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 1q6x_1_B DATA FIRST_RESID 18 DATA SEQUENCE WEELDLPKLP VPPLQQTLAT YLQCMQHLVP EEQFRKSQAI VKRFGAPGGL DATA SEQUENCE GETLQEKLLE RQEKTANWVS EYWLNDMYLN NRLALPVNSS PAVIFARQHF DATA SEQUENCE QDTNDQLRFA ACLISGVLSY KTLLDSHSLP TDWAKGQLSG QPLCMKQYYR DATA SEQUENCE LFSSYRLPGH TQDTLVAQKS SIMPEPEHVI VACCNQFFVL DVVINFRRLS DATA SEQUENCE EGDLFTQLRK IVKMASNEDE RLPPIGLLTS DGRSEWAKAR TVLLKDSTNR DATA SEQUENCE DSLDMIERCI CLVCLDGPGT GELSDTHRAL QLLHGGGCSL NGANRWYDKS DATA SEQUENCE LQFVVGRDGT CGVVCEHSPF DGIVLVQCTE HLLKHMMTSN KKLVRADSVS DATA SEQUENCE ELPAPRRLRW KCSPETQGHL ASSAEKLQRI VKNLDFIVYK FDNYGKTFIK DATA SEQUENCE KQKYSPDGFI QVALQLAYYR LYQRLVPTYE SASIRRFQEG RVDNIRSATP DATA SEQUENCE EALAFVQAMT DHKAAMPASE KLQLLQTAMQ AQTEYTVMAI TGMAIDNHLL DATA SEQUENCE ALRELARDLC KEPPEMFMDE TYLMSNRFVL STSQVPTTME MFCCYGPVVP DATA SEQUENCE NGYGACYNPQ PEAITFCISS FHSCKETSSV EFAEAVGASL VDMRDLCSSR 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 18 W HA 0.000 nan 4.660 nan 0.000 0.303 18 W C 0.000 176.465 176.519 -0.090 0.000 1.175 18 W CA 0.000 57.282 57.345 -0.104 0.000 1.226 18 W CB 0.000 29.349 29.460 -0.185 0.000 1.126 19 E N 0.926 121.204 120.200 0.131 0.000 2.630 19 E HA 0.005 4.368 4.350 0.021 0.000 0.218 19 E C 0.578 177.229 176.600 0.084 0.000 0.977 19 E CA 0.182 56.645 56.400 0.105 0.000 1.038 19 E CB 0.410 30.136 29.700 0.043 0.000 1.051 19 E HN 0.205 nan 8.360 nan 0.000 0.487 20 E N -0.256 119.998 120.200 0.090 0.000 3.170 20 E HA -0.264 4.099 4.350 0.021 0.000 0.284 20 E C 1.008 177.637 176.600 0.049 0.000 0.967 20 E CA 0.537 56.980 56.400 0.072 0.000 0.919 20 E CB -2.086 27.661 29.700 0.078 0.000 1.469 20 E HN 0.444 nan 8.360 nan 0.000 0.444 21 L N 0.245 121.490 121.223 0.036 0.000 2.353 21 L HA -0.143 4.210 4.340 0.021 0.000 0.220 21 L C 1.695 178.581 176.870 0.026 0.000 1.133 21 L CA 1.326 56.183 54.840 0.027 0.000 0.798 21 L CB -0.234 41.833 42.059 0.012 0.000 0.922 21 L HN 0.002 nan 8.230 nan 0.000 0.445 22 D N -0.482 119.932 120.400 0.024 0.000 2.360 22 D HA 0.165 4.818 4.640 0.021 0.000 0.210 22 D C 0.913 177.223 176.300 0.017 0.000 1.047 22 D CA 0.125 54.137 54.000 0.020 0.000 0.854 22 D CB 0.521 41.331 40.800 0.016 0.000 0.936 22 D HN 0.214 nan 8.370 nan 0.000 0.514 23 L N 1.887 123.121 121.223 0.018 0.000 2.439 23 L HA 0.168 4.521 4.340 0.021 0.000 0.269 23 L C -2.023 174.871 176.870 0.039 0.000 1.179 23 L CA -1.507 53.333 54.840 -0.000 0.000 0.828 23 L CB 0.060 42.117 42.059 -0.003 0.000 1.106 23 L HN -0.296 nan 8.230 nan 0.000 0.467 24 P HA 0.062 nan 4.420 nan 0.000 0.269 24 P C -0.929 176.541 177.300 0.284 0.000 1.209 24 P CA -0.064 63.131 63.100 0.158 0.000 0.776 24 P CB 0.459 32.263 31.700 0.174 0.000 0.876 25 K N 1.712 122.245 120.400 0.220 0.000 2.185 25 K HA 0.236 4.568 4.320 0.021 0.000 0.271 25 K C 0.041 176.707 176.600 0.109 0.000 1.013 25 K CA -0.885 55.502 56.287 0.167 0.000 0.943 25 K CB 0.354 32.927 32.500 0.121 0.000 0.998 25 K HN 0.330 nan 8.250 nan 0.000 0.468 26 L N 4.605 125.787 121.223 -0.068 0.000 2.559 26 L HA 0.067 4.420 4.340 0.021 0.000 0.274 26 L C -2.374 174.460 176.870 -0.061 0.000 1.205 26 L CA -0.899 53.678 54.840 -0.438 0.000 0.907 26 L CB 0.057 41.795 42.059 -0.535 0.000 1.153 26 L HN 0.419 nan 8.230 nan 0.000 0.490 27 P HA 0.140 nan 4.420 nan 0.000 0.272 27 P C -1.269 176.079 177.300 0.081 0.000 1.230 27 P CA -0.277 62.795 63.100 -0.046 0.000 0.788 27 P CB 0.779 32.399 31.700 -0.133 0.000 0.949 28 V N 4.214 124.063 119.914 -0.109 0.000 2.357 28 V HA 0.315 4.448 4.120 0.021 0.000 0.284 28 V C -2.042 173.848 176.094 -0.339 0.000 1.018 28 V CA -1.715 60.353 62.300 -0.387 0.000 0.841 28 V CB 1.022 32.526 31.823 -0.532 0.000 0.991 28 V HN 0.558 nan 8.190 nan 0.000 0.437 29 P HA 0.309 nan 4.420 nan 0.000 0.272 29 P C -2.706 174.515 177.300 -0.131 0.000 1.230 29 P CA -1.462 61.501 63.100 -0.229 0.000 0.788 29 P CB -0.032 31.592 31.700 -0.126 0.000 0.949 30 P HA 0.033 nan 4.420 nan 0.000 0.271 30 P C 0.713 178.102 177.300 0.148 0.000 1.216 30 P CA -0.200 62.928 63.100 0.046 0.000 0.776 30 P CB 0.393 32.110 31.700 0.028 0.000 0.881 31 L N 3.253 124.557 121.223 0.135 0.000 1.989 31 L HA -0.239 4.114 4.340 0.021 0.000 0.211 31 L C 2.017 178.939 176.870 0.086 0.000 1.071 31 L CA 2.085 56.999 54.840 0.123 0.000 0.749 31 L CB -1.046 41.028 42.059 0.025 0.000 0.890 31 L HN 0.310 nan 8.230 nan 0.000 0.431 32 Q N -0.443 119.391 119.800 0.056 0.000 2.135 32 Q HA -0.291 4.062 4.340 0.021 0.000 0.204 32 Q C 2.172 178.219 176.000 0.079 0.000 0.981 32 Q CA 2.035 57.871 55.803 0.055 0.000 