.021 0.000 1.627 126 W HN -0.082 nan 8.180 nan 0.000 0.408 127 P HA -0.036 nan 4.420 nan 0.000 0.240 127 P C 1.051 178.352 177.300 0.002 0.000 1.190 127 P CA 1.087 64.221 63.100 0.056 0.000 0.781 127 P CB 0.497 32.235 31.700 0.063 0.000 0.931 128 D N -0.441 119.998 120.400 0.065 0.000 2.312 128 D HA -0.078 4.560 4.640 -0.004 0.000 0.211 128 D C 1.879 178.075 176.300 -0.173 0.000 0.964 128 D CA 0.308 54.319 54.000 0.019 0.000 0.877 128 D CB -0.528 40.373 40.800 0.169 0.000 0.924 128 D HN -0.013 nan 8.370 nan 0.000 0.515 129 L N 0.001 120.927 121.223 -0.495 0.000 1.943 129 L HA -0.198 4.140 4.340 -0.004 0.000 0.215 129 L C 2.327 178.941 176.870 -0.427 0.000 1.074 129 L CA 1.260 55.612 54.840 -0.814 0.000 0.759 129 L CB -0.456 40.823 42.059 -1.300 0.000 0.888 129 L HN 0.171 nan 8.230 nan 0.000 0.433 130 L N -0.290 120.748 121.223 -0.308 0.000 1.990 130 L HA -0.210 4.128 4.340 -0.004 0.000 0.213 130 L C -0.143 176.632 176.870 -0.158 0.000 1.072 130 L CA 1.556 56.278 54.840 -0.196 0.000 0.755 130 L CB -2.164 39.816 42.059 -0.132 0.000 0.889 130 L HN 0.299 nan 8.230 nan 0.000 0.432 131 P HA -0.156 nan 4.420 nan 0.000 0.218 131 P C 1.353 178.586 177.300 -0.111 0.000 1.149 131 P CA 1.102 64.135 63.100 -0.111 0.000 0.817 131 P CB 0.086 31.737 31.700 -0.083 0.000 0.785 132 K N 0.184 120.511 120.400 -0.121 0.000 2.025 132 K HA -0.054 4.264 4.320 -0.004 0.000 0.207 132 K C 1.963 178.492 176.600 -0.117 0.000 1.049 132 K CA 1.265 57.492 56.287 -0.101 0.000 0.933 132 K CB -1.152 31.297 32.500 -0.085 0.000 0.714 132 K HN 0.020 nan 8.250 nan 0.000 0.438 133 L N 0.000 121.132 121.223 -0.153 0.000 2.046 133 L HA -0.229 4.108 4.340 -0.004 0.000 0.208 133 L C 2.404 179.171 176.870 -0.171 0.000 1.077 133 L CA 1.160 55.905 54.840 -0.158 0.000 0.747 133 L CB -0.437 41.519 42.059 -0.172 0.000 0.896 133 L HN 0.306 nan 8.230 nan 0.000 0.432 134 C N -1.023 118.180 119.300 -0.162 0.000 2.432 134 C HA -0.091 4.367 4.460 -0.004 0.000 0.280 134 C C 3.004 177.897 174.990 -0.162 0.000 1.353 134 C CA 0.883 59.792 59.018 -0.181 0.000 1.766 134 C CB -0.733 26.903 27.740 -0.173 0.000 1.924 134 C HN 0.504 nan 8.230 nan 0.000 0.509 135 S N 1.223 116.848 115.700 -0.125 0.000 2.377 135 S HA 0.015 4.483 4.470 -0.004 0.000 0.223 135 S C 1.632 176.179 174.600 -0.088 0.000 1.030 135 S CA 0.944 59.089 58.200 -0.092 0.000 0.970 135 S CB -0.321 62.837 63.200 -0.070 0.000 0.830 135 S HN 0.568 nan 8.310 nan 0.000 0.473 136 L N 1.492 122.653 121.223 -0.104 0.000 2.353 136 L HA -0.006 4.332 4.340 -0.004 0.000 0.220 136 L C 2.005 178.798 176.870 -0.129 0.000 1.133 136 L CA 0.522 55.304 54.840 -0.098 0.000 0.798 136 L CB -0.543 41.456 42.059 -0.099 0.000 0.922 136 L HN 0.297 nan 8.230 nan 0.000 0.445 137 L N -0.493 120.611 121.223 -0.198 0.000 2.083 137 L HA -0.224 4.113 4.340 -0.004 0.000 0.209 137 L C 1.638 178.466 176.870 -0.069 0.000 1.083 137 L CA 1.251 55.912 54.840 -0.298 0.000 0.752 137 L CB -0.432 41.315 42.059 -0.520 0.000 0.899 137 L HN 0.358 nan 8.230 nan 0.000 0.433 138 D N -0.562 119.842 120.400 0.008 0.000 2.340 138 D HA -0.033 4.605 4.640 -0.004 0.000 0.220 138 D C 0.993 177.339 176.300 0.077 0.000 1.039 138 D CA 0.170 54.232 54.000 0.104 0.000 0.866 138 D CB 0.262 41.102 40.800 0.067 0.000 0.913 138 D HN 0.066 nan 8.370 nan 0.000 0.523 139 S N 1.212 116.935 115.700 0.038 0.000 2.596 139 S HA -0.113 4.354 4.470 -0.004 0.000 0.298 139 S C 1.359 176.005 174.600 0.077 0.000 1.255 139 S CA -0.277 57.945 58.200 0.037 0.000 1.083 139 S CB 1.238 64.442 63.200 0.007 0.000 0.837 139 S HN -0.010 nan 8.310 nan 0.000 0.499 140 E N 3.583 123.827 120.200 0.073 0.000 2.273 140 E HA -0.162 4.186 4.350 -0.004 0.000 0.198 140 E C 0.035 176.703 176.600 0.115 0.000 1.002 140 E CA 1.336 57.790 56.400 0.090 0.000 0.828 140 E CB -0.037 29.701 29.700 0.063 0.000 0.747 140 E HN 0.761 nan 8.360 nan 0.000 0.491 141 D N -0.897 119.561 120.400 0.098 0.000 2.365 141 D HA 0.020 4.658 4.640 -0.004 0.000 0.237 141 D C 0.337 176.724 176.300 0.145 0.000 1.190 141 D CA -0.199 53.870 54.000 0.115 0.000 0.867 141 D CB 0.139 40.982 40.800 0.072 0.000 1.050 141 D HN 0.112 nan 8.370 nan 0.000 0.491 142 Y N 4.633 124.992 120.300 0.097 0.000 2.030 142 Y HA -0.382 4.166 4.550 -0.004 0.000 0.272 142 Y C 1.633 177.587 175.900 0.091 0.000 1.185 142 Y CA 1.949 60.124 58.100 0.125 0.000 1.120 142 Y CB -0.252 38.293 38.460 0.142 0.000 0.955 142 Y HN 0.420 nan 8.280 nan 0.000 0.495 143 N N -0.370 118.376 118.700 0.076 0.000 2.132 143 N HA -0.177 4.561 4.740 -0.004 0.000 0.191 143 N C 1.682 177.118 175.510 -0.122 0.000 1.015 143 N CA 2.101 55.125 53.050 -0.043 0.000 0.864 143 N CB -0.701 37.844 38.487 0.095 0.000 1.006 143 N HN 0.569 nan 8.380 nan 0.000 0.430 144 T N -0.367 114.144 114.554 -0.072 0.000 2.770 144 T HA -0.113 4.235 4.350 -0.004 0.000 0.263 144 T C 2.224 176.849 174.700 -0.125 0.000 1.039 144 T CA 1.026 63.084 62.100 -0.072 0.000 1.142 144 T CB -0.903 67.947 68.868 -0.031 0.000 0.868 144 T HN 0.426 nan 8.240 nan 0.000 0.435 145 C N 2.022 121.238 119.300 -0.141 0.000 2.388 145 C HA -0.146 4.312 4.460 -0.004 0.000 0.277 145 C C 2.716 177.574 174.990 -0.221 0.000 1.210 145 C CA 1.527 60.443 59.018 -0.170 0.000 1.743 145 C CB -1.123 26.561 27.740 -0.093 0.000 2.047 145 C HN 0.621 nan 8.230 nan 0.000 0.458 146 E N -0.009 119.988 120.200 -0.338 0.000 2.058 146 E HA -0.137 4.210 4.350 -0.004 0.000 0.194 146 E C 2.288 178.759 176.600 -0.215 0.000 0.997 146 E CA 1.662 57.888 56.400 -0.291 0.000 0.801 146 E CB -0.670 28.736 29.700 -0.490 0.000 0.746 146 E HN 0.770 nan 8.360 nan 0.000 0.450 147 G N 0.844 109.538 108.800 -0.177 0.000 2.446 147 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.217 147 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.217 147 G C 1.674 176.496 174.900 -0.130 0.000 1.168 147 G CA 1.385 46.415 45.100 -0.117 0.000 0.771 147 G HN 0.432 nan 8.290 nan 0.000 0.551 148 A N 0.091 122.825 122.820 -0.144 0.000 1.873 148 A HA 0.132 4.450 4.320 -0.004 0.000 0.215 148 A C 2.251 179.735 177.584 -0.167 0.000 1.186 148 A CA 1.248 53.192 52.037 -0.155 0.000 0.616 148 A CB -0.602 18.289 19.000 -0.182 0.000 0.823 148 A HN 0.376 nan 8.150 nan 0.000 0.442 149 F N 0.470 120.200 119.950 -0.366 0.000 2.161 149 F HA -0.162 4.363 4.527 -0.004 0.000 0.300 149 F C 2.492 177.886 175.800 -0.676 0.000 1.089 149 F CA 0.582 58.287 58.000 -0.491 0.000 1.282 149 F CB -0.113 38.558 39.000 -0.549 0.000 1.010 149 F HN 0.364 nan 8.300 nan 0.000 0.485 150 G N -0.404 108.069 108.800 -0.545 0.000 2.453 150 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.215 150 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.215 150 G C 1.768 176.572 174.900 -0.161 0.000 1.201 150 G CA 0.777 45.600 45.100 -0.462 0.000 0.784 150 G HN 0.461 nan 8.290 nan 0.000 0.545 151 A N 0.170 122.921 122.820 -0.114 0.000 1.908 151 A HA -0.004 4.314 4.320 -0.004 0.000 0.218 151 A C 2.379 179.923 177.584 -0.067 0.000 1.181 151 A CA 1.701 53.696 52.037 -0.070 0.000 0.627 151 A CB -0.477 18.481 19.000 -0.070 0.000 0.818 151 A HN 0.344 nan 8.150 nan 0.000 0.445 152 L N -0.281 120.901 121.223 -0.067 0.000 2.083 152 L HA -0.191 4.147 4.340 -0.004 0.000 0.209 152 L C 2.595 179.461 176.870 -0.006 0.000 1.083 152 L CA 2.348 57.176 54.840 -0.021 0.000 0.752 152 L CB -0.789 41.278 42.059 0.013 0.000 0.899 152 L HN 0.632 nan 8.230 nan 0.000 0.433 153 Q N -0.578 119.208 119.800 -0.023 0.000 2.046 153 Q HA -0.245 4.092 4.340 -0.004 0.000 0.200 153 Q C 2.133 178.121 176.000 -0.021 0.000 0.975 153 Q CA 1.743 57.534 55.803 -0.020 0.000 0.836 153 Q CB 0.021 28.781 28.738 0.036 0.000 0.896 153 Q HN 0.466 nan 8.270 nan 0.000 0.428 154 K N 0.089 120.477 120.400 -0.019 0.000 2.103 154 K HA -0.149 4.169 4.320 -0.004 0.000 0.207 154 K C 2.052 178.632 176.600 -0.034 0.000 1.048 154 K CA 1.463 57.736 56.287 -0.023 0.000 0.930 154 K CB -0.139 32.351 32.500 -0.017 0.000 0.716 154 K HN 0.289 nan 8.250 nan 0.000 0.444 155 I N 0.504 121.053 120.570 -0.036 0.000 2.233 155 I HA -0.312 3.856 4.170 -0.004 0.000 0.243 155 I C 2.462 178.554 176.117 -0.042 0.000 1.093 155 I CA 0.826 62.102 61.300 -0.040 0.000 1.380 155 I CB -0.355 37.618 38.000 -0.045 0.000 1.067 155 I HN 0.230 nan 8.210 nan 0.000 0.413 156 C N 0.795 120.077 119.300 -0.028 0.000 2.401 156 C HA -0.191 4.267 4.460 -0.004 0.000 0.276 156 C C 2.741 177.659 174.990 -0.121 0.000 1.233 156 C CA 1.230 60.211 59.018 -0.062 0.000 1.753 156 C CB -1.004 26.729 27.740 -0.011 0.000 2.029 156 C HN 0.486 nan 8.230 nan 0.000 0.478 157 E N 0.214 120.363 120.200 -0.085 0.000 2.017 157 E HA -0.116 4.232 4.350 -0.004 0.000 0.193 157 E C 0.558 177.109 176.600 -0.082 0.000 0.997 157 E CA 0.947 57.297 56.400 -0.084 0.000 0.804 157 E CB -0.058 29.608 29.700 -0.058 0.000 0.757 157 E HN 0.611 nan 8.360 nan 0.000 0.448 168 L N 1.274 122.386 121.223 -0.185 0.000 2.455 168 L HA 0.835 5.173 4.340 -0.004 0.000 0.272 168 L C 0.679 177.421 176.870 -0.214 0.000 1.174 168 L CA 1.605 56.319 54.840 -0.209 0.000 0.869 168 L CB -0.005 41.879 42.059 -0.292 0.000 1.130 168 L HN 1.672 nan 8.230 nan 0.000 0.474 169 D N 0.765 121.168 120.400 0.005 0.000 1.847 169 D HA 0.286 4.924 4.640 -0.004 0.000 0.433 169 D C 2.018 178.428 176.300 0.185 0.000 1.046 169 D CA 1.548 55.670 54.000 0.202 0.000 1.009 169 D CB -0.237 40.644 40.800 0.136 0.000 1.834 169 D HN 1.164 nan 8.370 nan 0.000 0.542 170 R N 1.190 121.743 120.500 0.088 0.000 2.133 170 R HA -0.056 4.282 4.340 -0.004 0.000 0.245 170 R C 1.054 177.381 176.300 0.046 0.000 1.137 170 R CA 2.887 59.019 56.100 0.053 0.000 0.947 170 R CB -2.638 27.678 30.300 0.028 0.000 0.865 170 R HN 0.619 nan 8.270 nan 0.000 0.437 171 P HA 0.179 nan 4.420 nan 0.000 0.215 171 P C 1.218 178.529 177.300 0.018 0.000 1.134 171 P CA 0.298 63.413 63.100 0.024 0.000 0.894 171 P CB 0.106 31.814 31.700 0.014 0.000 0.805 172 L N 1.212 122.488 121.223 0.089 0.000 2.610 172 L HA 0.022 4.360 4.340 -0.004 0.000 0.232 172 L C 1.995 178.786 176.870 -0.132 0.000 1.149 172 L CA 0.330 55.202 54.840 0.054 0.000 0.872 172 L CB -0.757 41.460 42.059 0.263 0.000 0.992 172 L HN 0.107 nan 8.230 nan 0.000 0.447 173 N N 1.248 119.893 118.700 -0.092 0.000 2.364 173 N HA -0.207 4.531 4.740 -0.004 0.000 0.183 173 N C 1.455 176.738 175.510 -0.379 0.000 1.022 173 N CA 1.319 54.181 53.050 -0.314 0.000 0.883 173 N CB -0.340 38.104 38.487 -0.071 0.000 0.965 173 N HN 0.439 nan 8.380 nan 0.000 0.438 174 I N -0.336 120.060 120.570 -0.290 0.000 2.928 174 I HA -0.006 4.162 4.170 -0.004 0.000 0.266 174 I C 1.869 177.741 176.117 -0.408 0.000 1.234 174 I CA 0.463 61.593 61.300 -0.285 0.000 1.483 174 I CB -0.244 37.636 38.000 -0.200 0.000 1.097 174 I HN -0.069 nan 8.210 nan 0.000 0.455 175 M N 0.348 119.608 119.600 -0.566 0.000 2.562 175 M HA 0.034 4.512 4.480 -0.004 0.000 0.257 175 M C 2.224 177.850 176.300 -1.122 0.000 1.099 175 M CA 1.145 55.901 55.300 -0.906 0.000 1.099 175 M CB -0.730 31.151 32.600 -1.198 0.000 1.427 175 M HN 0.280 nan 8.290 nan 0.000 0.489 176 I N 0.909 121.014 120.570 -0.775 0.000 2.127 176 I HA -0.255 3.913 4.170 -0.004 0.000 0.241 176 I C -0.515 175.347 176.117 -0.426 0.000 1.075 176 I CA 1.772 62.754 61.300 -0.530 0.000 1.334 176 I CB -1.798 35.897 38.000 -0.508 0.000 1.040 176 I HN 0.162 nan 8.210 nan 0.000 0.405 177 P HA -0.213 nan 4.420 nan 0.000 0.216 177 P C 1.479 178.631 177.300 -0.246 0.000 1.150 177 P CA 1.518 64.335 63.100 -0.471 0.000 0.837 177 P CB -0.017 31.384 31.700 -0.499 0.000 0.786 178 K N -0.984 119.260 120.400 -0.261 0.000 2.097 178 K HA -0.084 4.234 4.320 -0.004 0.000 0.205 178 K C 1.944 178.660 176.600 0.193 0.000 1.050 178 K CA 1.167 57.403 56.287 -0.086 0.000 0.938 178 K CB -0.558 31.819 32.500 -0.205 0.000 0.718 178 K HN 0.079 nan 8.250 nan 0.000 0.442 179 F N 0.811 120.790 119.950 0.048 0.000 2.134 179 F HA -0.191 4.334 4.527 -0.004 0.000 0.299 179 F C 1.975 177.920 175.800 0.242 0.000 1.097 179 F CA 0.425 58.550 58.000 0.209 0.000 1.264 179 F CB -0.103 38.965 39.000 0.113 0.000 1.001 179 F HN -0.029 nan 8.300 nan 0.000 0.479 180 L N -0.160 121.118 121.223 0.091 0.000 2.187 180 L HA -0.257 4.081 4.340 -0.004 0.000 0.213 180 L C 2.314 179.128 176.870 -0.094 0.000 1.100 180 L CA 1.213 55.856 54.840 -0.329 0.000 0.765 180 L CB -0.614 41.227 42.059 -0.362 0.000 0.904 180 L HN 0.267 nan 8.230 nan 0.000 0.437 181 Q N -0.885 118.979 119.800 0.107 0.000 2.123 181 Q HA -0.142 4.196 4.340 -0.004 0.000 0.199 181 Q C 1.961 178.046 176.000 0.141 0.000 0.966 181 Q CA 1.300 57.141 55.803 0.064 0.000 0.845 181 Q CB -0.040 28.673 28.738 -0.042 0.000 0.907 181 Q HN 0.404 nan 8.270 nan 0.000 0.439 182 F N -0.698 119.454 119.950 0.337 0.000 2.641 182 F HA -0.064 4.461 4.527 -0.004 0.000 0.298 182 F C 1.317 177.402 175.800 0.475 0.000 1.146 182 F CA 0.643 58.899 58.000 0.428 0.000 1.464 182 F CB -0.174 39.154 39.000 0.545 0.000 1.101 182 F HN 0.074 nan 8.300 nan 0.000 0.585 183 F N 0.361 120.489 119.950 0.298 0.000 2.202 183 F HA -0.231 4.294 4.527 -0.004 0.000 0.301 183 F C 1.945 177.838 175.800 0.155 0.000 1.082 183 F CA 0.994 59.112 58.000 0.196 0.000 1.313 183 F CB -0.286 38.811 39.000 0.162 0.000 1.024 183 F HN -0.137 nan 8.300 nan 0.000 0.495 184 K N -1.183 119.412 120.400 0.326 0.000 2.404 184 K HA -0.004 4.314 4.320 -0.004 0.000 0.194 184 K C 0.111 176.807 176.600 0.159 0.000 1.023 184 K CA -0.187 56.212 56.287 0.186 0.000 1.094 184 K CB -0.157 32.413 32.500 0.117 0.000 0.841 184 K HN 0.142 nan 8.250 nan 0.000 0.523 185 H N -0.364 118.787 119.070 0.136 0.000 2.771 185 H HA 0.033 4.587 4.556 -0.004 0.000 0.364 185 H C 1.103 176.502 175.328 0.119 0.000 1.133 185 H CA 0.519 56.650 56.048 0.138 0.000 1.423 185 H CB 0.977 30.904 29.762 0.276 0.000 1.425 185 H HN -0.083 nan 8.280 nan 0.000 0.606 186 S N 1.609 117.088 115.700 -0.369 0.000 2.378 186 S HA -0.173 4.294 4.470 -0.004 0.000 0.221 186 S C 0.616 175.249 174.600 0.054 0.000 1.037 186 S CA 1.302 59.404 58.200 -0.162 0.000 1.069 186 S CB -0.443 62.604 63.200 -0.255 0.000 1.006 186 S HN 0.828 nan 8.310 nan 0.000 0.423 187 S N 2.242 118.082 115.700 0.233 0.000 2.562 187 S HA 0.159 4.627 4.470 -0.004 0.000 0.281 187 S C -2.089 172.655 174.600 0.239 0.000 1.333 187 S CA -1.062 57.287 58.200 0.248 0.000 1.052 187 S CB 0.870 64.287 63.200 0.362 0.000 0.884 187 S HN 0.071 nan 8.310 nan 0.000 0.506 188 P HA 0.123 nan 4.420 nan 0.000 0.227 188 P C 1.156 178.462 177.300 0.011 0.000 1.161 188 P CA 0.532 63.664 63.100 0.053 0.000 0.788 188 P CB 0.086 31.795 31.700 0.015 0.000 0.822 189 K N 0.067 120.497 120.400 0.050 0.000 2.097 189 K HA -0.070 4.247 4.320 -0.004 0.000 0.206 189 K C 1.924 178.477 176.600 -0.077 0.000 1.049 189 K CA 1.204 57.475 56.287 -0.026 0.000 0.933 189 K CB -0.837 31.726 32.500 0.105 0.000 0.717 189 K HN 0.053 nan 8.250 nan 0.000 0.442 190 I N 0.845 121.464 120.570 0.082 0.000 2.235 190 I HA -0.235 3.932 4.170 -0.004 0.000 0.241 190 I C 2.241 178.278 176.117 -0.132 0.000 1.085 190 I CA 1.073 62.386 61.300 0.021 0.000 1.378 190 I CB -0.219 37.819 38.000 0.062 0.000 1.076 190 I HN 0.187 nan 8.210 nan 0.000 0.415 191 R N 0.291 120.792 120.500 0.002 0.000 2.193 191 R HA -0.122 4.216 4.340 -0.004 0.000 0.229 191 R C 2.194 178.325 176.300 -0.281 0.000 1.110 191 R CA 1.485 57.542 56.100 -0.071 0.000 0.988 191 R CB -0.836 29.464 30.300 -0.001 0.000 0.871 191 R HN 0.248 nan 8.270 nan 0.000 0.458 192 S N 0.994 116.527 115.700 -0.279 0.000 2.343 192 S HA -0.205 4.263 4.470 -0.004 0.000 0.219 192 S C 1.893 176.238 174.600 -0.425 0.000 1.033 192 S CA 1.044 59.037 58.200 -0.344 0.000 1.014 192 S CB -0.394 62.596 63.200 -0.350 0.000 0.915 192 S HN 0.515 nan 8.310 nan 0.000 0.435 193 H N 1.348 120.130 119.070 -0.481 0.000 2.353 193 H HA -0.057 4.497 4.556 -0.004 0.000 0.298 193 H C 2.562 177.387 175.328 -0.838 0.000 1.103 193 H CA 1.555 57.174 56.048 -0.715 0.000 1.293 193 H CB -1.047 28.044 29.762 -1.117 0.000 1.372 193 H HN 0.580 nan 8.280 nan 0.000 0.501 194 A N 0.692 123.072 122.820 -0.734 0.000 1.883 194 A HA -0.131 4.187 4.320 -0.004 0.000 0.217 194 A C 2.906 180.510 177.584 0.032 0.000 1.186 194 A CA 1.966 53.867 52.037 -0.227 0.000 0.624 194 A CB -0.886 18.265 19.000 0.253 0.000 0.822 194 A HN 0.227 nan 8.150 nan 0.000 0.444 195 V N -0.140 119.629 119.914 -0.242 0.000 2.358 195 V HA -0.209 3.909 4.120 -0.004 0.000 0.246 195 V C 3.047 179.144 176.094 0.005 0.000 1.047 195 V CA 1.794 64.008 62.300 -0.144 0.000 1.035 195 V CB -1.386 30.211 31.823 -0.377 0.000 0.658 195 V HN 0.623 nan 8.190 nan 0.000 0.452 196 A N -0.704 122.051 122.820 -0.109 0.000 1.892 196 A HA -0.298 4.020 4.320 -0.004 0.000 0.218 196 A C 2.388 179.948 177.584 -0.041 0.000 1.188 196 A CA 2.475 54.466 52.037 -0.077 0.000 0.631 196 A CB -1.238 17.689 19.000 -0.121 0.000 0.822 196 A HN 0.588 nan 8.150 nan 0.000 0.447 197 C N -1.376 117.860 119.300 -0.105 0.000 2.432 197 C HA -0.056 4.402 4.460 -0.004 0.000 0.277 197 C C 2.770 177.857 174.990 0.162 0.000 1.249 197 C CA 1.061 60.015 59.018 -0.107 0.000 1.725 197 C CB -1.242 26.134 27.740 -0.606 0.000 2.028 197 C HN 0.471 nan 8.230 nan 0.000 0.477 198 V N 2.003 122.013 119.914 0.161 0.000 2.407 198 V HA -0.193 3.925 4.120 -0.004 0.000 0.248 198 V C 2.116 178.320 176.094 0.184 0.000 1.055 198 V CA 1.944 64.361 62.300 0.195 0.000 1.049 198 V CB -0.754 31.065 31.823 -0.007 0.000 0.662 198 V HN 0.532 nan 8.190 nan 0.000 0.455 199 N N 0.327 119.130 118.700 0.171 0.000 2.205 199 N HA -0.173 4.565 4.740 -0.004 0.000 0.186 199 N C 1.752 177.303 175.510 0.069 0.000 1.015 199 N CA 1.013 54.153 53.050 0.150 0.000 0.862 199 N CB -0.342 38.221 38.487 0.126 0.000 0.986 199 N HN 0.477 nan 8.380 nan 0.000 0.429 200 Q N -0.705 119.098 119.800 0.004 0.000 2.541 200 Q HA 0.037 4.375 4.340 -0.004 0.000 0.215 200 Q C 0.621 176.364 176.000 -0.429 0.000 0.977 200 Q CA 0.580 56.243 55.803 -0.233 0.000 0.934 200 Q CB -0.180 28.336 28.738 -0.370 0.000 0.988 200 Q HN 0.486 nan 8.270 nan 0.000 0.521 201 F N -1.596 118.348 119.950 -0.011 0.000 2.728 201 F HA 0.235 4.760 4.527 -0.004 0.000 0.314 201 F C 1.696 177.482 175.800 -0.023 0.000 1.094 201 F CA -0.365 57.623 58.000 -0.019 0.000 1.217 201 F CB 0.127 39.111 39.000 -0.027 0.000 1.056 201 F HN -0.075 nan 8.300 nan 0.000 0.577 202 I N 0.414 121.061 120.570 0.128 0.000 2.113 202 I HA -0.307 3.861 4.170 -0.004 0.000 0.238 202 I C 2.155 178.319 176.117 0.077 0.000 1.070 202 I CA 1.781 63.148 61.300 0.110 0.000 1.332 202 I CB -0.493 37.596 38.000 0.148 0.000 1.044 202 I HN 0.058 nan 8.210 nan 0.000 0.402 203 I N 0.723 121.319 120.570 0.043 0.000 2.127 203 I HA -0.354 3.814 4.170 -0.004 0.000 0.241 203 I C 2.880 179.010 176.117 0.021 0.000 1.075 203 I CA 1.817 63.129 61.300 0.019 0.000 1.334 203 I CB -0.701 37.292 38.000 -0.011 0.000 1.040 203 I HN 0.322 nan 8.210 nan 0.000 0.405 204 S N 1.151 116.862 115.700 0.019 0.000 2.381 204 S HA -0.340 4.128 4.470 -0.004 0.000 0.230 204 S C 1.574 176.204 174.600 0.051 0.000 1.052 204 S CA 1.951 60.171 58.200 0.034 0.000 1.068 204 S CB -0.329 62.905 63.200 0.057 0.000 0.918 204 S HN 0.501 nan 8.310 nan 0.000 0.448 205 R N 0.808 121.348 120.500 0.067 0.000 3.527 205 R HA -0.107 4.231 4.340 -0.004 0.000 0.288 205 R C -0.712 175.620 176.300 0.052 0.000 1.146 205 R CA 0.681 56.816 56.100 0.057 0.000 0.778 205 R CB -2.494 27.831 30.300 0.042 0.000 1.289 205 R HN 0.664 nan 8.270 nan 0.000 0.454 206 T N -0.249 114.345 114.554 0.067 0.000 2.900 206 T HA -0.046 4.301 4.350 -0.004 0.000 0.307 206 T C 1.280 175.994 174.700 0.023 0.000 1.065 206 T CA -0.040 62.088 62.100 0.047 0.000 1.105 206 T CB 1.419 70.323 68.868 0.059 0.000 0.979 206 T HN 0.359 nan 8.240 nan 0.000 0.544 207 Q N 1.393 121.201 119.800 0.014 0.000 2.112 207 Q HA -0.211 4.126 4.340 -0.004 0.000 0.206 207 Q C 2.436 178.445 176.000 0.014 0.000 0.987 207 Q CA 1.782 57.592 55.803 0.011 0.000 0.858 207 Q CB -0.512 28.229 28.738 0.005 0.000 0.905 207 Q HN 0.889 nan 8.270 nan 0.000 0.420 208 A N 0.165 122.974 122.820 -0.019 0.000 1.978 208 A HA -0.191 4.127 4.320 -0.004 0.000 0.220 208 A C 1.891 179.457 177.584 -0.030 0.000 1.170 208 A CA 1.452 53.462 52.037 -0.045 0.000 0.636 208 A CB -0.538 18.371 19.000 -0.152 0.000 0.810 208 A HN 0.485 nan 8.150 nan 0.000 0.448 209 L N -1.437 119.759 121.223 -0.046 0.000 2.168 209 L HA 0.077 4.414 4.340 -0.004 0.000 0.203 209 L C 2.163 179.062 176.870 0.048 0.000 1.078 209 L CA 1.453 56.265 54.840 -0.048 0.000 0.780 209 L CB -0.460 41.551 42.059 -0.080 0.000 0.939 209 L HN 0.246 nan 8.230 nan 0.000 0.451 210 M N -0.766 118.863 119.600 0.048 0.000 2.358 210 M HA -0.121 4.357 4.480 -0.004 0.000 0.264 210 M C 2.104 178.429 176.300 0.042 0.000 1.064 210 M CA 1.345 56.676 55.300 0.052 0.000 1.093 210 M CB -1.037 31.585 32.600 0.037 0.000 1.401 210 M HN 0.277 nan 8.290 nan 0.000 0.440 211 L N -1.354 119.903 121.223 0.056 0.000 2.478 211 L HA -0.117 4.221 4.340 -0.004 0.000 0.223 211 L C 1.316 178.080 176.870 -0.176 0.000 1.140 211 L CA 0.633 55.455 54.840 -0.031 0.000 0.842 211 L CB -0.319 41.731 42.059 -0.015 0.000 0.953 211 L HN 0.401 nan 8.230 nan 0.000 0.452 212 H N -1.120 117.934 119.070 -0.027 0.000 2.649 212 H HA 0.178 4.732 4.556 -0.004 0.000 0.258 212 H C 1.729 177.073 175.328 0.027 0.000 1.165 212 H CA -0.027 56.008 56.048 -0.021 0.000 1.006 212 H CB 0.679 30.404 29.762 -0.062 0.000 1.743 212 H HN 0.309 nan 8.280 nan 0.000 0.609 213 I N -0.536 120.111 120.570 0.128 0.000 2.127 213 I HA -0.226 3.942 4.170 -0.004 0.000 0.241 213 I C 1.874 178.054 176.117 0.105 0.000 1.075 213 I CA 1.452 62.846 61.300 0.158 0.000 1.334 213 I CB -0.259 37.809 38.000 0.114 0.000 1.040 213 I HN -0.073 nan 8.210 nan 0.000 0.405 214 D N 0.867 121.296 120.400 0.048 0.000 2.133 214 D HA -0.215 4.423 4.640 -0.004 0.000 0.195 214 D C 2.349 178.647 176.300 -0.003 0.000 0.997 214 D CA 2.029 56.036 54.000 0.012 0.000 0.840 214 D CB -0.226 40.584 40.800 0.017 0.000 0.947 214 D HN 0.448 nan 8.370 nan 0.000 0.452 215 S N -0.429 115.292 115.700 0.035 0.000 2.383 215 S HA -0.156 4.312 4.470 -0.004 0.000 0.227 215 S C 1.738 176.366 174.600 0.048 0.000 1.026 215 S CA 0.463 58.687 58.200 0.039 0.000 0.981 215 S CB -0.306 62.942 63.200 0.079 0.000 0.818 215 S HN 0.179 nan 8.310 nan 0.000 0.472 216 F N 2.088 121.980 119.950 -0.097 0.000 2.113 216 F HA 0.086 4.611 4.527 -0.003 0.000 0.297 216 F C 1.785 177.503 175.800 -0.137 0.000 1.103 216 F CA 1.059 58.981 58.000 -0.131 0.000 1.248 216 F CB -0.816 38.141 39.000 -0.072 0.000 0.999 216 F HN 0.211 nan 8.300 nan 0.000 0.475 217 I N 0.395 120.765 120.570 -0.334 0.000 2.142 217 I HA -0.310 3.858 4.170 -0.004 0.000 0.240 217 I C 2.356 178.027 176.117 -0.744 0.000 1.078 217 I CA 1.850 62.737 61.300 -0.687 0.000 1.343 217 I CB -0.582 37.081 38.000 -0.561 0.000 1.046 217 I HN 0.146 nan 8.210 nan 0.000 0.405 218 E N 0.592 120.561 120.200 -0.385 0.000 2.118 218 E HA -0.230 4.117 4.350 -0.004 0.000 0.195 218 E C 1.838 178.375 176.600 -0.106 0.000 0.992 218 E CA 1.141 57.423 56.400 -0.196 0.000 0.804 218 E CB -0.112 29.561 29.700 -0.046 0.000 0.741 218 E HN 0.421 nan 8.360 nan 0.000 0.458 219 N N 0.239 118.901 118.700 -0.064 0.000 2.331 219 N HA -0.064 4.674 4.740 -0.004 0.000 0.180 219 N C 1.749 177.342 175.510 0.138 0.000 1.019 219 N CA 0.584 53.702 53.050 0.113 0.000 0.881 219 N CB 0.063 38.667 38.487 0.196 0.000 0.972 219 N HN 0.180 nan 8.380 nan 0.000 0.435 220 L N -0.373 120.781 121.223 -0.114 0.000 2.023 220 L HA -0.086 4.252 4.340 -0.004 0.000 0.205 220 L C 1.887 178.678 176.870 -0.132 0.000 1.073 220 L CA 0.896 55.613 54.840 -0.205 0.000 0.745 220 L CB -0.407 41.345 42.059 -0.512 0.000 0.900 220 L HN -0.001 nan 8.230 nan 0.000 0.435 221 F N 0.485 120.311 119.950 -0.207 0.000 2.095 221 F HA -0.207 4.318 4.527 -0.003 0.000 0.298 221 F C 2.656 178.354 175.800 -0.170 0.000 1.104 221 F CA 0.935 58.792 58.000 -0.237 0.000 1.232 221 F CB -1.456 37.404 39.000 -0.232 0.000 0.987 221 F HN 0.035 nan 8.300 nan 0.000 0.475 222 A N -0.625 122.252 122.820 0.095 0.000 2.178 222 A HA -0.072 4.246 4.320 -0.004 0.000 0.218 222 A C 2.147 179.747 177.584 0.027 0.000 1.157 222 A CA 1.118 53.189 52.037 0.056 0.000 0.689 222 A CB -0.878 18.164 19.000 0.069 0.000 0.787 222 A HN 0.447 nan 8.150 nan 0.000 0.465 223 L N -1.944 119.281 121.223 0.003 0.000 2.664 223 L HA 0.166 4.503 4.340 -0.004 0.000 0.233 223 L C 2.616 179.449 176.870 -0.061 0.000 1.113 223 L CA 0.455 55.278 54.840 -0.029 0.000 0.896 223 L CB -0.102 41.920 42.059 -0.062 0.000 1.163 223 L HN 0.384 nan 8.230 nan 0.000 0.497 224 A N 0.717 