0.856 32 Q CB -0.529 28.229 28.738 0.034 0.000 0.902 32 Q HN 0.754 nan 8.270 nan 0.000 0.425 33 Q N -0.069 119.780 119.800 0.082 0.000 2.079 33 Q HA -0.122 4.231 4.340 0.021 0.000 0.200 33 Q C 1.709 177.781 176.000 0.120 0.000 0.974 33 Q CA 1.697 57.552 55.803 0.086 0.000 0.840 33 Q CB 0.099 28.878 28.738 0.068 0.000 0.898 33 Q HN 0.302 nan 8.270 nan 0.000 0.430 34 T N 1.669 116.317 114.554 0.156 0.000 2.708 34 T HA -0.104 4.258 4.350 0.021 0.000 0.266 34 T C 1.810 176.616 174.700 0.177 0.000 1.037 34 T CA 1.318 63.529 62.100 0.186 0.000 1.146 34 T CB -0.181 68.818 68.868 0.220 0.000 0.865 34 T HN 0.259 nan 8.240 nan 0.000 0.435 35 L N 0.669 121.980 121.223 0.147 0.000 2.083 35 L HA -0.075 4.278 4.340 0.021 0.000 0.209 35 L C 3.062 180.073 176.870 0.234 0.000 1.083 35 L CA 1.268 56.221 54.840 0.189 0.000 0.752 35 L CB -0.779 41.370 42.059 0.149 0.000 0.899 35 L HN 0.246 nan 8.230 nan 0.000 0.433 36 A N -0.242 122.678 122.820 0.168 0.000 1.873 36 A HA -0.175 4.158 4.320 0.021 0.000 0.215 36 A C 2.375 180.062 177.584 0.171 0.000 1.186 36 A CA 2.225 54.352 52.037 0.150 0.000 0.616 36 A CB -0.882 18.182 19.000 0.106 0.000 0.823 36 A HN 0.346 nan 8.150 nan 0.000 0.442 37 T N -1.351 113.308 114.554 0.175 0.000 2.746 37 T HA -0.178 4.185 4.350 0.021 0.000 0.267 37 T C 1.759 176.608 174.700 0.249 0.000 1.039 37 T CA 1.697 63.906 62.100 0.181 0.000 1.142 37 T CB -0.454 68.502 68.868 0.146 0.000 0.866 37 T HN 0.573 nan 8.240 nan 0.000 0.444 38 Y N 1.962 122.355 120.300 0.154 0.000 2.081 38 Y HA -0.165 4.397 4.550 0.021 0.000 0.280 38 Y C 1.992 177.999 175.900 0.178 0.000 1.163 38 Y CA 1.225 59.425 58.100 0.167 0.000 1.135 38 Y CB -0.716 37.832 38.460 0.145 0.000 0.970 38 Y HN 0.142 nan 8.280 nan 0.000 0.498 39 L N 0.139 121.393 121.223 0.051 0.000 2.046 39 L HA -0.264 4.088 4.340 0.021 0.000 0.208 39 L C 2.751 179.715 176.870 0.156 0.000 1.077 39 L CA 1.948 56.825 54.840 0.061 0.000 0.747 39 L CB -0.716 41.444 42.059 0.169 0.000 0.896 39 L HN 0.358 nan 8.230 nan 0.000 0.432 40 Q N -0.539 119.346 119.800 0.142 0.000 2.084 40 Q HA -0.230 4.123 4.340 0.021 0.000 0.202 40 Q C 2.471 178.538 176.000 0.111 0.000 0.978 40 Q CA 1.971 57.850 55.803 0.127 0.000 0.844 40 Q CB -0.075 28.744 28.738 0.134 0.000 0.898 40 Q HN 0.573 nan 8.270 nan 0.000 0.426 41 C N 0.239 119.604 119.300 0.108 0.000 2.425 41 C HA -0.088 4.385 4.460 0.021 0.000 0.277 41 C C 2.505 177.430 174.990 -0.108 0.000 1.280 41 C CA 0.529 59.606 59.018 0.098 0.000 1.744 41 C CB -0.567 27.262 27.740 0.148 0.000 1.989 41 C HN 0.604 nan 8.230 nan 0.000 0.491 42 M N -0.197 119.299 119.600 -0.173 0.000 2.486 42 M HA -0.010 4.482 4.480 0.021 0.000 0.264 42 M C 2.043 178.134 176.300 -0.348 0.000 1.125 42 M CA 0.774 55.915 55.300 -0.265 0.000 1.144 42 M CB -1.575 30.875 32.600 -0.249 0.000 1.353 42 M HN 0.514 nan 8.290 nan 0.000 0.466 43 Q N 1.201 120.748 119.800 -0.422 0.000 2.082 43 Q HA -0.240 4.113 4.340 0.021 0.000 0.211 43 Q C 1.723 177.419 176.000 -0.508 0.000 1.002 43 Q CA 2.331 57.584 55.803 -0.916 0.000 0.868 43 Q CB -0.309 27.880 28.738 -0.916 0.000 0.931 43 Q HN 0.689 nan 8.270 nan 0.000 0.414 44 H N -1.075 117.827 119.070 -0.279 0.000 2.553 44 H HA 0.055 4.624 4.556 0.021 0.000 0.269 44 H C 1.156 176.427 175.328 -0.095 0.000 1.011 44 H CA 0.493 56.444 56.048 -0.162 0.000 1.150 44 H CB 0.048 29.747 29.762 -0.104 0.000 1.339 44 H HN 0.371 nan 8.280 nan 0.000 0.604 45 L N 0.885 121.872 121.223 -0.394 0.000 2.731 45 L HA 0.188 4.541 4.340 0.021 0.000 0.240 45 L C 0.394 177.189 176.870 -0.125 0.000 1.120 45 L CA -0.213 54.478 54.840 -0.247 0.000 0.913 45 L CB 1.049 42.915 42.059 -0.321 0.000 1.213 45 L HN 0.123 nan 8.230 nan 0.000 0.515 46 V N -4.465 115.381 119.914 -0.113 0.000 3.074 46 V HA 0.672 4.805 4.120 0.021 0.000 0.314 46 V C -2.654 173.433 176.094 -0.011 0.000 1.117 46 V CA -2.427 59.851 62.300 -0.037 0.000 1.014 46 V CB 1.213 33.041 31.823 0.009 0.000 1.057 46 V HN -0.143 nan 8.190 nan 0.000 0.438 47 P HA 0.142 nan 4.420 nan 0.000 0.266 47 P C 0.835 178.176 177.300 0.067 0.000 1.195 47 P CA 0.182 63.303 63.100 0.034 0.000 0.768 47 P CB 0.579 32.300 31.700 0.035 0.000 0.838 48 E N 2.044 122.280 120.200 0.060 0.000 2.070 48 E HA -0.323 4.040 4.350 0.021 0.000 0.197 48 E C 1.515 178.195 176.600 0.133 0.000 1.004 48 E CA 1.296 57.755 56.400 0.099 0.000 0.805 48 E CB -0.001 29.739 29.700 0.067 0.000 0.744 48 E HN 0.430 nan 8.360 nan 0.000 0.451 49 E N 0.692 120.943 120.200 0.084 0.000 2.038 49 E HA -0.266 4.097 4.350 0.021 0.000 0.195 49 E C 2.048 178.689 176.600 0.069 0.000 1.000 49 E CA 1.524 57.963 56.400 0.066 0.000 0.803 49 E CB -0.275 29.450 29.700 0.042 0.000 0.750 49 E HN 0.413 nan 8.360 nan 0.000 0.448 50 Q N -0.698 119.147 119.800 0.076 0.000 2.135 50 Q HA -0.191 4.162 4.340 0.021 0.000 0.204 50 Q C 2.221 178.278 176.000 0.095 0.000 0.981 50 Q CA 1.513 57.358 55.803 0.068 0.000 0.856 50 Q CB -0.332 28.444 28.738 0.064 0.000 0.902 50 Q HN 0.235 nan 8.270 nan 0.000 0.425 51 F N 1.294 121.233 119.950 -0.018 0.000 2.126 51 F HA -0.162 4.377 4.527 0.021 0.000 0.299 51 F C 2.121 177.913 175.800 -0.014 0.000 1.096 51 F CA 1.641 59.626 58.000 -0.026 0.000 1.255 51 F CB -0.146 38.838 39.000 -0.027 0.000 0.997 51 F HN 0.006 nan 8.300 nan 0.000 0.479 52 R N 0.318 120.797 120.500 -0.034 0.000 2.105 52 R HA -0.176 4.177 4.340 0.021 0.000 0.239 52 R C 2.195 178.405 176.300 -0.150 0.000 1.135 52 R CA 1.787 57.815 56.100 -0.121 0.000 0.967 52 R CB -0.433 29.865 30.300 -0.003 0.000 0.861 52 R HN 0.332 nan 8.270 nan 0.000 0.442 53 K N 0.053 120.397 120.400 -0.093 0.000 2.097 53 K HA -0.017 4.315 4.320 0.021 0.000 0.205 53 K C 2.242 178.774 176.600 -0.112 0.000 1.050 53 K CA 1.327 57.567 56.287 -0.078 0.000 0.938 53 K CB 0.008 32.485 32.500 -0.038 0.000 0.718 53 K HN 0.015 nan 8.250 nan 0.000 0.442 54 S N 1.495 117.106 115.700 -0.148 0.000 2.382 54 S HA -0.169 4.313 4.470 0.021 0.000 0.228 54 S C 1.888 176.364 174.600 -0.206 0.000 1.027 54 S CA 1.173 59.286 58.200 -0.145 0.000 0.991 54 S CB -0.139 62.987 63.200 -0.123 0.000 0.823 54 S HN 0.317 nan 8.310 nan 0.000 0.469 55 Q N 0.670 120.250 119.800 -0.367 0.000 2.084 55 Q HA -0.079 4.274 4.340 0.021 0.000 0.202 55 Q C 2.492 178.401 176.000 -0.151 0.000 0.978 55 Q CA 1.461 57.076 55.803 -0.314 0.000 0.844 55 Q CB -0.338 28.162 28.738 -0.396 0.000 0.898 55 Q HN 0.614 nan 8.270 nan 0.000 0.426 56 A N 0.734 123.477 122.820 -0.128 0.000 1.897 56 A HA -0.129 4.204 4.320 0.021 0.000 0.215 56 A C 2.015 179.566 177.584 -0.055 0.000 1.181 56 A CA 0.901 52.893 52.037 -0.075 0.000 0.620 56 A CB -0.507 18.455 19.000 -0.063 0.000 0.821 56 A HN 0.279 nan 8.150 nan 0.000 0.443 57 I N -0.368 120.163 120.570 -0.065 0.000 2.179 57 I HA -0.216 3.966 4.170 0.021 0.000 0.242 57 I C 2.318 178.418 176.117 -0.029 0.000 1.088 57 I CA 1.175 62.441 61.300 -0.057 0.000 1.357 57 I CB -0.337 37.614 38.000 -0.082 0.000 1.051 57 I HN 0.145 nan 8.210 nan 0.000 0.409 58 V N 0.959 120.860 119.914 -0.022 0.000 2.358 58 V HA -0.293 3.840 4.120 0.021 0.000 0.246 58 V C 2.523 178.659 176.094 0.070 0.000 1.047 58 V CA 1.893 64.218 62.300 0.043 0.000 1.035 58 V CB -0.685 31.181 31.823 0.071 0.000 0.658 58 V HN 0.413 nan 8.190 nan 0.000 0.452 59 K N 0.127 120.535 120.400 0.014 0.000 2.032 59 K HA -0.206 4.126 4.320 0.021 0.000 0.209 59 K C 2.407 179.007 176.600 0.001 0.000 1.048 59 K CA 1.610 57.898 56.287 0.003 0.000 0.927 59 K CB -0.141 32.347 32.500 -0.019 0.000 0.712 59 K HN 0.338 nan 8.250 nan 0.000 0.441 60 R N -0.559 119.943 120.500 0.004 0.000 2.081 60 R HA -0.141 4.212 4.340 0.021 0.000 0.235 60 R C 2.316 178.619 176.300 0.006 0.000 1.131 60 R CA 1.602 57.700 56.100 -0.003 0.000 0.960 60 R CB -0.446 29.852 30.300 -0.003 0.000 0.856 60 R HN 0.251 nan 8.270 nan 0.000 0.436 61 F N 0.641 120.521 119.950 -0.117 0.000 2.134 61 F HA -0.059 4.481 4.527 0.021 0.000 0.299 61 F C 1.951 177.682 175.800 -0.115 0.000 1.097 61 F CA 1.754 59.666 58.000 -0.147 0.000 1.264 61 F CB -0.345 38.520 39.000 -0.224 0.000 1.001 61 F HN -0.021 nan 8.300 nan 0.000 0.479 62 G N -0.310 108.420 108.800 -0.116 0.000 3.042 62 G HA2 0.345 4.317 3.960 0.021 0.000 0.212 62 G HA3 0.345 4.317 3.960 0.021 0.000 0.212 62 G C 0.521 175.338 174.900 -0.139 0.000 1.166 62 G CA 0.245 45.238 45.100 -0.179 0.000 0.767 62 G HN 0.573 nan 8.290 nan 0.000 0.546 63 A N 0.891 123.642 122.820 -0.116 0.000 2.466 63 A HA 0.512 4.845 4.320 0.021 0.000 0.238 63 A C -2.097 175.427 177.584 -0.100 0.000 1.074 63 A CA -0.825 51.161 52.037 -0.085 0.000 0.774 63 A CB 0.033 18.993 19.000 -0.066 0.000 1.015 63 A HN 0.142 nan 8.150 nan 0.000 0.498 64 P HA 0.209 nan 4.420 nan 0.000 0.260 64 P C 0.925 178.181 177.300 -0.073 0.000 1.185 64 P CA 2.047 65.106 63.100 -0.068 0.000 0.763 64 P CB 0.364 32.035 31.700 -0.048 0.000 0.776 65 G N 2.335 111.085 108.800 -0.082 0.000 2.148 65 G HA2 -0.171 3.802 3.960 0.021 0.000 0.254 65 G HA3 -0.171 3.802 3.960 0.021 0.000 0.254 65 G C 0.641 175.483 174.900 -0.097 0.000 0.981 65 G CA -0.122 44.931 45.100 -0.078 0.000 0.670 65 G HN 0.856 nan 8.290 nan 0.000 0.528 66 G N -1.243 107.476 108.800 -0.135 0.000 2.525 66 G HA2 0.584 