123.463 122.820 -0.123 0.000 1.869 224 A HA -0.246 4.072 4.320 -0.004 0.000 0.218 224 A C 2.148 179.701 177.584 -0.053 0.000 1.203 224 A CA 2.163 54.036 52.037 -0.273 0.000 0.638 224 A CB -1.326 17.341 19.000 -0.555 0.000 0.831 224 A HN 0.418 nan 8.150 nan 0.000 0.450 225 G N -0.825 107.957 108.800 -0.030 0.000 2.776 225 G HA2 0.074 4.032 3.960 -0.004 0.000 0.209 225 G HA3 0.074 4.032 3.960 -0.004 0.000 0.209 225 G C 0.243 175.162 174.900 0.032 0.000 1.145 225 G CA 0.628 45.747 45.100 0.032 0.000 0.791 225 G HN 0.508 nan 8.290 nan 0.000 0.530 226 D N 0.118 120.529 120.400 0.018 0.000 2.488 226 D HA -0.010 4.628 4.640 -0.004 0.000 0.238 226 D C 1.410 177.718 176.300 0.013 0.000 1.138 226 D CA -0.018 53.987 54.000 0.008 0.000 0.873 226 D CB 0.655 41.448 40.800 -0.011 0.000 1.183 226 D HN 0.317 nan 8.370 nan 0.000 0.458 227 E N 2.172 122.376 120.200 0.007 0.000 2.150 227 E HA -0.186 4.162 4.350 -0.004 0.000 0.193 227 E C 0.032 176.630 176.600 -0.003 0.000 0.985 227 E CA 0.352 56.755 56.400 0.005 0.000 0.814 227 E CB 0.181 29.882 29.700 0.002 0.000 0.752 227 E HN 0.449 nan 8.360 nan 0.000 0.466 228 E N 0.977 121.171 120.200 -0.010 0.000 2.366 228 E HA -0.010 4.338 4.350 -0.004 0.000 0.266 228 E C -1.974 174.611 176.600 -0.026 0.000 1.015 228 E CA -1.555 54.833 56.400 -0.020 0.000 0.906 228 E CB 1.221 30.903 29.700 -0.029 0.000 0.979 228 E HN -0.042 nan 8.360 nan 0.000 0.443 229 P HA -0.204 nan 4.420 nan 0.000 0.216 229 P C 0.784 178.059 177.300 -0.042 0.000 1.157 229 P CA 1.498 64.581 63.100 -0.029 0.000 0.880 229 P CB 0.228 31.911 31.700 -0.028 0.000 0.791 230 E N -0.635 119.530 120.200 -0.059 0.000 2.118 230 E HA -0.143 4.205 4.350 -0.004 0.000 0.195 230 E C 1.818 178.359 176.600 -0.100 0.000 0.992 230 E CA 1.027 57.375 56.400 -0.086 0.000 0.804 230 E CB -0.825 28.805 29.700 -0.116 0.000 0.741 230 E HN -0.084 nan 8.360 nan 0.000 0.458 231 V N 0.414 120.270 119.914 -0.095 0.000 2.244 231 V HA -0.242 3.876 4.120 -0.004 0.000 0.244 231 V C 2.421 178.476 176.094 -0.066 0.000 1.042 231 V CA 2.143 64.379 62.300 -0.107 0.000 1.006 231 V CB -0.504 31.261 31.823 -0.098 0.000 0.641 231 V HN 0.243 nan 8.190 nan 0.000 0.446 232 R N -0.021 120.465 120.500 -0.023 0.000 2.103 232 R HA -0.243 4.095 4.340 -0.004 0.000 0.242 232 R C 2.482 178.791 176.300 0.015 0.000 1.142 232 R CA 2.021 58.139 56.100 0.029 0.000 0.960 232 R CB -0.403 29.919 30.300 0.037 0.000 0.858 232 R HN 0.490 nan 8.270 nan 0.000 0.439 233 K N 0.740 121.130 120.400 -0.018 0.000 2.032 233 K HA -0.196 4.122 4.320 -0.004 0.000 0.209 233 K C 1.424 178.016 176.600 -0.014 0.000 1.048 233 K CA 2.157 58.432 56.287 -0.020 0.000 0.927 233 K CB -0.116 32.365 32.500 -0.030 0.000 0.712 233 K HN 0.214 nan 8.250 nan 0.000 0.441 234 N N -0.251 118.428 118.700 -0.035 0.000 2.270 234 N HA -0.091 4.647 4.740 -0.004 0.000 0.181 234 N C 1.667 177.175 175.510 -0.005 0.000 1.016 234 N CA 0.788 53.820 53.050 -0.030 0.000 0.870 234 N CB 0.212 38.653 38.487 -0.077 0.000 0.979 234 N HN -0.046 nan 8.380 nan 0.000 0.431 235 V N 0.324 120.229 119.914 -0.015 0.000 2.343 235 V HA -0.296 3.822 4.120 -0.004 0.000 0.247 235 V C 2.287 178.410 176.094 0.047 0.000 1.051 235 V CA 1.278 63.576 62.300 -0.003 0.000 1.036 235 V CB -0.574 31.247 31.823 -0.003 0.000 0.654 235 V HN 0.504 nan 8.190 nan 0.000 0.451 236 C N -0.492 118.851 119.300 0.072 0.000 2.436 236 C HA -0.162 4.296 4.460 -0.004 0.000 0.277 236 C C 2.962 177.987 174.990 0.058 0.000 1.241 236 C CA 1.488 60.542 59.018 0.060 0.000 1.721 236 C CB -1.050 26.693 27.740 0.005 0.000 2.043 236 C HN 0.547 nan 8.230 nan 0.000 0.472 237 R N 0.853 121.382 120.500 0.048 0.000 2.091 237 R HA -0.147 4.190 4.340 -0.004 0.000 0.238 237 R C 2.215 178.563 176.300 0.081 0.000 1.136 237 R CA 1.772 57.906 56.100 0.055 0.000 0.959 237 R CB -0.403 29.920 30.300 0.038 0.000 0.856 237 R HN 0.518 nan 8.270 nan 0.000 0.437 238 A N 0.740 123.617 122.820 0.096 0.000 1.883 238 A HA -0.158 4.160 4.320 -0.004 0.000 0.217 238 A C 2.152 179.794 177.584 0.097 0.000 1.186 238 A CA 1.345 53.467 52.037 0.142 0.000 0.624 238 A CB -0.572 18.519 19.000 0.151 0.000 0.822 238 A HN 0.355 nan 8.150 nan 0.000 0.444 239 L N -0.570 120.695 121.223 0.070 0.000 2.141 239 L HA -0.125 4.212 4.340 -0.004 0.000 0.209 239 L C 2.459 179.452 176.870 0.204 0.000 1.094 239 L CA 0.655 55.562 54.840 0.111 0.000 0.763 239 L CB -0.348 41.772 42.059 0.103 0.000 0.908 239 L HN 0.255 nan 8.230 nan 0.000 0.437 240 V N -0.486 119.536 119.914 0.180 0.000 2.307 240 V HA -0.299 3.819 4.120 -0.004 0.000 0.245 240 V C 2.413 178.535 176.094 0.045 0.000 1.045 240 V CA 1.834 64.209 62.300 0.125 0.000 1.024 240 V CB -0.337 31.538 31.823 0.087 0.000 0.651 240 V HN 0.373 nan 8.190 nan 0.000 0.449 241 M N -0.771 118.867 119.600 0.064 0.000 2.117 241 M HA -0.134 4.344 4.480 -0.004 0.000 0.262 241 M C 2.079 178.419 176.300 0.066 0.000 1.065 241 M CA 1.827 57.161 55.300 0.056 0.000 1.114 241 M CB -0.378 32.270 32.600 0.079 0.000 1.361 241 M HN 0.241 nan 8.290 nan 0.000 0.408 242 L N -0.319 120.961 121.223 0.095 0.000 2.362 242 L HA -0.191 4.147 4.340 -0.004 0.000 0.219 242 L C 2.263 179.168 176.870 0.057 0.000 1.134 242 L CA 0.165 55.060 54.840 0.092 0.000 0.807 242 L CB -0.432 41.680 42.059 0.089 0.000 0.927 242 L HN 0.294 nan 8.230 nan 0.000 0.447 243 L N -0.174 121.068 121.223 0.031 0.000 2.046 243 L HA -0.187 4.151 4.340 -0.004 0.000 0.208 243 L C 2.337 179.183 176.870 -0.041 0.000 1.077 243 L CA 1.776 56.597 54.840 -0.032 0.000 0.747 243 L CB -0.398 41.560 42.059 -0.168 0.000 0.896 243 L HN 0.246 nan 8.230 nan 0.000 0.432 244 E N -1.110 119.070 120.200 -0.033 0.000 2.012 244 E HA -0.042 4.306 4.350 -0.004 0.000 0.192 244 E C 0.491 177.089 176.600 -0.003 0.000 0.977 244 E CA 0.456 56.840 56.400 -0.027 0.000 0.832 244 E CB -0.247 29.436 29.700 -0.028 0.000 0.790 244 E HN 0.102 nan 8.360 nan 0.000 0.466 245 V N 2.131 122.053 119.914 0.013 0.000 2.540 245 V HA -0.043 4.075 4.120 -0.004 0.000 0.297 245 V C 0.537 176.655 176.094 0.041 0.000 1.024 245 V CA 0.633 62.950 62.300 0.028 0.000 1.105 245 V CB 0.136 31.985 31.823 0.042 0.000 0.938 245 V HN 0.496 nan 8.190 nan 0.000 0.482 246 R N 3.562 124.084 120.500 0.038 0.000 3.184 246 R HA -0.207 4.130 4.340 -0.004 0.000 0.257 246 R C 0.818 177.147 176.300 0.048 0.000 0.999 246 R CA 0.788 56.917 56.100 0.047 0.000 0.670 246 R CB -1.073 29.266 30.300 0.065 0.000 1.197 246 R HN 0.812 nan 8.270 nan 0.000 0.419 247 M N 1.165 120.786 119.600 0.035 0.000 2.159 247 M HA -0.122 4.356 4.480 -0.004 0.000 0.263 247 M C 1.583 177.914 176.300 0.052 0.000 1.063 247 M CA 2.518 57.840 55.300 0.036 0.000 1.110 247 M CB -0.132 32.477 32.600 0.016 0.000 1.374 247 M HN 0.495 nan 8.290 nan 0.000 0.411 248 D N -0.697 119.730 120.400 0.046 0.000 2.190 248 D HA -0.233 4.405 4.640 -0.004 0.000 0.200 248 D C 1.695 178.036 176.300 0.069 0.000 0.992 248 D CA 1.284 55.313 54.000 0.048 0.000 0.854 248 D CB -0.719 40.104 40.800 0.038 0.000 0.936 248 D HN 0.346 nan 8.370 nan 0.000 0.462 249 R N -0.318 120.233 120.500 0.084 0.000 2.200 249 R HA 0.232 4.570 4.340 -0.004 0.000 0.208 249 R C 2.289 178.707 176.300 0.196 0.000 1.033 249 R CA 0.128 56.298 56.100 0.117 0.000 1.000 249 R CB -0.211 30.141 30.300 0.088 0.000 0.906 249 R HN 0.356 nan 8.270 nan 0.000 0.462 250 L N -0.169 121.158 121.223 0.175 0.000 2.375 250 L HA -0.011 4.326 4.340 -0.004 0.000 0.215 250 L C 2.065 179.066 176.870 0.220 0.000 1.108 250 L CA -0.003 54.984 54.840 0.245 0.000 0.830 250 L CB -0.274 41.897 42.059 0.187 0.000 0.959 250 L HN 0.031 nan 8.230 nan 0.000 0.457 251 L N 1.243 122.544 121.223 0.129 0.000 1.990 251 L HA -0.164 4.173 4.340 -0.004 0.000 0.213 251 L C -0.289 176.605 176.870 0.039 0.000 1.072 251 L CA 2.352 57.234 54.840 0.071 0.000 0.755 251 L CB -1.357 40.728 42.059 0.045 0.000 0.889 251 L HN 0.123 nan 8.230 nan 0.000 0.432 252 P HA -0.143 nan 4.420 nan 0.000 0.219 252 P C 0.627 177.811 177.300 -0.194 0.000 1.146 252 P CA 1.609 64.628 63.100 -0.135 0.000 0.808 252 P CB -0.108 31.438 31.700 -0.258 0.000 0.779 253 H N -3.261 115.858 119.070 0.082 0.000 2.551 253 H HA 0.217 4.771 4.556 -0.004 0.000 0.271 253 H C 1.705 177.048 175.328 0.025 0.000 0.984 253 H CA -0.143 55.928 56.048 0.040 0.000 1.164 253 H CB -0.180 29.632 29.762 0.084 0.000 1.437 253 H HN -0.058 nan 8.280 nan 0.000 0.550 254 M N 0.219 119.886 119.600 0.112 0.000 2.106 254 M HA -0.209 4.269 4.480 -0.004 0.000 0.259 254 M C 1.619 177.924 176.300 0.009 0.000 1.068 254 M CA 1.821 57.153 55.300 0.054 0.000 1.100 254 M CB -0.292 32.291 32.600 -0.028 0.000 1.351 254 M HN 0.385 nan 8.290 nan 0.000 0.404 255 H N -0.357 118.775 119.070 0.104 0.000 2.456 255 H HA -0.028 4.526 4.556 -0.003 0.000 0.296 255 H C 1.811 177.179 175.328 0.068 0.000 1.079 255 H CA 1.493 57.613 56.048 0.120 0.000 1.322 255 H CB -0.385 29.471 29.762 0.157 0.000 1.388 255 H HN 0.578 nan 8.280 nan 0.000 0.538 256 N N 0.363 119.138 118.700 0.125 0.000 2.250 256 N HA -0.056 4.681 4.740 -0.004 0.000 0.181 256 N C 2.038 177.541 175.510 -0.013 0.000 1.017 256 N CA 0.505 53.567 53.050 0.020 0.000 0.866 256 N CB 0.213 38.640 38.487 -0.100 0.000 0.985 256 N HN 0.282 nan 8.380 nan 0.000 0.429 257 I N 0.966 121.520 120.570 -0.025 0.000 2.179 257 I HA -0.215 3.953 4.170 -0.004 0.000 0.242 257 I C 2.309 178.330 176.117 -0.160 0.000 1.088 257 I CA 0.771 62.035 61.300 -0.061 0.000 1.357 257 I CB -0.309 37.688 38.000 -0.004 0.000 1.051 257 I HN -0.128 nan 8.210 nan 0.000 0.409 258 V N 0.803 120.656 119.914 -0.103 0.000 2.255 258 V HA -0.320 3.798 4.120 -0.004 0.000 0.247 258 V C 2.379 178.471 176.094 -0.004 0.000 1.051 258 V CA 2.137 64.390 62.300 -0.078 0.000 1.018 258 V CB -0.701 31.027 31.823 -0.157 0.000 0.641 258 V HN 0.451 nan 8.190 nan 0.000 0.445 259 E N -1.231 118.985 120.200 0.028 0.000 2.153 259 E HA -0.246 4.102 4.350 -0.004 0.000 0.194 259 E C 2.078 178.724 176.600 0.076 0.000 0.988 259 E CA 1.559 58.015 56.400 0.093 0.000 0.811 259 E CB -0.231 29.550 29.700 0.135 0.000 0.746 259 E HN 0.768 nan 8.360 nan 0.000 0.466 260 Y N 0.892 121.147 120.300 -0.075 0.000 2.163 260 Y HA -0.194 4.354 4.550 -0.004 0.000 0.288 260 Y C 2.095 177.924 175.900 -0.119 0.000 1.136 260 Y CA 1.362 59.403 58.100 -0.100 0.000 1.147 260 Y CB -0.001 38.377 38.460 -0.136 0.000 0.987 260 Y HN -0.050 nan 8.280 nan 0.000 0.509 261 M N -0.640 118.764 119.600 -0.327 0.000 2.175 261 M HA -0.135 4.343 4.480 -0.004 0.000 0.264 261 M C 2.182 178.462 176.300 -0.033 0.000 1.063 261 M CA 1.080 56.099 55.300 -0.468 0.000 1.119 261 M CB -1.369 30.616 32.600 -1.026 0.000 1.377 261 M HN 0.417 nan 8.290 nan 0.000 0.415 262 L N 0.674 122.027 121.223 0.217 0.000 2.042 262 L HA -0.190 4.148 4.340 -0.004 0.000 0.210 262 L C 2.446 179.358 176.870 0.070 0.000 1.076 262 L CA 1.859 56.865 54.840 0.276 0.000 0.749 262 L CB -0.646 41.512 42.059 0.165 0.000 0.893 262 L HN 0.325 nan 8.230 nan 0.000 0.432 263 Q N -1.172 118.607 119.800 -0.036 0.000 2.311 263 Q HA -0.053 4.284 4.340 -0.004 0.000 0.203 263 Q C 2.178 178.091 176.000 -0.145 0.000 0.954 263 Q CA 0.536 56.291 55.803 -0.080 0.000 0.885 263 Q CB 0.097 28.790 28.738 -0.075 0.000 0.963 263 Q HN 0.392 nan 8.270 nan 0.000 0.471 264 R N -0.310 120.035 120.500 -0.258 0.000 2.119 264 R HA 0.037 4.375 4.340 -0.004 0.000 0.222 264 R C 2.033 178.267 176.300 -0.109 0.000 1.088 264 R CA 0.862 56.795 56.100 -0.279 0.000 0.984 264 R CB -0.846 29.153 30.300 -0.502 0.000 0.884 264 R HN 0.192 nan 8.270 nan 0.000 0.447 265 T N 2.048 116.603 114.554 0.001 0.000 2.881 265 T HA -0.131 4.216 4.350 -0.004 0.000 0.270 265 T C 1.169 175.889 174.700 0.033 0.000 1.068 265 T CA 1.182 63.344 62.100 0.104 0.000 1.131 265 T CB -0.048 69.028 68.868 0.347 0.000 0.871 265 T HN 0.468 nan 8.240 nan 0.000 0.479 266 Q N 1.108 120.906 119.800 -0.002 0.000 2.302 266 Q HA 0.308 4.646 4.340 -0.004 0.000 0.332 266 Q C -0.614 175.364 176.000 -0.037 0.000 0.913 266 Q CA -0.415 55.374 55.803 -0.024 0.000 1.098 266 Q CB 0.226 28.948 28.738 -0.028 0.000 1.236 266 Q HN 0.264 nan 8.270 nan 0.000 0.436 267 D N 1.135 121.508 120.400 -0.045 0.000 2.357 267 D HA -0.023 4.614 4.640 -0.004 0.000 0.242 267 D C 0.939 177.217 176.300 -0.037 0.000 1.153 267 D CA 0.090 54.060 54.000 -0.049 0.000 0.918 267 D CB 1.223 41.986 40.800 -0.062 0.000 1.181 267 D HN 0.222 nan 8.370 nan 0.000 0.435 268 Q N 0.948 120.729 119.800 -0.032 0.000 2.030 268 Q HA -0.143 4.195 4.340 -0.004 0.000 0.204 268 Q C 0.505 176.490 176.000 -0.026 0.000 0.986 268 Q CA 1.093 56.880 55.803 -0.027 0.000 0.843 268 Q CB -0.237 28.487 28.738 -0.022 0.000 0.904 268 Q HN 0.567 nan 8.270 nan 0.000 0.420 269 D N 0.835 121.219 120.400 -0.027 0.000 2.348 269 D HA -0.014 4.624 4.640 -0.004 0.000 0.253 269 D C 0.538 176.823 176.300 -0.025 0.000 1.161 269 D CA 0.094 54.080 54.000 -0.024 0.000 0.876 269 D CB 1.276 42.062 40.800 -0.024 0.000 1.160 269 D HN 0.031 nan 8.370 nan 0.000 0.459 270 E N 3.137 123.323 120.200 -0.022 0.000 2.204 270 E HA -0.140 4.207 4.350 -0.004 0.000 0.194 270 E C 1.186 177.776 176.600 -0.016 0.000 0.989 270 E CA 1.055 57.442 56.400 -0.022 0.000 0.824 270 E CB 0.217 29.904 29.700 -0.021 0.000 0.756 270 E HN 0.441 nan 8.360 nan 0.000 0.477 271 N N -0.493 118.199 118.700 -0.014 0.000 2.171 271 N HA -0.102 4.636 4.740 -0.004 0.000 0.184 271 N C 1.791 177.296 175.510 -0.009 0.000 1.021 271 N CA 1.373 54.419 53.050 -0.007 0.000 0.854 271 N CB -0.210 38.271 38.487 -0.011 0.000 0.994 271 N HN 0.093 nan 8.380 nan 0.000 0.426 272 V N 1.851 121.753 119.914 -0.020 0.000 2.343 272 V HA -0.165 3.952 4.120 -0.004 0.000 0.247 272 V C 2.534 178.608 176.094 -0.032 0.000 1.051 272 V CA 1.758 64.040 62.300 -0.029 0.000 1.036 272 V CB -1.066 30.732 31.823 -0.040 0.000 0.654 272 V HN 0.253 nan 8.190 nan 0.000 0.451 273 A N 0.398 123.202 122.820 -0.027 0.000 1.858 273 A HA -0.205 4.113 4.320 -0.004 0.000 0.216 273 A C 2.189 179.777 177.584 0.005 0.000 1.190 273 A CA 2.166 54.192 52.037 -0.018 0.000 0.617 273 A CB -0.702 18.286 19.000 -0.020 0.000 0.827 273 A HN 0.467 nan 8.150 nan 0.000 0.443 274 L N -0.378 120.847 121.223 0.005 0.000 2.079 274 L HA -0.145 4.193 4.340 -0.004 0.000 0.210 274 L C 2.020 178.928 176.870 0.064 0.000 1.081 274 L CA 2.323 57.177 54.840 0.024 0.000 0.752 274 L CB -0.593 41.474 42.059 0.014 0.000 0.896 274 L HN 0.347 nan 8.230 nan 0.000 0.433 275 E N -0.048 120.177 120.200 0.042 0.000 2.152 275 E HA -0.078 4.270 4.350 -0.004 0.000 0.192 275 E C 2.202 178.811 176.600 0.016 0.000 0.983 275 E CA 1.178 57.603 56.400 0.043 0.000 0.818 275 E CB -0.308 29.405 29.700 0.023 0.000 0.758 275 E HN 0.650 nan 8.360 nan 0.000 0.467 276 A N 0.531 123.338 122.820 -0.021 0.000 1.929 276 A HA -0.144 4.174 4.320 -0.004 0.000 0.216 276 A C 2.500 180.026 177.584 -0.096 0.000 1.176 276 A CA 1.167 53.147 52.037 -0.095 0.000 0.628 276 A CB -0.960 17.965 19.000 -0.125 0.000 0.816 276 A HN 0.402 nan 8.150 nan 0.000 0.444 277 C N -0.283 119.051 119.300 0.057 0.000 2.422 277 C HA -0.077 4.381 4.460 -0.004 0.000 0.279 277 C C 2.478 177.564 174.990 0.160 0.000 1.305 277 C CA 1.510 60.659 59.018 0.218 0.000 1.757 277 C CB -1.212 26.643 27.740 0.191 0.000 1.962 277 C HN 0.702 nan 8.230 nan 0.000 0.499 278 E N -0.659 119.604 120.200 0.105 0.000 2.333 278 E HA -0.162 4.185 4.350 -0.004 0.000 0.198 278 E C 1.643 178.247 176.600 0.006 0.000 1.007 278 E CA 0.878 57.347 56.400 0.116 0.000 0.845 278 E CB -0.424 29.350 29.700 0.122 0.000 0.766 278 E HN 0.758 nan 8.360 nan 0.000 0.507 279 F N -1.000 118.753 119.950 -0.328 0.000 2.134 279 F HA -0.159 4.365 4.527 -0.004 0.000 0.299 279 F C 1.229 176.796 175.800 -0.389 0.000 1.097 279 F CA 1.591 59.298 58.000 -0.489 0.000 1.264 279 F CB -0.200 38.278 39.000 -0.870 0.000 1.001 279 F HN 0.123 nan 8.300 nan 0.000 0.479 280 W N -0.138 121.261 121.300 0.165 0.000 2.409 280 W HA -0.077 4.581 4.660 -0.003 0.000 0.299 280 W C 2.377 178.903 176.519 0.011 0.000 1.203 280 W CA 0.499 57.895 57.345 0.085 0.000 1.298 280 W CB -0.820 28.706 29.460 0.110 0.000 1.127 280 W HN -0.042 nan 8.180 nan 0.000 0.528 281 L N 0.219 121.576 121.223 0.224 0.000 2.012 281 L HA -0.250 4.088 4.340 -0.004 0.000 0.210 281 L C 2.393 179.281 176.870 0.030 0.000 1.073 281 L CA 1.816 56.739 54.840 0.139 0.000 0.748 281 L CB -0.749 41.410 42.059 0.167 0.000 0.891 281 L HN 0.021 nan 8.230 nan 0.000 0.431 282 T N -0.305 114.212 114.554 -0.063 0.000 2.770 282 T HA -0.184 4.164 4.350 -0.004 0.000 0.263 282 T C 1.692 176.277 174.700 -0.191 0.000 1.039 282 T CA 1.274 63.288 62.100 -0.143 0.000 1.142 282 T CB -0.264 68.478 68.868 -0.210 0.000 0.868 282 T HN 0.158 nan 8.240 nan 0.000 0.435 283 L N 1.851 122.892 121.223 -0.304 0.000 2.042 283 L HA 0.061 4.399 4.340 -0.004 0.000 0.210 283 L C 2.605 179.432 176.870 -0.072 0.000 1.076 283 L CA 1.895 56.585 54.840 -0.250 0.000 0.749 283 L CB -1.143 40.738 42.059 -0.297 0.000 0.893 283 L HN 0.237 nan 8.230 nan 0.000 0.432 284 A N -1.019 121.804 122.820 0.004 0.000 2.032 284 A HA -0.257 4.061 4.320 -0.004 0.000 0.221 284 A C 2.141 179.717 177.584 -0.013 0.000 1.165 284 A CA 2.008 54.063 52.037 0.030 0.000 0.645 284 A CB -0.623 18.423 19.000 0.077 0.000 0.807 284 A HN 0.648 nan 8.150 nan 0.000 0.453 285 E N -0.389 119.793 120.200 -0.029 0.000 2.489 285 E HA 0.007 4.355 4.350 -0.004 0.000 0.193 285 E C -0.143 176.430 176.600 -0.044 0.000 1.057 285 E CA -0.053 56.327 56.400 -0.034 0.000 0.866 285 E CB 0.180 29.861 29.700 -0.032 0.000 0.916 285 E HN 0.564 nan 8.360 nan 0.000 0.500 286 Q N 0.102 119.870 119.800 -0.054 0.000 2.257 286 Q HA 0.149 4.487 4.340 -0.004 0.000 0.255 286 Q C -1.911 174.062 176.000 -0.044 0.000 0.920 286 Q CA -2.167 53.605 55.803 -0.051 0.000 0.927 286 Q CB 0.961 29.660 28.738 -0.064 0.000 1.229 286 Q HN -0.085 nan 8.270 nan 0.000 0.433 287 P HA -0.246 nan 4.420 nan 0.000 0.222 287 P C 1.194 178.473 177.300 -0.034 0.000 1.159 287 P CA 1.770 64.849 63.100 -0.035 0.000 0.920 287 P CB -0.100 31.585 31.700 -0.024 0.000 0.793 288 I N -3.820 116.737 120.570 -0.023 0.000 3.334 288 I HA -0.094 4.074 4.170 -0.004 0.000 0.282 288 I C 2.386 178.501 176.117 -0.005 0.000 1.313 288 I CA 0.479 61.773 61.300 -0.010 0.000 1.396 288 I CB -1.361 36.638 38.000 -0.001 0.000 1.054 288 I HN 0.010 nan 8.210 nan 0.000 0.495 289 C N 2.068 121.355 119.300 -0.021 0.000 2.376 289 C HA -0.287 4.171 4.460 -0.004 0.000 0.275 289 C C 2.916 177.916 174.990 0.018 0.000 1.200 289 C CA 2.066 61.083 59.018 -0.002 0.000 1.756 289 C CB -0.914 26.805 27.740 -0.034 0.000 2.050 289 C HN 0.700 nan 8.230 nan 0.000 0.460 290 K N -0.018 120.334 120.400 -0.080 0.000 2.044 290 K HA -0.184 4.134 4.320 -0.004 0.000 0.210 290 K C 1.644 178.308 176.600 0.107 0.000 1.049 290 K CA 2.426 58.654 56.287 -0.098 0.000 0.927 290 K CB -0.238 32.151 32.500 -0.184 0.000 0.713 290 K HN 0.579 nan 8.250 nan 0.000 0.443 291 D N -0.287 120.157 120.400 0.074 0.000 2.183 291 D HA -0.106 4.531 4.640 -0.004 0.000 0.203 291 D C 1.900 178.280 176.300 0.132 0.000 0.969 291 D CA 0.773 54.834 54.000 0.101 0.000 0.842 291 D CB -0.089 40.751 40.800 0.066 0.000 0.957 291 D HN 0.022 nan 8.370 nan 0.000 0.484 292 V N 0.869 120.850 119.914 0.111 0.000 2.270 292 V HA -0.170 3.947 4.120 -0.004 0.000 0.245 292 V C 2.403 178.635 176.094 0.230 0.000 1.043 292 V CA 1.214 63.572 62.300 0.096 0.000 1.014 292 V CB -0.347 31.512 31.823 0.059 0.000 0.645 292 V HN 0.172 nan 8.190 nan 0.000 0.447 293 L N -0.639 120.745 121.223 0.269 0.000 2.558 293 L HA 0.011 4.349 4.340 -0.004 0.000 0.225 293 L C 2.204 179.223 176.870 0.248 0.000 1.128 293 L CA -0.035 54.996 54.840 0.318 0.000 0.868 293 L CB -0.278 41.962 42.059 0.302 0.000 1.006 293 L HN 0.156 nan 8.230 nan 0.000 0.454 294 V N 1.278 121.336 119.914 0.240 0.000 2.258 294 V HA -0.412 3.706 4.120 -0.004 0.000 0.259 294 V C 2.191 178.306 176.094 0.036 0.000 1.076 294 V CA 2.595 64.981 62.300 0.143 0.000 1.084 294 V CB -0.710 31.204 31.823 0.152 0.000 0.706 294 V HN 0.686 nan 8.190 nan 0.000 0.461 295 R N -0.970 119.551 120.500 0.035 0.000 2.449 295 R HA 0.147 4.485 4.340 -0.004 0.000 0.262 295 R C 0.994 177.087 176.300 -0.345 0.000 1.006 295 R CA 0.319 56.331 56.100 -0.148 0.000 1.104 295 R CB -0.188 29.995 30.300 -0.195 0.000 1.206 295 R HN 0.653 nan 8.270 nan 0.000 0.538 296 H N -0.036 119.015 119.070 -0.031 0.000 3.583 296 H HA 0.205 4.759 4.556 -0.003 0.000 0.251 296 H C 1.931 177.150 175.328 -0.181 0.000 1.060 296 H CA -0.125 55.890 56.048 -0.055 0.000 1.159 296 H CB 0.557 30.340 29.762 0.034 0.000 1.496 296 H HN 0.049 nan 8.280 nan 0.000 0.540 297 L N 1.280 122.382 121.223 -0.203 0.000 2.051 297 L HA -0.150 4.187 4.340 -0.004 0.000 0.214 297 L C -0.557 176.093 176.870 -0.367 0.000 1.076 297 L CA 1.634 56.219 54.840 -0.426 0.000 0.758 297 L CB -1.641 39.903 42.059 -0.859 0.000 0.890 297 L HN 0.172 nan 8.230 nan 0.000 0.433 298 P HA -0.183 nan 4.420 nan 0.000 0.217 298 P C 1.262 178.510 177.300 -0.086 0.000 1.148 298 P CA 1.501 64.545 63.100 -0.092 0.000 0.828 298 P CB 0.050 31.734 31.700 -0.027 0.000 0.783 299 K N -1.768 118.574 120.400 -0.096 0.000 2.242 299 K HA 0.040 4.358 4.320 -0.004 0.000 0.200 299 K C 1.820 178.333 176.600 -0.146 0.000 1.050 299 K CA 0.317 56.556 56.287 -0.080 0.000 0.981 299 K CB -0.517 31.970 32.500 -0.021 0.000 0.795 299 K HN 0.024 nan 8.250 nan 0.000 0.477 300 L N 1.205 122.297 121.223 -0.218 0.000 2.023 300 L HA -0.039 4.299 4.340 -0.004 0.000 0.205 300 L C 1.840 178.520 176.870 -0.317 0.000 1.073 300 L CA 1.456 56.070 54.840 -0.377 0.000 0.745 300 L CB -0.327 41.432 42.059 -0.499 0.000 0.900 300 L HN -0.018 nan 8.230 nan 0.000 0.435 301 I N 0.728 121.154 120.570 -0.241 0.000 2.118 301 I HA -0.213 3.954 4.170 -0.004 0.000 0.241 301 I C -0.581 175.454 176.117 -0.137 0.000 1.070 301 I CA 2.018 63.214 61.300 -0.173 0.000 1.327 301 I CB -1.671 36.255 38.000 -0.123 0.000 1.034 301 I HN 0.287 nan 8.210 nan 0.000 0.405 302 P HA -0.126 nan 4.420 nan 0.000 0.216 302 P C 2.072 179.307 177.300 -0.109 0.000 1.150 302 P CA 1.401 64.443 63.100 -0.096 0.000 0.837 302 P CB -0.052 31.602 31.700 -0.076 0.000 0.786 303 V N -0.027 119.806 119.914 -0.136 0.000 2.358 303 V HA -0.192 3.926 4.120 -0.004 0.000 0.246 303 V C 2.775 178.790 176.094 -0.131 0.000 1.047 303 V CA 1.425 63.647 62.300 -0.130 0.000 1.035 303 V CB -1.125 30.608 31.823 -0.150 0.000 0.658 303 V HN 0.015 nan 8.190 nan 0.000 0.452 304 L N -0.611 120.510 121.223 -0.170 0.000 2.017 304 L HA -0.149 4.189 4.340 -0.004 0.000 0.208 304 L C 2.502 179.307 176.870 -0.110 0.000 1.073 304 L CA 1.217 55.974 54.840 -0.137 0.000 0.745 304 L CB -0.618 41.348 42.059 -0.156 0.000 0.894 304 L HN 0.179 nan 8.230 nan 0.000 0.432 305 V N 0.276 120.125 119.914 -0.107 0.000 2.392 305 V HA -0.309 3.809 4.120 -0.004 0.000 0.249 305 V C 2.182 178.211 176.094 -0.108 0.000 1.059 305 V CA 2.224 64.466 62.300 -0.098 0.000 1.051 305 V CB -0.716 31.056 31.823 -0.085 0.000 0.658 305 V HN 0.534 nan 8.190 nan 0.000 0.455 306 N N 0.580 119.216 118.700 -0.105 0.000 2.270 306 N HA -0.068 4.670 4.740 -0.004 0.000 0.181 306 N C 1.792 177.235 175.510 -0.111 0.000 1.016 306 N CA 1.253 54.239 53.050 -0.107 0.000 0.870 306 N CB -0.327 38.104 38.487 -0.093 0.000 0.979 306 N HN 0.386 nan 8.380 nan 0.000 0.431 307 G N -0.088 108.649 108.800 -0.104 0.000 2.471 307 G HA2 -0.159 3.799 3.960 -0.004 0.000 0.219 307 G HA3 -0.159 3.799 3.960 -0.004 0.000 0.219 307 G C 1.313 176.131 174.900 -0.137 0.000 1.125 307 G CA 0.425 45.462 45.100 -0.104 0.000 0.775 307 G HN 0.330 nan 8.290 nan 0.000 0.548 308 M N 0.025 119.534 119.600 -0.151 0.000 2.492 308 M HA 0.135 4.613 4.480 -0.004 0.000 0.262 308 M C 0.808 176.954 176.300 -0.257 0.000 1.090 308 M CA 0.406 55.588 55.300 -0.196 0.000 1.110 308 M CB 0.052 32.553 32.600 -0.166 0.000 1.407 308 M HN -0.029 nan 8.290 nan 0.000 0.470 309 K N 0.781 121.053 120.400 -0.213 0.000 2.469 309 K HA -0.005 4.312 4.320 -0.004 0.000 0.274 309 K C -0.854 175.625 176.600 -0.202 0.000 0.983 309 K CA 0.128 56.282 56.287 -0.222 0.000 0.974 309 K CB 0.340 32.737 32.500 -0.172 0.000 0.913 309 K HN -0.065 nan 8.250 nan 0.000 0.493 310 Y N 1.210 121.424 120.300 -0.143 0.000 2.442 310 Y HA -0.058 4.489 4.550 -0.003 0.000 0.330 310 Y C 1.103 176.927 175.900 -0.126 0.000 1.129 310 Y CA -0.038 57.991 58.100 -0.118 0.000 1.365 310 Y CB 0.506 38.907 38.460 -0.098 0.000 1.233 310 Y HN 0.543 nan 8.280 nan 0.000 0.529 311 S N 1.382 117.137 115.700 0.091 0.000 2.593 311 S HA 0.053 4.521 4.470 -0.004 0.000 0.269 311 S C 0.842 175.449 174.600 