4.556 3.960 0.021 0.000 0.287 66 G HA3 0.584 4.556 3.960 0.021 0.000 0.287 66 G C 1.193 175.962 174.900 -0.219 0.000 1.350 66 G CA 0.077 45.077 45.100 -0.166 0.000 1.039 66 G HN 0.819 nan 8.290 nan 0.000 0.513 67 L N 0.529 121.601 121.223 -0.251 0.000 2.017 67 L HA 0.061 4.413 4.340 0.021 0.000 0.208 67 L C 2.831 179.427 176.870 -0.457 0.000 1.073 67 L CA 2.918 57.611 54.840 -0.245 0.000 0.745 67 L CB -1.005 40.999 42.059 -0.093 0.000 0.894 67 L HN 0.584 nan 8.230 nan 0.000 0.432 68 G N -1.029 107.145 108.800 -1.044 0.000 2.491 68 G HA2 -0.302 3.671 3.960 0.021 0.000 0.218 68 G HA3 -0.302 3.671 3.960 0.021 0.000 0.218 68 G C 1.435 176.067 174.900 -0.447 0.000 1.180 68 G CA 0.982 45.388 45.100 -1.157 0.000 0.774 68 G HN 0.571 nan 8.290 nan 0.000 0.562 69 E N -0.260 119.741 120.200 -0.332 0.000 2.106 69 E HA -0.081 4.282 4.350 0.021 0.000 0.192 69 E C 2.772 179.294 176.600 -0.130 0.000 0.984 69 E CA 1.276 57.567 56.400 -0.181 0.000 0.806 69 E CB -0.217 29.396 29.700 -0.145 0.000 0.750 69 E HN 0.362 nan 8.360 nan 0.000 0.458 70 T N 1.824 116.297 114.554 -0.135 0.000 2.708 70 T HA -0.117 4.246 4.350 0.021 0.000 0.266 70 T C 2.011 176.676 174.700 -0.058 0.000 1.037 70 T CA 0.846 62.897 62.100 -0.083 0.000 1.146 70 T CB -0.199 68.626 68.868 -0.072 0.000 0.865 70 T HN 0.089 nan 8.240 nan 0.000 0.435 71 L N 0.751 121.937 121.223 -0.061 0.000 2.046 71 L HA -0.134 4.219 4.340 0.021 0.000 0.208 71 L C 2.871 179.733 176.870 -0.014 0.000 1.077 71 L CA 1.274 56.109 54.840 -0.009 0.000 0.747 71 L CB -0.561 41.528 42.059 0.051 0.000 0.896 71 L HN 0.252 nan 8.230 nan 0.000 0.432 72 Q N 0.615 120.392 119.800 -0.038 0.000 2.135 72 Q HA -0.273 4.079 4.340 0.021 0.000 0.204 72 Q C 2.036 178.009 176.000 -0.045 0.000 0.981 72 Q CA 1.908 57.696 55.803 -0.024 0.000 0.856 72 Q CB -0.075 28.647 28.738 -0.026 0.000 0.902 72 Q HN 0.457 nan 8.270 nan 0.000 0.425 73 E N -0.726 119.446 120.200 -0.046 0.000 2.106 73 E HA -0.198 4.165 4.350 0.021 0.000 0.192 73 E C 1.490 178.070 176.600 -0.033 0.000 0.984 73 E CA 0.951 57.326 56.400 -0.042 0.000 0.806 73 E CB 0.113 29.790 29.700 -0.038 0.000 0.750 73 E HN 0.127 nan 8.360 nan 0.000 0.458 74 K N 0.472 120.859 120.400 -0.021 0.000 2.097 74 K HA -0.121 4.212 4.320 0.021 0.000 0.205 74 K C 2.142 178.739 176.600 -0.006 0.000 1.050 74 K CA 0.435 56.721 56.287 -0.002 0.000 0.938 74 K CB -0.407 32.103 32.500 0.017 0.000 0.718 74 K HN 0.202 nan 8.250 nan 0.000 0.442 75 L N 1.416 122.619 121.223 -0.034 0.000 2.046 75 L HA -0.091 4.262 4.340 0.021 0.000 0.208 75 L C 2.040 178.816 176.870 -0.156 0.000 1.077 75 L CA 1.430 56.211 54.840 -0.098 0.000 0.747 75 L CB -0.590 41.368 42.059 -0.169 0.000 0.896 75 L HN 0.067 nan 8.230 nan 0.000 0.432 76 L N -0.863 120.279 121.223 -0.135 0.000 2.083 76 L HA -0.230 4.123 4.340 0.021 0.000 0.209 76 L C 2.498 179.332 176.870 -0.060 0.000 1.083 76 L CA 1.451 56.219 54.840 -0.120 0.000 0.752 76 L CB -0.554 41.452 42.059 -0.088 0.000 0.899 76 L HN 0.404 nan 8.230 nan 0.000 0.433 77 E N -0.194 119.987 120.200 -0.033 0.000 2.077 77 E HA -0.250 4.112 4.350 0.021 0.000 0.193 77 E C 2.307 178.915 176.600 0.014 0.000 0.989 77 E CA 0.912 57.309 56.400 -0.005 0.000 0.800 77 E CB 0.003 29.705 29.700 0.003 0.000 0.746 77 E HN 0.296 nan 8.360 nan 0.000 0.452 78 R N 0.920 121.434 120.500 0.022 0.000 2.081 78 R HA -0.192 4.161 4.340 0.021 0.000 0.235 78 R C 2.393 178.748 176.300 0.092 0.000 1.131 78 R CA 1.634 57.772 56.100 0.065 0.000 0.960 78 R CB -0.085 30.277 30.300 0.104 0.000 0.856 78 R HN 0.168 nan 8.270 nan 0.000 0.436 79 Q N 0.371 120.206 119.800 0.058 0.000 2.170 79 Q HA -0.197 4.156 4.340 0.021 0.000 0.203 79 Q C 1.253 177.311 176.000 0.097 0.000 0.976 79 Q CA 1.751 57.629 55.803 0.125 0.000 0.858 79 Q CB 0.138 28.886 28.738 0.017 0.000 0.907 79 Q HN 0.497 nan 8.270 nan 0.000 0.433 80 E N -0.152 120.078 120.200 0.050 0.000 2.216 80 E HA -0.092 4.271 4.350 0.021 0.000 0.192 80 E C 1.632 178.259 176.600 0.044 0.000 0.988 80 E CA 0.731 57.156 56.400 0.041 0.000 0.834 80 E CB 0.260 29.973 29.700 0.022 0.000 0.772 80 E HN 0.271 nan 8.360 nan 0.000 0.479 81 K N 0.387 120.815 120.400 0.047 0.000 2.361 81 K HA 0.021 4.354 4.320 0.021 0.000 0.196 81 K C 0.827 177.454 176.600 0.045 0.000 1.039 81 K CA 0.733 57.045 56.287 0.041 0.000 1.001 81 K CB 0.545 33.068 32.500 0.037 0.000 0.795 81 K HN 0.097 nan 8.250 nan 0.000 0.495 82 T N -3.747 110.844 114.554 0.061 0.000 2.926 82 T HA 0.556 4.919 4.350 0.021 0.000 0.289 82 T C 0.947 175.682 174.700 0.059 0.000 1.054 82 T CA -0.686 61.446 62.100 0.054 0.000 1.015 