0.012 0.000 1.334 311 S CA -0.737 57.474 58.200 0.018 0.000 1.015 311 S CB 0.928 64.129 63.200 0.002 0.000 0.912 311 S HN 0.680 nan 8.310 nan 0.000 0.541 312 D N 1.010 121.400 120.400 -0.016 0.000 2.104 312 D HA -0.117 4.521 4.640 -0.004 0.000 0.194 312 D C 1.804 178.094 176.300 -0.016 0.000 0.994 312 D CA 1.504 55.492 54.000 -0.021 0.000 0.830 312 D CB -0.422 40.365 40.800 -0.022 0.000 0.959 312 D HN 0.606 nan 8.370 nan 0.000 0.452 313 I N 1.532 122.094 120.570 -0.012 0.000 2.163 313 I HA -0.245 3.923 4.170 -0.004 0.000 0.243 313 I C 2.014 178.119 176.117 -0.020 0.000 1.085 313 I CA 1.130 62.422 61.300 -0.013 0.000 1.347 313 I CB -0.483 37.512 38.000 -0.009 0.000 1.044 313 I HN -0.145 nan 8.210 nan 0.000 0.408 314 D N 0.942 121.337 120.400 -0.009 0.000 2.126 314 D HA -0.209 4.429 4.640 -0.004 0.000 0.190 314 D C 2.335 178.561 176.300 -0.124 0.000 1.001 314 D CA 1.680 55.670 54.000 -0.017 0.000 0.841 314 D CB -0.368 40.498 40.800 0.110 0.000 0.949 314 D HN 0.345 nan 8.370 nan 0.000 0.446 315 I N 0.567 121.048 120.570 -0.149 0.000 2.163 315 I HA -0.267 3.901 4.170 -0.004 0.000 0.243 315 I C 2.482 178.548 176.117 -0.084 0.000 1.085 315 I CA 0.846 62.048 61.300 -0.163 0.000 1.347 315 I CB -0.211 37.771 38.000 -0.029 0.000 1.044 315 I HN -0.007 nan 8.210 nan 0.000 0.408 316 I N 0.277 120.820 120.570 -0.044 0.000 2.179 316 I HA -0.311 3.857 4.170 -0.004 0.000 0.242 316 I C 2.495 178.589 176.117 -0.038 0.000 1.088 316 I CA 1.442 62.724 61.300 -0.029 0.000 1.357 316 I CB -0.361 37.630 38.000 -0.015 0.000 1.051 316 I HN 0.198 nan 8.210 nan 0.000 0.409 317 L N 0.157 121.355 121.223 -0.041 0.000 1.990 317 L HA -0.269 4.069 4.340 -0.004 0.000 0.213 317 L C 2.530 179.371 176.870 -0.048 0.000 1.072 317 L CA 1.667 56.485 54.840 -0.037 0.000 0.755 317 L CB -0.596 41.445 42.059 -0.029 0.000 0.889 317 L HN 0.244 nan 8.230 nan 0.000 0.432 318 L N -0.854 120.325 121.223 -0.073 0.000 1.937 318 L HA -0.155 4.183 4.340 -0.004 0.000 0.213 318 L C 1.584 178.408 176.870 -0.076 0.000 1.077 318 L CA 1.314 56.104 54.840 -0.082 0.000 0.758 318 L CB -0.503 41.478 42.059 -0.130 0.000 0.888 318 L HN 0.108 nan 8.230 nan 0.000 0.433 373 W N 3.134 124.424 121.300 -0.017 0.000 2.264 373 W HA 0.283 4.940 4.660 -0.004 0.000 0.331 373 W C -0.179 176.335 176.519 -0.008 0.000 1.364 373 W CA 0.846 58.182 57.345 -0.015 0.000 1.253 373 W CB 0.288 29.739 29.460 -0.015 0.000 1.215 373 W HN 0.383 nan 8.180 nan 0.000 0.561 374 N N 2.671 121.125 118.700 -0.411 0.000 3.344 374 N HA 0.120 4.857 4.740 -0.004 0.000 0.296 374 N C -0.082 175.154 175.510 -0.458 0.000 1.571 374 N CA -0.768 52.100 53.050 -0.302 0.000 0.844 374 N CB 0.110 38.510 38.487 -0.146 0.000 1.718 374 N HN 0.257 nan 8.380 nan 0.000 0.589 375 L N 0.401 121.470 121.223 -0.256 0.000 2.042 375 L HA 0.089 4.427 4.340 -0.004 0.000 0.210 375 L C 2.509 179.223 176.870 -0.260 0.000 1.076 375 L CA 1.859 56.568 54.840 -0.219 0.000 0.749 375 L CB -0.679 41.309 42.059 -0.119 0.000 0.893 375 L HN 0.787 nan 8.230 nan 0.000 0.432 376 R N -0.350 119.999 120.500 -0.251 0.000 2.080 376 R HA -0.190 4.148 4.340 -0.004 0.000 0.236 376 R C 2.255 178.359 176.300 -0.327 0.000 1.137 376 R CA 1.925 57.871 56.100 -0.256 0.000 0.943 376 R CB -0.179 29.981 30.300 -0.233 0.000 0.846 376 R HN 0.368 nan 8.270 nan 0.000 0.431 377 K N -0.184 119.941 120.400 -0.458 0.000 2.148 377 K HA -0.142 4.176 4.320 -0.004 0.000 0.204 377 K C 2.316 178.475 176.600 -0.734 0.000 1.050 377 K CA 1.188 57.130 56.287 -0.574 0.000 0.942 377 K CB -0.353 31.747 32.500 -0.665 0.000 0.724 377 K HN 0.293 nan 8.250 nan 0.000 0.446 378 C N 1.081 119.840 119.300 -0.902 0.000 2.453 378 C HA -0.098 4.359 4.460 -0.004 0.000 0.277 378 C C 2.831 177.751 174.990 -0.117 0.000 1.262 378 C CA 1.243 59.976 59.018 -0.475 0.000 1.718 378 C CB -0.765 26.796 27.740 -0.297 0.000 2.031 378 C HN 0.424 nan 8.230 nan 0.000 0.480 379 S N 0.921 116.541 115.700 -0.135 0.000 2.356 379 S HA -0.107 4.360 4.470 -0.004 0.000 0.223 379 S C 2.178 176.745 174.600 -0.055 0.000 1.032 379 S CA 1.462 59.627 58.200 -0.058 0.000 1.005 379 S CB -0.632 62.513 63.200 -0.091 0.000 0.867 379 S HN 0.823 nan 8.310 nan 0.000 0.449 380 A N 1.642 124.398 122.820 -0.105 0.000 1.902 380 A HA 0.086 4.404 4.320 -0.004 0.000 0.217 380 A C 2.365 179.949 177.584 -0.001 0.000 1.181 380 A CA 1.753 53.750 52.037 -0.067 0.000 0.623 380 A CB -1.098 17.830 19.000 -0.121 0.000 0.818 380 A HN 0.522 nan 8.150 nan 0.000 0.443 381 A N -0.187 122.643 122.820 0.016 0.000 1.898 381 A HA 0.184 4.502 4.320 -0.004 0.000 0.216 381 A C 2.515 180.168 177.584 0.115 0.000 1.181 381 A CA 2.059 54.162 52.037 0.110 0.000 0.620 381 A CB -1.028 18.122 19.000 0.249 0.000 0.819 381 A HN 1.028 nan 8.150 nan 0.000 0.442 382 A N -0.447 122.443 122.820 0.117 0.000 1.858 382 A HA -0.070 4.248 4.320 -0.004 0.000 0.216 382 A C 2.144 179.784 177.584 0.094 0.000 1.190 382 A CA 1.765 53.884 52.037 0.137 0.000 0.617 382 A CB -0.748 18.365 19.000 0.188 0.000 0.827 382 A HN 0.630 nan 8.150 nan 0.000 0.443 383 L N 0.483 121.738 121.223 0.054 0.000 2.042 383 L HA -0.211 4.127 4.340 -0.004 0.000 0.210 383 L C 2.178 179.083 176.870 0.058 0.000 1.076 383 L CA 2.668 57.531 54.840 0.037 0.000 0.749 383 L CB -0.574 41.491 42.059 0.010 0.000 0.893 383 L HN 0.582 nan 8.230 nan 0.000 0.432 384 D N -0.915 119.526 120.400 0.068 0.000 2.104 384 D HA -0.174 4.464 4.640 -0.004 0.000 0.194 384 D C 1.983 178.324 176.300 0.069 0.000 0.994 384 D CA 1.971 56.016 54.000 0.075 0.000 0.830 384 D CB 0.114 40.970 40.800 0.094 0.000 0.959 384 D HN 0.278 nan 8.370 nan 0.000 0.452 385 V N 1.113 121.072 119.914 0.075 0.000 2.358 385 V HA -0.189 3.929 4.120 -0.004 0.000 0.246 385 V C 2.859 178.994 176.094 0.069 0.000 1.047 385 V CA 0.976 63.315 62.300 0.065 0.000 1.035 385 V CB -0.514 31.351 31.823 0.069 0.000 0.658 385 V HN 0.224 nan 8.190 nan 0.000 0.452 386 L N 0.353 121.635 121.223 0.098 0.000 2.131 386 L HA -0.146 4.192 4.340 -0.004 0.000 0.210 386 L C 2.730 179.702 176.870 0.171 0.000 1.092 386 L CA 1.410 56.342 54.840 0.152 0.000 0.759 386 L CB -0.765 41.397 42.059 0.171 0.000 0.903 386 L HN 0.365 nan 8.230 nan 0.000 0.435 387 A N 0.050 122.937 122.820 0.112 0.000 1.933 387 A HA -0.199 4.118 4.320 -0.004 0.000 0.218 387 A C 2.012 179.641 177.584 0.074 0.000 1.175 387 A CA 1.711 53.804 52.037 0.094 0.000 0.628 387 A CB -0.519 18.517 19.000 0.060 0.000 0.814 387 A HN 0.488 nan 8.150 nan 0.000 0.444 388 N N -0.321 118.409 118.700 0.049 0.000 2.457 388 N HA -0.024 4.714 4.740 -0.004 0.000 0.180 388 N C 1.487 176.995 175.510 -0.003 0.000 1.050 388 N CA 1.065 54.127 53.050 0.021 0.000 0.906 388 N CB 0.147 38.641 38.487 0.012 0.000 0.968 388 N HN 0.343 nan 8.380 nan 0.000 0.445 389 V N 0.418 120.323 119.914 -0.015 0.000 2.284 389 V HA -0.084 4.034 4.120 -0.004 0.000 0.236 389 V C 0.270 176.258 176.094 -0.177 0.000 1.044 389 V CA 0.938 63.155 62.300 -0.138 0.000 1.019 389 V CB -0.469 31.215 31.823 -0.233 0.000 0.657 389 V HN 0.089 nan 8.190 nan 0.000 0.465 390 Y N 1.151 121.467 120.300 0.026 0.000 2.436 390 Y HA 0.259 4.807 4.550 -0.003 0.000 0.336 390 Y C 1.348 177.265 175.900 0.029 0.000 1.049 390 Y CA 0.007 58.127 58.100 0.033 0.000 1.294 390 Y CB 0.248 38.734 38.460 0.044 0.000 1.179 390 Y HN 0.094 nan 8.280 nan 0.000 0.520 391 R N 1.232 121.819 120.500 0.146 0.000 1.963 391 R HA -0.020 4.317 4.340 -0.004 0.000 0.193 391 R C 0.802 177.159 176.300 0.094 0.000 1.437 391 R CA 0.555 56.710 56.100 0.092 0.000 1.176 391 R CB -0.214 30.117 30.300 0.052 0.000 0.864 391 R HN 0.587 nan 8.270 nan 0.000 0.495 392 D N 0.986 121.431 120.400 0.075 0.000 2.312 392 D HA -0.090 4.548 4.640 -0.004 0.000 0.211 392 D C 1.370 177.709 176.300 0.065 0.000 0.964 392 D CA 0.752 54.788 54.000 0.060 0.000 0.877 392 D CB -0.082 40.748 40.800 0.049 0.000 0.924 392 D HN 0.327 nan 8.370 nan 0.000 0.515 393 E N -0.062 120.201 120.200 0.104 0.000 2.472 393 E HA -0.113 4.235 4.350 -0.004 0.000 0.200 393 E C 1.663 178.330 176.600 0.111 0.000 1.046 393 E CA 0.058 56.527 56.400 0.114 0.000 0.871 393 E CB 0.099 29.914 29.700 0.192 0.000 0.806 393 E HN 0.142 nan 8.360 nan 0.000 0.533 394 L N 0.006 121.297 121.223 0.114 0.000 2.375 394 L HA 0.031 4.369 4.340 -0.004 0.000 0.215 394 L C 1.734 178.634 176.870 0.051 0.000 1.108 394 L CA 0.710 55.612 54.840 0.104 0.000 0.830 394 L CB 0.137 42.255 42.059 0.098 0.000 0.959 394 L HN 0.119 nan 8.230 nan 0.000 0.457 395 L N 0.140 121.359 121.223 -0.007 0.000 2.046 395 L HA -0.111 4.227 4.340 -0.004 0.000 0.208 395 L C -0.333 176.462 176.870 -0.126 0.000 1.077 395 L CA 1.044 55.843 54.840 -0.068 0.000 0.747 395 L CB -1.820 40.198 42.059 -0.070 0.000 0.896 395 L HN 0.233 nan 8.230 nan 0.000 0.432 396 P HA -0.160 nan 4.420 nan 0.000 0.223 396 P C 1.087 178.163 177.300 -0.373 0.000 1.144 396 P CA 1.388 64.305 63.100 -0.306 0.000 0.783 396 P CB -0.082 31.358 31.700 -0.433 0.000 0.771 397 H N -2.364 116.652 119.070 -0.090 0.000 2.595 397 H HA 0.251 4.805 4.556 -0.004 0.000 0.265 397 H C 1.764 177.035 175.328 -0.094 0.000 0.953 397 H CA 0.692 56.680 56.048 -0.100 0.000 1.197 397 H CB 0.503 30.185 29.762 -0.133 0.000 1.438 397 H HN 0.226 nan 8.280 nan 0.000 0.531 398 I N -0.372 120.195 120.570 -0.005 0.000 3.718 398 I HA -0.062 4.106 4.170 -0.004 0.000 0.297 398 I C 2.211 178.284 176.117 -0.073 0.000 1.220 398 I CA 0.165 61.443 61.300 -0.037 0.000 1.381 398 I CB 0.132 38.108 38.000 -0.039 0.000 1.238 398 I HN 0.017 nan 8.210 nan 0.000 0.448 399 L N 2.030 123.184 121.223 -0.114 0.000 1.978 399 L HA -0.188 4.149 4.340 -0.004 0.000 0.218 399 L C -0.243 176.563 176.870 -0.107 0.000 1.075 399 L CA 2.424 57.166 54.840 -0.164 0.000 0.767 399 L CB -1.679 40.225 42.059 -0.257 0.000 0.890 399 L HN 0.154 nan 8.230 nan 0.000 0.434 400 P HA -0.227 nan 4.420 nan 0.000 0.216 400 P C 1.646 178.934 177.300 -0.019 0.000 1.153 400 P CA 1.283 64.361 63.100 -0.037 0.000 0.858 400 P CB -0.006 31.674 31.700 -0.033 0.000 0.789 401 L N -1.153 120.054 121.223 -0.027 0.000 2.056 401 L HA -0.112 4.226 4.340 -0.004 0.000 0.207 401 L C 2.127 178.988 176.870 -0.016 0.000 1.078 401 L CA 1.646 56.476 54.840 -0.018 0.000 0.749 401 L CB -1.562 40.479 42.059 -0.031 0.000 0.901 401 L HN -0.134 nan 8.230 nan 0.000 0.433 402 L N 0.413 121.614 121.223 -0.037 0.000 1.989 402 L HA -0.242 4.096 4.340 -0.004 0.000 0.211 402 L C 2.593 179.454 176.870 -0.015 0.000 1.071 402 L CA 2.500 57.314 54.840 -0.043 0.000 0.749 402 L CB -0.955 41.057 42.059 -0.078 0.000 0.890 402 L HN 0.541 nan 8.230 nan 0.000 0.431 403 K N -1.090 119.321 120.400 0.018 0.000 2.211 403 K HA -0.196 4.121 4.320 -0.004 0.000 0.203 403 K C 1.960 178.682 176.600 0.203 0.000 1.050 403 K CA 1.415 57.787 56.287 0.141 0.000 0.945 403 K CB -0.543 32.055 32.500 0.163 0.000 0.732 403 K HN 0.475 nan 8.250 nan 0.000 0.451 404 E N 1.538 121.807 120.200 0.114 0.000 2.058 404 E HA -0.181 4.167 4.350 -0.004 0.000 0.194 404 E C 1.973 178.674 176.600 0.168 0.000 0.997 404 E CA 1.269 57.747 56.400 0.130 0.000 0.801 404 E CB -0.032 29.716 29.700 0.079 0.000 0.746 404 E HN 0.372 nan 8.360 nan 0.000 0.450 405 L N 0.239 121.516 121.223 0.091 0.000 2.095 405 L HA -0.112 4.225 4.340 -0.004 0.000 0.204 405 L C 2.560 179.461 176.870 0.052 0.000 1.080 405 L CA 0.502 55.375 54.840 0.055 0.000 0.759 405 L CB -0.295 41.747 42.059 -0.028 0.000 0.914 405 L HN 0.192 nan 8.230 nan 0.000 0.439 406 L N -0.969 120.229 121.223 -0.043 0.000 2.261 406 L HA -0.181 4.157 4.340 -0.004 0.000 0.216 406 L C 1.207 177.860 176.870 -0.362 0.000 1.114 406 L CA 1.351 56.050 54.840 -0.235 0.000 0.777 406 L CB -0.136 41.656 42.059 -0.446 0.000 0.910 406 L HN 0.221 nan 8.230 nan 0.000 0.440 407 F N -3.134 116.871 119.950 0.092 0.000 2.735 407 F HA 0.211 4.735 4.527 -0.004 0.000 0.304 407 F C 1.074 176.949 175.800 0.124 0.000 1.119 407 F CA -0.605 57.439 58.000 0.073 0.000 1.280 407 F CB -0.209 38.759 39.000 -0.054 0.000 0.994 407 F HN -0.013 nan 8.300 nan 0.000 0.520 408 H N 1.543 120.711 119.070 0.163 0.000 2.690 408 H HA 0.017 4.571 4.556 -0.004 0.000 0.365 408 H C 1.447 176.842 175.328 0.112 0.000 1.142 408 H CA 0.653 56.763 56.048 0.102 0.000 1.417 408 H CB 0.761 30.511 29.762 -0.021 0.000 1.446 408 H HN 0.371 nan 8.280 nan 0.000 0.599 409 H N 1.779 120.838 119.070 -0.018 0.000 2.512 409 H HA 0.107 4.660 4.556 -0.004 0.000 0.279 409 H C -0.363 175.111 175.328 0.242 0.000 0.999 409 H CA 0.126 56.234 56.048 0.099 0.000 1.283 409 H CB 0.448 30.203 29.762 -0.013 0.000 1.421 409 H HN 0.487 nan 8.280 nan 0.000 0.554 410 E N 1.700 121.943 120.200 0.073 0.000 2.227 410 E HA 0.013 4.361 4.350 -0.004 0.000 0.282 410 E C 0.831 177.467 176.600 0.061 0.000 1.015 410 E CA -0.701 55.721 56.400 0.037 0.000 0.823 410 E CB 0.866 30.487 29.700 -0.132 0.000 1.081 410 E HN 0.546 nan 8.360 nan 0.000 0.396 411 W N 3.726 125.050 121.300 0.039 0.000 2.388 411 W HA -0.137 4.521 4.660 -0.003 0.000 0.294 411 W C 0.810 177.344 176.519 0.025 0.000 1.212 411 W CA 0.515 57.884 57.345 0.040 0.000 1.271 411 W CB -0.730 28.758 29.460 0.047 0.000 1.126 411 W HN 0.263 nan 8.180 nan 0.000 0.535 412 V N 2.299 121.720 119.914 -0.822 0.000 2.332 412 V HA -0.340 3.778 4.120 -0.004 0.000 0.248 412 V C 2.637 178.531 176.094 -0.334 0.000 1.055 412 V CA 2.311 64.138 62.300 -0.789 0.000 1.038 412 V CB -1.384 29.910 31.823 -0.882 0.000 0.651 412 V HN 0.107 nan 8.190 nan 0.000 0.450 413 V N 0.127 119.838 119.914 -0.338 0.000 2.295 413 V HA -0.290 3.828 4.120 -0.004 0.000 0.246 413 V C 2.414 178.406 176.094 -0.170 0.000 1.049 413 V CA 2.456 64.556 62.300 -0.333 0.000 1.024 413 V CB -0.749 30.665 31.823 -0.682 0.000 0.648 413 V HN 0.575 nan 8.190 nan 0.000 0.447 414 K N 0.840 121.210 120.400 -0.050 0.000 2.057 414 K HA -0.256 4.062 4.320 -0.004 0.000 0.206 414 K C 2.164 178.797 176.600 0.055 0.000 1.050 414 K CA 1.901 58.216 56.287 0.047 0.000 0.935 414 K CB -0.142 32.440 32.500 0.137 0.000 0.715 414 K HN 0.615 nan 8.250 nan 0.000 0.439 415 E N 0.612 120.881 120.200 0.115 0.000 2.150 415 E HA -0.157 4.190 4.350 -0.004 0.000 0.193 415 E C 1.733 178.348 176.600 0.025 0.000 0.985 415 E CA 1.804 58.290 56.400 0.142 0.000 0.814 415 E CB -0.357 29.546 29.700 0.338 0.000 0.752 415 E HN 0.313 nan 8.360 nan 0.000 0.466 416 S N -0.162 115.502 115.700 -0.061 0.000 2.383 416 S HA -0.023 4.445 4.470 -0.004 0.000 0.227 416 S C 2.241 176.797 174.600 -0.073 0.000 1.026 416 S CA 0.936 59.059 58.200 -0.128 0.000 0.981 416 S CB -1.105 61.988 63.200 -0.179 0.000 0.818 416 S HN 0.427 nan 8.310 nan 0.000 0.472 417 G N 1.866 110.634 108.800 -0.054 0.000 2.418 417 G HA2 -0.059 3.899 3.960 -0.004 0.000 0.217 417 G HA3 -0.059 3.899 3.960 -0.004 0.000 0.217 417 G C 1.450 176.344 174.900 -0.009 0.000 1.158 417 G CA 0.983 46.060 45.100 -0.038 0.000 0.771 417 G HN 0.587 nan 8.290 nan 0.000 0.545 418 I N 0.096 120.675 120.570 0.015 0.000 2.226 418 I HA -0.111 4.057 4.170 -0.004 0.000 0.245 418 I C 2.568 178.751 176.117 0.110 0.000 1.100 418 I CA 0.526 61.856 61.300 0.050 0.000 1.374 418 I CB -0.228 37.810 38.000 0.064 0.000 1.057 418 I HN 0.175 nan 8.210 nan 0.000 0.413 419 L N 0.686 121.973 121.223 0.106 0.000 2.042 419 L HA -0.167 4.170 4.340 -0.004 0.000 0.210 419 L C 2.423 179.389 176.870 0.159 0.000 1.076 419 L CA 1.776 56.717 54.840 0.168 0.000 0.749 419 L CB -0.432 41.633 42.059 0.011 0.000 0.893 419 L HN -0.031 nan 8.230 nan 0.000 0.432 420 V N -0.375 119.574 119.914 0.058 0.000 2.332 420 V HA -0.280 3.838 4.120 -0.004 0.000 0.248 420 V C 2.492 178.622 176.094 0.059 0.000 1.055 420 V CA 1.807 64.130 62.300 0.037 0.000 1.038 420 V CB -0.793 31.024 31.823 -0.011 0.000 0.651 420 V HN 0.548 nan 8.190 nan 0.000 0.450 421 L N 1.286 122.546 121.223 0.062 0.000 2.093 421 L HA 0.032 4.369 4.340 -0.004 0.000 0.208 421 L C 2.290 179.234 176.870 0.123 0.000 1.085 421 L CA 2.367 57.256 54.840 0.082 0.000 0.755 421 L CB -1.231 40.858 42.059 0.049 0.000 0.904 421 L HN 0.244 nan 8.230 nan 0.000 0.435 422 G N -1.035 107.805 108.800 0.067 0.000 2.404 422 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.215 422 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.215 422 G C 1.616 176.474 174.900 -0.071 0.000 1.174 422 G CA 0.765 45.737 45.100 -0.213 0.000 0.780 422 G HN 0.618 nan 8.290 nan 0.000 0.537 423 A N 1.425 124.378 122.820 0.222 0.000 1.883 423 A HA -0.070 4.248 4.320 -0.004 0.000 0.217 423 A C 2.379 180.013 177.584 0.083 0.000 1.186 423 A CA 1.698 53.867 52.037 0.220 0.000 0.624 423 A CB -0.524 18.573 19.000 0.163 0.000 0.822 423 A HN 0.852 nan 8.150 nan 0.000 0.444 424 I N -3.448 117.150 120.570 0.047 0.000 3.564 424 I HA 0.301 4.469 4.170 -0.004 0.000 0.294 424 I C 1.971 178.082 176.117 -0.010 0.000 1.289 424 I CA 0.714 62.030 61.300 0.026 0.000 1.325 424 I CB -0.285 37.733 38.000 0.030 0.000 1.039 424 I HN 0.170 nan 8.210 nan 0.000 0.474 425 A N 1.925 124.682 122.820 -0.105 0.000 1.851 425 A HA -0.258 4.060 4.320 -0.004 0.000 0.216 425 A C 2.433 179.890 177.584 -0.211 0.000 1.195 425 A CA 2.116 53.972 52.037 -0.302 0.000 0.622 425 A CB -0.778 17.718 19.000 -0.841 0.000 0.831 425 A HN 0.642 nan 8.150 nan 0.000 0.444 426 E N -0.664 119.437 120.200 -0.165 0.000 2.058 426 E HA -0.150 4.197 4.350 -0.004 0.000 0.194 426 E C 2.063 178.631 176.600 -0.053 0.000 0.997 426 E CA 1.318 57.654 56.400 -0.106 0.000 0.801 426 E CB -0.436 29.226 29.700 -0.063 0.000 0.746 426 E HN 0.508 nan 8.360 nan 0.000 0.450 427 G N 0.079 108.866 108.800 -0.023 0.000 2.394 427 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.214 427 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.214 427 G C 1.353 176.262 174.900 0.015 0.000 1.176 427 G CA 0.860 45.963 45.100 0.005 0.000 0.786 427 G HN 0.404 nan 8.290 nan 0.000 0.533 428 C N 1.044 120.355 119.300 0.020 0.000 2.396 428 C HA 0.404 4.862 4.460 -0.004 0.000 0.334 428 C C 2.147 177.163 174.990 0.042 0.000 1.313 428 C CA -0.547 58.491 59.018 0.033 0.000 1.719 428 C CB -1.144 26.616 27.740 0.033 0.000 1.893 428 C HN 0.452 nan 8.230 nan 0.000 0.589 429 M N 1.821 121.439 119.600 0.030 0.000 2.115 429 M HA -0.183 4.294 4.480 -0.004 0.000 0.258 429 M C 2.306 178.634 176.300 0.046 0.000 1.071 429 M CA 2.100 57.432 55.300 0.052 0.000 1.100 429 M CB -0.600 32.010 32.600 0.016 0.000 1.292 429 M HN 0.218 nan 8.290 nan 0.000 0.415 430 Q N -0.230 119.592 119.800 0.036 0.000 2.133 430 Q HA -0.091 4.246 4.340 -0.004 0.000 0.208 430 Q C 1.998 178.018 176.000 0.033 0.000 0.991 430 Q CA 2.129 57.953 55.803 0.036 0.000 0.867 430 Q CB -1.180 27.578 28.738 0.034 0.000 0.911 430 Q HN 0.746 nan 8.270 nan 0.000 0.417 431 G N -1.468 107.358 108.800 0.043 0.000 2.551 431 G HA2 -0.123 3.835 3.960 -0.004 0.000 0.216 431 G HA3 -0.123 3.835 3.960 -0.004 0.000 0.216 431 G C 1.158 176.119 174.900 0.101 0.000 1.137 431 G CA 0.214 45.353 45.100 0.065 0.000 0.798 431 G HN 0.176 nan 8.290 nan 0.000 0.536 432 M N 0.371 120.004 119.600 0.055 0.000 2.447 432 M HA 0.261 4.739 4.480 -0.004 0.000 0.264 432 M C 2.394 178.661 176.300 -0.054 0.000 1.095 432 M CA 0.223 55.543 55.300 0.033 0.000 1.125 432 M CB -0.614 31.999 32.600 0.020 0.000 1.389 432 M HN 0.215 nan 8.290 nan 0.000 0.459 433 I N 0.919 121.407 120.570 -0.136 0.000 2.087 433 I HA -0.297 3.871 4.170 -0.004 0.000 0.240 433 I C -0.619 175.298 176.117 -0.332 0.000 1.054 433 I CA 1.865 62.954 61.300 -0.352 0.000 1.311 433 I CB -1.960 35.929 38.000 -0.185 0.000 1.024 433 I HN 0.152 nan 8.210 nan 0.000 0.402 434 P HA -0.194 nan 4.420 nan 0.000 0.219 434 P C 0.880 177.921 177.300 -0.431 0.000 1.144 434 P CA 1.636 64.554 63.100 -0.303 0.000 0.806 434 P CB -0.138 31.326 31.700 -0.392 0.000 0.771 435 Y N -2.346 117.816 120.300 -0.230 0.000 2.478 435 Y HA 0.153 4.701 4.550 -0.004 0.000 0.261 435 Y C 2.085 177.807 175.900 -0.298 0.000 1.127 435 Y CA 0.018 57.995 58.100 -0.204 0.000 1.288 435 Y CB -0.669 37.690 38.460 -0.168 0.000 1.084 435 Y HN -0.141 nan 8.280 nan 0.000 0.530 436 L N 0.441 121.412 121.223 -0.419 0.000 2.056 436 L HA -0.108 4.230 4.340 -0.004 0.000 0.207 436 L C -0.482 176.145 176.870 -0.406 0.000 1.078 436 L CA 0.974 55.387 54.840 -0.711 0.000 0.749 436 L CB -1.615 39.462 42.059 -1.636 0.000 0.901 436 L HN 0.110 nan 8.230 nan 0.000 0.433 437 P HA -0.240 nan 4.420 nan 0.000 0.218 437 P C 1.143 178.557 177.300 0.191 0.000 1.147 437 P CA 1.718 64.936 63.100 0.198 0.000 0.827 437 P CB 0.026 31.860 31.700 0.222 0.000 0.778 438 E N -1.625 118.630 120.200 0.091 0.000 2.340 438 E HA 0.037 4.384 4.350 -0.004 0.000 0.198 438 E C 1.803 178.502 176.600 0.164 0.000 0.961 438 E CA 0.132 56.613 56.400 0.135 0.000 0.905 438 E CB -0.952 28.812 29.700 0.107 0.000 0.884 438 E HN 0.139 nan 8.360 nan 0.000 0.491 439 L N 0.643 121.911 121.223 0.075 0.000 2.127 439 L HA -0.018 4.319 4.340 -0.004 0.000 0.203 439 L C 2.384 179.282 176.870 0.046 0.000 1.080 439 L CA 0.299 55.175 54.840 0.060 0.000 0.768 439 L CB -0.238 41.773 42.059 -0.081 0.000 0.924 439 L HN 0.210 nan 8.230 nan 0.000 0.444 440 I N 0.605 121.160 120.570 -0.025 0.000 2.076 440 I HA -0.204 3.964 4.170 -0.004 0.000 0.237 440 I C -0.025 176.183 176.117 0.153 0.000 1.059 440 I CA 2.011 63.330 61.300 0.032 0.000 1.317 440 I CB -2.502 35.504 38.000 0.011 0.000 1.037 440 I HN 0.134 nan 8.210 nan 0.000 0.398 441 P HA -0.207 nan 4.420 nan 0.000 0.217 441 P C 1.844 179.263 177.300 0.199 0.000 1.151 441 P CA 1.612 64.853 63.100 0.236 0.000 0.849 441 P CB -0.374 31.479 31.700 0.256 0.000 0.787 442 H N -0.395 118.748 119.070 0.122 0.000 2.357 442 H HA -0.039 4.515 4.556 -0.003 0.000 0.301 442 H C 1.852 177.207 175.328 0.046 0.000 1.082 442 H CA 1.065 57.176 56.048 0.106 0.000 1.342 442 H CB -0.437 29.402 29.762 0.128 0.000 1.389 442 H HN 0.057 nan 8.280 nan 0.000 0.511 443 L N 0.621 121.784 121.223 -0.100 0.000 2.017 443 L HA -0.201 4.137 4.340 -0.004 0.000 0.208 443 L C 2.798 179.623 176.870 -0.076 0.000 1.073 443 L CA 1.067 55.821 54.840 -0.144 0.000 0.745 443 L CB -0.357 41.675 42.059 -0.045 0.000 0.894 443 L HN 0.297 nan 8.230 nan 0.000 0.432 444 I N -0.654 119.922 120.570 0.010 0.000 2.399 444 I HA -0.298 3.870 4.170 -0.004 0.000 0.254 444 I C 2.621 178.749 176.117 0.019 0.000 1.146 444 I CA 0.912 62.236 61.300 0.040 0.000 1.412 444 I CB -0.362 37.692 38.000 0.089 0.000 1.076 444 I HN 0.424 nan 8.210 nan 0.000 0.432 445 Q N 0.197 119.995 119.800 -0.004 0.000 2.049 445 Q HA -0.133 4.205 4.340 -0.004 0.000 0.198 445 Q C 2.523 178.497 176.000 -0.043 0.000 0.971 445 Q CA 1.529 57.330 55.803 -0.004 0.000 0.833 445 Q CB -0.690 28.070 28.738 0.037 0.000 0.896 445 Q HN 0.556 nan 8.270 nan 0.000 0.434 446 C N 0.736 119.958 119.300 -0.130 0.000 2.410 446 C HA -0.098 4.360 4.460 -0.004 0.000 0.281 446 C C 2.573 177.538 174.990 -0.041 0.000 1.318 446 C CA 0.042 58.996 59.018 -0.108 0.000 1.776 446 C CB -1.223 26.408 27.740 -0.181 0.000 1.942 446 C HN 0.364 nan 8.230 nan 0.000 0.508 447 L N 2.025 123.233 121.223 -0.024 0.000 2.270 447 L HA -0.121 4.217 4.340 -0.004 0.000 0.217 447 L C 2.090 178.964 176.870 0.006 0.000 1.107 447 L CA 2.147 56.990 54.840 0.006 0.000 0.772 447 L CB -0.553 41.520 42.059 0.024 0.000 0.902 447 L HN 0.505 nan 8.230 nan 0.000 0.439 448 S N -2.775 112.926 115.700 0.001 0.000 2.711 448 S HA 0.168 4.636 4.470 -0.004 0.000 0.247 448 S C 0.327 174.924 174.600 -0.004 0.000 1.079 448 S CA -0.809 57.391 58.200 0.001 0.000 1.050 448 S CB -0.276 62.930 63.200 0.009 0.000 0.885 448 S HN 0.324 nan 8.310 nan 0.000 0.498 449 D N 2.774 123.167 120.400 -0.011 0.000 2.400 449 D HA 0.022 4.660 4.640 -0.004 0.000 0.238 449 D C 1.170 177.447 176.300 -0.038 0.000 1.157 449 D CA 0.199 54.190 54.000 -0.014 0.000 0.889 449 D CB 1.037 41.831 40.800 -0.011 0.000 1.199 449 D HN 0.494 nan 8.370 nan 0.000 0.436 450 K N 2.167 122.540 120.400 -0.044 0.000 2.148 450 K HA -0.034 4.283 4.320 -0.004 0.000 0.204 450 K C 0.532 177.051 176.600 -0.134 0.000 1.050 450 K CA 0.578 56.824 56.287 -0.069 0.000 0.942 450 K CB 0.121 32.590 32.500 -0.051 0.000 0.724 450 K HN 0.073 nan 8.250 nan 0.000 0.446 451 K N 1.511 121.790 120.400 -0.202 0.000 2.338 451 K HA 0.168 4.486 4.320 -0.004 0.000 0.290 451 K C 0.859 177.289 176.600 -0.284 0.000 1.069 451 K CA 0.327 56.387 56.287 -0.378 0.000 0.941 451 K CB 1.336 33.432 32.500 -0.673 0.000 1.023 451 K HN 0.231 nan 8.250 nan 0.000 0.477 452 A N 4.425 127.092 122.820 -0.254 0.000 1.903 452 A HA -0.191 4.127 4.320 -0.004 0.000 0.219 452 A C 1.921 179.430 177.584 -0.124 0.000 1.191 452 A CA 1.528 53.470 52.037 -0.158 0.000 0.638 452 A CB -0.460 18.456 19.000 -0.140 0.000 0.823 452 A HN 0.718 nan 8.150 nan 0.000 0.451 453 L N -0.423 120.691 121.223 -0.181 0.000 2.456 453 L HA -0.109 4.229 4.340 -0.004 0.000 0.224 453 L C 2.154 179.074 176.870 0.085 0.000 1.148 453 L CA 0.387 55.210 54.840 -0.030 0.000 0.825 453 L CB -0.229 41.833 42.059 0.004 0.000 0.937 453 L HN 0.272 nan 8.230 nan 0.000 0.450 454 V N -0.837 119.085 119.914 0.014 0.000 2.535 454 V HA -0.126 3.992 4.120 -0.004 0.000 0.246 454 V C 2.475 178.599 176.094 0.049 0.000 1.045 454 V CA 1.148 63.496 62.300 0.080 0.000 1.058 454 V CB -0.425 31.438 31.823 0.067 0.000 0.689 454 V HN 0.371 nan 8.190 nan 0.000 0.461 455 R N 0.049 120.556 120.500 0.010 0.000 2.081 455 R HA -0.121 4.217 4.340 -0.004 0.000 0.235 455 R C 2.666 178.998 176.300 0.053 0.000 1.131 455 R CA 1.669 57.780 56.100 0.019 0.000 0.960 455 R CB -0.476 29.821 30.300 -0.004 0.000 0.856 455 R HN 0.407 nan 8.270 nan 0.000 0.436 456 S N 0.964 116.698 115.700 0.057 0.000 2.351 456 S HA -0.165 4.303 4.470 -0.004 0.000 0.220 456 S C 1.835 176.522 174.600 0.145 0.000 1.035 456 S CA 1.308 59.560 58.200 0.086 0.000 1.031 456 S CB -0.227 63.014 63.200 0.069 0.000 0.928 456 S HN 0.171 nan 8.310 nan 0.000 0.433 457 I N 1.568 122.234 120.570 0.160 0.000 2.493 457 I HA -0.111 4.056 4.170 -0.004 0.000 0.254 457 I C 2.051 178.316 176.117 0.246 0.000 1.160 457 I CA 1.380 62.816 61.300 0.226 0.000 1.445 457 I CB -0.789 37.326 38.000 0.193 0.000 1.086 457 I HN 0.235 nan 8.210 nan 0.000 0.433 458 T N -0.615 114.029 114.554 0.150 0.000 2.777 458 T HA -0.175 4.173 4.350 -0.004 0.000 0.266 458 T C 2.128 176.893 174.700 0.107 0.000 1.040 458 T CA 1.583 63.742 62.100 0.099 0.000 1.141 458 T CB -0.821 68.073 68.868 0.042 0.000 0.868 458 T HN 0.392 nan 8.240 nan 0.000 0.444 459 C N 0.402 119.777 119.300 0.126 0.000 2.376 459 C HA -0.158 4.300 4.460 -0.004 0.000 0.275 459 C C 2.426 177.511 174.990 0.158 0.000 1.200 459 C CA 0.514 59.613 59.018 0.134 0.000 1.756 459 C CB -1.360 26.465 27.740 0.142 0.000 2.050 459 C HN 0.812 nan 8.230 nan 0.000 0.460 460 W N 1.380 122.707 121.300 0.045 0.000 2.354 460 W HA -0.148 4.510 4.660 -0.004 0.000 0.315 460 W C 2.474 179.015 176.519 0.038 0.000 1.206 460 W CA 2.279 59.645 57.345 0.036 0.000 1.290 460 W CB -0.895 28.581 29.460 0.026 0.000 1.152 460 W HN 0.208 nan 8.180 nan 0.000 0.489 461 T N 1.791 116.254 114.554 -0.152 0.000 2.684 461 T HA -0.265 4.083 4.350 -0.004 0.000 0.267 461 T C 1.947 176.534 174.700 -0.188 0.000 1.036 461 T CA 2.098 63.990 62.100 -0.347 0.000 1.148 461 T CB -0.732 68.127 68.868 -0.016 0.000 0.863 461 T HN 0.147 nan 8.240 nan 0.000 0.436 462 L N 1.394 122.594 121.223 -0.039 0.000 2.043 462 L HA -0.179 4.159 4.340 -0.004 0.000 0.212 462 L C 2.869 179.731 176.870 -0.012 0.000 1.075 462 L CA 1.707 56.567 54.840 0.034 0.000 0.752 462 L CB -0.653 41.437 42.059 0.052 0.000 0.891 462 L HN 0.397 nan 8.230 nan 0.000 0.432 463 S N -0.657 114.980 115.700 -0.104 0.000 2.442 463 S HA -0.160 4.308 4.470 -0.004 0.000 0.236 463 S C 2.022 176.490 174.600 -0.220 0.000 1.007 463 S CA 0.581 58.708 58.200 -0.121 0.000 0.965 463 S CB -0.332 62.813 63.200 -0.091 0.000 0.773 463 S HN 0.337 nan 8.310 nan 0.000 0.504 464 R N -0.121 120.128 120.500 -0.419 0.000 2.235 464 R HA 0.082 4.419 4.340 -0.004 0.000 0.213 464 R C 0.497 176.468 176.300 -0.549 0.000 1.059 464 R CA 0.877 56.635 56.100 -0.571 0.000 0.997 464 R CB -0.495 29.270 30.300 -0.891 0.000 0.884 464 R HN 0.655 nan 8.270 nan 0.000 0.462 465 Y N -0.719 119.511 120.300 -0.116 0.000 2.636 465 Y HA 0.281 4.829 4.550 -0.004 0.000 0.260 465 Y C 1.845 177.789 175.900 0.075 0.000 1.177 465 Y CA -0.086 58.005 58.100 -0.014 0.000 1.209 465 Y CB 0.214 38.651 38.460 -0.037 0.000 1.166 465 Y HN -0.023 nan 8.280 nan 0.000 0.531 466 A N 0.333 123.219 122.820 0.110 0.000 1.884 466 A HA -0.325 3.992 4.320 -0.004 0.000 0.219 466 A C 2.157 179.806 177.584 0.108 0.000 1.197 466 A CA 2.362 54.446 52.037 0.077 0.000 0.637 466 A CB -1.016 17.989 19.000 0.008 0.000 0.827 466 A HN 0.633 nan 8.150 nan 0.000 0.450 467 H N -2.466 116.637 119.070 0.054 0.000 2.319 467 H HA -0.251 4.303 4.556 -0.004 0.000 0.297 467 H C 2.055 177.445 175.328 0.103 0.000 1.097 467 H CA 2.503 58.586 56.048 0.057 0.000 1.285 467 H CB -0.382 29.412 29.762 0.052 0.000 1.368 467 H HN 0.738 nan 8.280 nan 0.000 0.495 468 W N 1.257 122.603 121.300 0.077 0.000 2.381 468 W HA -0.149 4.509 4.660 -0.003 0.000 0.301 468 W C 2.504 178.986 176.519 -0.061 0.000 1.205 468 W CA 1.703 59.055 57.345 0.011 0.000 1.285 468 W CB -0.601 28.887 29.460 0.048 0.000 1.133 468 W HN -0.044 nan 8.180 nan 0.000 0.521 469 V N 0.431 120.374 119.914 0.048 0.000 2.287 469 V HA -0.362 3.756 4.120 -0.004 0.000 0.248 469 V C 2.119 178.087 176.094 -0.212 0.000 1.053 469 V CA 2.062 64.289 62.300 -0.123 0.000 1.027 469 V CB -1.382 30.478 31.823 0.063 0.000 0.646 469 V HN 0.130 nan 8.190 nan 0.000 0.447 470 V N 0.945 120.751 119.914 -0.180 0.000 2.490 470 V HA -0.227 3.891 4.120 -0.004 0.000 0.250 470 V C 2.649 178.584 176.094 -0.266 0.000 1.061 470 V CA 2.200 64.376 62.300 -0.207 0.000 1.064 470 V CB -0.892 30.811 31.823 -0.200 0.000 0.670 470 V HN 0.779 nan 8.190 nan 0.000 0.461 471 S N -1.155 114.328 115.700 -0.361 0.000 2.453 471 S HA -0.074 4.394 4.470 -0.004 0.000 0.231 471 S C 1.093 175.499 174.600 -0.324 0.000 1.005 471 S CA 0.397 58.393 58.200 -0.340 0.000 0.949 471 S CB -0.234 62.765 63.200 -0.334 0.000 0.774 471 S HN 0.595 nan 8.310 nan 0.000 0.510 472 Q N 2.348 121.898 119.800 -0.416 0.000 2.312 472 Q HA 0.426 4.764 4.340 -0.004 0.000 0.236 472 Q C -2.593 173.300 176.000 -0.178 0.000 0.965 472 Q CA -2.471 53.146 55.803 -0.309 0.000 0.894 472 Q CB -0.219 28.319 28.738 -0.334 0.000 1.225 472 Q HN 0.256 nan 8.270 nan 0.000 0.478 473 P HA 0.025 nan 4.420 nan 0.000 0.264 473 P C -2.094 175.132 177.300 -0.123 0.000 1.193 473 P CA -0.918 62.115 63.100 -0.112 0.000 0.763 473 P CB 0.058 31.699 31.700 -0.098 0.000 0.810 474 P HA -0.152 nan 4.420 nan 0.000 0.221 474 P C 0.976 178.204 177.300 -0.119 0.000 1.145 474 P CA 1.373 64.409 63.100 -0.107 0.000 0.795 474 P CB 0.041 31.696 31.700 -0.075 0.000 0.775 475 D N -1.780 118.550 120.400 -0.117 0.000 2.317 475 D HA -0.033 4.605 4.640 -0.004 0.000 0.211 475 D C 1.394 177.581 176.300 -0.189 0.000 0.966 475 D CA 1.154 55.082 54.000 -0.120 0.000 0.876 475 D CB 0.110 40.855 40.800 -0.091 0.000 0.927 475 D HN 0.237 nan 8.370 nan 0.000 0.519 476 T N -0.871 113.501 114.554 -0.302 0.000 2.901 476 T HA -0.022 4.326 4.350 -0.004 0.000 0.252 476 T C 1.497 175.793 174.700 -0.674 0.000 1.035 476 T CA 0.813 62.558 62.100 -0.592 0.000 1.142 476 T CB -0.037 68.283 68.868 -0.914 0.000 0.869 476 T HN 0.217 nan 8.240 nan 0.000 0.442 477 Y N -0.591 119.666 120.300 -0.073 0.000 2.769 477 Y HA 0.415 4.963 4.550 -0.004 0.000 0.266 477 Y C 1.902 177.767 175.900 -0.059 0.000 1.091 477 Y CA -0.682 57.391 58.100 -0.045 0.000 1.272 477 Y CB -0.398 38.030 38.460 -0.053 0.000 1.469 477 Y HN -0.039 nan 8.280 nan 0.000 0.475 478 L N 1.440 122.682 121.223 0.033 0.000 2.013 478 L HA -0.202 4.135 4.340 -0.004 0.000 0.212 478 L C 1.836 178.658 176.870 -0.080 0.000 1.073 478 L CA 2.055 56.869 54.840 -0.044 0.000 0.753 478 L CB -0.479 41.514 42.059 -0.110 0.000 0.890 478 L HN 0.069 nan 8.230 nan 0.000 0.432 479 K N -0.728 119.601 120.400 -0.118 0.000 2.007 479 K HA -0.053 4.265 4.320 -0.004 0.000 0.206 479 K C -0.245 176.329 176.600 -0.044 0.000 1.047 479 K CA 1.538 57.737 56.287 -0.146 0.000 0.937 479 K CB -1.248 31.152 32.500 -0.167 0.000 0.718 479 K HN 0.319 nan 8.250 nan 0.000 0.438 480 P HA -0.192 nan 4.420 nan 0.000 0.216 480 P C 1.249 178.587 177.300 0.063 0.000 1.150 480 P CA 0.977 64.094 63.100 0.027 0.000 0.843 480 P CB 0.111 31.830 31.700 0.030 0.000 0.787 481 L N -1.390 119.877 121.223 0.074 0.000 2.027 481 L HA -0.085 4.253 4.340 -0.004 0.000 0.206 481 L C 2.428 179.378 176.870 0.133 0.000 1.074 481 L CA 1.767 56.667 54.840 0.099 0.000 0.745 481 L CB -1.110 41.008 42.059 0.100 0.000 0.898 481 L HN -0.124 nan 8.230 nan 0.000 0.433 482 M N -1.264 118.414 119.600 0.130 0.000 2.065 482 M HA -0.262 4.216 4.480 -0.004 0.000 0.259 482 M C 2.086 178.521 176.300 0.225 0.000 1.069 482 M CA 2.574 58.028 55.300 0.256 0.000 1.110 482 M CB -0.430 32.271 32.600 0.169 0.000 1.328 482 M HN 0.342 nan 8.290 nan 0.000 0.405 483 T N 0.898 115.561 114.554 0.181 0.000 2.635 483 T HA -0.177 4.171 4.350 -0.004 0.000 0.267 483 T C 1.643 176.407 174.700 0.107 0.000 1.040 483 T CA 1.832 64.048 62.100 0.193 0.000 1.156 483 T CB -0.375 68.584 68.868 0.151 0.000 0.863 483 T HN 0.445 nan 8.240 nan 0.000 0.430 484 E N 0.536 120.790 120.200 0.090 0.000 2.152 484 E HA 0.019 4.366 4.350 -0.004 0.000 0.192 484 E C 2.214 178.847 176.600 0.055 0.000 0.983 484 E CA 0.477 56.915 56.400 0.063 0.000 0.818 484 E CB -0.437 29.301 29.700 0.063 0.000 0.758 484 E HN 0.279 nan 8.360 nan 0.000 0.467 485 L N 0.546 121.822 121.223 0.088 0.000 2.056 485 L HA -0.093 4.244 4.340 -0.004 0.000 0.207 485 L C 2.352 179.209 176.870 -0.022 0.000 1.078 485 L CA 1.156 56.054 54.840 0.097 0.000 0.749 485 L CB -0.604 41.609 42.059 0.256 0.000 0.901 485 L HN 0.088 nan 8.230 nan 0.000 0.433 486 L N -1.052 120.098 121.223 -0.122 0.000 2.131 486 L HA -0.255 4.083 4.340 -0.004 0.000 0.210 486 L C 2.432 179.208 176.870 -0.157 0.000 1.092 486 L CA 1.205 55.879 54.840 -0.278 0.000 0.759 486 L CB -0.477 41.367 42.059 -0.360 0.000 0.903 486 L HN 0.250 nan 8.230 nan 0.000 0.435 487 K N -0.624 119.731 120.400 -0.075 0.000 2.103 487 K HA -0.079 4.239 4.320 -0.004 0.000 0.204 487 K C 2.241 178.831 176.600 -0.017 0.000 1.052 487 K CA 0.703 56.964 56.287 -0.043 0.000 0.945 487 K CB -0.019 32.473 32.500 -0.013 0.000 0.722 487 K HN 0.189 nan 8.250 nan 0.000 0.443 488 R N 0.953 121.451 120.500 -0.003 0.000 2.092 488 R HA -0.008 4.330 4.340 -0.004 0.000 0.231 488 R C 2.191 178.512 176.300 0.035 0.000 1.119 488 R CA 0.906 57.018 56.100 0.020 0.000 0.970 488 R CB -0.578 29.743 30.300 0.035 0.000 0.864 488 R HN 0.277 nan 8.270 nan 0.000 0.440 489 I N 1.081 121.658 120.570 0.011 0.000 2.502 489 I HA -0.255 3.913 4.170 -0.004 0.000 0.258 489 I C 1.498 177.686 176.117 0.118 0.000 1.172 489 I CA 1.283 62.611 61.300 0.046 0.000 1.430 489 I CB -0.094 37.851 38.000 -0.092 0.000 1.086 489 I HN 0.068 nan 8.210 nan 0.000 0.440 490 L N -0.561 120.706 121.223 0.073 0.000 2.769 490 L HA 0.170 4.508 4.340 -0.004 0.000 0.240 490 L C 0.696 177.628 176.870 0.102 0.000 1.163 490 L CA -0.313 54.601 54.840 0.123 0.000 0.962 490 L CB -0.277 41.849 42.059 0.112 0.000 1.258 490 L HN 0.136 nan 8.230 nan 0.000 0.513 491 D N 1.037 121.481 120.400 0.072 0.000 2.443 491 D HA -0.090 4.548 4.640 -0.004 0.000 0.234 491 D C 1.094 177.417 176.300 0.038 0.000 1.172 491 D CA 0.462 54.486 54.000 0.040 0.000 0.878 491 D CB 1.285 42.098 40.800 0.021 0.000 1.204 491 D HN 0.189 nan 8.370 nan 0.000 0.453 492 S N 1.892 117.602 115.700 0.017 0.000 2.603 492 S HA -0.038 4.429 4.470 -0.004 0.000 0.220 492 S C 0.635 175.225 174.600 -0.016 0.000 0.967 492 S CA -0.427 57.778 58.200 0.009 0.000 0.920 492 S CB 0.062 63.265 63.200 0.006 0.000 0.773 492 S HN 0.429 nan 8.310 nan 0.000 0.529 493 N N 1.697 120.381 118.700 -0.027 0.000 2.417 493 N HA 0.207 4.945 4.740 -0.004 0.000 0.274 493 N C 0.613 176.082 175.510 -0.068 0.000 0.987 493 N CA -0.430 52.592 53.050 -0.048 0.000 0.912 493 N CB 1.331 39.787 38.487 -0.051 0.000 1.177 493 N HN 0.086 nan 8.380 nan 0.000 0.490 494 K N 3.411 123.755 120.400 -0.093 0.000 2.148 494 K HA -0.146 4.172 4.320 -0.004 0.000 0.204 494 K C 1.568 178.090 176.600 -0.129 0.000 1.050 494 K CA 0.725 56.924 56.287 -0.148 0.000 0.942 494 K CB 0.071 32.478 32.500 -0.154 0.000 0.724 494 K HN 0.525 nan 8.250 nan 0.000 0.446 495 R N 1.416 121.864 120.500 -0.087 0.000 2.096 495 R HA -0.071 4.267 4.340 -0.004 0.000 0.235 495 R C 2.147 178.422 176.300 -0.040 0.000 1.127 495 R CA 0.864 56.926 56.100 -0.062 0.000 0.968 495 R CB -0.032 30.238 30.300 -0.050 0.000 0.861 495 R HN -0.012 nan 8.270 nan 0.000 0.440 496 V N 0.920 120.812 119.914 -0.037 0.000 2.323 496 V HA -0.211 3.907 4.120 -0.004 0.000 0.244 496 V C 2.221 178.315 176.094 -0.000 0.000 1.041 496 V CA 1.721 64.016 62.300 -0.008 0.000 1.025 496 V CB -0.530 31.288 31.823 -0.009 0.000 0.656 496 V HN 0.415 nan 8.190 nan 0.000 0.451 497 Q N -0.001 119.780 119.800 -0.031 0.000 2.077 497 Q HA -0.309 4.029 4.340 -0.004 0.000 0.206 497 Q C 2.282 178.273 176.000 -0.016 0.000 0.989 497 Q CA 2.271 58.064 55.803 -0.017 0.000 0.853 497 Q CB -0.257 28.379 28.738 -0.171 0.000 0.907 497 Q HN 0.680 nan 8.270 nan 0.000 0.418 498 E N 0.291 120.442 120.200 -0.082 0.000 2.033 498 E HA -0.252 4.096 4.350 -0.004 0.000 0.199 498 E C 1.998 178.615 176.600 0.028 0.000 1.011 498 E CA 1.226 57.598 56.400 -0.047 0.000 0.815 498 E CB -0.192 29.468 29.700 -0.067 0.000 0.755 498 E HN 0.408 nan 8.360 nan 0.000 0.451 499 A N 1.043 123.888 122.820 0.041 0.000 1.883 499 A HA -0.222 4.095 4.320 -0.004 0.000 0.217 499 A C 2.343 179.999 177.584 0.121 0.000 1.186 499 A CA 2.104 54.198 52.037 0.095 0.000 0.624 499 A CB -0.900 18.159 19.000 0.099 0.000 0.822 499 A HN 0.361 nan 8.150 nan 0.000 0.444 500 A N -1.071 121.809 122.820 0.101 0.000 1.845 500 A HA -0.200 4.118 4.320 -0.004 0.000 0.215 500 A C 2.360 180.033 177.584 0.149 0.000 1.195 500 A CA 1.692 53.799 52.037 0.117 0.000 0.616 500 A CB -1.446 17.604 19.000 0.084 0.000 0.832 500 A HN 0.605 nan 8.150 nan 0.000 0.443 501 C N -1.053 118.326 119.300 0.132 0.000 2.398 501 C HA -0.112 4.346 4.460 -0.004 0.000 0.276 501 C C 3.384 178.473 174.990 0.165 0.000 1.222 501 C CA 1.689 60.795 59.018 0.146 0.000 1.746 501 C CB -1.096 26.724 27.740 0.133 0.000 2.039 501 C HN 0.713 nan 8.230 nan 0.000 0.470 502 S N 0.121 115.902 115.700 0.135 0.000 2.368 502 S HA -0.101 4.366 4.470 -0.004 0.000 0.224 502 S C 2.028 176.714 174.600 0.144 0.000 1.029 502 S CA 1.667 59.945 58.200 0.131 0.000 0.988 502 S CB -0.333 62.942 63.200 0.124 0.000 0.838 502 S HN 0.620 nan 8.310 nan 0.000 0.462 503 A N 0.361 123.277 122.820 0.161 0.000 1.902 503 A HA 0.015 4.333 4.320 -0.004 0.000 0.217 503 A C 1.991 179.654 177.584 0.131 0.000 1.181 503 A CA 1.524 53.643 52.037 0.136 0.000 0.623 503 A CB -1.109 17.977 19.000 0.143 0.000 0.818 503 A HN 0.644 nan 8.150 nan 0.000 0.443 504 F N 0.710 120.683 119.950 0.039 0.000 2.234 504 F HA -0.026 4.499 4.527 -0.004 0.000 0.299 504 F C 2.515 178.329 175.800 0.023 0.000 1.087 504 F CA 0.855 58.870 58.000 0.025 0.000 1.340 504 F CB -0.212 38.799 39.000 0.017 0.000 1.031 504 F HN 0.257 nan 8.300 nan 0.000 0.500 505 A N -0.765 122.137 122.820 0.136 0.000 1.902 505 A HA -0.174 4.144 4.320 -0.004 0.000 0.217 505 A C 2.206 179.779 177.584 -0.017 0.000 1.181 505 A CA 2.233 54.307 52.037 0.062 0.000 0.623 505 A CB -1.354 17.703 19.000 0.096 0.000 0.818 505 A HN 0.373 nan 8.150 nan 0.000 0.443 506 T N 0.084 114.635 114.554 -0.006 0.000 2.746 506 T HA -0.139 4.209 4.350 -0.004 0.000 0.267 506 T C 1.819 176.467 174.700 -0.088 0.000 1.039 506 T CA 1.542 63.626 62.100 -0.028 0.000 1.142 506 T CB -0.346 68.518 68.868 -0.007 0.000 0.866 506 T HN 0.314 nan 8.240 nan 0.000 0.444 507 L N 1.290 122.416 121.223 -0.163 0.000 2.093 507 L HA -0.012 4.325 4.340 -0.004 0.000 0.208 507 L C 2.249 178.937 176.870 -0.303 0.000 1.085 507 L CA 1.755 56.446 54.840 -0.248 0.000 0.755 507 L CB -0.573 41.269 42.059 -0.361 0.000 0.904 507 L HN 0.245 nan 8.230 nan 0.000 0.435 508 E N -0.619 119.357 120.200 -0.372 0.000 2.077 508 E HA -0.278 4.070 4.350 -0.004 0.000 0.193 508 E C 2.066 178.586 176.600 -0.134 0.000 0.989 508 E CA 1.353 57.591 56.400 -0.271 0.000 0.800 508 E CB -0.137 29.443 29.700 -0.199 0.000 0.746 508 E HN 0.609 nan 8.360 nan 0.000 0.452 509 E N 0.636 120.780 120.200 -0.093 0.000 2.085 509 E HA -0.255 4.092 4.350 -0.004 0.000 0.194 509 E C 1.841 178.418 176.600 -0.038 0.000 0.994 509 E CA 1.193 57.567 56.400 -0.044 0.000 0.801 509 E CB 0.141 29.828 29.700 -0.023 0.000 0.743 509 E HN 0.037 nan 8.360 nan 0.000 0.453 510 E N -0.455 119.714 120.200 -0.051 0.000 2.230 510 E HA 0.089 4.437 4.350 -0.004 0.000 0.192 510 E C -0.591 175.971 176.600 -0.063 0.000 0.987 510 E CA 0.690 57.074 56.400 -0.028 0.000 0.841 510 E CB 0.552 30.244 29.700 -0.013 0.000 0.783 510 E HN 0.218 nan 8.360 nan 0.000 0.481 511 A N -0.251 122.511 122.820 -0.098 0.000 2.536 511 A HA 0.364 4.682 4.320 -0.004 0.000 0.329 511 A C 0.413 177.940 177.584 -0.095 0.000 1.321 511 A CA -0.685 51.287 52.037 -0.109 0.000 0.804 511 A CB -0.119 18.798 19.000 -0.139 0.000 1.126 511 A HN 0.287 nan 8.150 nan 0.000 0.480 512 C N 0.280 119.539 119.300 -0.067 0.000 6.530 512 C HA 0.007 4.465 4.460 -0.004 0.000 0.278 512 C C 2.719 177.673 174.990 -0.060 0.000 1.366 512 C CA 1.511 60.498 59.018 -0.051 0.000 1.855 512 C CB -0.982 26.743 27.740 -0.025 0.000 1.986 512 C HN 0.785 nan 8.230 nan 0.000 0.445 513 T N 0.842 115.359 114.554 -0.062 0.000 2.760 513 T HA -0.234 4.114 4.350 -0.004 0.000 0.269 513 T C 1.478 176.116 174.700 -0.103 0.000 1.047 513 T CA 1.930 63.958 62.100 -0.120 0.000 1.139 513 T CB -0.479 68.334 68.868 -0.092 0.000 0.855 513 T HN 0.492 nan 8.240 nan 0.000 0.471 514 E N 0.618 120.777 120.200 -0.067 0.000 2.273 514 E HA -0.045 4.303 4.350 -0.004 0.000 0.198 514 E C 1.695 178.295 176.600 0.001 0.000 1.002 514 E CA 0.724 57.097 56.400 -0.045 0.000 0.828 514 E CB -0.359 29.297 29.700 -0.074 0.000 0.747 514 E HN 0.521 nan 8.360 nan 0.000 0.491 515 L N -1.226 119.994 121.223 -0.005 0.000 2.567 515 L HA 0.037 4.375 4.340 -0.004 0.000 0.225 515 L C 1.887 178.849 176.870 0.153 0.000 1.119 515 L CA -0.136 54.750 54.840 0.077 0.000 0.871 515 L CB 0.138 42.202 42.059 0.009 0.000 1.036 515 L HN 0.003 nan 8.230 nan 0.000 0.459 516 V N 1.221 121.143 119.914 0.014 0.000 2.278 516 V HA -0.214 3.904 4.120 -0.004 0.000 0.251 516 V C -0.380 175.711 176.094 -0.005 0.000 1.062 516 V CA 2.109 64.372 62.300 -0.062 0.000 1.038 516 V CB -1.472 30.175 31.823 -0.292 0.000 0.646 516 V HN 0.397 nan 8.190 nan 0.000 0.447 517 P HA -0.076 nan 4.420 nan 0.000 0.239 517 P C 0.348 177.354 177.300 -0.490 0.000 1.184 517 P CA 1.266 64.209 63.100 -0.262 0.000 0.760 517 P CB -0.234 31.216 31.700 -0.416 0.000 0.884 518 Y N -3.254 117.058 120.300 0.020 0.000 2.588 518 Y HA 0.177 4.725 4.550 -0.004 0.000 0.247 518 Y C 1.697 177.651 175.900 0.090 0.000 1.157 518 Y CA -0.517 57.629 58.100 0.077 0.000 1.215 518 Y CB -0.240 38.283 38.460 0.106 0.000 1.245 518 Y HN -0.236 nan 8.280 nan 0.000 0.534 519 L N 0.856 122.114 121.223 0.058 0.000 2.013 519 L HA -0.263 4.074 4.340 -0.004 0.000 0.212 519 L C 2.493 179.266 176.870 -0.161 0.000 1.073 519 L CA 2.255 56.987 54.840 -0.179 0.000 0.753 519 L CB -1.114 40.574 42.059 -0.618 0.000 0.890 519 L HN 0.316 nan 8.230 nan 0.000 0.432 520 A N -2.173 120.650 122.820 0.004 0.000 1.933 520 A HA -0.278 4.039 4.320 -0.004 0.000 0.218 520 A C 2.291 179.968 177.584 0.156 0.000 1.175 520 A CA 1.619 53.749 52.037 0.154 0.000 0.628 520 A CB -0.919 18.245 19.000 0.273 0.000 0.814 520 A HN 0.510 nan 8.150 nan 0.000 0.444 521 Y N 0.316 120.646 120.300 0.051 0.000 2.163 521 Y HA -0.116 4.431 4.550 -0.004 0.000 0.288 521 Y C 1.956 177.875 175.900 0.032 0.000 1.136 521 Y CA 1.554 59.688 58.100 0.056 0.000 1.147 521 Y CB -0.264 38.263 38.460 0.112 0.000 0.987 521 Y HN 0.261 nan 8.280 nan 0.000 0.509 522 I N -0.377 120.234 120.570 0.069 0.000 2.113 522 I HA -0.346 3.822 4.170 -0.004 0.000 0.238 522 I C 2.345 178.405 176.117 -0.095 0.000 1.070 522 I CA 1.514 62.785 61.300 -0.047 0.000 1.332 522 I CB -0.588 37.493 38.000 0.136 0.000 1.044 522 I HN 0.188 nan 8.210 nan 0.000 0.402 523 L N 0.220 121.422 121.223 -0.034 0.000 2.081 523 L HA -0.288 4.050 4.340 -0.004 0.000 0.212 523 L C 2.362 179.234 176.870 0.004 0.000 1.080 523 L CA 1.296 56.132 54.840 -0.007 0.000 0.754 523 L CB -0.767 41.295 42.059 0.005 0.000 0.893 523 L HN 0.383 nan 8.230 nan 0.000 0.433 524 D N -0.275 120.116 120.400 -0.015 0.000 2.126 524 D HA -0.208 4.430 4.640 -0.004 0.000 0.190 524 D C 1.956 178.240 176.300 -0.027 0.000 1.001 524 D CA 2.133 56.123 54.000 -0.016 0.000 0.841 524 D CB 0.139 40.903 40.800 -0.060 0.000 0.949 524 D HN 0.254 nan 8.370 nan 0.000 0.446 525 T N 0.669 115.140 114.554 -0.137 0.000 2.851 525 T HA 0.006 4.354 4.350 -0.004 0.000 0.262 525 T C 2.157 176.806 174.700 -0.086 0.000 1.043 525 T CA 0.453 62.471 62.100 -0.136 0.000 1.140 525 T CB -0.063 68.628 68.868 -0.295 0.000 0.872 525 T HN 0.147 nan 8.240 nan 0.000 0.446 526 L N 0.762 121.911 121.223 -0.124 0.000 2.046 526 L HA -0.059 4.278 4.340 -0.004 0.000 0.208 526 L C 2.628 179.500 176.870 0.004 0.000 1.077 526 L CA 0.954 55.719 54.840 -0.125 0.000 0.747 526 L CB -0.821 41.193 42.059 -0.075 0.000 0.896 526 L HN 0.131 nan 8.230 nan 0.000 0.432 527 V N -0.481 119.515 119.914 0.136 0.000 2.515 527 V HA -0.284 3.834 4.120 -0.004 0.000 0.250 527 V C 2.214 178.445 176.094 0.228 0.000 1.058 527 V CA 1.682 64.145 62.300 0.271 0.000 1.064 527 V CB -0.547 31.371 31.823 0.157 0.000 0.675 527 V HN 0.342 nan 8.190 nan 0.000 0.461 528 F N 1.454 121.407 119.950 0.005 0.000 2.259 528 F HA -0.007 4.518 4.527 -0.004 0.000 0.298 528 F C 2.233 177.988 175.800 -0.076 0.000 1.088 528 F CA 1.054 59.039 58.000 -0.025 0.000 1.358 528 F CB -0.337 38.626 39.000 -0.062 0.000 1.040 528 F HN 0.079 nan 8.300 nan 0.000 0.505 529 A N -0.062 122.632 122.820 -0.209 0.000 1.972 529 A HA -0.182 4.135 4.320 -0.004 0.000 0.219 529 A C 2.081 179.314 177.584 -0.584 0.000 1.169 529 A CA 1.467 53.156 52.037 -0.579 0.000 0.635 529 A CB -1.581 16.860 19.000 -0.932 0.000 0.810 529 A HN 0.461 nan 8.150 nan 0.000 0.446 530 F N 1.177 120.907 119.950 -0.367 0.000 2.120 530 F HA -0.285 4.240 4.527 -0.004 0.000 0.300 530 F C 3.014 178.703 175.800 -0.185 0.000 1.095 530 F CA 2.024 59.893 58.000 -0.217 0.000 1.249 530 F CB -0.123 38.806 39.000 -0.118 0.000 0.995 530 F HN 0.406 nan 8.300 nan 0.000 0.480 531 S N -0.569 115.070 115.700 -0.103 0.000 2.395 531 S HA -0.181 4.287 4.470 -0.004 0.000 0.225 531 S C 1.932 176.433 174.600 -0.165 0.000 1.027 531 S CA 1.061 59.166 58.200 -0.158 0.000 0.965 531 S CB -0.405 62.627 63.200 -0.281 0.000 0.812 531 S HN 0.425 nan 8.310 nan 0.000 0.482 532 K N 0.014 120.262 120.400 -0.254 0.000 2.116 532 K HA 0.097 4.415 4.320 -0.004 0.000 0.203 532 K C 0.079 176.739 176.600 0.102 0.000 1.052 532 K CA 0.134 56.367 56.287 -0.091 0.000 0.952 532 K CB -0.167 32.279 32.500 -0.090 0.000 0.729 532 K HN 0.496 nan 8.250 nan 0.000 0.446 533 Y N 1.980 122.194 120.300 -0.143 0.000 2.480 533 Y HA -0.032 4.516 4.550 -0.004 0.000 0.338 533 Y C 0.934 176.783 175.900 -0.083 0.000 1.220 533 Y CA -1.085 56.936 58.100 -0.131 0.000 1.430 533 Y CB 0.797 39.130 38.460 -0.210 0.000 1.311 533 Y HN 0.213 nan 8.280 nan 0.000 0.575 534 Q N 0.695 120.489 119.800 -0.009 0.000 2.293 534 Q HA 0.062 4.399 4.340 -0.004 0.000 0.216 534 Q C 0.940 176.938 176.000 -0.003 0.000 1.003 534 Q CA -0.461 55.347 55.803 0.007 0.000 0.995 534 Q CB 0.433 29.167 28.738 -0.006 0.000 1.172 534 Q HN 0.813 nan 8.270 nan 0.000 0.518 535 H N 1.169 120.225 119.070 -0.023 0.000 2.255 535 H HA -0.175 4.379 4.556 -0.004 0.000 0.290 535 H C 1.306 176.616 175.328 -0.030 0.000 1.087 535 H CA 2.867 58.912 56.048 -0.004 0.000 1.213 535 H CB 0.321 30.091 29.762 0.014 0.000 1.349 535 H HN 0.429 nan 8.280 nan 0.000 0.487 536 K N -0.450 119.710 120.400 -0.400 0.000 2.147 536 K HA -0.116 4.201 4.320 -0.004 0.000 0.205 536 K C 2.159 178.563 176.600 -0.327 0.000 1.049 536 K CA 1.687 57.712 56.287 -0.437 0.000 0.936 536 K CB -0.085 32.309 32.500 -0.178 0.000 0.722 536 K HN 0.494 nan 8.250 nan 0.000 0.446 537 N N 0.412 118.917 118.700 -0.325 0.000 2.300 537 N HA -0.021 4.717 4.740 -0.004 0.000 0.179 537 N C 1.555 176.926 175.510 -0.232 0.000 1.016 537 N CA 0.308 53.125 53.050 -0.388 0.000 0.876 537 N CB 0.072 38.058 38.487 -0.834 0.000 0.979 537 N HN 0.017 nan 8.380 nan 0.000 0.432 538 L N 0.830 121.927 121.223 -0.210 0.000 2.081 538 L HA -0.201 4.137 4.340 -0.004 0.000 0.212 538 L C 1.863 178.421 176.870 -0.520 0.000 1.080 538 L CA 1.030 55.674 54.840 -0.326 0.000 0.754 538 L CB -0.349 41.546 42.059 -0.273 0.000 0.893 538 L HN 0.300 nan 8.230 nan 0.000 0.433 539 L N -0.775 120.295 121.223 -0.255 0.000 2.093 539 L HA -0.224 4.114 4.340 -0.004 0.000 0.208 539 L C 2.371 179.242 176.870 0.001 0.000 1.085 539 L CA 1.253 56.074 54.840 -0.033 0.000 0.755 539 L CB -0.466 41.587 42.059 -0.011 0.000 0.904 539 L HN 0.288 nan 8.230 