82 T CB 1.985 70.886 68.868 0.054 0.000 1.167 82 T HN -0.069 nan 8.240 nan 0.000 0.526 83 A N 0.721 123.564 122.820 0.038 0.000 1.970 83 A HA 0.216 4.549 4.320 0.021 0.000 0.216 83 A C 1.090 178.684 177.584 0.018 0.000 1.170 83 A CA 0.669 52.727 52.037 0.035 0.000 0.645 83 A CB -0.517 18.499 19.000 0.027 0.000 0.816 83 A HN 0.836 nan 8.150 nan 0.000 0.447 84 N N -0.483 118.204 118.700 -0.020 0.000 2.549 84 N HA 0.083 4.835 4.740 0.021 0.000 0.290 84 N C 0.267 175.695 175.510 -0.136 0.000 1.122 84 N CA -0.549 52.415 53.050 -0.143 0.000 0.885 84 N CB 0.553 38.929 38.487 -0.185 0.000 1.455 84 N HN 0.452 nan 8.380 nan 0.000 0.521 85 W N 2.991 124.264 121.300 -0.044 0.000 2.611 85 W HA 0.084 4.755 4.660 0.019 0.000 0.251 85 W C 0.314 176.790 176.519 -0.072 0.000 1.265 85 W CA 0.078 57.390 57.345 -0.055 0.000 1.295 85 W CB -0.484 28.971 29.460 -0.009 0.000 1.129 85 W HN 0.283 nan 8.180 nan 0.000 0.630 86 V N 0.765 120.445 119.914 -0.391 0.000 3.621 86 V HA -0.096 4.036 4.120 0.021 0.000 0.263 86 V C 2.283 178.336 176.094 -0.067 0.000 1.272 86 V CA 1.289 63.477 62.300 -0.186 0.000 1.080 86 V CB 0.145 31.672 31.823 -0.493 0.000 0.816 86 V HN 0.023 nan 8.190 nan 0.000 0.451 87 S N 0.618 116.239 115.700 -0.131 0.000 2.414 87 S HA -0.375 4.107 4.470 0.021 0.000 0.238 87 S C 1.811 176.463 174.600 0.087 0.000 1.055 87 S CA 2.615 60.813 58.200 -0.003 0.000 1.174 87 S CB -0.430 62.750 63.200 -0.033 0.000 1.087 87 S HN 0.835 nan 8.310 nan 0.000 0.428 88 E N 0.038 120.217 120.200 -0.034 0.000 2.058 88 E HA -0.207 4.156 4.350 0.021 0.000 0.194 88 E C 1.908 178.565 176.600 0.095 0.000 0.997 88 E CA 1.491 57.881 56.400 -0.017 0.000 0.801 88 E CB -0.325 29.299 29.700 -0.127 0.000 0.746 88 E HN 0.762 nan 8.360 nan 0.000 0.450 89 Y N -1.348 119.024 120.300 0.120 0.000 2.145 89 Y HA -0.231 4.332 4.550 0.021 0.000 0.286 89 Y C 2.264 178.224 175.900 0.100 0.000 1.145 89 Y CA 0.671 58.832 58.100 0.102 0.000 1.148 89 Y CB -0.417 38.125 38.460 0.138 0.000 0.981 89 Y HN 0.322 nan 8.280 nan 0.000 0.507 90 W N 0.683 122.064 121.300 0.134 0.000 2.379 90 W HA -0.209 4.466 4.660 0.024 0.000 0.307 90 W C 2.180 178.700 176.519 0.001 0.000 1.200 90 W CA 1.197 58.567 57.345 0.041 0.000 1.297 90 W CB -0.492 28.970 29.460 0.002 0.000 1.140 90 W HN 0.039 nan 8.180 nan 0.000 0.507 91 L N 1.698 123.048 121.223 0.213 0.000 2.079 91 L HA -0.239 4.114 4.340 0.021 0.000 0.210 91 L C 1.858 178.659 176.870 -0.116 0.000 1.081 91 L CA 2.154 57.023 54.840 0.048 0.000 0.752 91 L CB -1.114 41.066 42.059 0.203 0.000 0.896 91 L HN -0.022 nan 8.230 nan 0.000 0.433 92 N N -0.532 118.133 118.700 -0.057 0.000 2.207 92 N HA -0.155 4.598 4.740 0.021 0.000 0.182 92 N C 1.564 176.973 175.510 -0.168 0.000 1.020 92 N CA 1.464 54.470 53.050 -0.074 0.000 0.858 92 N CB -0.267 38.220 38.487 -0.000 0.000 0.991 92 N HN 0.485 nan 8.380 nan 0.000 0.427 93 D N -0.088 120.189 120.400 -0.204 0.000 2.144 93 D HA -0.065 4.588 4.640 0.021 0.000 0.200 93 D C 1.854 177.890 176.300 -0.440 0.000 0.978 93 D CA 0.743 54.591 54.000 -0.254 0.000 0.833 93 D CB 0.148 40.838 40.800 -0.183 0.000 0.961 93 D HN -0.006 nan 8.370 nan 0.000 0.470 94 M N -1.504 117.636 119.600 -0.766 0.000 2.287 94 M HA 0.087 4.580 4.480 0.021 0.000 0.266 94 M C 0.539 176.131 176.300 -1.180 0.000 1.079 94 M CA 1.426 56.027 55.300 -1.166 0.000 1.146 94 M CB 0.076 31.479 32.600 -1.995 0.000 1.374 94 M HN 0.187 nan 8.290 nan 0.000 0.435 95 Y N -2.434 117.601 120.300 -0.443 0.000 3.011 95 Y HA 0.237 4.799 4.550 0.021 0.000 0.231 95 Y C 1.667 177.444 175.900 -0.204 0.000 0.983 95 Y CA -0.266 57.650 58.100 -0.306 0.000 1.429 95 Y CB -0.096 38.187 38.460 -0.294 0.000 1.491 95 Y HN -0.187 nan 8.280 nan 0.000 0.444 96 L N 0.944 122.165 121.223 -0.003 0.000 2.189 96 L HA -0.249 4.103 4.340 0.021 0.000 0.214 96 L C 1.081 177.915 176.870 -0.059 0.000 1.097 96 L CA 1.364 56.188 54.840 -0.027 0.000 0.764 96 L CB -0.514 41.534 42.059 -0.018 0.000 0.900 96 L HN 0.386 nan 8.230 nan 0.000 0.436 97 N N -0.910 117.737 118.700 -0.088 0.000 2.424 97 N HA -0.042 4.711 4.740 0.021 0.000 0.178 97 N C 0.699 176.154 175.510 -0.092 0.000 1.060 97 N CA 0.200 53.195 53.050 -0.092 0.000 0.901 97 N CB -0.363 38.063 38.487 -0.101 0.000 0.979 97 N HN 0.195 nan 8.380 nan 0.000 0.451 98 N N 1.869 120.510 118.700 -0.098 0.000 2.447 98 N HA -0.033 4.720 4.740 0.021 0.000 0.263 98 N C 0.673 176.142 175.510 -0.068 0.000 1.226 98 N CA 0.142 53.138 53.050 -0.090 0.000 0.906 98 N CB 0.606 39.040 38.487 -0.088 0.000 1.060 98 N HN -0.061 nan 8.380 nan 0.000 0.468 99 R N 2.072 122.532 120.500 -0.068 0.000 2.254 99 R HA 0.193 4.546 4.340 0.021 0.000 0.195 99 R C -0.045 176.219 176.300 -0.060 0.000 0.957 99 R CA -0.233 55.832 56.100 -0.058 0.000 1.024 99 R CB -0.572 29.694 30.300 -0.057 0.000 0.952 99 R HN 0.419 nan 8.270 nan 0.000 0.484 100 L N 1.109 122.292 121.223 -0.066 0.000 2.483 100 L HA 0.133 4.485 4.340 0.021 0.000 0.275 100 L C 0.545 177.366 176.870 -0.082 0.000 1.220 100 L CA -0.520 54.276 54.840 -0.074 0.000 0.833 100 L CB -0.027 41.994 42.059 -0.064 0.000 1.102 100 L HN 0.146 nan 8.230 nan 0.000 0.490 101 A N 4.108 126.864 122.820 -0.107 0.000 2.498 101 A HA 0.165 4.497 4.320 0.021 0.000 0.239 101 A C 1.382 178.864 177.584 -0.169 0.000 1.068 101 A CA -0.132 51.813 52.037 -0.153 0.000 0.766 101 A CB -0.095 18.791 19.000 -0.190 0.000 1.003 101 A HN 0.839 nan 8.150 nan 0.000 0.497 102 L N 1.937 123.029 121.223 -0.219 0.000 2.042 102 L HA -0.052 4.301 4.340 0.021 0.000 0.210 102 L C -1.350 175.373 176.870 -0.246 0.000 1.076 102 L CA 0.722 55.441 54.840 -0.202 0.000 0.749 102 L CB -1.591 40.360 42.059 -0.180 0.000 0.893 102 L HN 0.425 nan 8.230 nan 0.000 0.432 103 P HA 0.031 nan 4.420 nan 0.000 0.264 103 P C 0.736 177.970 177.300 -0.110 0.000 1.193 103 P CA 0.780 63.656 63.100 -0.373 0.000 0.763 103 P CB 1.068 32.438 31.700 -0.549 0.000 0.810 104 V N 1.643 121.550 119.914 -0.013 0.000 0.489 104 V HA -0.428 3.705 4.120 0.021 0.000 0.092 104 V C 2.050 178.201 176.094 0.094 0.000 2.367 104 V CA 2.475 64.811 62.300 0.060 0.000 3.630 104 V CB -1.600 30.297 31.823 0.123 0.000 0.914 104 V HN 0.629 nan 8.190 nan 0.000 0.957 105 N N -0.935 117.808 118.700 0.071 0.000 2.188 105 N HA -0.069 4.684 4.740 0.021 0.000 0.184 105 N C 1.762 177.301 175.510 0.049 0.000 1.018 105 N CA 2.022 55.122 53.050 0.084 0.000 0.858 105 N CB 0.155 38.666 38.487 0.040 0.000 0.989 105 N HN 0.738 nan 8.380 nan 0.000 0.426 106 S N -0.819 114.895 115.700 0.024 0.000 3.056 106 S HA 0.158 4.640 4.470 0.021 0.000 0.255 106 S C 0.175 174.803 174.600 0.047 0.000 1.079 106 S CA -0.402 57.815 58.200 0.030 0.000 0.810 106 S CB -0.014 63.191 63.200 0.008 0.000 0.810 106 S HN 0.035 nan 8.310 nan 0.000 0.477 107 S N 4.808 120.525 115.700 0.028 0.000 2.430 107 S HA 0.381 4.863 4.470 0.021 0.000 0.282 107 S C -2.495 172.154 174.600 0.081 0.000 1.186 107 S CA -0.791 57.437 58.200 0.047 0.000 1.060 107 S CB 1.027 64.276 63.200 0.082 0.000 0.966 107 S HN 0.518 nan 8.310 nan 0.000 0.501 108 P HA 0.505 nan 4.420 nan 0.000 0.279 108 P C -1.160 176.166 177.300 0.043 0.000 1.252 108 P CA -0.634 62.552 63.100 0.144 0.000 0.811 108 P CB 1.058 32.887 31.700 0.214 0.000 1.035 109 A N 1.469 124.301 122.820 0.020 0.000 2.401 109 A HA 0.613 4.945 4.320 0.021 0.000 0.310 109 A C -1.013 176.520 177.584 -0.085 0.000 1.075 109 A CA -0.708 51.288 52.037 -0.069 0.000 0.746 109 A CB 1.457 20.382 19.000 -0.125 0.000 1.277 109 A HN 0.293 nan 8.150 nan 0.000 0.425 110 V N 2.587 122.412 119.914 -0.147 0.000 2.384 110 V HA 0.376 4.509 4.120 0.021 0.000 0.287 110 V C -0.910 174.976 176.094 -0.347 0.000 1.020 110 V CA -0.253 61.953 62.300 -0.156 0.000 0.850 110 V CB 1.117 32.934 31.823 -0.009 0.000 0.987 110 V HN 0.675 nan 8.190 nan 0.000 0.436 111 I N 6.019 126.281 120.570 -0.514 0.000 2.336 111 I HA 0.475 4.657 4.170 0.021 0.000 0.292 111 I C -0.039 175.911 176.117 -0.279 0.000 0.991 111 I CA -0.015 60.929 61.300 -0.593 0.000 1.227 111 I CB 0.801 38.261 38.000 -0.901 0.000 1.366 111 I HN 0.290 nan 8.210 nan 0.000 0.466 112 F N 3.617 123.456 119.950 -0.185 0.000 2.348 112 F HA 0.676 5.215 4.527 0.021 0.000 0.308 112 F C 1.005 176.756 175.800 -0.082 0.000 1.175 112 F CA -1.626 56.324 58.000 -0.083 0.000 1.080 112 F CB 0.036 39.046 39.000 0.017 0.000 1.341 112 F HN 0.462 nan 8.300 nan 0.000 0.518 113 A N 1.052 123.981 122.820 0.181 0.000 2.425 113 A HA 0.253 4.586 4.320 0.021 0.000 0.242 113 A C 0.636 178.202 177.584 -0.029 0.000 1.077 113 A CA -0.512 51.568 52.037 0.072 0.000 0.781 113 A CB 0.048 19.081 19.000 0.055 0.000 1.020 113 A HN 0.627 nan 8.150 nan 0.000 0.494 114 R N 1.277 121.721 120.500 -0.094 0.000 2.484 114 R HA 0.035 4.388 4.340 0.021 0.000 0.293 114 R C -0.527 175.502 176.300 -0.452 0.000 1.023 114 R CA 0.347 56.302 56.100 -0.242 0.000 1.037 114 R CB 0.147 30.318 30.300 -0.215 0.000 0.951 114 R HN 0.765 nan 8.270 nan 0.000 0.418 115 Q N 2.809 122.238 119.800 -0.619 0.000 2.221 115 Q HA 0.250 4.603 4.340 0.021 0.000 0.242 115 Q C -0.407 174.993 176.000 -1.000 0.000 0.940 115 Q CA -0.375 54.924 55.803 -0.839 0.000 0.896 115 Q CB 1.341 29.340 28.738 -1.232 0.000 1.226 