nan 0.000 0.435 540 I N -0.484 120.053 120.570 -0.054 0.000 2.617 540 I HA -0.217 3.951 4.170 -0.004 0.000 0.256 540 I C 2.451 178.575 176.117 0.011 0.000 1.167 540 I CA 0.611 61.914 61.300 0.005 0.000 1.469 540 I CB -0.077 37.923 38.000 0.000 0.000 1.098 540 I HN 0.229 nan 8.210 nan 0.000 0.436 541 L N 0.638 121.816 121.223 -0.074 0.000 2.093 541 L HA -0.202 4.136 4.340 -0.004 0.000 0.208 541 L C 2.378 179.183 176.870 -0.108 0.000 1.085 541 L CA 1.937 56.680 54.840 -0.161 0.000 0.755 541 L CB -0.770 41.049 42.059 -0.400 0.000 0.904 541 L HN 0.161 nan 8.230 nan 0.000 0.435 542 Y N -0.680 119.615 120.300 -0.008 0.000 2.224 542 Y HA -0.297 4.251 4.550 -0.004 0.000 0.289 542 Y C 2.484 178.426 175.900 0.069 0.000 1.146 542 Y CA 0.982 59.116 58.100 0.056 0.000 1.182 542 Y CB -0.335 38.186 38.460 0.102 0.000 0.983 542 Y HN 0.353 nan 8.280 nan 0.000 0.524 543 D N 0.186 120.713 120.400 0.211 0.000 2.117 543 D HA -0.185 4.453 4.640 -0.004 0.000 0.197 543 D C 2.166 178.541 176.300 0.126 0.000 0.987 543 D CA 1.371 55.461 54.000 0.150 0.000 0.829 543 D CB -0.203 40.668 40.800 0.117 0.000 0.961 543 D HN 0.230 nan 8.370 nan 0.000 0.460 544 A N 0.137 123.027 122.820 0.117 0.000 1.877 544 A HA -0.117 4.201 4.320 -0.004 0.000 0.216 544 A C 2.455 180.120 177.584 0.135 0.000 1.186 544 A CA 1.474 53.591 52.037 0.133 0.000 0.620 544 A CB -0.877 18.202 19.000 0.132 0.000 0.822 544 A HN 0.385 nan 8.150 nan 0.000 0.443 545 I N -0.295 120.352 120.570 0.129 0.000 2.179 545 I HA -0.195 3.973 4.170 -0.004 0.000 0.242 545 I C 2.716 178.908 176.117 0.125 0.000 1.088 545 I CA 1.256 62.641 61.300 0.141 0.000 1.357 545 I CB -0.627 37.492 38.000 0.197 0.000 1.051 545 I HN 0.384 nan 8.210 nan 0.000 0.409 546 G N -0.222 108.656 108.800 0.130 0.000 2.432 546 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.219 546 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.219 546 G C 1.653 176.595 174.900 0.070 0.000 1.135 546 G CA 1.421 46.577 45.100 0.092 0.000 0.767 546 G HN 0.307 nan 8.290 nan 0.000 0.550 547 T N 0.751 115.351 114.554 0.076 0.000 2.904 547 T HA -0.026 4.321 4.350 -0.004 0.000 0.267 547 T C 2.199 176.924 174.700 0.042 0.000 1.059 547 T CA 0.807 62.938 62.100 0.053 0.000 1.137 547 T CB -0.085 68.814 68.868 0.051 0.000 0.879 547 T HN 0.139 nan 8.240 nan 0.000 0.467 548 L N 1.649 122.910 121.223 0.063 0.000 2.046 548 L HA 0.090 4.428 4.340 -0.004 0.000 0.208 548 L C 2.596 179.490 176.870 0.040 0.000 1.077 548 L CA 1.767 56.640 54.840 0.054 0.000 0.747 548 L CB -0.967 41.145 42.059 0.088 0.000 0.896 548 L HN 0.210 nan 8.230 nan 0.000 0.432 549 A N -0.733 122.115 122.820 0.046 0.000 1.902 549 A HA -0.226 4.092 4.320 -0.004 0.000 0.217 549 A C 1.981 179.584 177.584 0.030 0.000 1.181 549 A CA 1.979 54.039 52.037 0.038 0.000 0.623 549 A CB -0.833 18.186 19.000 0.031 0.000 0.818 549 A HN 0.538 nan 8.150 nan 0.000 0.443 550 D N -0.208 120.208 120.400 0.026 0.000 2.144 550 D HA -0.050 4.588 4.640 -0.004 0.000 0.200 550 D C 2.185 178.498 176.300 0.021 0.000 0.978 550 D CA 1.567 55.580 54.000 0.021 0.000 0.833 550 D CB -0.329 40.482 40.800 0.019 0.000 0.961 550 D HN 0.395 nan 8.370 nan 0.000 0.470 551 S N -0.389 115.321 115.700 0.015 0.000 2.436 551 S HA -0.004 4.463 4.470 -0.004 0.000 0.228 551 S C 2.038 176.645 174.600 0.011 0.000 1.014 551 S CA 0.153 58.355 58.200 0.004 0.000 0.950 551 S CB 0.444 63.633 63.200 -0.018 0.000 0.784 551 S HN 0.063 nan 8.310 nan 0.000 0.504 552 V N 0.307 120.234 119.914 0.022 0.000 3.431 552 V HA 0.280 4.398 4.120 -0.004 0.000 0.253 552 V C 1.486 177.624 176.094 0.074 0.000 1.184 552 V CA 0.762 63.083 62.300 0.035 0.000 1.104 552 V CB -0.509 31.324 31.823 0.017 0.000 0.799 552 V HN 0.598 nan 8.190 nan 0.000 0.462 553 G N 1.447 110.278 108.800 0.053 0.000 2.566 553 G HA2 -0.410 3.548 3.960 -0.004 0.000 0.280 553 G HA3 -0.410 3.548 3.960 -0.004 0.000 0.280 553 G C 0.891 175.810 174.900 0.031 0.000 1.225 553 G CA 0.706 45.836 45.100 0.050 0.000 0.966 553 G HN 0.691 nan 8.290 nan 0.000 0.560 554 H N 0.545 119.621 119.070 0.010 0.000 2.518 554 H HA -0.084 4.469 4.556 -0.004 0.000 0.292 554 H C 1.946 177.266 175.328 -0.014 0.000 1.068 554 H CA 1.862 57.893 56.048 -0.029 0.000 1.275 554 H CB -0.510 29.195 29.762 -0.094 0.000 1.375 554 H HN 0.696 nan 8.280 nan 0.000 0.563 555 H N 0.255 119.114 119.070 -0.352 0.000 2.518 555 H HA -0.061 4.493 4.556 -0.004 0.000 0.289 555 H C 2.095 177.506 175.328 0.138 0.000 1.051 555 H CA 0.963 56.925 56.048 -0.142 0.000 1.280 555 H CB 0.147 29.807 29.762 -0.171 0.000 1.380 555 H HN 0.344 nan 8.280 nan 0.000 0.566 556 L N 1.069 122.427 121.223 0.225 0.000 2.395 556 L HA -0.005 4.333 4.340 -0.004 0.000 0.218 556 L C 0.828 177.912 176.870 0.356 0.000 1.130 556 L CA 0.608 55.629 54.840 0.302 0.000 0.826 556 L CB -0.225 41.928 42.059 0.156 0.000 0.941 556 L HN -0.022 nan 8.230 nan 0.000 0.451 557 N N 1.668 120.507 118.700 0.232 0.000 2.819 557 N HA 0.055 4.793 4.740 -0.004 0.000 0.284 557 N C -1.189 174.387 175.510 0.110 0.000 1.196 557 N CA 0.268 53.420 53.050 0.170 0.000 1.114 557 N CB -0.239 38.336 38.487 0.147 0.000 1.437 557 N HN 0.136 nan 8.380 nan 0.000 0.518 558 K N 2.190 122.618 120.400 0.046 0.000 2.498 558 K HA 0.339 4.657 4.320 -0.004 0.000 0.254 558 K C -1.952 174.586 176.600 -0.102 0.000 0.933 558 K CA -1.692 54.526 56.287 -0.114 0.000 0.806 558 K CB 1.680 33.945 32.500 -0.390 0.000 1.301 558 K HN -0.055 nan 8.250 nan 0.000 0.432 559 P HA -0.333 nan 4.420 nan 0.000 0.221 559 P C 1.113 178.389 177.300 -0.039 0.000 1.160 559 P CA 2.051 65.133 63.100 -0.029 0.000 0.933 559 P CB 0.247 31.926 31.700 -0.036 0.000 0.793 560 E N -1.753 118.366 120.200 -0.135 0.000 2.204 560 E HA -0.206 4.142 4.350 -0.004 0.000 0.194 560 E C 1.866 178.510 176.600 0.073 0.000 0.989 560 E CA 1.060 57.419 56.400 -0.069 0.000 0.824 560 E CB -1.150 28.488 29.700 -0.103 0.000 0.756 560 E HN 0.407 nan 8.360 nan 0.000 0.477 561 Y N 0.848 121.182 120.300 0.056 0.000 2.176 561 Y HA 0.020 4.568 4.550 -0.004 0.000 0.291 561 Y C 2.411 178.338 175.900 0.045 0.000 1.122 561 Y CA 0.220 58.354 58.100 0.057 0.000 1.128 561 Y CB -0.117 38.383 38.460 0.067 0.000 1.005 561 Y HN -0.053 nan 8.280 nan 0.000 0.509 562 I N 0.508 121.197 120.570 0.197 0.000 2.248 562 I HA -0.370 3.797 4.170 -0.004 0.000 0.248 562 I C 2.377 178.529 176.117 0.058 0.000 1.107 562 I CA 1.573 62.939 61.300 0.111 0.000 1.373 562 I CB -0.377 37.702 38.000 0.131 0.000 1.055 562 I HN 0.352 nan 8.210 nan 0.000 0.418 563 Q N 0.303 120.155 119.800 0.087 0.000 2.230 563 Q HA -0.131 4.206 4.340 -0.004 0.000 0.202 563 Q C 2.245 178.278 176.000 0.054 0.000 0.963 563 Q CA 1.101 56.951 55.803 0.078 0.000 0.866 563 Q CB 0.134 28.916 28.738 0.072 0.000 0.931 563 Q HN 0.641 nan 8.270 nan 0.000 0.452 564 M N -2.314 117.328 119.600 0.069 0.000 2.545 564 M HA 0.116 4.594 4.480 -0.004 0.000 0.264 564 M C 1.609 177.922 176.300 0.022 0.000 1.155 564 M CA 0.499 55.833 55.300 0.057 0.000 1.162 564 M CB 0.011 32.666 32.600 0.093 0.000 1.330 564 M HN 0.085 nan 8.290 nan 0.000 0.479 565 L N 1.100 122.339 121.223 0.027 0.000 2.084 565 L HA 0.118 4.456 4.340 -0.004 0.000 0.202 565 L C 2.356 179.165 176.870 -0.102 0.000 1.074 565 L CA 1.677 56.519 54.840 0.003 0.000 0.757 565 L CB -0.450 41.644 42.059 0.058 0.000 0.918 565 L HN 0.236 nan 8.230 nan 0.000 0.444 566 M N -0.150 119.337 119.600 -0.188 0.000 2.086 566 M HA -0.062 4.416 4.480 -0.004 0.000 0.261 566 M C -0.033 176.041 176.300 -0.377 0.000 1.067 566 M CA 1.636 56.684 55.300 -0.421 0.000 1.116 566 M CB -2.365 29.651 32.600 -0.974 0.000 1.348 566 M HN 0.085 nan 8.290 nan 0.000 0.407 567 P HA -0.162 nan 4.420 nan 0.000 0.216 567 P C -1.323 175.893 177.300 -0.140 0.000 1.167 567 P CA 2.079 65.119 63.100 -0.100 0.000 0.914 567 P CB -1.549 30.128 31.700 -0.038 0.000 0.793 568 P HA -0.049 nan 4.420 nan 0.000 0.223 568 P C 1.583 178.648 177.300 -0.391 0.000 1.151 568 P CA 1.006 63.874 63.100 -0.388 0.000 0.787 568 P CB -0.422 30.849 31.700 -0.715 0.000 0.788 569 L N -1.189 119.864 121.223 -0.283 0.000 2.072 569 L HA -0.109 4.229 4.340 -0.004 0.000 0.205 569 L C 2.396 179.294 176.870 0.048 0.000 1.079 569 L CA 1.261 56.061 54.840 -0.066 0.000 0.752 569 L CB -0.590 41.465 42.059 -0.007 0.000 0.906 569 L HN -0.071 nan 8.230 nan 0.000 0.436 570 I N -0.717 119.854 120.570 0.002 0.000 2.286 570 I HA -0.293 3.875 4.170 -0.004 0.000 0.248 570 I C 2.656 178.878 176.117 0.175 0.000 1.115 570 I CA 1.182 62.539 61.300 0.095 0.000 1.392 570 I CB -0.225 37.814 38.000 0.065 0.000 1.065 570 I HN 0.441 nan 8.210 nan 0.000 0.418 571 Q N 0.698 120.549 119.800 0.084 0.000 2.014 571 Q HA -0.246 4.091 4.340 -0.004 0.000 0.207 571 Q C 2.157 178.238 176.000 0.135 0.000 0.993 571 Q CA 1.499 57.353 55.803 0.086 0.000 0.850 571 Q CB -0.157 28.592 28.738 0.019 0.000 0.916 571 Q HN 0.377 nan 8.270 nan 0.000 0.417 572 K N -0.126 120.367 120.400 0.155 0.000 2.281 572 K HA -0.172 4.146 4.320 -0.004 0.000 0.203 572 K C 1.593 178.331 176.600 0.230 0.000 1.046 572 K CA 0.708 57.130 56.287 0.226 0.000 0.938 572 K CB -0.304 32.414 32.500 0.364 0.000 0.737 572 K HN 0.492 nan 8.250 nan 0.000 0.458 573 W N 2.159 123.492 121.300 0.053 0.000 2.488 573 W HA -0.021 4.637 4.660 -0.004 0.000 0.304 573 W C 0.035 176.578 176.519 0.040 0.000 1.175 573 W CA 0.515 57.884 57.345 0.041 0.000 1.365 573 W CB -0.094 29.390 29.460 0.041 0.000 1.131 573 W HN -0.054 nan 8.180 nan 0.000 0.520 574 N N 1.444 120.309 118.700 0.275 0.000 3.167 574 N HA -0.001 4.737 4.740 -0.004 0.000 0.318 574 N C 0.699 176.240 175.510 0.052 0.000 1.268 574 N CA 0.862 53.995 53.050 0.140 0.000 1.197 574 N CB -0.417 38.177 38.487 0.179 0.000 1.464 574 N HN 0.326 nan 8.380 nan 0.000 0.555 575 M N -0.662 118.931 119.600 -0.012 0.000 2.525 575 M HA 0.061 4.539 4.480 -0.004 0.000 0.467 575 M C -1.267 175.008 176.300 -0.042 0.000 1.139 575 M CA 0.013 55.310 55.300 -0.004 0.000 1.056 575 M CB 0.338 32.964 32.600 0.044 0.000 2.277 575 M HN -0.008 nan 8.290 nan 0.000 0.788 576 L N 2.837 123.989 121.223 -0.119 0.000 2.361 576 L HA 0.204 4.542 4.340 -0.004 0.000 0.278 576 L C 0.263 177.050 176.870 -0.139 0.000 1.113 576 L CA -0.037 54.719 54.840 -0.140 0.000 0.849 576 L CB 0.433 42.335 42.059 -0.261 0.000 1.155 576 L HN 0.045 nan 8.230 nan 0.000 0.452 577 K N 2.139 122.486 120.400 -0.089 0.000 2.168 577 K HA 0.026 4.344 4.320 -0.004 0.000 0.258 577 K C 0.893 177.425 176.600 -0.113 0.000 1.010 577 K CA -0.108 56.127 56.287 -0.085 0.000 0.929 577 K CB 0.604 33.071 32.500 -0.054 0.000 0.998 577 K HN 0.431 nan 8.250 nan 0.000 0.479 578 D N 1.657 121.988 120.400 -0.114 0.000 2.116 578 D HA -0.184 4.454 4.640 -0.004 0.000 0.193 578 D C 1.103 177.314 176.300 -0.149 0.000 0.998 578 D CA 1.418 55.332 54.000 -0.144 0.000 0.836 578 D CB 0.383 41.114 40.800 -0.114 0.000 0.951 578 D HN 0.516 nan 8.370 nan 0.000 0.449 579 E N 0.960 121.107 120.200 -0.088 0.000 1.998 579 E HA -0.124 4.224 4.350 -0.004 0.000 0.196 579 E C 0.213 176.799 176.600 -0.024 0.000 1.003 579 E CA 0.384 56.754 56.400 -0.050 0.000 0.829 579 E CB -0.842 28.844 29.700 -0.023 0.000 0.777 579 E HN 0.193 nan 8.360 nan 0.000 0.460 580 D N 1.307 121.700 120.400 -0.011 0.000 7.547 580 D HA -0.176 4.462 4.640 -0.004 0.000 0.125 580 D C 0.250 176.617 176.300 0.113 0.000 1.148 580 D CA 0.834 54.854 54.000 0.033 0.000 0.811 580 D CB -0.056 40.749 40.800 0.009 0.000 1.599 580 D HN 0.055 nan 8.370 nan 0.000 0.920 581 K N 1.720 122.223 120.400 0.171 0.000 2.745 581 K HA 0.030 4.348 4.320 -0.004 0.000 0.223 581 K C 0.359 177.135 176.600 0.294 0.000 1.057 581 K CA -0.062 56.384 56.287 0.265 0.000 1.217 581 K CB 0.242 32.886 32.500 0.241 0.000 0.993 581 K HN 0.215 nan 8.250 nan 0.000 0.478 582 D N 0.084 120.646 120.400 0.269 0.000 2.249 582 D HA -0.101 4.537 4.640 -0.004 0.000 0.205 582 D C 1.395 177.829 176.300 0.222 0.000 0.962 582 D CA 0.367 54.545 54.000 0.297 0.000 0.860 582 D CB 0.202 41.175 40.800 0.287 0.000 0.955 582 D HN 0.215 nan 8.370 nan 0.000 0.505 583 L N -0.390 120.942 121.223 0.181 0.000 2.012 583 L HA -0.143 4.195 4.340 -0.004 0.000 0.210 583 L C 1.905 178.909 176.870 0.223 0.000 1.073 583 L CA 1.595 56.507 54.840 0.120 0.000 0.748 583 L CB -0.551 41.542 42.059 0.056 0.000 0.891 583 L HN 0.037 nan 8.230 nan 0.000 0.431 584 F N 0.139 120.228 119.950 0.231 0.000 2.102 584 F HA -0.117 4.408 4.527 -0.004 0.000 0.298 584 F C -0.413 175.452 175.800 0.109 0.000 1.105 584 F CA 1.766 59.870 58.000 0.173 0.000 1.239 584 F CB -1.149 37.907 39.000 0.093 0.000 0.991 584 F HN 0.201 nan 8.300 nan 0.000 0.474 585 P HA -0.122 nan 4.420 nan 0.000 0.221 585 P C 1.590 178.927 177.300 0.062 0.000 1.150 585 P CA 0.944 64.198 63.100 0.257 0.000 0.800 585 P CB 0.011 31.913 31.700 0.338 0.000 0.787 586 L N -1.281 119.898 121.223 -0.074 0.000 2.313 586 L HA 0.033 4.371 4.340 -0.004 0.000 0.214 586 L C 2.025 178.926 176.870 0.051 0.000 1.119 586 L CA 1.320 56.016 54.840 -0.240 0.000 0.809 586 L CB -1.098 40.825 42.059 -0.227 0.000 0.933 586 L HN -0.127 nan 8.230 nan 0.000 0.449 587 L N -0.966 120.330 121.223 0.121 0.000 2.056 587 L HA -0.160 4.177 4.340 -0.004 0.000 0.207 587 L C 2.355 179.238 176.870 0.023 0.000 1.078 587 L CA 1.273 56.184 54.840 0.118 0.000 0.749 587 L CB -0.394 41.673 42.059 0.014 0.000 0.901 587 L HN 0.317 nan 8.230 nan 0.000 0.433 588 E N -1.026 119.193 120.200 0.030 0.000 2.208 588 E HA -0.213 4.135 4.350 -0.004 0.000 0.193 588 E C 2.232 178.851 176.600 0.031 0.000 0.988 588 E CA 1.129 57.552 56.400 0.038 0.000 0.828 588 E CB -0.136 29.623 29.700 0.099 0.000 0.763 588 E HN 0.541 nan 8.360 nan 0.000 0.478 589 C N 0.728 120.048 119.300 0.034 0.000 2.508 589 C HA -0.086 4.372 4.460 -0.004 0.000 0.280 589 C C 2.468 177.451 174.990 -0.011 0.000 1.262 589 C CA 0.388 59.432 59.018 0.042 0.000 1.706 589 C CB -0.822 26.953 27.740 0.058 0.000 2.078 589 C HN 0.284 nan 8.230 nan 0.000 0.480 590 L N 1.240 122.434 121.223 -0.048 0.000 2.079 590 L HA -0.076 4.262 4.340 -0.004 0.000 0.210 590 L C 2.917 179.650 176.870 -0.229 0.000 1.081 590 L CA 2.189 56.946 54.840 -0.137 0.000 0.752 590 L CB -1.333 40.625 42.059 -0.169 0.000 0.896 590 L HN 0.482 nan 8.230 nan 0.000 0.433 591 S N -1.690 113.923 115.700 -0.145 0.000 2.402 591 S HA -0.146 4.322 4.470 -0.004 0.000 0.229 591 S C 2.213 176.734 174.600 -0.130 0.000 1.021 591 S CA 1.515 59.629 58.200 -0.144 0.000 0.974 591 S CB -0.010 63.145 63.200 -0.075 0.000 0.800 591 S HN 0.490 nan 8.310 nan 0.000 0.484 592 S N 0.480 116.130 115.700 -0.083 0.000 2.357 592 S HA -0.015 4.452 4.470 -0.004 0.000 0.221 592 S C 1.903 176.457 174.600 -0.076 0.000 1.031 592 S CA 1.189 59.358 58.200 -0.052 0.000 0.982 592 S CB -0.373 62.825 63.200 -0.005 0.000 0.853 592 S HN 0.409 nan 8.310 nan 0.000 0.458 593 V N 2.202 122.057 119.914 -0.098 0.000 2.287 593 V HA -0.227 3.891 4.120 -0.004 0.000 0.248 593 V C 2.625 178.584 176.094 -0.225 0.000 1.053 593 V CA 1.845 64.082 62.300 -0.104 0.000 1.027 593 V CB -1.201 30.582 31.823 -0.066 0.000 0.646 593 V HN 0.531 nan 8.190 nan 0.000 0.447 594 A N -0.321 122.204 122.820 -0.491 0.000 1.873 594 A HA -0.208 4.109 4.320 -0.004 0.000 0.215 594 A C 2.383 179.807 177.584 -0.268 0.000 1.186 594 A CA 2.364 53.976 52.037 -0.709 0.000 0.616 594 A CB -1.062 17.304 19.000 -1.057 0.000 0.823 594 A HN 0.487 nan 8.150 nan 0.000 0.442 595 T N 0.216 114.663 114.554 -0.178 0.000 2.849 595 T HA -0.019 4.328 4.350 -0.004 0.000 0.270 595 T C 1.991 176.677 174.700 -0.023 0.000 1.066 595 T CA 1.517 63.573 62.100 -0.073 0.000 1.130 595 T CB -0.268 68.569 68.868 -0.052 0.000 0.864 595 T HN 0.586 nan 8.240 nan 0.000 0.481 596 A N 0.732 123.539 122.820 -0.021 0.000 1.943 596 A HA 0.307 4.625 4.320 -0.004 0.000 0.213 596 A C 1.953 179.577 177.584 0.067 0.000 1.181 596 A CA 0.437 52.495 52.037 0.034 0.000 0.653 596 A CB -0.303 18.719 19.000 0.036 0.000 0.833 596 A HN 0.461 nan 8.150 nan 0.000 0.451 597 L N 0.443 121.701 121.223 0.058 0.000 2.612 597 L HA 0.027 4.365 4.340 -0.004 0.000 0.230 597 L C -0.082 176.869 176.870 0.135 0.000 1.140 597 L CA -0.283 54.632 54.840 0.125 0.000 0.896 597 L CB -0.628 41.547 42.059 0.192 0.000 1.065 597 L HN 0.458 nan 8.230 nan 0.000 0.447 598 Q N 0.991 120.844 119.800 0.089 0.000 3.646 598 Q HA -0.275 4.063 4.340 -0.004 0.000 0.319 598 Q C 1.241 177.306 176.000 0.109 0.000 1.351 598 Q CA 0.802 56.657 55.803 0.087 0.000 0.985 598 Q CB -0.498 28.276 28.738 0.060 0.000 1.010 598 Q HN 0.612 nan 8.270 nan 0.000 0.470 599 S N -0.358 115.429 115.700 0.145 0.000 2.261 599 S HA -0.242 4.226 4.470 -0.004 0.000 0.247 599 S C 1.233 175.907 174.600 0.123 0.000 1.195 599 S CA 1.010 59.282 58.200 0.120 0.000 1.464 599 S CB -1.905 61.339 63.200 0.073 0.000 1.835 599 S HN 0.941 nan 8.310 nan 0.000 0.598 600 G N 0.078 108.969 108.800 0.152 0.000 2.511 600 G HA2 0.226 4.184 3.960 -0.004 0.000 0.217 600 G HA3 0.226 4.184 3.960 -0.004 0.000 0.217 600 G C 0.735 175.777 174.900 0.238 0.000 1.133 600 G CA 0.772 45.969 45.100 0.161 0.000 0.792 600 G HN 0.734 nan 8.290 nan 0.000 0.539 601 F N 0.752 120.766 119.950 0.107 0.000 2.802 601 F HA 0.258 4.783 4.527 -0.004 0.000 0.300 601 F C 1.985 177.873 175.800 0.146 0.000 1.168 601 F CA -0.374 57.710 58.000 0.140 0.000 1.433 601 F CB 0.151 39.192 39.000 0.069 0.000 1.115 601 F HN 0.060 nan 8.300 nan 0.000 0.582 602 L N 2.056 123.314 121.223 0.059 0.000 1.970 602 L HA -0.088 4.250 4.340 -0.004 0.000 0.212 602 L C -0.735 176.008 176.870 -0.212 0.000 1.071 602 L CA 2.212 57.021 54.840 -0.052 0.000 0.751 602 L CB -1.976 40.072 42.059 -0.018 0.000 0.889 602 L HN -0.062 nan 8.230 nan 0.000 0.432 603 P HA -0.137 nan 4.420 nan 0.000 0.234 603 P C 0.006 176.846 177.300 -0.767 0.000 1.162 603 P CA 1.488 64.262 63.100 -0.544 0.000 0.759 603 P CB -0.177 31.101 31.700 -0.703 0.000 0.813 604 Y N -3.265 116.770 120.300 -0.441 0.000 2.563 604 Y HA 0.105 4.653 4.550 -0.004 0.000 0.250 604 Y C 2.179 177.722 175.900 -0.596 0.000 1.126 604 Y CA -0.378 57.406 58.100 -0.527 0.000 1.231 604 Y CB -0.806 37.262 38.460 -0.653 0.000 1.288 604 Y HN 0.089 nan 8.280 nan 0.000 0.537 605 C N -1.072 117.979 119.300 -0.415 0.000 2.464 605 C HA -0.021 4.436 4.460 -0.004 0.000 0.278 605 C C 2.262 177.242 174.990 -0.018 0.000 1.375 605 C CA 0.588 59.507 59.018 -0.164 0.000 1.761 605 C CB -0.745 27.011 27.740 0.026 0.000 1.944 605 C HN 0.583 nan 8.230 nan 0.000 0.509 606 E N 2.658 122.826 120.200 -0.054 0.000 2.068 606 E HA -0.235 4.113 4.350 -0.004 0.000 0.207 606 E C -0.581 176.082 176.600 0.104 0.000 1.032 606 E CA 2.709 59.115 56.400 0.010 0.000 0.839 606 E CB -0.633 29.049 29.700 -0.030 0.000 0.758 606 E HN 0.545 nan 8.360 nan 0.000 0.457 607 P HA -0.046 nan 4.420 nan 0.000 0.227 607 P C 1.198 178.676 177.300 0.297 0.000 1.161 607 P CA 0.655 63.877 63.100 0.204 0.000 0.788 607 P CB 0.192 32.023 31.700 0.218 0.000 0.822 608 V N -1.201 118.725 119.914 0.020 0.000 2.453 608 V HA -0.231 3.887 4.120 -0.004 0.000 0.247 608 V C 2.312 178.503 176.094 0.161 0.000 1.048 608 V CA 1.514 63.697 62.300 -0.195 0.000 1.049 608 V CB -1.278 30.335 31.823 -0.350 0.000 0.672 608 V HN 0.038 nan 8.190 nan 0.000 0.457 609 Y N 0.956 121.301 120.300 0.076 0.000 2.133 609 Y HA -0.223 4.324 4.550 -0.004 0.000 0.287 609 Y C 2.733 178.707 175.900 0.123 0.000 1.134 609 Y CA 1.950 60.107 58.100 0.095 0.000 1.133 609 Y CB -0.201 38.300 38.460 0.069 0.000 0.987 609 Y HN 0.201 nan 8.280 nan 0.000 0.502 610 Q N -0.181 119.793 119.800 0.290 0.000 2.124 610 Q HA -0.240 4.098 4.340 -0.004 0.000 0.202 610 Q C 2.364 178.427 176.000 0.105 0.000 0.977 610 Q CA 1.715 57.629 55.803 0.184 0.000 0.850 610 Q CB -0.207 28.655 28.738 0.206 0.000 0.901 610 Q HN 0.439 nan 8.270 nan 0.000 0.429 611 R N -0.420 120.200 120.500 0.199 0.000 2.153 611 R HA -0.039 4.299 4.340 -0.004 0.000 0.218 611 R C 2.053 178.420 176.300 0.113 0.000 1.072 611 R CA 0.672 56.869 56.100 0.161 0.000 0.990 611 R CB -0.101 30.340 30.300 0.235 0.000 0.889 611 R HN 0.232 nan 8.270 nan 0.000 0.452 612 C N -0.427 118.950 119.300 0.128 0.000 2.450 612 C HA 0.020 4.478 4.460 -0.004 0.000 0.279 612 C C 2.455 177.403 174.990 -0.071 0.000 1.335 612 C CA 0.374 59.418 59.018 0.043 0.000 1.749 612 C CB -0.363 27.388 27.740 0.019 0.000 1.963 612 C HN 0.341 nan 8.230 nan 0.000 0.501 613 V N 1.699 121.517 119.914 -0.160 0.000 2.283 613 V HA -0.154 3.964 4.120 -0.004 0.000 0.243 613 V C 2.116 178.169 176.094 -0.069 0.000 1.039 613 V CA 2.010 64.215 62.300 -0.158 0.000 1.016 613 V CB -0.719 30.968 31.823 -0.227 0.000 0.650 613 V HN 0.482 nan 8.190 nan 0.000 0.449 614 N N 0.203 118.877 118.700 -0.044 0.000 2.192 614 N HA -0.165 4.573 4.740 -0.004 0.000 0.188 614 N C 1.655 177.142 175.510 -0.039 0.000 1.013 614 N CA 1.239 54.270 53.050 -0.030 0.000 0.863 614 N CB -0.519 37.956 38.487 -0.020 0.000 0.990 614 N HN 0.372 nan 8.380 nan 0.000 0.430 615 L N 0.068 121.268 121.223 -0.039 0.000 2.017 615 L HA -0.124 4.214 4.340 -0.004 0.000 0.208 615 L C 2.056 178.914 176.870 -0.019 0.000 1.073 615 L CA 0.819 55.633 54.840 -0.042 0.000 0.745 615 L CB -0.202 41.841 42.059 -0.027 0.000 0.894 615 L HN -0.030 nan 8.230 nan 0.000 0.432 616 V N -0.805 119.100 119.914 -0.016 0.000 2.343 616 V HA -0.343 3.775 4.120 -0.004 0.000 0.247 616 V C 2.352 178.440 176.094 -0.009 0.000 1.051 616 V CA 1.931 64.226 62.300 -0.008 0.000 1.036 616 V CB -0.532 31.280 31.823 -0.019 0.000 0.654 616 V HN 0.524 nan 8.190 nan 0.000 0.451 617 Q N 0.225 120.015 119.800 -0.017 0.000 1.993 617 Q HA -0.242 4.096 4.340 -0.004 0.000 0.202 617 Q C 2.352 178.342 176.000 -0.017 0.000 0.984 617 Q CA 1.982 57.776 55.803 -0.015 0.000 0.837 617 Q CB -0.111 28.617 28.738 -0.017 0.000 0.902 617 Q HN 0.573 nan 8.270 nan 0.000 0.423 618 K N -0.668 119.718 120.400 -0.024 0.000 2.063 618 K HA -0.145 4.173 4.320 -0.004 0.000 0.208 618 K C 2.139 178.729 176.600 -0.017 0.000 1.048 618 K CA 1.882 58.152 56.287 -0.027 0.000 0.928 618 K CB -0.187 32.287 32.500 -0.044 0.000 0.713 618 K HN 0.298 nan 8.250 nan 0.000 0.442 619 T N 1.838 116.389 114.554 -0.005 0.000 2.746 619 T HA -0.096 4.251 4.350 -0.004 0.000 0.267 619 T C 1.905 176.612 174.700 0.011 0.000 1.039 619 T CA 0.977 63.089 62.100 0.019 0.000 1.142 619 T CB -0.186 68.713 68.868 0.051 0.000 0.866 619 T HN 0.094 nan 8.240 nan 0.000 0.444 620 L N 0.703 121.927 121.223 0.002 0.000 2.046 620 L HA -0.091 4.247 4.340 -0.004 0.000 0.208 620 L C 3.060 179.919 176.870 -0.018 0.000 1.077 620 L CA 1.217 56.054 54.840 -0.005 0.000 0.747 620 L CB -0.665 41.392 42.059 -0.004 0.000 0.896 620 L HN 0.262 nan 8.230 nan 0.000 0.432 621 A N -0.462 122.343 122.820 -0.024 0.000 1.883 621 A HA -0.276 4.042 4.320 -0.004 0.000 0.217 621 A C 2.185 179.731 177.584 -0.063 0.000 1.186 621 A CA 1.736 53.747 52.037 -0.043 0.000 0.624 621 A CB -0.551 18.425 19.000 -0.040 0.000 0.822 621 A HN 0.480 nan 8.150 nan 0.000 0.444 622 Q N -0.838 118.937 119.800 -0.041 0.000 2.224 622 Q HA -0.024 4.314 4.340 -0.004 0.000 0.203 622 Q C 2.256 178.238 176.000 -0.032 0.000 0.970 622 Q CA 1.121 56.902 55.803 -0.036 0.000 0.865 622 Q CB -0.328 28.414 28.738 0.007 0.000 0.922 622 Q HN 0.700 nan 8.270 nan 0.000 0.445 623 A N 0.213 123.022 122.820 -0.018 0.000 2.014 623 A HA -0.107 4.211 4.320 -0.004 0.000 0.218 623 A C 1.925 179.491 177.584 -0.030 0.000 1.163 623 A CA 0.876 52.908 52.037 -0.008 0.000 0.652 623 A CB -0.244 18.757 19.000 0.003 0.000 0.808 623 A HN 0.262 nan 8.150 nan 0.000 0.449 624 M N -0.674 118.894 119.600 -0.054 0.000 2.098 624 M HA -0.026 4.452 4.480 -0.004 0.000 0.262 624 M C 2.053 178.283 176.300 -0.118 0.000 1.072 624 M CA 1.303 56.562 55.300 -0.069 0.000 1.133 624 M CB -0.494 32.065 32.600 -0.070 0.000 1.344 624 M HN 0.353 nan 8.290 nan 0.000 0.414 625 L N 0.148 121.243 121.223 -0.213 0.000 2.013 625 L HA -0.291 4.046 4.340 -0.004 0.000 0.212 625 L C 2.212 178.940 176.870 -0.236 0.000 1.073 625 L CA 1.573 56.153 54.840 -0.432 0.000 0.753 625 L CB -0.921 40.651 42.059 -0.812 0.000 0.890 625 L HN 0.408 nan 8.230 nan 0.000 0.432 626 N N 0.025 118.676 118.700 -0.082 0.000 2.223 626 N HA -0.232 4.506 4.740 -0.004 0.000 0.185 626 N C 1.678 177.206 175.510 0.030 0.000 1.016 626 N CA 1.288 54.361 53.050 0.038 0.000 0.863 626 N CB -0.158 38.360 38.487 0.052 0.000 0.983 626 N HN 0.269 nan 8.380 nan 0.000 0.429 627 N N -0.370 118.329 118.700 -0.002 0.000 2.216 627 N HA -0.094 4.644 4.740 -0.004 0.000 0.183 627 N C 1.490 177.005 175.510 0.009 0.000 1.017 627 N CA 1.066 54.119 53.050 0.006 0.000 0.861 627 N CB -0.052 38.433 38.487 -0.003 0.000 0.986 627 N HN 0.333 nan 8.380 nan 0.000 0.428 628 A N 0.628 123.443 122.820 -0.009 0.000 1.841 628 A HA -0.052 4.266 4.320 -0.004 0.000 0.214 628 A C 0.960 178.570 177.584 0.044 0.000 1.195 628 A CA 1.100 53.138 52.037 0.002 0.000 0.611 628 A CB -0.171 18.809 19.000 -0.033 0.000 0.835 628 A HN 0.450 nan 8.150 nan 0.000 0.443 629 Q N -0.831 119.021 119.800 0.087 0.000 2.798 629 Q HA 0.242 4.580 4.340 -0.004 0.000 0.250 629 Q C -2.241 173.854 176.000 0.158 0.000 1.006 629 Q CA -1.920 53.972 55.803 0.149 0.000 0.759 629 Q CB 1.590 30.485 28.738 0.261 0.000 1.201 629 Q HN 0.282 nan 8.270 nan 0.000 0.486 630 P HA -0.182 nan 4.420 nan 0.000 0.218 630 P C 0.352 177.699 177.300 0.079 0.000 1.148 630 P CA 1.285 64.434 63.100 0.082 0.000 0.822 630 P CB 0.437 32.171 31.700 0.055 0.000 0.784 631 D N -1.594 118.845 120.400 0.065 0.000 2.216 631 D HA -0.064 4.574 4.640 -0.004 0.000 0.208 631 D C 1.955 178.267 176.300 0.020 0.000 0.960 631 D CA 0.785 54.808 54.000 0.040 0.000 0.861 631 D CB -0.512 40.304 40.800 0.028 0.000 0.985 631 D HN 0.132 nan 8.370 nan 0.000 0.493 632 Q N -0.713 119.102 119.800 0.024 0.000 2.389 632 Q HA -0.014 4.323 4.340 -0.004 0.000 0.204 632 Q C -0.289 175.572 176.000 -0.232 0.000 0.944 632 Q CA 0.516 56.269 55.803 -0.082 0.000 0.908 632 Q CB 0.445 29.148 28.738 -0.057 0.000 1.002 632 Q HN 0.316 nan 8.270 nan 0.000 0.493 633 Y N -0.443 119.864 120.300 0.012 0.000 2.605 633 Y HA 0.306 4.854 4.550 -0.004 0.000 0.343 633 Y C -0.393 175.516 175.900 0.015 0.000 1.036 633 Y CA -1.034 57.073 58.100 0.012 0.000 1.065 633 Y CB 1.624 40.091 38.460 0.011 0.000 1.288 633 Y HN -0.174 nan 8.280 nan 0.000 0.481 634 E N 0.850 121.180 120.200 0.218 0.000 2.191 634 E HA 0.636 4.983 4.350 -0.004 0.000 0.274 634 E C -1.043 175.623 176.600 0.110 0.000 0.948 634 E CA -1.074 55.400 56.400 0.124 0.000 0.802 634 E CB 1.663 31.418 29.700 0.092 0.000 1.137 634 E HN 0.638 nan 8.360 nan 0.000 0.397 635 A N 4.134 127.004 122.820 0.083 0.000 2.450 635 A HA 0.309 4.626 4.320 -0.004 0.000 0.255 635 A C -1.953 175.677 177.584 0.077 0.000 1.096 635 A CA -0.958 51.121 52.037 0.069 0.000 0.778 635 A CB -0.363 18.671 19.000 0.058 0.000 1.031 635 A HN 0.365 nan 8.150 nan 0.000 0.494 636 P HA 0.305 nan 4.420 nan 0.000 0.281 636 P C -1.049 176.328 177.300 0.127 0.000 1.264 636 P CA -0.498 62.663 63.100 0.102 0.000 0.824 636 P CB 0.726 32.477 31.700 0.086 0.000 1.092 637 D N 0.331 120.853 120.400 0.203 0.000 2.393 637 D HA 0.075 4.713 4.640 -0.004 0.000 0.232 637 D C 1.020 177.448 176.300 0.215 0.000 1.192 637 D CA -0.055 54.066 54.000 0.203 0.000 0.882 637 D CB 0.345 41.291 40.800 0.243 0.000 1.038 637 D HN 0.138 nan 8.370 nan 0.000 0.499 638 K N 1.968 122.441 120.400 0.122 0.000 2.280 638 K HA -0.125 4.193 4.320 -0.004 0.000 0.202 638 K C 0.800 177.457 176.600 0.096 0.000 1.047 638 K CA 0.744 57.091 56.287 0.100 0.000 0.942 638 K CB 0.254 32.787 32.500 0.055 0.000 0.739 638 K HN 0.417 nan 8.250 nan 0.000 0.457 639 D N 0.312 120.754 120.400 0.071 0.000 2.221 639 D HA -0.147 4.491 4.640 -0.004 0.000 0.204 639 D C 1.374 177.694 176.300 0.033 0.000 0.982 639 D CA 1.020 55.057 54.000 0.062 0.000 0.857 639 D CB -0.160 40.679 40.800 0.064 0.000 0.934 639 D HN 0.175 nan 8.370 nan 0.000 0.475 640 F N -0.032 119.998 119.950 0.133 0.000 2.186 640 F HA -0.084 4.441 4.527 -0.004 0.000 0.299 640 F C 2.493 178.265 175.800 -0.047 0.000 1.090 640 F CA 0.572 58.572 58.000 0.002 0.000 1.307 640 F CB -0.148 38.875 39.000 0.038 0.000 1.019 640 F HN -0.082 nan 8.300 nan 0.000 0.489 641 M N 0.160 119.861 119.600 0.169 0.000 2.077 641 M HA -0.196 4.281 4.480 -0.004 0.000 0.261 641 M C 2.185 178.504 176.300 0.032 0.000 1.070 641 M CA 1.902 57.248 55.300 0.077 0.000 1.125 641 M CB -0.328 32.307 32.600 0.058 0.000 1.339 641 M HN 0.103 nan 8.290 nan 0.000 0.409 642 I N -0.456 120.129 120.570 0.026 0.000 2.151 642 I HA -0.329 3.839 4.170 -0.004 0.000 0.243 642 I C 2.123 178.232 176.117 -0.013 0.000 1.080 642 I CA 1.318 62.623 61.300 0.008 0.000 1.339 642 I CB -0.462 37.551 38.000 0.021 0.000 1.039 642 I HN 0.165 nan 8.210 nan 0.000 0.409 643 V N 0.597 120.478 119.914 -0.055 0.000 2.548 643 V HA -0.178 3.940 4.120 -0.004 0.000 0.249 643 V C 2.585 178.639 176.094 -0.068 0.000 1.055 643 V CA 1.616 63.846 62.300 -0.117 0.000 1.065 643 V CB -0.808 30.793 31.823 -0.369 0.000 0.681 643 V HN 0.481 nan 8.190 nan 0.000 0.462 644 A N -0.031 122.773 122.820 -0.027 0.000 1.930 644 A HA -0.105 4.212 4.320 -0.004 0.000 0.217 644 A C 2.202 179.783 177.584 -0.004 0.000 1.175 644 A CA 1.539 53.580 52.037 0.006 0.000 0.627 644 A CB -0.406 18.607 19.000 0.022 0.000 0.815 644 A HN 0.488 nan 8.150 nan 0.000 0.443 645 L N -0.598 120.621 121.223 -0.007 0.000 2.005 645 L HA -0.166 4.172 4.340 -0.004 0.000 0.207 645 L C 2.116 178.990 176.870 0.007 0.000 1.072 645 L CA 1.436 56.274 54.840 -0.003 0.000 0.744 645 L CB -0.731 41.325 42.059 -0.006 0.000 0.895 645 L HN 0.259 nan 8.230 nan 0.000 0.433 646 D N 0.098 120.499 120.400 0.001 0.000 2.149 646 D HA -0.193 4.445 4.640 -0.004 0.000 0.198 646 D C 2.001 178.299 176.300 -0.003 0.000 0.990 646 D CA 1.085 55.086 54.000 0.002 0.000 0.839 646 D CB -0.142 40.654 40.800 -0.006 0.000 0.948 646 D HN 0.129 nan 8.370 nan 0.000 0.460 647 L N 0.377 121.595 121.223 -0.010 0.000 2.056 647 L HA -0.051 4.287 4.340 -0.004 0.000 0.207 647 L C 2.051 178.927 176.870 0.010 0.000 1.078 647 L CA 1.347 56.178 54.840 -0.015 0.000 0.749 647 L CB -0.703 41.347 42.059 -0.014 0.000 0.901 647 L HN 0.010 nan 8.230 nan 0.000 0.433 648 L N -0.357 120.881 121.223 0.026 0.000 2.042 648 L HA -0.209 4.129 4.340 -0.004 0.000 0.210 648 L C 2.542 179.467 176.870 0.091 0.000 1.076 648 L CA 1.629 56.508 54.840 0.065 0.000 0.749 648 L CB -0.706 41.366 42.059 0.020 0.000 0.893 648 L HN 0.503 nan 8.230 nan 0.000 0.432 649 S N -0.924 114.817 115.700 0.069 0.000 2.515 649 S HA -0.031 4.437 4.470 -0.004 0.000 0.231 649 S C 1.904 176.543 174.600 0.065 0.000 0.987 649 S CA 0.582 58.833 58.200 0.085 0.000 0.936 649 S CB -0.420 62.835 63.200 0.092 0.000 0.766 649 S HN 0.446 nan 8.310 nan 0.000 0.528 650 G N 1.394 110.213 108.800 0.032 0.000 2.430 650 G HA2 0.059 4.016 3.960 -0.004 0.000 0.216 650 G HA3 0.059 4.016 3.960 -0.004 0.000 0.216 650 G C 1.235 176.137 174.900 0.003 0.000 1.146 650 G CA 0.322 45.421 45.100 -0.000 0.000 0.793 650 G HN 0.436 nan 8.290 nan 0.000 0.537 651 L N 1.010 122.254 121.223 0.035 0.000 2.240 651 L HA 0.321 4.659 4.340 -0.004 0.000 0.211 651 L C 3.004 179.940 176.870 0.110 0.000 1.106 651 L CA 1.431 56.319 54.840 0.080 0.000 0.793 651 L CB -0.291 41.863 42.059 0.159 0.000 0.927 651 L HN 0.228 nan 8.230 nan 0.000 0.446 652 A N -1.083 121.806 122.820 0.115 0.000 1.968 652 A HA -0.205 4.113 4.320 -0.004 0.000 0.217 652 A C 2.278 179.921 177.584 0.098 0.000 1.169 652 A CA 1.578 53.685 52.037 0.117 0.000 0.638 652 A CB -0.388 18.691 19.000 0.131 0.000 0.812 652 A HN 0.499 nan 8.150 nan 0.000 0.446 653 E N -0.531 119.720 120.200 0.086 0.000 2.112 653 E HA 0.014 4.361 4.350 -0.004 0.000 0.190 653 E C 1.982 178.618 176.600 0.060 0.000 0.979 653 E CA 0.890 57.335 56.400 0.075 0.000 0.814 653 E CB -0.418 29.322 29.700 0.067 0.000 0.762 653 E HN 0.422 nan 8.360 nan 0.000 0.460 654 G N 0.638 109.468 108.800 0.051 0.000 2.408 654 G HA2 -0.174 3.783 3.960 -0.004 0.000 0.217 654 G HA3 -0.174 3.783 3.960 -0.004 0.000 0.217 654 G C 1.435 176.382 174.900 0.078 0.000 1.150 654 G CA 0.853 45.985 45.100 0.052 0.000 0.776 654 G HN 0.231 nan 8.290 nan 0.000 0.542 655 L N 0.116 121.393 121.223 0.089 0.000 2.425 655 L HA 0.320 4.658 4.340 -0.004 0.000 0.215 655 L C 1.711 178.619 176.870 0.063 0.000 1.065 655 L CA 0.149 55.041 54.840 0.085 0.000 0.842 655 L CB -0.598 41.519 42.059 0.096 0.000 1.033 655 L HN 0.209 nan 8.230 nan 0.000 0.474 656 G N 0.738 109.578 108.800 0.067 0.000 2.557 656 G HA2 -0.006 3.952 3.960 -0.004 0.000 0.299 656 G HA3 -0.006 3.952 3.960 -0.004 0.000 0.299 656 G C 1.073 176.002 174.900 0.048 0.000 0.146 656 G CA 0.658 45.795 45.100 0.061 0.000 1.150 656 G HN 0.699 nan 8.290 nan 0.000 0.532 657 G N 2.088 110.917 108.800 0.048 0.000 2.397 657 G HA2 -0.317 3.640 3.960 -0.004 0.000 0.211 657 G HA3 -0.317 3.640 3.960 -0.004 0.000 0.211 657 G C 1.236 176.154 174.900 0.030 0.000 1.077 657 G CA 0.728 45.849 45.100 0.035 0.000 0.649 657 G HN 0.813 nan 8.290 nan 0.000 0.511 658 N N 0.545 119.261 118.700 0.027 0.000 2.459 658 N HA 0.130 4.868 4.740 -0.004 0.000 0.181 658 N C 2.022 177.529 175.510 -0.004 0.000 1.046 658 N CA 1.073 54.130 53.050 0.012 0.000 0.904 658 N CB 0.168 38.663 38.487 0.013 0.000 0.964 658 N HN 0.625 nan 8.380 nan 0.000 0.444 659 I N 1.670 122.244 120.570 0.007 0.000 2.761 659 I HA -0.221 3.947 4.170 -0.004 0.000 0.261 659 I C 1.986 178.080 176.117 -0.039 0.000 1.198 659 I CA 0.709 61.987 61.300 -0.037 0.000 1.482 659 I CB 0.097 38.105 38.000 0.014 0.000 1.100 659 I HN 0.061 nan 8.210 nan 0.000 0.445 660 E N 0.711 120.942 120.200 0.052 0.000 2.065 660 E HA -0.383 3.965 4.350 -0.004 0.000 0.201 660 E C 2.026 178.684 176.600 0.097 0.000 1.016 660 E CA 2.089 58.597 56.400 0.181 0.000 0.818 660 E CB -0.804 29.020 29.700 0.207 0.000 0.749 660 E HN 0.584 nan 8.360 nan 0.000 0.453 661 Q N 0.122 119.935 119.800 0.021 0.000 2.135 661 Q HA -0.138 4.200 4.340 -0.004 0.000 0.204 661 Q C 2.290 178.215 176.000 -0.126 0.000 0.981 661 Q CA 1.714 57.492 55.803 -0.041 0.000 0.856 661 Q CB -0.081 28.635 28.738 -0.037 0.000 0.902 661 Q HN 0.493 nan 8.270 nan 0.000 0.425 662 L N -0.475 120.620 121.223 -0.212 0.000 2.156 662 L HA -0.119 4.219 4.340 -0.004 0.000 0.208 662 L C 2.304 179.002 176.870 -0.287 0.000 1.095 662 L CA 0.372 54.983 54.840 -0.381 0.000 0.770 662 L CB -0.195 41.371 42.059 -0.822 0.000 0.914 662 L HN 0.090 nan 8.230 nan 0.000 0.439 663 V N 0.113 119.921 119.914 -0.176 0.000 2.358 663 V HA -0.223 3.895 4.120 -0.004 0.000 0.246 663 V C 2.764 178.804 176.094 -0.090 0.000 1.047 663 V CA 1.716 64.029 62.300 0.023 0.000 1.035 663 V CB -0.857 31.028 31.823 0.103 0.000 0.658 663 V HN 0.446 nan 8.190 nan 0.000 0.452 664 A N 0.274 122.896 122.820 -0.331 0.000 1.902 664 A HA -0.175 4.143 4.320 -0.004 0.000 0.217 664 A C 2.217 179.694 177.584 -0.179 0.000 1.181 664 A CA 1.441 53.201 52.037 -0.462 0.000 0.623 664 A CB -0.435 18.160 19.000 -0.675 0.000 0.818 664 A HN 0.516 nan 8.150 nan 0.000 0.443 665 R N 0.270 120.706 120.500 -0.107 0.000 2.346 665 R HA 0.105 4.443 4.340 -0.004 0.000 0.225 665 R C 0.070 176.385 176.300 0.026 0.000 0.987 665 R CA 0.499 56.577 56.100 -0.037 0.000 1.106 665 R CB -0.180 30.102 30.300 -0.030 0.000 1.090 665 R HN 0.641 nan 8.270 nan 0.000 0.502 666 S N -0.147 115.585 115.700 0.054 0.000 2.709 666 S HA 0.241 4.709 4.470 -0.004 0.000 0.302 666 S C 0.002 174.639 174.600 0.061 0.000 1.127 666 S CA -1.126 57.136 58.200 0.104 0.000 0.905 666 S CB 1.348 64.693 63.200 0.242 0.000 1.151 666 S HN 0.205 nan 8.310 nan 0.000 0.510 667 N N 0.171 118.901 118.700 0.051 0.000 2.376 667 N HA 0.194 4.931 4.740 -0.004 0.000 0.249 667 N C 0.701 176.241 175.510 0.049 0.000 1.140 667 N CA -0.447 52.625 53.050 0.037 0.000 0.870 667 N CB -0.356 38.142 38.487 0.018 0.000 1.124 667 N HN 0.694 nan 8.380 nan 0.000 0.505 668 I N 0.088 120.700 120.570 0.070 0.000 2.179 668 I HA -0.214 3.954 4.170 -0.004 0.000 0.242 668 I C 1.516 177.699 176.117 0.110 0.000 1.088 668 I CA 1.229 62.570 61.300 0.069 0.000 1.357 668 I CB 0.197 38.251 38.000 0.091 0.000 1.051 668 I HN 0.145 nan 8.210 nan 0.000 0.409 669 L N 0.093 121.405 121.223 0.148 0.000 2.083 669 L HA -0.208 4.130 4.340 -0.004 0.000 0.209 669 L C 2.493 179.511 176.870 0.247 0.000 1.083 669 L CA 1.791 56.783 54.840 0.253 0.000 0.752 669 L CB -0.933 41.289 42.059 0.270 0.000 0.899 669 L HN 0.255 nan 8.230 nan 0.000 0.433 670 T N 0.175 114.801 114.554 0.121 0.000 2.708 670 T HA -0.178 4.170 4.350 -0.004 0.000 0.266 670 T C 1.950 176.713 174.700 0.104 0.000 1.037 670 T CA 1.316 63.453 62.100 0.062 0.000 1.146 670 T CB -0.320 68.552 68.868 0.007 0.000 0.865 670 T HN 0.173 nan 8.240 nan 0.000 0.435 671 L N 0.196 121.471 121.223 0.087 0.000 2.046 671 L HA -0.059 4.279 4.340 -0.004 0.000 0.208 671 L C 2.770 179.698 176.870 0.096 0.000 1.077 671 L CA 1.241 56.123 54.840 0.071 0.000 0.747 671 L CB -0.582 41.498 42.059 0.035 0.000 0.896 671 L HN 0.266 nan 8.230 nan 0.000 0.432 672 M N -1.666 118.013 119.600 0.132 0.000 2.106 672 M HA -0.302 4.176 4.480 -0.004 0.000 0.259 672 M C 2.377 178.780 176.300 0.171 0.000 1.068 672 M CA 2.013 57.393 55.300 0.132 0.000 1.100 672 M CB -0.578 32.130 32.600 0.181 0.000 1.351 672 M HN 0.197 nan 8.290 nan 0.000 0.404 673 Y N 1.171 121.567 120.300 0.160 0.000 2.128 673 Y HA -0.321 4.227 4.550 -0.004 0.000 0.284 673 Y C 2.486 178.392 175.900 0.009 0.000 1.154 673 Y CA 1.951 60.106 58.100 0.090 0.000 1.149 673 Y CB -0.178 38.246 38.460 -0.060 0.000 0.976 673 Y HN 0.255 nan 8.280 nan 0.000 0.505 674 Q N -1.199 118.728 119.800 0.212 0.000 2.084 674 Q HA -0.251 4.087 4.340 -0.004 0.000 0.202 674 Q C 2.400 178.392 176.000 -0.013 0.000 0.978 674 Q CA 1.796 57.662 55.803 0.106 0.000 0.844 674 Q CB -0.484 28.301 28.738 0.078 0.000 0.898 674 Q HN 0.532 nan 8.270 nan 0.000 0.426 675 C N 0.269 119.544 119.300 -0.042 0.000 2.422 675 C HA -0.100 4.358 4.460 -0.004 0.000 0.279 675 C C 2.461 177.322 174.990 -0.215 0.000 1.305 675 C CA 0.614 59.569 59.018 -0.106 0.000 1.757 675 C CB -0.761 26.920 27.740 -0.099 0.000 1.962 675 C HN 0.522 nan 8.230 nan 0.000 0.499 676 M N 0.058 119.478 119.600 -0.300 0.000 2.476 676 M HA -0.118 4.360 4.480 -0.004 0.000 0.262 676 M C 2.107 178.244 176.300 -0.272 0.000 1.079 676 M CA 1.274 56.294 55.300 -0.466 0.000 1.104 676 M CB -0.378 31.895 32.600 -0.545 0.000 1.409 676 M HN 0.488 nan 8.290 nan 0.000 0.467 677 Q N -0.207 119.478 119.800 -0.191 0.000 2.354 677 Q HA 0.006 4.344 4.340 -0.004 0.000 0.203 677 Q C 0.503 176.455 176.000 -0.080 0.000 0.933 677 Q CA -0.011 55.729 55.803 -0.106 0.000 0.901 677 Q CB 0.202 28.919 28.738 -0.035 0.000 1.007 677 Q HN 0.373 nan 8.270 nan 0.000 0.495 678 D N 1.304 121.649 120.400 -0.092 0.000 2.515 678 D HA -0.116 4.522 4.640 -0.004 0.000 0.232 678 D C 0.453 176.703 176.300 -0.083 0.000 1.157 678 D CA 0.689 54.645 54.000 -0.073 0.000 0.871 678 D CB 0.866 41.620 40.800 -0.077 0.000 1.200 678 D HN 0.083 nan 8.370 nan 0.000 0.466 679 K N 2.136 122.501 120.400 -0.058 0.000 2.288 679 K HA -0.027 4.291 4.320 -0.004 0.000 0.201 679 K C 1.096 177.646 176.600 -0.083 0.000 1.048 679 K CA 0.429 56.680 56.287 -0.060 0.000 0.956 679 K CB 0.128 32.615 32.500 -0.022 0.000 0.746 679 K HN 0.422 nan 8.250 nan 0.000 0.461 680 M N 2.289 121.847 119.600 -0.070 0.000 2.108 680 M HA 0.102 4.580 4.480 -0.004 0.000 0.347 680 M C -2.131 174.112 176.300 -0.095 0.000 1.326 680 M CA -2.479 52.786 55.300 -0.057 0.000 1.126 680 M CB 1.077 33.664 32.600 -0.021 0.000 1.606 680 M HN -0.173 nan 8.290 nan 0.000 0.462 681 P HA -0.209 nan 4.420 nan 0.000 0.216 681 P C 0.385 177.665 177.300 -0.034 0.000 1.154 681 P CA 1.564 64.584 63.100 -0.134 0.000 0.865 681 P CB 0.206 31.897 31.700 -0.014 0.000 0.789 682 E N -1.039 119.161 120.200 -0.001 0.000 2.160 682 E HA -0.117 4.231 4.350 -0.004 0.000 0.195 682 E C 1.913 178.508 176.600 -0.008 0.000 0.991 682 E CA 0.911 57.319 56.400 0.014 0.000 0.810 682 E CB -0.982 28.732 29.700 0.023 0.000 0.742 682 E HN 0.097 nan 8.360 nan 0.000 0.466 683 V N 0.424 120.317 119.914 -0.035 0.000 2.407 683 V HA -0.134 3.984 4.120 -0.004 0.000 0.245 683 V C 2.121 178.146 176.094 -0.115 0.000 1.041 683 V CA 1.407 63.673 62.300 -0.057 0.000 1.040 683 V CB -0.368 31.423 31.823 -0.054 0.000 0.671 683 V HN 0.168 nan 8.190 nan 0.000 0.455 684 R N 0.158 120.570 120.500 -0.147 0.000 2.083 684 R HA -0.233 4.104 4.340 -0.004 0.000 0.237 684 R C 2.433 178.609 176.300 -0.207 0.000 1.137 684 R CA 1.903 57.839 56.100 -0.273 0.000 0.951 684 R CB -0.494 29.699 30.300 -0.179 0.000 0.851 684 R HN 0.628 nan 8.270 nan 0.000 0.434 685 Q N 0.639 120.446 119.800 0.011 0.000 2.077 685 Q HA -0.174 4.164 4.340 -0.004 0.000 0.206 685 Q C 1.849 177.901 176.000 0.087 0.000 0.989 685 Q CA 2.135 58.014 55.803 0.127 0.000 0.853 685 Q CB -0.021 28.777 28.738 0.099 0.000 0.907 685 Q HN 0.185 nan 8.270 nan 0.000 0.418 686 S N 0.396 116.104 115.700 0.013 0.000 2.402 686 S HA -0.105 4.363 4.470 -0.004 0.000 0.229 686 S C 2.030 176.633 174.600 0.005 0.000 1.021 686 S CA 1.198 59.407 58.200 0.016 0.000 0.974 686 S CB -0.104 63.095 63.200 -0.002 0.000 0.800 686 S HN 0.637 nan 8.310 nan 0.000 0.484 687 S N 0.767 116.415 115.700 -0.086 0.000 2.395 687 S HA 0.101 4.569 4.470 -0.004 0.000 0.225 687 S C 1.598 176.158 174.600 -0.067 0.000 1.027 687 S CA 0.384 58.512 58.200 -0.121 0.000 0.965 687 S CB -0.819 62.244 63.200 -0.228 0.000 0.812 687 S HN 0.522 nan 8.310 nan 0.000 0.482 688 F N 2.502 122.470 119.950 0.030 0.000 2.134 688 F HA -0.040 4.485 4.527 -0.004 0.000 0.299 688 F C 2.989 178.869 175.800 0.134 0.000 1.097 688 F CA 0.627 58.653 58.000 0.043 0.000 1.264 688 F CB -0.464 38.572 39.000 0.060 0.000 1.001 688 F HN 0.303 nan 8.300 nan 0.000 0.479 689 A N 0.103 123.136 122.820 0.355 0.000 1.883 689 A HA -0.223 4.095 4.320 -0.004 0.000 0.217 689 A C 2.009 179.795 177.584 0.337 0.000 1.186 689 A CA 1.655 53.916 52.037 0.374 0.000 0.624 689 A CB -0.990 18.117 19.000 0.178 0.000 0.822 689 A HN 0.363 nan 8.150 nan 0.000 0.444 690 L N -0.887 120.443 121.223 0.179 0.000 2.141 690 L HA -0.050 4.288 4.340 -0.004 0.000 0.209 690 L C 2.146 179.066 176.870 0.083 0.000 1.094 690 L CA 1.736 56.649 54.840 0.121 0.000 0.763 690 L CB -0.627 41.470 42.059 0.064 0.000 0.908 690 L HN 0.346 nan 8.230 nan 0.000 0.437 691 L N -0.158 121.088 121.223 0.039 0.000 2.017 691 L HA 0.010 4.348 4.340 -0.004 0.000 0.208 691 L C 2.330 179.148 176.870 -0.087 0.000 1.073 691 L CA 2.105 56.889 54.840 -0.093 0.000 0.745 691 L CB -1.501 40.459 42.059 -0.166 0.000 0.894 691 L HN 0.284 nan 8.230 nan 0.000 0.432 692 G N -0.947 107.819 108.800 -0.057 0.000 2.459 692 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.217 692 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.217 692 G C 1.284 176.106 174.900 -0.130 0.000 1.183 692 G CA 0.907 45.766 45.100 -0.403 0.000 0.776 692 G HN 0.452 nan 8.290 nan 0.000 0.552 693 D N 0.324 120.839 120.400 0.192 0.000 2.178 693 D HA -0.045 4.593 4.640 -0.004 0.000 0.201 693 D C 2.594 178.961 176.300 0.113 0.000 0.980 693 D CA 0.438 54.564 54.000 0.209 0.000 0.842 693 D CB -0.137 40.799 40.800 0.226 0.000 0.948 693 D HN 0.302 nan 8.370 nan 0.000 0.472 694 L N 0.499 121.771 121.223 0.082 0.000 2.109 694 L HA -0.101 4.237 4.340 -0.004 0.000 0.207 694 L C 2.461 179.386 176.870 0.091 0.000 1.086 694 L CA 0.931 55.822 54.840 0.084 0.000 0.760 694 L CB -0.489 41.613 42.059 0.071 0.000 0.910 694 L HN -0.014 nan 8.230 nan 0.000 0.437 695 T N -0.171 114.420 114.554 0.062 0.000 2.699 695 T HA -0.251 4.097 4.350 -0.004 0.000 0.268 695 T C 1.889 176.639 174.700 0.084 0.000 1.036 695 T CA 1.560 63.749 62.100 0.149 0.000 1.147 695 T CB -0.092 68.773 68.868 -0.006 0.000 0.862 695 T HN 0.290 nan 8.240 nan 0.000 0.446 696 K N 0.697 121.104 120.400 0.011 0.000 2.076 696 K HA 0.198 4.515 4.320 -0.004 0.000 0.204 696 K C 2.681 179.312 176.600 0.051 0.000 1.051 696 K CA 0.960 57.252 56.287 0.010 0.000 0.949 696 K CB -0.202 32.315 32.500 0.029 0.000 0.726 696 K HN 0.255 nan 8.250 nan 0.000 0.443 697 A N 0.996 123.862 122.820 0.075 0.000 1.855 697 A HA -0.107 4.211 4.320 -0.004 0.000 0.215 697 A C 1.360 178.987 177.584 0.073 0.000 1.191 697 A CA 1.325 53.407 52.037 0.076 0.000 0.613 697 A CB -0.381 18.673 19.000 0.090 0.000 0.829 697 A HN 0.573 nan 8.150 nan 0.000 0.442 698 C N -4.024 115.330 119.300 0.091 0.000 3.452 698 C HA 0.638 5.096 4.460 -0.004 0.000 0.251 698 C C 0.668 175.690 174.990 0.054 0.000 1.160 698 C CA -0.955 58.093 59.018 0.051 0.000 1.328 698 C CB -1.443 26.346 27.740 0.080 0.000 1.819 698 C HN 0.403 nan 8.230 nan 0.000 0.543 699 F N 3.132 123.040 119.950 -0.070 0.000 2.407 699 F HA -0.101 4.424 4.527 -0.004 0.000 0.299 699 F C 2.679 178.435 175.800 -0.073 0.000 1.097 699 F CA 2.151 60.118 58.000 -0.055 0.000 1.422 699 F CB 0.242 39.213 39.000 -0.048 0.000 1.067 699 F HN 0.697 nan 8.300 nan 0.000 0.539 700 Q N -0.428 119.276 119.800 -0.160 0.000 2.197 700 Q HA -0.260 4.078 4.340 -0.004 0.000 0.207 700 Q C 1.200 177.027 176.000 -0.289 0.000 0.984 700 Q CA 2.002 57.645 55.803 -0.267 0.000 0.869 700 Q CB -1.207 27.349 28.738 -0.304 0.000 0.906 700 Q HN 0.482 nan 8.270 nan 0.000 0.426 701 H N -0.128 118.886 119.070 -0.093 0.000 2.562 701 H HA 0.189 4.743 4.556 -0.004 0.000 0.267 701 H C 2.141 177.406 175.328 -0.105 0.000 0.959 701 H CA 0.724 56.730 56.048 -0.070 0.000 1.204 701 H CB 0.444 30.200 29.762 -0.011 0.000 1.430 701 H HN 0.120 nan 8.280 nan 0.000 0.545 702 V N 0.747 120.572 119.914 -0.148 0.000 2.725 702 V HA -0.106 4.011 4.120 -0.004 0.000 0.247 702 V C 2.534 178.411 176.094 -0.362 0.000 1.058 702 V CA 1.040 63.224 62.300 -0.193 0.000 1.080 702 V CB -0.144 31.569 31.823 -0.183 0.000 0.713 702 V HN 0.200 nan 8.190 nan 0.000 0.465 703 K N 0.894 120.837 120.400 -0.761 0.000 2.020 703 K HA -0.204 4.114 4.320 -0.004 0.000 0.212 703 K C -0.315 176.164 176.600 -0.201 0.000 1.050 703 K CA 2.140 58.036 56.287 -0.651 0.000 0.929 703 K CB -1.140 31.009 32.500 -0.586 0.000 0.714 703 K HN 0.370 nan 8.250 nan 0.000 0.443 704 P HA -0.130 nan 4.420 nan 0.000 0.224 704 P C 0.367 177.661 177.300 -0.010 0.000 1.142 704 P CA 1.029 64.109 63.100 -0.033 0.000 0.778 704 P CB 0.026 31.718 31.700 -0.014 0.000 0.764 705 C N -2.716 116.597 119.300 0.022 0.000 3.070 705 C HA 0.279 4.737 4.460 -0.004 0.000 0.280 705 C C 2.372 177.430 174.990 0.112 0.000 1.264 705 C CA -0.372 58.675 59.018 0.047 0.000 1.690 705 C CB -1.241 26.614 27.740 0.192 0.000 2.049 705 C HN 0.205 nan 8.230 nan 0.000 0.636 706 I N 1.879 122.507 120.570 0.096 0.000 2.361 706 I HA -0.196 3.972 4.170 -0.004 0.000 0.251 706 I C 2.705 178.756 176.117 -0.109 0.000 1.133 706 I CA 1.447 62.771 61.300 0.040 0.000 1.413 706 I CB -0.187 37.761 38.000 -0.086 0.000 1.073 706 I HN 0.330 nan 8.210 nan 0.000 0.424 707 A N 0.336 123.137 122.820 -0.032 0.000 1.908 707 A HA -0.260 4.058 4.320 -0.004 0.000 0.218 707 A C 1.988 179.621 177.584 0.080 0.000 1.181 707 A CA 2.134 54.236 52.037 0.108 0.000 0.627 707 A CB -0.519 18.579 19.000 0.163 0.000 0.818 707 A HN 0.393 nan 8.150 nan 0.000 0.445 708 D N -1.464 118.937 120.400 0.001 0.000 2.162 708 D HA -0.017 4.620 4.640 -0.004 0.000 0.203 708 D C 1.650 177.991 176.300 0.068 0.000 0.967 708 D CA 0.894 54.876 54.000 -0.029 0.000 0.840 708 D CB -0.241 40.418 40.800 -0.236 0.000 0.972 708 D HN 0.559 nan 8.370 nan 0.000 0.482 709 F N 0.657 120.692 119.950 0.141 0.000 2.206 709 F HA -0.082 4.442 4.527 -0.004 0.000 0.298 709 F C 2.519 178.358 175.800 0.065 0.000 1.090 709 F CA 0.320 58.395 58.000 0.126 0.000 1.323 709 F CB -0.018 39.032 39.000 0.084 0.000 1.028 709 F HN -0.170 nan 8.300 nan 0.000 0.492 710 M N 0.486 120.190 119.600 0.174 0.000 2.080 710 M HA -0.123 4.355 4.480 -0.004 0.000 0.260 710 M C -0.489 175.883 176.300 0.119 0.000 1.068 710 M CA 1.745 57.097 55.300 0.087 0.000 1.109 710 M CB -2.486 30.106 32.600 -0.013 0.000 1.342 710 M HN -0.042 nan 8.290 nan 0.000 0.405 711 P HA -0.075 nan 4.420 nan 0.000 0.221 711 P C 1.926 179.292 177.300 0.110 0.000 1.150 711 P CA 1.175 64.350 63.100 0.126 0.000 0.800 711 P CB -0.057 31.723 31.700 0.133 0.000 0.787 712 I N -0.727 119.917 120.570 0.124 0.000 2.286 712 I HA -0.165 4.003 4.170 -0.004 0.000 0.245 712 I C 2.447 178.648 176.117 0.139 0.000 1.104 712 I CA 1.068 62.434 61.300 0.111 0.000 1.397 712 I CB -0.431 37.577 38.000 0.013 0.000 1.072 712 I HN -0.100 nan 8.210 nan 0.000 0.417 713 L N 0.333 121.610 121.223 0.090 0.000 2.046 713 L HA -0.147 4.190 4.340 -0.004 0.000 0.208 713 L C 2.656 179.472 176.870 -0.090 0.000 1.077 713 L CA 1.631 56.392 54.840 -0.132 0.000 0.747 713 L CB -1.073 40.917 42.059 -0.114 0.000 0.896 713 L HN 0.267 nan 8.230 nan 0.000 0.432 714 G N -0.259 108.544 108.800 0.005 0.000 2.446 714 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.217 714 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.217 714 G C 1.633 176.555 174.900 0.035 0.000 1.168 714 G CA 1.429 46.546 45.100 0.029 0.000 0.771 714 G HN 0.451 nan 8.290 nan 0.000 0.551 715 T N -0.718 113.868 114.554 0.052 0.000 2.915 715 T HA -0.041 4.307 4.350 -0.004 0.000 