115 Q HN 0.530 nan 8.270 nan 0.000 0.463 116 H N 1.779 120.585 119.070 -0.441 0.000 2.623 116 H HA 0.353 4.922 4.556 0.021 0.000 0.299 116 H C -0.765 174.580 175.328 0.029 0.000 1.052 116 H CA -0.075 55.851 56.048 -0.204 0.000 1.231 116 H CB -0.029 29.700 29.762 -0.055 0.000 1.389 116 H HN 0.379 nan 8.280 nan 0.000 0.469 117 F N 2.566 122.551 119.950 0.058 0.000 2.403 117 F HA 0.144 4.684 4.527 0.021 0.000 0.355 117 F C 1.251 177.081 175.800 0.050 0.000 1.119 117 F CA -0.859 57.165 58.000 0.041 0.000 1.007 117 F CB 1.884 40.886 39.000 0.003 0.000 1.194 117 F HN 0.338 nan 8.300 nan 0.000 0.443 118 Q N 1.560 121.502 119.800 0.237 0.000 2.311 118 Q HA -0.008 4.345 4.340 0.021 0.000 0.203 118 Q C -0.212 175.855 176.000 0.112 0.000 0.954 118 Q CA 0.898 56.785 55.803 0.140 0.000 0.885 118 Q CB -0.048 28.750 28.738 0.099 0.000 0.963 118 Q HN 0.777 nan 8.270 nan 0.000 0.471 119 D N -3.825 116.639 120.400 0.107 0.000 2.665 119 D HA 0.128 4.781 4.640 0.021 0.000 0.287 119 D C 0.363 176.682 176.300 0.033 0.000 1.266 119 D CA -0.421 53.620 54.000 0.068 0.000 0.830 119 D CB 0.071 40.901 40.800 0.051 0.000 1.356 119 D HN -0.306 nan 8.370 nan 0.000 0.437 120 T N -0.365 114.202 114.554 0.022 0.000 2.685 120 T HA -0.193 4.170 4.350 0.021 0.000 0.268 120 T C 1.349 176.038 174.700 -0.018 0.000 1.034 120 T CA 2.041 64.136 62.100 -0.008 0.000 1.149 120 T CB -0.744 68.123 68.868 -0.003 0.000 0.860 120 T HN 0.500 nan 8.240 nan 0.000 0.449 121 N N 0.573 119.301 118.700 0.047 0.000 2.205 121 N HA -0.134 4.619 4.740 0.021 0.000 0.186 121 N C 1.465 176.993 175.510 0.029 0.000 1.015 121 N CA 1.063 54.207 53.050 0.156 0.000 0.862 121 N CB -0.083 38.515 38.487 0.184 0.000 0.986 121 N HN 0.394 nan 8.380 nan 0.000 0.429 122 D N 0.640 120.983 120.400 -0.095 0.000 2.149 122 D HA -0.170 4.482 4.640 0.021 0.000 0.201 122 D C 1.936 177.854 176.300 -0.637 0.000 0.972 122 D CA 0.789 54.662 54.000 -0.212 0.000 0.835 122 D CB -0.200 40.567 40.800 -0.055 0.000 0.966 122 D HN 0.406 nan 8.370 nan 0.000 0.476 123 Q N 0.663 119.932 119.800 -0.885 0.000 2.084 123 Q HA -0.125 4.228 4.340 0.021 0.000 0.202 123 Q C 2.363 178.165 176.000 -0.332 0.000 0.978 123 Q CA 0.894 56.037 55.803 -1.101 0.000 0.844 123 Q CB -0.095 28.321 28.738 -0.536 0.000 0.898 123 Q HN 0.275 nan 8.270 nan 0.000 0.426 124 L N -0.004 121.162 121.223 -0.096 0.000 2.141 124 L HA -0.121 4.232 4.340 0.021 0.000 0.209 124 L C 2.690 179.681 176.870 0.202 0.000 1.094 124 L CA 0.966 55.867 54.840 0.101 0.000 0.763 124 L CB -0.373 41.783 42.059 0.162 0.000 0.908 124 L HN 0.201 nan 8.230 nan 0.000 0.437 125 R N -0.650 119.911 120.500 0.102 0.000 2.092 125 R HA -0.152 4.201 4.340 0.021 0.000 0.231 125 R C 2.277 178.598 176.300 0.035 0.000 1.119 125 R CA 1.398 57.488 56.100 -0.017 0.000 0.970 125 R CB -0.375 29.821 30.300 -0.173 0.000 0.864 125 R HN 0.184 nan 8.270 nan 0.000 0.440 126 F N 1.424 121.322 119.950 -0.086 0.000 2.102 126 F HA -0.194 4.346 4.527 0.021 0.000 0.298 126 F C 2.336 178.154 175.800 0.030 0.000 1.105 126 F CA 1.571 59.580 58.000 0.014 0.000 1.239 126 F CB -0.310 38.760 39.000 0.117 0.000 0.991 126 F HN -0.010 nan 8.300 nan 0.000 0.474 127 A N 0.350 123.319 122.820 0.248 0.000 1.908 127 A HA -0.130 4.203 4.320 0.021 0.000 0.218 127 A C 2.385 179.979 177.584 0.017 0.000 1.181 127 A CA 1.930 54.056 52.037 0.148 0.000 0.627 127 A CB -1.608 17.478 19.000 0.144 0.000 0.818 127 A HN 0.516 nan 8.150 nan 0.000 0.445 128 A N -1.228 121.614 122.820 0.037 0.000 1.902 128 A HA -0.227 4.106 4.320 0.021 0.000 0.217 128 A C 2.412 179.959 177.584 -0.060 0.000 1.181 128 A CA 1.741 53.788 52.037 0.017 0.000 0.623 128 A CB -1.423 17.633 19.000 0.094 0.000 0.818 128 A HN 0.781 nan 8.150 nan 0.000 0.443 129 C N -0.907 118.325 119.300 -0.113 0.000 2.425 129 C HA -0.002 4.471 4.460 0.021 0.000 0.277 129 C C 2.543 177.397 174.990 -0.226 0.000 1.280 129 C CA 1.066 59.980 59.018 -0.173 0.000 1.744 129 C CB -1.523 26.080 27.740 -0.228 0.000 1.989 129 C HN 0.646 nan 8.230 nan 0.000 0.491 130 L N 0.260 121.305 121.223 -0.297 0.000 2.056 130 L HA -0.052 4.300 4.340 0.021 0.000 0.207 130 L C 2.390 179.094 176.870 -0.277 0.000 1.078 130 L CA 1.872 56.517 54.840 -0.324 0.000 0.749 130 L CB -0.432 41.435 42.059 -0.320 0.000 0.901 130 L HN 0.352 nan 8.230 nan 0.000 0.433 131 I N -1.014 119.438 120.570 -0.197 0.000 2.226 131 I HA -0.311 3.872 4.170 0.021 0.000 0.245 131 I C 2.750 178.785 176.117 -0.136 0.000 1.100 131 I CA 1.422 62.624 61.300 -0.163 0.000 1.374 131 I CB -0.442 37.508 38.000 -0.083 0.000 1.057 131 I HN 0.307 nan 