0.269 715 T C 1.892 176.633 174.700 0.068 0.000 1.071 715 T CA 1.025 63.164 62.100 0.065 0.000 1.132 715 T CB -0.151 68.760 68.868 0.072 0.000 0.878 715 T HN 0.200 nan 8.240 nan 0.000 0.479 716 N N 0.994 119.722 118.700 0.047 0.000 2.461 716 N HA 0.152 4.890 4.740 -0.004 0.000 0.188 716 N C 0.128 175.643 175.510 0.009 0.000 1.134 716 N CA 0.107 53.185 53.050 0.048 0.000 0.878 716 N CB -0.060 38.466 38.487 0.064 0.000 0.972 716 N HN 0.462 nan 8.380 nan 0.000 0.456 717 L N 1.768 122.990 121.223 -0.001 0.000 2.416 717 L HA 0.102 4.440 4.340 -0.004 0.000 0.243 717 L C 0.068 176.976 176.870 0.063 0.000 1.373 717 L CA -0.199 54.648 54.840 0.013 0.000 1.227 717 L CB -0.837 41.224 42.059 0.003 0.000 1.428 717 L HN -0.054 nan 8.230 nan 0.000 0.425 718 N N 1.198 119.963 118.700 0.107 0.000 2.491 718 N HA 0.335 5.072 4.740 -0.004 0.000 0.274 718 N C -1.988 173.601 175.510 0.131 0.000 1.023 718 N CA -1.925 51.208 53.050 0.139 0.000 0.902 718 N CB 2.058 40.682 38.487 0.228 0.000 1.267 718 N HN -0.157 nan 8.380 nan 0.000 0.503 719 P HA -0.099 nan 4.420 nan 0.000 0.220 719 P C 0.717 178.003 177.300 -0.024 0.000 1.148 719 P CA 0.905 64.023 63.100 0.030 0.000 0.803 719 P CB 0.392 32.102 31.700 0.015 0.000 0.782 720 E N -0.519 119.619 120.200 -0.104 0.000 2.114 720 E HA -0.161 4.187 4.350 -0.004 0.000 0.199 720 E C 0.295 176.613 176.600 -0.471 0.000 1.008 720 E CA 1.118 57.308 56.400 -0.350 0.000 0.810 720 E CB -0.587 28.774 29.700 -0.566 0.000 0.739 720 E HN 0.406 nan 8.360 nan 0.000 0.456 721 F N 0.679 120.652 119.950 0.039 0.000 2.359 721 F HA 0.259 4.784 4.527 -0.004 0.000 0.355 721 F C 1.480 177.306 175.800 0.044 0.000 1.132 721 F CA -0.497 57.530 58.000 0.045 0.000 1.246 721 F CB -0.042 38.994 39.000 0.059 0.000 1.569 721 F HN -0.167 nan 8.300 nan 0.000 0.561 722 I N 0.046 120.692 120.570 0.127 0.000 2.113 722 I HA -0.386 3.782 4.170 -0.004 0.000 0.242 722 I C 2.614 178.796 176.117 0.109 0.000 1.064 722 I CA 1.786 63.140 61.300 0.090 0.000 1.320 722 I CB -0.432 37.598 38.000 0.050 0.000 1.028 722 I HN 0.537 nan 8.210 nan 0.000 0.406 723 S N -0.019 115.754 115.700 0.121 0.000 2.402 723 S HA -0.102 4.366 4.470 -0.004 0.000 0.229 723 S C 1.988 176.669 174.600 0.134 0.000 1.021 723 S CA 1.152 59.415 58.200 0.105 0.000 0.974 723 S CB -0.167 63.089 63.200 0.093 0.000 0.800 723 S HN 0.233 nan 8.310 nan 0.000 0.484 724 V N 0.411 120.434 119.914 0.182 0.000 2.283 724 V HA -0.142 3.976 4.120 -0.004 0.000 0.243 724 V C 2.641 178.830 176.094 0.158 0.000 1.039 724 V CA 1.640 64.069 62.300 0.214 0.000 1.016 724 V CB -1.114 30.838 31.823 0.215 0.000 0.650 724 V HN 0.720 nan 8.190 nan 0.000 0.449 725 C N 0.394 119.776 119.300 0.137 0.000 2.385 725 C HA -0.259 4.199 4.460 -0.004 0.000 0.275 725 C C 2.710 177.729 174.990 0.048 0.000 1.207 725 C CA 2.057 61.117 59.018 0.069 0.000 1.760 725 C CB -1.718 26.077 27.740 0.091 0.000 2.051 725 C HN 0.714 nan 8.230 nan 0.000 0.467 726 N N 0.128 118.873 118.700 0.076 0.000 2.011 726 N HA -0.196 4.542 4.740 -0.004 0.000 0.199 726 N C 1.282 176.862 175.510 0.117 0.000 1.047 726 N CA 2.124 55.220 53.050 0.077 0.000 0.863 726 N CB -0.289 38.233 38.487 0.058 0.000 1.056 726 N HN 0.565 nan 8.380 nan 0.000 0.427 727 N N 0.583 119.368 118.700 0.142 0.000 2.244 727 N HA -0.065 4.673 4.740 -0.004 0.000 0.183 727 N C 1.452 177.074 175.510 0.187 0.000 1.016 727 N CA 0.991 54.192 53.050 0.252 0.000 0.866 727 N CB -0.481 38.178 38.487 0.287 0.000 0.980 727 N HN 0.316 nan 8.380 nan 0.000 0.430 728 A N 0.307 123.073 122.820 -0.091 0.000 1.873 728 A HA -0.098 4.220 4.320 -0.004 0.000 0.215 728 A C 2.291 179.766 177.584 -0.181 0.000 1.186 728 A CA 1.906 53.679 52.037 -0.439 0.000 0.616 728 A CB -1.109 17.441 19.000 -0.750 0.000 0.823 728 A HN 0.294 nan 8.150 nan 0.000 0.442 729 T N -1.393 113.127 114.554 -0.058 0.000 2.684 729 T HA -0.227 4.121 4.350 -0.004 0.000 0.267 729 T C 1.511 176.245 174.700 0.057 0.000 1.036 729 T CA 1.587 63.687 62.100 -0.000 0.000 1.148 729 T CB -0.417 68.473 68.868 0.038 0.000 0.863 729 T HN 0.740 nan 8.240 nan 0.000 0.436 730 W N 2.339 123.611 121.300 -0.047 0.000 2.335 730 W HA -0.087 4.570 4.660 -0.003 0.000 0.311 730 W C 2.588 179.089 176.519 -0.030 0.000 1.213 730 W CA 1.124 58.454 57.345 -0.025 0.000 1.274 730 W CB -0.790 28.665 29.460 -0.008 0.000 1.148 730 W HN 0.254 nan 8.180 nan 0.000 0.498 731 A N 0.438 123.136 122.820 -0.205 0.000 1.908 731 A HA -0.201 4.117 4.320 -0.004 0.000 0.218 731 A C 2.081 179.475 177.584 -0.317 0.000 1.181 731 A CA 2.161 53.959 52.037 -0.399 0.000 0.627 731 A CB -1.060 17.841 19.000 -0.164 0.000 0.818 731 A HN 0.417 nan 8.150 nan 0.000 0.445 732 I N -0.313 120.138 120.570 -0.198 0.000 2.127 732 I HA -0.247 3.921 4.170 -0.004 0.000 0.241 732 I C 2.777 178.803 176.117 -0.152 0.000 1.075 732 I CA 1.279 62.494 61.300 -0.140 0.000 1.334 732 I CB -0.853 37.094 38.000 -0.088 0.000 1.040 732 I HN 0.395 nan 8.210 nan 0.000 0.405 733 G N 0.436 109.143 108.800 -0.155 0.000 2.476 733 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.218 733 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.218 733 G C 1.552 176.324 174.900 -0.214 0.000 1.164 733 G CA 0.749 45.767 45.100 -0.137 0.000 0.768 733 G HN 0.306 nan 8.290 nan 0.000 0.560 734 E N 0.315 120.281 120.200 -0.391 0.000 2.110 734 E HA -0.051 4.296 4.350 -0.004 0.000 0.193 734 E C 2.614 179.021 176.600 -0.322 0.000 0.988 734 E CA 0.484 56.632 56.400 -0.420 0.000 0.804 734 E CB -0.172 29.100 29.700 -0.712 0.000 0.745 734 E HN 0.555 nan 8.360 nan 0.000 0.458 735 I N 1.259 121.668 120.570 -0.270 0.000 2.202 735 I HA -0.259 3.909 4.170 -0.004 0.000 0.242 735 I C 2.628 178.631 176.117 -0.190 0.000 1.091 735 I CA 1.294 62.478 61.300 -0.194 0.000 1.368 735 I CB -0.363 37.587 38.000 -0.083 0.000 1.058 735 I HN 0.068 nan 8.210 nan 0.000 0.410 736 S N 1.339 116.966 115.700 -0.122 0.000 2.383 736 S HA -0.197 4.271 4.470 -0.004 0.000 0.229 736 S C 2.033 176.587 174.600 -0.077 0.000 1.030 736 S CA 1.126 59.289 58.200 -0.062 0.000 1.002 736 S CB -0.900 62.287 63.200 -0.022 0.000 0.829 736 S HN 0.410 nan 8.310 nan 0.000 0.467 737 I N 1.373 121.872 120.570 -0.119 0.000 2.163 737 I HA -0.194 3.974 4.170 -0.004 0.000 0.243 737 I C 3.045 179.048 176.117 -0.191 0.000 1.085 737 I CA 1.533 62.768 61.300 -0.109 0.000 1.347 737 I CB -0.415 37.508 38.000 -0.129 0.000 1.044 737 I HN 0.374 nan 8.210 nan 0.000 0.408 738 Q N -0.267 119.296 119.800 -0.396 0.000 2.123 738 Q HA -0.112 4.226 4.340 -0.004 0.000 0.199 738 Q C 2.246 177.964 176.000 -0.470 0.000 0.966 738 Q CA 1.211 56.610 55.803 -0.674 0.000 0.845 738 Q CB -0.109 27.646 28.738 -1.638 0.000 0.907 738 Q HN 0.506 nan 8.270 nan 0.000 0.439 739 M N -0.788 118.644 119.600 -0.279 0.000 2.193 739 M HA 0.007 4.484 4.480 -0.004 0.000 0.265 739 M C 1.320 177.635 176.300 0.026 0.000 1.071 739 M CA 1.382 56.681 55.300 -0.002 0.000 1.140 739 M CB -0.868 31.791 32.600 0.097 0.000 1.369 739 M HN 0.283 nan 8.290 nan 0.000 0.423 740 G N 1.266 110.066 108.800 -0.000 0.000 2.509 740 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.259 740 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.259 740 G C 0.583 175.498 174.900 0.025 0.000 1.169 740 G CA 0.140 45.249 45.100 0.015 0.000 0.953 740 G HN 0.411 nan 8.290 nan 0.000 0.563 741 I N 0.429 121.007 120.570 0.014 0.000 2.361 741 I HA 0.015 4.183 4.170 -0.004 0.000 0.251 741 I C 2.343 178.482 176.117 0.037 0.000 1.133 741 I CA 2.325 63.631 61.300 0.009 0.000 1.413 741 I CB -0.586 37.411 38.000 -0.004 0.000 1.073 741 I HN 0.602 nan 8.210 nan 0.000 0.424 742 E N 0.808 121.047 120.200 0.065 0.000 2.331 742 E HA -0.257 4.090 4.350 -0.004 0.000 0.199 742 E C 2.011 178.713 176.600 0.170 0.000 1.008 742 E CA 1.249 57.712 56.400 0.105 0.000 0.843 742 E CB -0.308 29.475 29.700 0.139 0.000 0.761 742 E HN 0.454 nan 8.360 nan 0.000 0.507 743 M N 0.911 120.613 119.600 0.169 0.000 2.446 743 M HA -0.177 4.301 4.480 -0.004 0.000 0.263 743 M C 1.734 178.139 176.300 0.175 0.000 1.066 743 M CA 1.405 56.853 55.300 0.247 0.000 1.087 743 M CB -0.024 32.659 32.600 0.139 0.000 1.406 743 M HN 0.004 nan 8.290 nan 0.000 0.459 744 Q N 0.292 120.126 119.800 0.057 0.000 2.012 744 Q HA -0.227 4.111 4.340 -0.004 0.000 0.211 744 Q C -0.690 175.268 176.000 -0.070 0.000 1.009 744 Q CA 2.677 58.474 55.803 -0.009 0.000 0.866 744 Q CB -1.533 27.188 28.738 -0.029 0.000 0.945 744 Q HN 0.401 nan 8.270 nan 0.000 0.414 745 P HA -0.158 nan 4.420 nan 0.000 0.219 745 P C 0.125 177.245 177.300 -0.300 0.000 1.146 745 P CA 1.353 64.250 63.100 -0.338 0.000 0.808 745 P CB -0.125 31.221 31.700 -0.589 0.000 0.779 746 Y N -2.050 118.273 120.300 0.038 0.000 2.490 746 Y HA 0.157 4.704 4.550 -0.004 0.000 0.281 746 Y C 2.018 177.936 175.900 0.031 0.000 1.174 746 Y CA -0.145 57.980 58.100 0.043 0.000 1.295 746 Y CB -0.678 37.813 38.460 0.053 0.000 1.062 746 Y HN -0.085 nan 8.280 nan 0.000 0.522 747 I N 0.507 121.145 120.570 0.114 0.000 2.333 747 I HA -0.090 4.078 4.170 -0.004 0.000 0.246 747 I C -0.666 175.478 176.117 0.046 0.000 1.106 747 I CA 0.394 61.731 61.300 0.061 0.000 1.411 747 I CB -1.102 36.910 38.000 0.020 0.000 1.082 747 I HN 0.074 nan 8.210 nan 0.000 0.420 748 P HA -0.186 nan 4.420 nan 0.000 0.215 748 P C 1.735 179.149 177.300 0.190 0.000 1.153 748 P CA 1.541 64.724 63.100 0.137 0.000 0.853 748 P CB -0.234 31.539 31.700 0.122 0.000 0.788 749 M N -3.393 116.289 119.600 0.137 0.000 2.700 749 M HA 0.036 4.514 4.480 -0.004 0.000 0.249 749 M C 0.719 177.089 176.300 0.118 0.000 1.082 749 M CA 1.438 56.816 55.300 0.130 0.000 1.077 749 M CB -0.356 32.320 32.600 0.127 0.000 1.477 749 M HN -0.230 nan 8.290 nan 0.000 0.529 750 V N -0.847 119.128 119.914 0.103 0.000 3.141 750 V HA -0.001 4.116 4.120 -0.004 0.000 0.225 750 V C 1.777 177.886 176.094 0.024 0.000 1.352 750 V CA 0.175 62.511 62.300 0.059 0.000 1.316 750 V CB 0.235 32.084 31.823 0.042 0.000 1.126 750 V HN 0.423 nan 8.190 nan 0.000 0.493 751 L N 0.742 121.944 121.223 -0.034 0.000 2.013 751 L HA -0.206 4.132 4.340 -0.004 0.000 0.212 751 L C 2.496 179.285 176.870 -0.134 0.000 1.073 751 L CA 2.371 57.127 54.840 -0.141 0.000 0.753 751 L CB -0.974 40.935 42.059 -0.250 0.000 0.890 751 L HN 0.458 nan 8.230 nan 0.000 0.432 752 H N -0.677 118.410 119.070 0.029 0.000 2.387 752 H HA -0.153 4.401 4.556 -0.004 0.000 0.299 752 H C 2.187 177.537 175.328 0.036 0.000 1.099 752 H CA 1.869 57.940 56.048 0.038 0.000 1.315 752 H CB -0.115 29.669 29.762 0.037 0.000 1.380 752 H HN 0.600 nan 8.280 nan 0.000 0.513 753 Q N 0.286 120.171 119.800 0.142 0.000 2.079 753 Q HA -0.064 4.274 4.340 -0.004 0.000 0.200 753 Q C 2.674 178.709 176.000 0.059 0.000 0.974 753 Q CA 0.677 56.535 55.803 0.090 0.000 0.840 753 Q CB 0.077 28.859 28.738 0.074 0.000 0.898 753 Q HN 0.407 nan 8.270 nan 0.000 0.430 754 L N -0.067 121.173 121.223 0.030 0.000 2.046 754 L HA -0.178 4.160 4.340 -0.004 0.000 0.208 754 L C 2.363 179.246 176.870 0.020 0.000 1.077 754 L CA 0.787 55.632 54.840 0.007 0.000 0.747 754 L CB -0.474 41.563 42.059 -0.036 0.000 0.896 754 L HN 0.092 nan 8.230 nan 0.000 0.432 755 V N -0.465 119.464 119.914 0.024 0.000 2.407 755 V HA -0.265 3.853 4.120 -0.004 0.000 0.248 755 V C 2.542 178.696 176.094 0.100 0.000 1.055 755 V CA 1.665 64.015 62.300 0.083 0.000 1.049 755 V CB -0.489 31.403 31.823 0.115 0.000 0.662 755 V HN 0.456 nan 8.190 nan 0.000 0.455 756 E N -0.023 120.230 120.200 0.088 0.000 2.106 756 E HA -0.170 4.178 4.350 -0.004 0.000 0.192 756 E C 2.179 178.819 176.600 0.067 0.000 0.984 756 E CA 1.353 57.801 56.400 0.080 0.000 0.806 756 E CB -0.067 29.679 29.700 0.078 0.000 0.750 756 E HN 0.612 nan 8.360 nan 0.000 0.458 757 I N 0.639 121.246 120.570 0.061 0.000 2.233 757 I HA -0.231 3.937 4.170 -0.004 0.000 0.243 757 I C 2.621 178.774 176.117 0.060 0.000 1.093 757 I CA 0.658 61.990 61.300 0.054 0.000 1.380 757 I CB -0.130 37.898 38.000 0.047 0.000 1.067 757 I HN 0.088 nan 8.210 nan 0.000 0.413 758 I N 0.840 121.455 120.570 0.074 0.000 2.493 758 I HA -0.254 3.914 4.170 -0.004 0.000 0.254 758 I C 1.935 178.109 176.117 0.095 0.000 1.160 758 I CA 1.293 62.648 61.300 0.092 0.000 1.445 758 I CB -0.178 37.898 38.000 0.127 0.000 1.086 758 I HN 0.302 nan 8.210 nan 0.000 0.433 759 N N 0.719 119.473 118.700 0.090 0.000 2.424 759 N HA 0.006 4.743 4.740 -0.004 0.000 0.178 759 N C 0.352 175.894 175.510 0.055 0.000 1.060 759 N CA 0.163 53.259 53.050 0.076 0.000 0.901 759 N CB 0.094 38.627 38.487 0.078 0.000 0.979 759 N HN 0.286 nan 8.380 nan 0.000 0.451 760 R N 1.679 122.210 120.500 0.051 0.000 2.484 760 R HA 0.007 4.345 4.340 -0.004 0.000 0.293 760 R C -1.335 174.986 176.300 0.034 0.000 1.023 760 R CA -1.091 55.032 56.100 0.039 0.000 1.037 760 R CB 0.622 30.943 30.300 0.035 0.000 0.951 760 R HN 0.059 nan 8.270 nan 0.000 0.418 761 P HA -0.120 nan 4.420 nan 0.000 0.213 761 P C -0.188 177.127 177.300 0.025 0.000 1.170 761 P CA 1.368 64.483 63.100 0.026 0.000 0.898 761 P CB 0.236 31.948 31.700 0.020 0.000 0.787 762 N N -0.973 117.740 118.700 0.020 0.000 3.170 762 N HA 0.141 4.879 4.740 -0.004 0.000 0.305 762 N C -1.028 174.492 175.510 0.017 0.000 1.499 762 N CA 0.119 53.180 53.050 0.018 0.000 1.110 762 N CB -0.404 38.090 38.487 0.012 0.000 1.390 762 N HN -0.043 nan 8.380 nan 0.000 0.508 763 T N 1.313 115.881 114.554 0.023 0.000 2.771 763 T HA 0.349 4.697 4.350 -0.004 0.000 0.291 763 T C -2.137 172.577 174.700 0.023 0.000 0.954 763 T CA -1.213 60.901 62.100 0.024 0.000 1.045 763 T CB 1.151 70.038 68.868 0.032 0.000 0.917 763 T HN 0.121 nan 8.240 nan 0.000 0.484 764 P HA 0.154 nan 4.420 nan 0.000 0.267 764 P C 1.129 178.440 177.300 0.019 0.000 1.195 764 P CA -0.031 63.079 63.100 0.017 0.000 0.773 764 P CB 0.416 32.126 31.700 0.016 0.000 0.837 765 K N 1.247 121.656 120.400 0.016 0.000 2.001 765 K HA -0.206 4.112 4.320 -0.004 0.000 0.214 765 K C 1.892 178.498 176.600 0.011 0.000 1.050 765 K CA 2.887 59.183 56.287 0.016 0.000 0.934 765 K CB -2.300 30.206 32.500 0.011 0.000 0.718 765 K HN 0.696 nan 8.250 nan 0.000 0.443 766 T N 0.761 115.319 114.554 0.006 0.000 2.833 766 T HA -0.077 4.271 4.350 -0.004 0.000 0.269 766 T C 1.977 176.683 174.700 0.010 0.000 1.054 766 T CA 1.147 63.247 62.100 0.000 0.000 1.135 766 T CB -0.245 68.618 68.868 -0.008 0.000 0.869 766 T HN 0.246 nan 8.240 nan 0.000 0.466 767 L N 1.044 122.279 121.223 0.020 0.000 2.017 767 L HA 0.101 4.439 4.340 -0.004 0.000 0.208 767 L C 2.225 179.114 176.870 0.031 0.000 1.073 767 L CA 1.430 56.288 54.840 0.030 0.000 0.745 767 L CB -0.874 41.205 42.059 0.034 0.000 0.894 767 L HN 0.230 nan 8.230 nan 0.000 0.432 768 L N -0.724 120.516 121.223 0.028 0.000 2.043 768 L HA -0.268 4.070 4.340 -0.004 0.000 0.212 768 L C 2.538 179.414 176.870 0.009 0.000 1.075 768 L CA 1.657 56.514 54.840 0.028 0.000 0.752 768 L CB -0.696 41.381 42.059 0.030 0.000 0.891 768 L HN 0.369 nan 8.230 nan 0.000 0.432 769 E N -0.015 120.184 120.200 -0.002 0.000 2.038 769 E HA -0.229 4.119 4.350 -0.004 0.000 0.195 769 E C 1.947 178.549 176.600 0.003 0.000 1.000 769 E CA 1.342 57.729 56.400 -0.022 0.000 0.803 769 E CB -0.206 29.483 29.700 -0.018 0.000 0.750 769 E HN 0.504 nan 8.360 nan 0.000 0.448 770 N N 0.047 118.766 118.700 0.033 0.000 2.309 770 N HA -0.074 4.664 4.740 -0.004 0.000 0.182 770 N C 1.788 177.346 175.510 0.081 0.000 1.018 770 N CA 1.115 54.211 53.050 0.077 0.000 0.876 770 N CB -0.054 38.490 38.487 0.095 0.000 0.972 770 N HN 0.136 nan 8.380 nan 0.000 0.434 771 T N 1.047 115.636 114.554 0.058 0.000 2.737 771 T HA -0.014 4.334 4.350 -0.004 0.000 0.265 771 T C 2.093 176.841 174.700 0.080 0.000 1.038 771 T CA 1.159 63.292 62.100 0.056 0.000 1.144 771 T CB -0.245 68.653 68.868 0.050 0.000 0.866 771 T HN 0.269 nan 8.240 nan 0.000 0.434 772 A N 1.345 124.210 122.820 0.075 0.000 1.908 772 A HA -0.072 4.246 4.320 -0.004 0.000 0.218 772 A C 2.296 180.029 177.584 0.249 0.000 1.181 772 A CA 1.385 53.490 52.037 0.113 0.000 0.627 772 A CB -0.894 17.942 19.000 -0.274 0.000 0.818 772 A HN 0.520 nan 8.150 nan 0.000 0.445 773 I N -0.657 119.995 120.570 0.137 0.000 2.179 773 I HA -0.230 3.938 4.170 -0.004 0.000 0.242 773 I C 2.615 178.832 176.117 0.166 0.000 1.088 773 I CA 1.818 63.227 61.300 0.181 0.000 1.357 773 I CB -0.591 37.490 38.000 0.136 0.000 1.051 773 I HN 0.267 nan 8.210 nan 0.000 0.409 774 T N 1.022 115.642 114.554 0.109 0.000 2.737 774 T HA -0.068 4.280 4.350 -0.004 0.000 0.265 774 T C 1.941 176.648 174.700 0.012 0.000 1.038 774 T CA 1.243 63.372 62.100 0.048 0.000 1.144 774 T CB -0.254 68.627 68.868 0.023 0.000 0.866 774 T HN 0.203 nan 8.240 nan 0.000 0.434 775 I N 1.330 121.889 120.570 -0.018 0.000 2.163 775 I HA -0.168 4.000 4.170 -0.004 0.000 0.243 775 I C 2.882 178.918 176.117 -0.136 0.000 1.085 775 I CA 1.425 62.614 61.300 -0.184 0.000 1.347 775 I CB -0.840 36.916 38.000 -0.407 0.000 1.044 775 I HN 0.322 nan 8.210 nan 0.000 0.408 776 G N 0.547 109.385 108.800 0.064 0.000 2.491 776 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.218 776 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.218 776 G C 1.803 176.765 174.900 0.104 0.000 1.180 776 G CA 0.732 45.905 45.100 0.122 0.000 0.774 776 G HN 0.292 nan 8.290 nan 0.000 0.562 777 R N -0.347 120.215 120.500 0.104 0.000 2.120 777 R HA 0.081 4.419 4.340 -0.004 0.000 0.234 777 R C 2.675 179.026 176.300 0.084 0.000 1.123 777 R CA 0.813 56.964 56.100 0.084 0.000 0.975 777 R CB -0.362 29.960 30.300 0.036 0.000 0.866 777 R HN 0.349 nan 8.270 nan 0.000 0.446 778 L N -0.901 120.339 121.223 0.028 0.000 2.056 778 L HA -0.069 4.269 4.340 -0.004 0.000 0.207 778 L C 2.538 179.416 176.870 0.013 0.000 1.078 778 L CA 1.372 56.217 54.840 0.008 0.000 0.749 778 L CB -0.654 41.384 42.059 -0.035 0.000 0.901 778 L HN 0.341 nan 8.230 nan 0.000 0.433 779 G N -1.194 107.607 108.800 0.002 0.000 2.432 779 G HA2 -0.342 3.616 3.960 -0.004 0.000 0.219 779 G HA3 -0.342 3.616 3.960 -0.004 0.000 0.219 779 G C 1.499 176.416 174.900 0.028 0.000 1.135 779 G CA 0.565 45.667 45.100 0.004 0.000 0.767 779 G HN 0.343 nan 8.290 nan 0.000 0.550 780 Y N 0.215 120.490 120.300 -0.041 0.000 2.224 780 Y HA 0.025 4.573 4.550 -0.004 0.000 0.289 780 Y C 2.569 178.449 175.900 -0.032 0.000 1.146 780 Y CA 1.564 59.643 58.100 -0.036 0.000 1.182 780 Y CB 0.041 38.491 38.460 -0.017 0.000 0.983 780 Y HN 0.062 nan 8.280 nan 0.000 0.524 781 V N -1.682 118.244 119.914 0.019 0.000 3.431 781 V HA 0.073 4.190 4.120 -0.004 0.000 0.253 781 V C -0.131 175.930 176.094 -0.056 0.000 1.184 781 V CA 0.674 62.957 62.300 -0.029 0.000 1.104 781 V CB 0.368 32.238 31.823 0.079 0.000 0.799 781 V HN 0.403 nan 8.190 nan 0.000 0.462 782 C N 1.908 121.185 119.300 -0.039 0.000 3.328 782 C HA 0.386 4.844 4.460 -0.004 0.000 0.230 782 C C -1.380 173.583 174.990 -0.044 0.000 1.232 782 C CA -0.683 58.311 59.018 -0.039 0.000 1.431 782 C CB 0.758 28.490 27.740 -0.014 0.000 1.818 782 C HN 0.413 nan 8.230 nan 0.000 0.484 783 P HA -0.106 nan 4.420 nan 0.000 0.220 783 P C 1.552 178.825 177.300 -0.045 0.000 1.152 783 P CA 1.397 64.459 63.100 -0.062 0.000 0.812 783 P CB 0.236 31.879 31.700 -0.094 0.000 0.792 784 Q N 0.031 119.804 119.800 -0.044 0.000 2.084 784 Q HA -0.159 4.179 4.340 -0.004 0.000 0.202 784 Q C 2.011 177.998 176.000 -0.022 0.000 0.978 784 Q CA 1.235 57.018 55.803 -0.033 0.000 0.844 784 Q CB -0.766 27.952 28.738 -0.033 0.000 0.898 784 Q HN 0.289 nan 8.270 nan 0.000 0.426 785 E N 0.323 120.510 120.200 -0.021 0.000 2.031 785 E HA -0.095 4.253 4.350 -0.004 0.000 0.193 785 E C 2.191 178.783 176.600 -0.013 0.000 0.994 785 E CA 0.997 57.387 56.400 -0.016 0.000 0.800 785 E CB -0.073 29.616 29.700 -0.017 0.000 0.752 785 E HN 0.166 nan 8.360 nan 0.000 0.447 786 V N 0.801 120.709 119.914 -0.010 0.000 2.725 786 V HA -0.016 4.102 4.120 -0.004 0.000 0.247 786 V C 2.321 178.460 176.094 0.074 0.000 1.058 786 V CA 1.130 63.438 62.300 0.013 0.000 1.080 786 V CB -0.684 31.133 31.823 -0.010 0.000 0.713 786 V HN 0.196 nan 8.190 nan 0.000 0.465 787 A N 1.037 123.875 122.820 0.030 0.000 1.917 787 A HA -0.146 4.172 4.320 -0.004 0.000 0.219 787 A C 0.564 178.142 177.584 -0.010 0.000 1.182 787 A CA 2.133 54.174 52.037 0.007 0.000 0.633 787 A CB -1.913 17.067 19.000 -0.035 0.000 0.819 787 A HN 0.520 nan 8.150 nan 0.000 0.448 788 P HA -0.165 nan 4.420 nan 0.000 0.217 788 P C 1.175 178.468 177.300 -0.011 0.000 1.151 788 P CA 1.359 64.452 63.100 -0.010 0.000 0.849 788 P CB -0.153 31.551 31.700 0.006 0.000 0.787 789 M N -1.941 117.681 119.600 0.036 0.000 2.581 789 M HA 0.047 4.525 4.480 -0.004 0.000 0.224 789 M C 1.372 177.618 176.300 -0.090 0.000 1.171 789 M CA -0.045 55.291 55.300 0.059 0.000 0.993 789 M CB -0.342 32.348 32.600 0.149 0.000 1.685 789 M HN -0.065 nan 8.290 nan 0.000 0.479 790 L N 1.118 122.181 121.223 -0.267 0.000 2.079 790 L HA -0.219 4.119 4.340 -0.004 0.000 0.210 790 L C 2.111 178.513 176.870 -0.780 0.000 1.081 790 L CA 2.200 56.595 54.840 -0.742 0.000 0.752 790 L CB -0.454 41.351 42.059 -0.423 0.000 0.896 790 L HN 0.364 nan 8.230 nan 0.000 0.433 791 Q N -1.238 118.327 119.800 -0.391 0.000 2.167 791 Q HA -0.201 4.137 4.340 -0.004 0.000 0.202 791 Q C 2.117 177.978 176.000 -0.232 0.000 0.970 791 Q CA 1.649 57.291 55.803 -0.268 0.000 0.855 791 Q CB -0.386 28.264 28.738 -0.145 0.000 0.911 791 Q HN 0.619 nan 8.270 nan 0.000 0.438 792 Q N -0.101 119.582 119.800 -0.194 0.000 2.172 792 Q HA -0.075 4.263 4.340 -0.004 0.000 0.200 792 Q C 1.204 177.224 176.000 0.034 0.000 0.964 792 Q CA 1.226 57.004 55.803 -0.043 0.000 0.855 792 Q CB 0.114 28.882 28.738 0.049 0.000 0.918 792 Q HN 0.632 nan 8.270 nan 0.000 0.444 793 F N -2.871 117.089 119.950 0.016 0.000 2.682 793 F HA 0.288 4.813 4.527 -0.004 0.000 0.308 793 F C 1.372 177.236 175.800 0.106 0.000 1.093 793 F CA -0.638 57.398 58.000 0.061 0.000 1.244 793 F CB -0.184 38.854 39.000 0.064 0.000 1.052 793 F HN -0.145 nan 8.300 nan 0.000 0.573 794 I N 1.641 122.074 120.570 -0.228 0.000 2.202 794 I HA -0.122 4.046 4.170 -0.004 0.000 0.242 794 I C 2.508 178.746 176.117 0.202 0.000 1.091 794 I CA 1.530 62.790 61.300 -0.066 0.000 1.368 794 I CB -0.413 37.426 38.000 -0.268 0.000 1.058 794 I HN 0.086 nan 8.210 nan 0.000 0.410 795 R N 0.458 121.010 120.500 0.086 0.000 2.070 795 R HA -0.122 4.216 4.340 -0.004 0.000 0.233 795 R C -0.151 176.252 176.300 0.172 0.000 1.137 795 R CA 2.191 58.322 56.100 0.052 0.000 0.945 795 R CB -1.966 28.232 30.300 -0.169 0.000 0.845 795 R HN 0.374 nan 8.270 nan 0.000 0.430 796 P HA -0.184 nan 4.420 nan 0.000 0.217 796 P C 0.751 178.204 177.300 0.256 0.000 1.150 796 P CA 0.887 64.100 63.100 0.188 0.000 0.832 796 P CB -0.203 31.605 31.700 0.180 0.000 0.787 797 W N 0.149 121.563 121.300 0.190 0.000 2.318 797 W HA -0.278 4.380 4.660 -0.003 0.000 0.313 797 W C 2.126 178.749 176.519 0.173 0.000 1.221 797 W CA 1.620 59.092 57.345 0.212 0.000 1.266 797 W CB -1.024 28.632 29.460 0.327 0.000 1.150 797 W HN -0.064 nan 8.180 nan 0.000 0.496 798 C N -0.249 119.354 119.300 0.504 0.000 2.429 798 C HA -0.191 4.266 4.460 -0.004 0.000 0.277 798 C C 2.563 177.488 174.990 -0.110 0.000 1.262 798 C CA 1.841 61.009 59.018 0.250 0.000 1.733 798 C CB -1.469 26.497 27.740 0.377 0.000 2.010 798 C HN 0.414 nan 8.230 nan 0.000 0.483 799 T N 0.653 115.220 114.554 0.022 0.000 2.833 799 T HA -0.129 4.219 4.350 -0.004 0.000 0.269 799 T C 1.860 176.557 174.700 -0.005 0.000 1.054 799 T CA 1.766 63.853 62.100 -0.022 0.000 1.135 799 T CB -0.289 68.637 68.868 0.096 0.000 0.869 799 T HN 0.554 nan 8.240 nan 0.000 0.466 800 S N 1.370 117.044 115.700 -0.043 0.000 2.481 800 S HA 0.142 4.610 4.470 -0.004 0.000 0.231 800 S C 1.728 176.282 174.600 -0.077 0.000 0.996 800 S CA 0.378 58.543 58.200 -0.059 0.000 0.942 800 S CB -0.396 62.738 63.200 -0.110 0.000 0.768 800 S HN 0.406 nan 8.310 nan 0.000 0.520 801 L N 1.031 122.189 121.223 -0.108 0.000 2.633 801 L HA 0.037 4.375 4.340 -0.004 0.000 0.235 801 L C 2.352 179.396 176.870 0.289 0.000 1.163 801 L CA 0.328 55.165 54.840 -0.005 0.000 0.859 801 L CB -0.375 41.650 42.059 -0.056 0.000 0.973 801 L HN 0.214 nan 8.230 nan 0.000 0.451 802 R N 0.765 121.489 120.500 0.373 0.000 2.132 802 R HA -0.200 4.138 4.340 -0.004 0.000 0.233 802 R C 1.799 178.062 176.300 -0.063 0.000 1.125 802 R CA 2.300 58.532 56.100 0.220 0.000 0.914 802 R CB -0.045 30.409 30.300 0.256 0.000 0.845 802 R HN 0.376 nan 8.270 nan 0.000 0.431 803 N N -0.098 118.587 118.700 -0.025 0.000 2.392 803 N HA 0.061 4.799 4.740 -0.004 0.000 0.177 803 N C -0.029 175.448 175.510 -0.056 0.000 1.066 803 N CA 0.347 53.361 53.050 -0.060 0.000 0.895 803 N CB 0.158 38.621 38.487 -0.039 0.000 0.988 803 N HN 0.229 nan 8.380 nan 0.000 0.457 804 I N 3.174 123.719 120.570 -0.040 0.000 2.664 804 I HA -0.064 4.104 4.170 -0.004 0.000 0.284 804 I C 1.242 177.333 176.117 -0.044 0.000 1.154 804 I CA -0.174 61.103 61.300 -0.038 0.000 1.402 804 I CB 0.152 38.129 38.000 -0.037 0.000 1.395 804 I HN 0.083 nan 8.210 nan 0.000 0.545 805 R N 4.882 125.359 120.500 -0.039 0.000 2.574 805 R HA 0.242 4.580 4.340 -0.004 0.000 0.266 805 R C -0.553 175.734 176.300 -0.021 0.000 1.157 805 R CA -0.805 55.272 56.100 -0.039 0.000 1.187 805 R CB 0.468 30.746 30.300 -0.036 0.000 1.179 805 R HN 0.376 nan 8.270 nan 0.000 0.600 806 D N 1.152 121.541 120.400 -0.018 0.000 2.671 806 D HA 0.066 4.704 4.640 -0.004 0.000 0.228 806 D C -0.740 175.566 176.300 0.011 0.000 1.102 806 D CA 0.189 54.188 54.000 -0.003 0.000 1.044 806 D CB -0.606 40.190 40.800 -0.006 0.000 1.113 806 D HN 0.435 nan 8.370 nan 0.000 0.480 807 N N -0.829 117.882 118.700 0.018 0.000 2.502 807 N HA 0.170 4.907 4.740 -0.004 0.000 0.280 807 N C 0.950 176.485 175.510 0.042 0.000 1.223 807 N CA -0.770 52.296 53.050 0.026 0.000 0.966 807 N CB 0.867 39.368 38.487 0.024 0.000 1.203 807 N HN -0.257 nan 8.380 nan 0.000 0.565 808 E N -0.459 119.765 120.200 0.040 0.000 2.401 808 E HA -0.172 4.176 4.350 -0.004 0.000 0.199 808 E C 0.647 177.276 176.600 0.048 0.000 1.023 808 E CA 1.317 57.741 56.400 0.039 0.000 0.859 808 E CB -0.073 29.645 29.700 0.030 0.000 0.780 808 E HN 0.637 nan 8.360 nan 0.000 0.523 809 E N -0.053 120.187 120.200 0.066 0.000 2.060 809 E HA -0.103 4.245 4.350 -0.004 0.000 0.189 809 E C 1.917 178.579 176.600 0.103 0.000 0.974 809 E CA 0.640 57.092 56.400 0.087 0.000 0.808 809 E CB -0.170 29.593 29.700 0.105 0.000 0.768 809 E HN 0.165 nan 8.360 nan 0.000 0.453 810 K N 1.340 121.795 120.400 0.092 0.000 2.057 810 K HA -0.203 4.114 4.320 -0.004 0.000 0.207 810 K C 1.989 178.708 176.600 0.199 0.000 1.049 810 K CA 1.499 57.855 56.287 0.115 0.000 0.931 810 K CB -0.045 32.488 32.500 0.055 0.000 0.714 810 K HN 0.006 nan 8.250 nan 0.000 0.440 811 D N 0.372 120.865 120.400 0.154 0.000 2.156 811 D HA -0.187 4.451 4.640 -0.004 0.000 0.190 811 D C 1.907 178.313 176.300 0.178 0.000 0.998 811 D CA 2.343 56.453 54.000 0.183 0.000 0.842 811 D CB -0.169 40.693 40.800 0.103 0.000 0.974 811 D HN 0.361 nan 8.370 nan 0.000 0.447 812 S N 0.615 116.346 115.700 0.051 0.000 2.382 812 S HA -0.090 4.378 4.470 -0.004 0.000 0.228 812 S C 2.268 176.875 174.600 0.011 0.000 1.027 812 S CA 1.583 59.719 58.200 -0.106 0.000 0.991 812 S CB -0.442 62.645 63.200 -0.189 0.000 0.823 812 S HN 0.377 nan 8.310 nan 0.000 0.469 813 A N 1.208 124.139 122.820 0.185 0.000 1.908 813 A HA 0.028 4.345 4.320 -0.004 0.000 0.218 813 A C 1.978 179.865 177.584 0.506 0.000 1.181 813 A CA 1.580 53.832 52.037 0.357 0.000 0.627 813 A CB -1.050 18.220 19.000 0.450 0.000 0.818 813 A HN 0.610 nan 8.150 nan 0.000 0.445 814 F N 0.566 120.750 119.950 0.392 0.000 2.206 814 F HA -0.016 4.508 4.527 -0.004 0.000 0.298 814 F C 2.269 178.201 175.800 0.219 0.000 1.090 814 F CA 1.221 59.464 58.000 0.405 0.000 1.323 814 F CB -0.262 38.997 39.000 0.431 0.000 1.028 814 F HN 0.105 nan 8.300 nan 0.000 0.492 815 R N -0.136 120.393 120.500 0.049 0.000 2.120 815 R HA -0.085 4.253 4.340 -0.004 0.000 0.234 815 R C 2.498 178.867 176.300 0.115 0.000 1.123 815 R CA 1.060 57.157 56.100 -0.005 0.000 0.975 815 R CB -1.062 29.277 30.300 0.065 0.000 0.866 815 R HN 0.464 nan 8.270 nan 0.000 0.446 816 G N 1.273 110.168 108.800 0.158 0.000 2.394 816 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.215 816 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.215 816 G C 1.369 176.235 174.900 -0.056 0.000 1.165 816 G CA 0.175 45.368 45.100 0.155 0.000 0.784 816 G HN 0.034 nan 8.290 nan 0.000 0.535 817 I N 1.208 121.664 120.570 -0.189 0.000 2.179 817 I HA -0.138 4.030 4.170 -0.004 0.000 0.242 817 I C 2.971 178.865 176.117 -0.372 0.000 1.088 817 I CA 0.571 61.647 61.300 -0.374 0.000 1.357 817 I CB -1.336 36.275 38.000 -0.647 0.000 1.051 817 I HN 0.174 nan 8.210 nan 0.000 0.409 818 C N 0.633 119.686 119.300 -0.412 0.000 2.413 818 C HA -0.185 4.272 4.460 -0.004 0.000 0.276 818 C C 2.958 177.793 174.990 -0.258 0.000 1.236 818 C CA 1.608 60.383 59.018 -0.404 0.000 1.735 818 C CB -1.308 26.143 27.740 -0.483 0.000 2.031 818 C HN 0.536 nan 8.230 nan 0.000 0.474 819 T N 0.888 115.338 114.554 -0.173 0.000 2.803 819 T HA -0.203 4.145 4.350 -0.004 0.000 0.269 819 T C 1.678 176.296 174.700 -0.138 0.000 1.052 819 T CA 1.620 63.638 62.100 -0.136 0.000 1.136 819 T CB -0.265 68.525 68.868 -0.129 0.000 0.864 819 T HN 0.525 nan 8.240 nan 0.000 0.467 820 M N 0.015 119.526 119.600 -0.149 0.000 2.236 820 M HA 0.134 4.612 4.480 -0.004 0.000 0.266 820 M C 2.159 178.358 176.300 -0.168 0.000 1.070 820 M CA 1.250 56.471 55.300 -0.133 0.000 1.137 820 M CB -0.407 32.135 32.600 -0.097 0.000 1.378 820 M HN 0.174 nan 8.290 nan 0.000 0.426 821 I N -0.571 119.851 120.570 -0.246 0.000 2.208 821 I HA -0.325 3.842 4.170 -0.004 0.000 0.245 821 I C 2.719 178.759 176.117 -0.128 0.000 1.097 821 I CA 1.384 62.529 61.300 -0.258 0.000 1.363 821 I CB -0.520 37.229 38.000 -0.419 0.000 1.051 821 I HN 0.328 nan 8.210 nan 0.000 0.413 822 S N 0.418 116.044 115.700 -0.122 0.000 2.370 822 S HA -0.153 4.315 4.470 -0.004 0.000 0.226 822 S C 2.025 176.596 174.600 -0.049 0.000 1.033 822 S CA 1.743 59.904 58.200 -0.065 0.000 1.011 822 S CB -0.240 62.911 63.200 -0.082 0.000 0.852 822 S HN 0.245 nan 8.310 nan 0.000 0.457 823 V N 1.647 121.520 119.914 -0.068 0.000 2.346 823 V HA 0.068 4.185 4.120 -0.004 0.000 0.244 823 V C 1.330 177.396 176.094 -0.046 0.000 1.037 823 V CA 1.376 63.642 62.300 -0.057 0.000 1.029 823 V CB -0.584 31.200 31.823 -0.065 0.000 0.663 823 V HN 0.608 nan 8.190 nan 0.000 0.454 824 N N 0.512 119.178 118.700 -0.057 0.000 2.706 824 N HA 0.178 4.916 4.740 -0.004 0.000 0.240 824 N C -2.219 173.271 175.510 -0.033 0.000 1.039 824 N CA -1.443 51.577 53.050 -0.048 0.000 0.888 824 N CB 2.123 40.571 38.487 -0.065 0.000 1.128 824 N HN 0.116 nan 8.380 nan 0.000 0.512 825 P HA -0.013 nan 4.420 nan 0.000 0.219 825 P C 1.095 178.491 177.300 0.160 0.000 1.150 825 P CA 0.843 64.047 63.100 0.174 0.000 0.814 825 P CB 0.354 32.169 31.700 0.192 0.000 0.787 826 S N -0.130 115.600 115.700 0.050 0.000 2.399 826 S HA -0.091 4.376 4.470 -0.004 0.000 0.231 826 S C 2.209 176.797 174.600 -0.019 0.000 1.022 826 S CA 1.439 59.647 58.200 0.013 0.000 0.983 826 S CB -1.550 61.637 63.200 -0.021 0.000 0.803 826 S HN 0.294 nan 8.310 nan 0.000 0.480 827 G N 0.930 109.692 108.800 -0.064 0.000 2.498 827 G HA2 -0.056 3.902 3.960 -0.004 0.000 0.219 827 G HA3 -0.056 3.902 3.960 -0.004 0.000 0.219 827 G C 1.155 175.962 174.900 -0.154 0.000 1.119 827 G CA 1.114 46.136 45.100 -0.129 0.000 0.766 827 G HN 0.518 nan 8.290 nan 0.000 0.552 828 V N 0.048 119.894 119.914 -0.113 0.000 3.307 828 V HA 0.162 4.280 4.120 -0.004 0.000 0.244 828 V C 2.536 178.672 176.094 0.071 0.000 1.196 828 V CA 0.088 62.316 62.300 -0.121 0.000 1.132 828 V CB -0.287 31.369 31.823 -0.279 0.000 0.875 828 V HN 0.310 nan 8.190 nan 0.000 0.468 829 I N 0.518 121.159 120.570 0.118 0.000 2.145 829 I HA -0.330 3.838 4.170 -0.004 0.000 0.244 829 I C 2.798 179.055 176.117 0.235 0.000 1.075 829 I CA 1.793 63.205 61.300 0.186 0.000 1.332 829 I CB -0.663 37.342 38.000 0.007 0.000 1.033 829 I HN 0.313 nan 8.210 nan 0.000 0.410 830 Q N 0.650 120.523 119.800 0.122 0.000 2.135 830 Q HA -0.190 4.148 4.340 -0.004 0.000 0.204 830 Q C 0.955 177.041 176.000 0.143 0.000 0.981 830 Q CA 1.509 57.373 55.803 0.103 0.000 0.856 830 Q CB -0.217 28.538 28.738 0.029 0.000 0.902 830 Q HN 0.678 nan 8.270 nan 0.000 0.425 831 D N -1.097 119.397 120.400 0.158 0.000 2.501 831 D HA 0.051 4.689 4.640 -0.004 0.000 0.224 831 D C 0.997 177.496 176.300 0.333 0.000 1.202 831 D CA -0.232 53.881 54.000 0.189 0.000 0.829 831 D CB -0.102 40.744 40.800 0.077 0.000 1.023 831 D HN 0.074 nan 8.370 nan 0.000 0.499 832 F N 1.950 122.048 119.950 0.246 0.000 2.126 832 F HA -0.214 4.311 4.527 -0.004 0.000 0.299 832 F C 2.020 178.082 175.800 0.437 0.000 1.096 832 F CA 1.479 59.688 58.000 0.348 0.000 1.255 832 F CB -0.061 39.234 39.000 0.491 0.000 0.997 832 F HN -0.158 nan 8.300 nan 0.000 0.479 833 I N -0.938 119.996 120.570 0.608 0.000 2.151 833 I HA -0.336 3.832 4.170 -0.004 0.000 0.243 833 I C 2.233 178.532 176.117 0.303 0.000 1.080 833 I CA 1.581 63.161 61.300 0.466 0.000 1.339 833 I CB -0.793 37.372 38.000 0.276 0.000 1.039 833 I HN 0.110 nan 8.210 nan 0.000 0.409 834 F N 0.764 120.805 119.950 0.151 0.000 2.134 834 F HA -0.249 4.276 4.527 -0.004 0.000 0.299 834 F C 2.332 178.170 175.800 0.063 0.000 1.097 834 F CA 1.481 59.526 58.000 0.076 0.000 1.264 834 F CB -0.400 38.642 39.000 0.070 0.000 1.001 834 F HN 0.007 nan 8.300 nan 0.000 0.479 835 F N 0.267 120.291 119.950 0.124 0.000 2.069 835 F HA -0.273 4.252 4.527 -0.004 0.000 0.298 835 F C 2.415 178.188 175.800 -0.045 0.000 1.113 835 F CA 1.763 59.777 58.000 0.023 0.000 1.214 835 F CB -1.179 37.773 39.000 -0.081 0.000 0.978 835 F HN 0.001 nan 8.300 nan 0.000 0.474 836 C N 0.555 119.709 119.300 -0.243 0.000 2.425 836 C HA -0.187 4.271 4.460 -0.004 0.000 0.277 836 C C 2.699 177.538 174.990 -0.251 0.000 1.280 836 C CA 1.279 60.126 59.018 -0.286 0.000 1.744 836 C CB -1.237 26.430 27.740 -0.122 0.000 1.989 836 C HN 0.571 nan 8.230 nan 0.000 0.491 837 D N 0.539 120.805 120.400 -0.222 0.000 2.097 837 D HA -0.099 4.539 4.640 -0.004 0.000 0.195 837 D C 2.297 178.406 176.300 -0.318 0.000 0.989 837 D CA 1.664 55.512 54.000 -0.254 0.000 0.827 837 D CB -0.068 40.536 40.800 -0.325 0.000 0.966 837 D HN 0.467 nan 8.370 nan 0.000 0.456 838 A N 0.472 123.016 122.820 -0.460 0.000 1.898 838 A HA -0.100 4.218 4.320 -0.004 0.000 0.216 838 A C 2.575 180.017 177.584 -0.237 0.000 1.181 838 A CA 1.090 52.810 52.037 -0.528 0.000 0.620 838 A CB -0.752 17.923 19.000 -0.543 0.000 0.819 838 A HN 0.174 nan 8.150 nan 0.000 0.442 839 V N 0.004 119.728 119.914 -0.316 0.000 2.287 839 V HA -0.292 3.826 4.120 -0.004 0.000 0.248 839 V C 3.065 179.029 176.094 -0.218 0.000 1.053 839 V CA 2.106 64.219 62.300 -0.312 0.000 1.027 839 V CB -1.233 30.346 31.823 -0.407 0.000 0.646 839 V HN 0.616 nan 8.190 nan 0.000 0.447 840 A N 0.273 122.981 122.820 -0.187 0.000 1.933 840 A HA -0.173 4.145 4.320 -0.004 0.000 0.218 840 A C 2.410 179.974 177.584 -0.032 0.000 1.175 840 A CA 2.376 54.336 52.037 -0.129 0.000 0.628 840 A CB -0.457 18.452 19.000 -0.151 0.000 0.814 840 A HN 0.670 nan 8.150 nan 0.000 0.444 841 S N -2.842 112.911 115.700 0.089 0.000 2.499 841 S HA 0.019 4.487 4.470 -0.004 0.000 0.225 841 S C 1.855 176.538 174.600 0.138 0.000 1.050 841 S CA 0.021 58.315 58.200 0.157 0.000 0.928 841 S CB -0.486 62.897 63.200 0.305 0.000 0.803 841 S HN 0.740 nan 8.310 nan 0.000 0.506 842 W N 1.347 122.553 121.300 -0.157 0.000 2.526 842 W HA 0.324 4.981 4.660 -0.004 0.000 0.294 842 W C 1.959 178.378 176.519 -0.166 0.000 1.181 842 W CA 0.059 57.313 57.345 -0.150 0.000 1.373 842 W CB -0.040 29.325 29.460 -0.158 0.000 1.112 842 W HN 0.276 nan 8.180 nan 0.000 0.545 843 I N -0.130 120.453 120.570 0.022 0.000 2.385 843 I HA -0.098 4.070 4.170 -0.004 0.000 0.244 843 I C 0.275 176.325 176.117 -0.112 0.000 1.089 843 I CA 0.601 61.827 61.300 -0.124 0.000 1.410 843 I CB -0.593 37.191 38.000 -0.360 0.000 1.117 843 I HN -0.122 nan 8.210 nan 0.000 0.429 844 N N 1.291 119.924 118.700 -0.113 0.000 2.537 844 N HA -0.108 4.630 4.740 -0.004 0.000 0.286 844 N C -2.520 172.956 175.510 -0.057 0.000 1.245 844 N CA -0.103 52.903 53.050 -0.073 0.000 0.704 844 N CB -0.647 37.815 38.487 -0.041 0.000 0.910 844 N HN 0.045 nan 8.380 nan 0.000 0.542 845 P HA -0.054 nan 4.420 nan 0.000 0.261 845 P C 0.351 177.686 177.300 0.059 0.000 1.173 845 P CA 0.502 63.615 63.100 0.021 0.000 0.760 845 P CB 0.562 32.299 31.700 0.061 0.000 0.783 846 K N 2.197 122.643 120.400 0.077 0.000 3.290 846 K HA 0.091 4.409 4.320 -0.004 0.000 0.271 846 K C 0.944 177.591 176.600 0.078 0.000 1.071 846 K CA -0.140 56.183 56.287 0.061 0.000 1.609 846 K CB -0.183 32.350 32.500 0.054 0.000 2.191 846 K HN 0.275 nan 8.250 nan 0.000 0.698 847 D N 0.763 121.206 120.400 0.071 0.000 2.178 847 D HA -0.113 4.525 4.640 -0.004 0.000 0.217 847 D C 1.535 177.893 176.300 0.097 0.000 0.992 847 D CA 1.140 55.180 54.000 0.067 0.000 0.895 847 D CB -0.426 40.402 40.800 0.047 0.000 1.031 847 D HN 0.336 nan 8.370 nan 0.000 0.453 848 D N -0.380 120.079 120.400 0.099 0.000 2.224 848 D HA -0.059 4.578 4.640 -0.004 0.000 0.205 848 D C 2.024 178.420 176.300 0.160 0.000 0.965 848 D CA 0.229 54.296 54.000 0.112 0.000 0.852 848 D CB 0.235 41.090 40.800 0.092 0.000 0.947 848 D HN -0.026 nan 8.370 nan 0.000 0.494 849 L N 0.899 122.238 121.223 0.192 0.000 2.044 849 L HA -0.036 4.302 4.340 -0.004 0.000 0.205 849 L C 2.579 179.662 176.870 0.356 0.000 1.075 849 L CA 1.087 56.102 54.840 0.292 0.000 0.747 849 L CB -0.763 41.491 42.059 0.326 0.000 0.903 849 L HN -0.060 nan 8.230 nan 0.000 0.435 850 R N -0.070 120.606 120.500 0.294 0.000 2.096 850 R HA -0.218 4.119 4.340 -0.004 0.000 0.240 850 R C 1.862 178.387 176.300 0.375 0.000 1.139 850 R CA 2.101 58.407 56.100 0.342 0.000 0.952 850 R CB -0.375 30.060 30.300 0.225 0.000 0.854 850 R HN 0.361 nan 8.270 nan 0.000 0.436 851 D N 0.338 120.893 120.400 0.258 0.000 2.092 851 D HA -0.231 4.407 4.640 -0.004 0.000 0.193 851 D C 1.835 178.269 176.300 0.223 0.000 0.994 851 D CA 1.277 55.406 54.000 0.214 0.000 0.828 851 D CB -0.332 40.552 40.800 0.140 0.000 0.963 851 D HN 0.218 nan 8.370 nan 0.000 0.450 852 M N -0.253 119.477 119.600 0.215 0.000 2.080 852 M HA -0.190 4.288 4.480 -0.004 0.000 0.260 852 M C 2.066 178.481 176.300 0.192 0.000 1.068 852 M CA 1.266 56.670 55.300 0.172 0.000 1.109 852 M CB -0.669 32.025 32.600 0.155 0.000 1.342 852 M HN 0.005 nan 8.290 nan 0.000 0.405 853 F N 0.517 120.559 119.950 0.153 0.000 2.102 853 F HA -0.247 4.278 4.527 -0.004 0.000 0.298 853 F C 2.768 178.609 175.800 0.067 0.000 1.105 853 F CA 1.915 59.992 58.000 0.128 0.000 1.239 853 F CB -1.090 38.058 39.000 0.246 0.000 0.991 853 F HN 0.395 nan 8.300 nan 0.000 0.474 854 C N 1.503 121.099 119.300 0.493 0.000 2.398 854 C HA -0.238 4.220 4.460 -0.004 0.000 0.276 854 C C 2.818 178.001 174.990 0.321 0.000 1.222 854 C CA 1.859 61.147 59.018 0.450 0.000 1.746 854 C CB -1.287 26.744 27.740 0.485 0.000 2.039 854 C HN 0.503 nan 8.230 nan 0.000 0.470 855 K N -0.225 120.293 120.400 0.197 0.000 2.147 855 K HA -0.121 4.197 4.320 -0.004 0.000 0.205 855 K C 1.633 178.280 176.600 0.078 0.000 1.049 855 K CA 1.384 57.741 56.287 0.117 0.000 0.936 855 K CB -0.257 32.282 32.500 0.064 0.000 0.722 855 K HN 0.460 nan 8.250 nan 0.000 0.446 856 I N 1.136 121.707 120.570 0.001 0.000 2.353 856 I HA -0.211 3.957 4.170 -0.004 0.000 0.248 856 I C 1.989 178.086 176.117 -0.032 0.000 1.119 856 I CA 1.111 62.359 61.300 -0.087 0.000 1.417 856 I CB -0.085 37.757 38.000 -0.263 0.000 1.078 856 I HN 0.074 nan 8.210 nan 0.000 0.421 857 L N -0.880 120.331 121.223 -0.020 0.000 2.027 857 L HA -0.235 4.103 4.340 -0.004 0.000 0.206 857 L C 2.618 179.466 176.870 -0.037 0.000 1.074 857 L CA 1.289 56.160 54.840 0.052 0.000 0.745 857 L CB -0.875 41.231 42.059 0.078 0.000 0.898 857 L HN 0.345 nan 8.230 nan 0.000 0.433 858 H N -0.525 118.532 119.070 -0.022 0.000 2.353 858 H HA -0.099 4.455 4.556 -0.004 0.000 0.300 858 H C 2.191 177.461 175.328 -0.098 0.000 1.090 858 H CA 1.528 57.529 56.048 -0.078 0.000 1.327 858 H CB -0.138 29.614 29.762 -0.016 0.000 1.383 858 H HN 0.382 nan 8.280 nan 0.000 0.508 859 G N 0.332 109.177 108.800 0.076 0.000 2.422 859 G HA2 -0.266 3.691 3.960 -0.004 0.000 0.218 859 G HA3 -0.266 3.691 3.960 -0.004 0.000 0.218 859 G C 1.616 176.517 174.900 0.002 0.000 1.146 859 G CA 0.440 45.554 45.100 0.023 0.000 0.769 859 G HN 0.339 nan 8.290 nan 0.000 0.547 860 F N 1.477 121.351 119.950 -0.126 0.000 2.146 860 F HA 0.063 4.588 4.527 -0.004 0.000 0.298 860 F C 2.495 178.157 175.800 -0.230 0.000 1.096 860 F CA 1.827 59.749 58.000 -0.130 0.000 1.275 860 F CB -0.089 38.892 39.000 -0.032 0.000 1.008 860 F HN 0.101 nan 8.300 nan 0.000 0.480 861 K N 0.183 120.301 120.400 -0.471 0.000 2.097 861 K HA -0.196 4.121 4.320 -0.004 0.000 0.206 861 K C 1.739 178.098 176.600 -0.402 0.000 1.049 861 K CA 1.643 57.489 56.287 -0.735 0.000 0.933 861 K CB -0.250 31.642 32.500 -1.014 0.000 0.717 861 K HN 0.283 nan 8.250 nan 0.000 0.442 862 N N 1.243 119.791 118.700 -0.254 0.000 2.270 862 N HA -0.157 4.581 4.740 -0.004 0.000 0.181 862 N C 1.773 177.194 175.510 -0.148 0.000 1.016 862 N CA 1.203 54.162 53.050 -0.151 0.000 0.870 862 N CB -0.061 38.377 38.487 -0.081 0.000 0.979 862 N HN 0.519 nan 8.380 nan 0.000 0.431 863 Q N 0.171 119.861 119.800 -0.183 0.000 2.398 863 Q HA 0.086 4.423 4.340 -0.004 0.000 0.204 863 Q C 1.637 177.505 176.000 -0.220 0.000 0.932 863 Q CA 0.619 56.323 55.803 -0.164 0.000 0.916 863 Q CB -0.193 28.475 28.738 -0.117 0.000 1.024 863 Q HN 0.071 nan 8.270 nan 0.000 0.504 864 V N 0.777 120.489 119.914 -0.338 0.000 2.951 864 V HA 0.214 4.332 4.120 -0.004 0.000 0.255 864 V C 0.782 176.771 176.094 -0.175 0.000 1.088 864 V CA 1.524 63.617 62.300 -0.345 0.000 1.109 864 V CB -0.314 31.153 31.823 -0.593 0.000 0.724 864 V HN 0.681 nan 8.190 nan 0.000 0.471 865 G N 0.087 108.809 108.800 -0.130 0.000 2.690 865 G HA2 -0.176 3.782 3.960 -0.004 0.000 0.686 865 G HA3 -0.176 3.782 3.960 -0.004 0.000 0.686 865 G C -0.276 174.635 174.900 0.020 0.000 1.277 865 G CA -0.007 45.062 45.100 -0.052 0.000 0.799 865 G HN 0.247 nan 8.290 nan 0.000 0.613 866 D N 0.411 120.836 120.400 0.042 0.000 2.123 866 D HA -0.010 4.628 4.640 -0.004 0.000 0.200 866 D C 2.435 178.827 176.300 0.154 0.000 0.976 866 D CA 1.642 55.709 54.000 0.112 0.000 0.831 866 D CB 0.087 40.934 40.800 0.078 0.000 0.974 866 D HN 0.646 nan 8.370 nan 0.000 0.469 867 E N 0.877 121.131 120.200 0.090 0.000 2.072 867 E HA -0.116 4.232 4.350 -0.004 0.000 0.191 867 E C 1.567 178.214 176.600 0.079 0.000 0.985 867 E CA 0.627 57.073 56.400 0.076 0.000 0.801 867 E CB -0.652 29.073 29.700 0.041 0.000 0.750 867 E HN 0.251 nan 8.360 nan 0.000 0.452 868 N N 0.747 119.486 118.700 0.066 0.000 2.289 868 N HA -0.137 4.600 4.740 -0.004 0.000 0.184 868 N C 1.450 177.035 175.510 0.126 0.000 1.016 868 N CA 0.844 53.922 53.050 0.046 0.000 0.872 868 N CB -0.385 38.089 38.487 -0.022 0.000 0.973 868 N HN 0.438 nan 8.380 nan 0.000 0.433 869 W N 2.722 124.020 121.300 -0.004 0.000 2.436 869 W HA -0.079 4.578 4.660 -0.004 0.000 0.284 869 W C 2.003 178.627 176.519 0.174 0.000 1.225 869 W CA 0.665 58.064 57.345 0.090 0.000 1.271 869 W CB 0.025 29.498 29.460 0.022 0.000 1.114 869 W HN 0.050 nan 8.180 nan 0.000 0.559 870 R N 0.640 121.172 120.500 0.053 0.000 2.080 870 R HA -0.103 4.235 4.340 -0.004 0.000 0.222 870 R C 2.245 178.507 176.300 -0.063 0.000 1.107 870 R CA 0.536 56.607 56.100 -0.049 0.000 0.980 870 R CB -0.699 29.638 30.300 0.060 0.000 0.879 870 R HN -0.106 nan 8.270 nan 0.000 0.439 871 R N 0.332 120.828 120.500 -0.006 0.000 2.120 871 R HA -0.117 4.221 4.340 -0.004 0.000 0.234 871 R C 1.886 178.174 176.300 -0.020 0.000 1.123 871 R CA 1.100 57.195 56.100 -0.010 0.000 0.975 871 R CB -0.889 29.418 30.300 0.012 0.000 0.866 871 R HN 0.266 nan 8.270 nan 0.000 0.446 872 F N 1.122 120.941 119.950 -0.218 0.000 2.128 872 F HA -0.140 4.385 4.527 -0.004 0.000 0.295 872 F C 2.283 177.823 175.800 -0.435 0.000 1.100 872 F CA 1.746 59.552 58.000 -0.324 0.000 1.260 872 F CB -0.598 38.222 39.000 -0.300 0.000 1.009 872 F HN 0.070 nan 8.300 nan 0.000 0.476 873 S N -0.863 114.551 115.700 -0.476 0.000 2.453 873 S HA -0.139 4.329 4.470 -0.004 0.000 0.231 873 S C 1.554 176.122 174.600 -0.054 0.000 1.005 873 S CA 1.106 59.173 58.200 -0.221 0.000 0.949 873 S CB -0.611 62.269 63.200 -0.534 0.000 0.774 873 S HN 0.358 nan 8.310 nan 0.000 0.510 874 D N 1.613 121.927 120.400 -0.144 0.000 2.264 874 D HA -0.021 4.617 4.640 -0.004 0.000 0.208 874 D C 1.964 178.192 176.300 -0.120 0.000 0.966 874 D CA 0.713 54.661 54.000 -0.088 0.000 0.864 874 D CB -0.175 40.585 40.800 -0.067 0.000 0.933 874 D HN 0.419 nan 8.370 nan 0.000 0.499 875 Q N -0.378 119.265 119.800 -0.261 0.000 2.311 875 Q HA -0.001 4.337 4.340 -0.004 0.000 0.203 875 Q C 0.456 176.273 176.000 -0.306 0.000 0.954 875 Q CA 0.116 55.738 55.803 -0.302 0.000 0.885 875 Q CB -0.204 28.297 28.738 -0.395 0.000 0.963 875 Q HN 0.295 nan 8.270 nan 0.000 0.471 876 F N 2.198 121.993 119.950 -0.258 0.000 2.553 876 F HA 0.072 4.597 4.527 -0.004 0.000 0.356 876 F C -1.429 174.309 175.800 -0.103 0.000 1.142 876 F CA -1.787 56.101 58.000 -0.186 0.000 1.322 876 F CB -0.481 38.396 39.000 -0.205 0.000 1.126 876 F HN -0.063 nan 8.300 nan 0.000 0.599 877 P HA 0.013 nan 4.420 nan 0.000 0.268 877 P C 0.522 177.865 177.300 0.072 0.000 1.208 877 P CA -0.021 63.128 63.100 0.082 0.000 0.777 877 P CB 0.577 32.320 31.700 0.072 0.000 0.875 878 L N 4.058 125.302 121.223 0.036 0.000 2.093 878 L HA -0.049 4.289 4.340 -0.004 0.000 0.208 878 L C -0.733 176.138 176.870 0.001 0.000 1.085 878 L CA 2.008 56.860 54.840 0.019 0.000 0.755 878 L CB -1.816 40.252 42.059 0.015 0.000 0.904 878 L HN 0.477 nan 8.230 nan 0.000 0.435 879 P HA -0.181 nan 4.420 nan 0.000 0.218 879 P C 1.718 178.983 177.300 -0.059 0.000 1.148 879 P CA 0.989 64.072 63.100 -0.027 0.000 0.822 879 P CB 0.111 31.797 31.700 -0.024 0.000 0.784 880 L N -0.228 120.967 121.223 -0.046 0.000 2.131 880 L HA 0.027 4.365 4.340 -0.004 0.000 0.206 880 L C 2.127 178.914 176.870 -0.140 0.000 1.087 880 L CA 1.855 56.642 54.840 -0.089 0.000 0.767 880 L CB -1.143 40.896 42.059 -0.034 0.000 0.917 880 L HN -0.229 nan 8.230 nan 0.000 0.441 881 K N -0.486 119.851 120.400 -0.106 0.000 2.063 881 K HA -0.200 4.118 4.320 -0.004 0.000 0.208 881 K C 1.968 178.548 176.600 -0.034 0.000 1.048 881 K CA 1.907 58.135 56.287 -0.098 0.000 0.928 881 K CB 0.007 32.490 32.500 -0.028 0.000 0.713 881 K HN 0.462 nan 8.250 nan 0.000 0.442 882 E N -0.208 119.980 120.200 -0.020 0.000 2.015 882 E HA -0.185 4.162 4.350 -0.004 0.000 0.191 882 E C 2.191 178.799 176.600 0.012 0.000 0.991 882 E CA 0.818 57.225 56.400 0.011 0.000 0.802 882 E CB -0.078 29.628 29.700 0.010 0.000 0.759 882 E HN 0.196 nan 8.360 nan 0.000 0.447 883 R N 0.891 121.339 120.500 -0.087 0.000 2.103 883 R HA -0.184 4.154 4.340 -0.004 0.000 0.242 883 R C 2.412 178.662 176.300 -0.084 0.000 1.142 883 R CA 1.144 57.080 56.100 -0.274 0.000 0.960 883 R CB -0.286 29.710 30.300 -0.506 0.000 0.858 883 R HN 0.157 nan 8.270 nan 0.000 0.439 884 L N -0.131 121.118 121.223 0.044 0.000 2.046 884 L HA -0.176 4.162 4.340 -0.004 0.000 0.208 884 L C 2.642 179.687 176.870 0.290 0.000 1.077 884 L CA 1.505 56.498 54.840 0.255 0.000 0.747 884 L CB -0.410 41.744 42.059 0.157 0.000 0.896 884 L HN 0.337 nan 8.230 nan 0.000 0.432 885 A N -0.608 122.324 122.820 0.187 0.000 1.897 885 A HA -0.077 4.240 4.320 -0.004 0.000 0.215 885 A C 2.433 180.130 177.584 0.188 0.000 1.181 885 A CA 1.500 53.647 52.037 0.184 0.000 0.620 885 A CB -0.613 18.467 19.000 0.133 0.000 0.821 885 A HN 0.405 nan 8.150 nan 0.000 0.443 886 A N -1.390 121.554 122.820 0.205 0.000 1.897 886 A HA 0.172 4.490 4.320 -0.004 0.000 0.215 886 A C 1.830 179.550 177.584 0.227 0.000 1.181 886 A CA 1.354 53.530 52.037 0.231 0.000 0.620 886 A CB -0.521 18.664 19.000 0.308 0.000 0.821 886 A HN 0.417 nan 8.150 nan 0.000 0.443 887 F N -2.417 117.436 119.950 -0.163 0.000 2.387 887 F HA 0.153 4.678 4.527 -0.004 0.000 0.294 887 F C 1.562 177.019 175.800 -0.570 0.000 1.093 887 F CA 0.499 58.221 58.000 -0.463 0.000 1.420 887 F CB -0.318 38.221 39.000 -0.770 0.000 1.086 887 F HN 0.317 nan 8.300 nan 0.000 0.531 888 Y N -1.667 118.811 120.300 0.297 0.000 2.423 888 Y HA 0.421 4.968 4.550 -0.004 0.000 0.257 888 Y C 1.742 177.826 175.900 0.307 0.000 1.087 888 Y CA 0.025 58.296 58.100 0.285 0.000 1.258 888 Y CB 0.238 38.885 38.460 0.312 0.000 1.237 888 Y HN -0.053 nan 8.280 nan 0.000 0.517 889 G N 1.265 110.275 108.800 0.350 0.000 2.182 889 G HA2 -0.166 3.792 3.960 -0.004 0.000 0.248 889 G HA3 -0.166 3.792 3.960 -0.004 0.000 0.248 889 G C -0.469 174.592 174.900 0.267 0.000 1.042 889 G CA 0.417 45.688 45.100 0.285 0.000 0.775 889 G HN 0.227 nan 8.290 nan 0.000 0.501 890 V N 0.000 120.042 119.914 0.213 0.000 2.409 890 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 890 V CA 0.000 62.375 62.300 0.126 0.000 1.235 890 V CB 0.000 31.629 31.823 -0.324 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556