8.210 nan 0.000 0.413 132 S N 0.869 116.506 115.700 -0.106 0.000 2.370 132 S HA -0.159 4.324 4.470 0.021 0.000 0.226 132 S C 2.124 176.684 174.600 -0.067 0.000 1.033 132 S CA 1.729 59.883 58.200 -0.076 0.000 1.011 132 S CB -0.646 62.516 63.200 -0.064 0.000 0.852 132 S HN 0.574 nan 8.310 nan 0.000 0.457 133 G N 0.443 109.193 108.800 -0.083 0.000 2.432 133 G HA2 -0.123 3.850 3.960 0.021 0.000 0.219 133 G HA3 -0.123 3.850 3.960 0.021 0.000 0.219 133 G C 1.444 176.334 174.900 -0.017 0.000 1.135 133 G CA 1.057 46.143 45.100 -0.023 0.000 0.767 133 G HN 0.483 nan 8.290 nan 0.000 0.550 134 V N 0.835 120.674 119.914 -0.125 0.000 2.453 134 V HA -0.061 4.071 4.120 0.021 0.000 0.247 134 V C 2.867 178.837 176.094 -0.205 0.000 1.048 134 V CA 1.210 63.405 62.300 -0.176 0.000 1.049 134 V CB -0.298 31.355 31.823 -0.284 0.000 0.672 134 V HN 0.351 nan 8.190 nan 0.000 0.457 135 L N -0.466 120.664 121.223 -0.156 0.000 2.093 135 L HA -0.127 4.226 4.340 0.021 0.000 0.208 135 L C 2.602 179.428 176.870 -0.072 0.000 1.085 135 L CA 1.432 56.192 54.840 -0.134 0.000 0.755 135 L CB -0.652 41.353 42.059 -0.089 0.000 0.904 135 L HN 0.278 nan 8.230 nan 0.000 0.435 136 S N -1.063 114.631 115.700 -0.011 0.000 2.355 136 S HA -0.209 4.274 4.470 0.021 0.000 0.222 136 S C 1.917 176.544 174.600 0.045 0.000 1.031 136 S CA 1.096 59.320 58.200 0.040 0.000 0.993 136 S CB -0.384 62.885 63.200 0.115 0.000 0.859 136 S HN 0.364 nan 8.310 nan 0.000 0.453 137 Y N 2.255 122.522 120.300 -0.056 0.000 2.181 137 Y HA -0.125 4.438 4.550 0.021 0.000 0.288 137 Y C 2.347 178.187 175.900 -0.099 0.000 1.146 137 Y CA 1.818 59.847 58.100 -0.118 0.000 1.164 137 Y CB -0.180 38.223 38.460 -0.094 0.000 0.982 137 Y HN 0.081 nan 8.280 nan 0.000 0.515 138 K N -1.001 119.373 120.400 -0.044 0.000 2.209 138 K HA -0.143 4.190 4.320 0.021 0.000 0.204 138 K C 1.860 178.385 176.600 -0.125 0.000 1.048 138 K CA 1.646 57.866 56.287 -0.112 0.000 0.940 138 K CB -0.127 32.193 32.500 -0.300 0.000 0.729 138 K HN 0.287 nan 8.250 nan 0.000 0.451 139 T N 1.512 115.994 114.554 -0.119 0.000 2.777 139 T HA -0.056 4.306 4.350 0.021 0.000 0.266 139 T C 1.680 176.296 174.700 -0.141 0.000 1.040 139 T CA 0.935 62.975 62.100 -0.100 0.000 1.141 139 T CB -0.034 68.799 68.868 -0.060 0.000 0.868 139 T HN 0.160 nan 8.240 nan 0.000 0.444 140 L N 0.402 121.501 121.223 -0.206 0.000 2.083 140 L HA -0.069 4.284 4.340 0.021 0.000 0.209 140 L C 2.444 179.129 176.870 -0.309 0.000 1.083 140 L CA 1.111 55.795 54.840 -0.259 0.000 0.752 140 L CB -0.550 41.284 42.059 -0.375 0.000 0.899 140 L HN 0.272 nan 8.230 nan 0.000 0.433 141 L N -0.541 120.464 121.223 -0.364 0.000 1.988 141 L HA -0.225 4.127 4.340 0.021 0.000 0.207 141 L C 2.342 179.060 176.870 -0.254 0.000 1.071 141 L CA 1.288 55.934 54.840 -0.324 0.000 0.744 141 L CB -0.685 41.218 42.059 -0.260 0.000 0.893 141 L HN 0.293 nan 8.230 nan 0.000 0.433 142 D N -0.161 120.129 120.400 -0.183 0.000 2.203 142 D HA -0.182 4.471 4.640 0.021 0.000 0.199 142 D C 2.015 178.155 176.300 -0.267 0.000 0.997 142 D CA 1.872 55.763 54.000 -0.182 0.000 0.863 142 D CB -0.127 40.624 40.800 -0.081 0.000 0.928 142 D HN 0.381 nan 8.370 nan 0.000 0.458 143 S N -1.023 114.548 115.700 -0.214 0.000 2.597 143 S HA 0.027 4.509 4.470 0.021 0.000 0.224 143 S C -0.015 174.510 174.600 -0.125 0.000 0.955 143 S CA -0.398 57.733 58.200 -0.116 0.000 0.933 143 S CB -0.448 62.724 63.200 -0.047 0.000 0.788 143 S HN 0.248 nan 8.310 nan 0.000 0.488 144 H N 0.518 119.448 119.070 -0.233 0.000 2.692 144 H HA -0.130 4.439 4.556 0.022 0.000 0.316 144 H C 0.633 175.851 175.328 -0.183 0.000 1.176 144 H CA 0.696 56.552 56.048 -0.319 0.000 1.142 144 H CB -2.244 27.000 29.762 -0.862 0.000 1.475 144 H HN 0.444 nan 8.280 nan 0.000 0.423 145 S N -0.690 114.953 115.700 -0.095 0.000 2.539 145 S HA 0.124 4.607 4.470 0.021 0.000 0.221 145 S C 0.674 175.210 174.600 -0.107 0.000 0.987 145 S CA -0.538 57.622 58.200 -0.068 0.000 0.929 145 S CB 0.624 63.786 63.200 -0.065 0.000 0.832 145 S HN 0.315 nan 8.310 nan 0.000 0.492 146 L N 4.176 125.287 121.223 -0.186 0.000 2.410 146 L HA 0.346 4.698 4.340 0.021 0.000 0.273 146 L C -2.557 174.218 176.870 -0.159 0.000 1.144 146 L CA -1.684 53.004 54.840 -0.254 0.000 0.863 146 L CB -0.159 41.622 42.059 -0.464 0.000 1.140 146 L HN -0.078 nan 8.230 nan 0.000 0.463 147 P HA 0.132 nan 4.420 nan 0.000 0.268 147 P C -0.815 176.460 177.300 -0.042 0.000 1.205 147 P CA -0.224 62.847 63.100 -0.049 0.000 0.771 147 P CB 0.295 31.977 31.700 -0.029 0.000 0.858 148 T N 2.715 117.297 114.554 0.045 0.000 2.916 148 T HA 0.068 4.431 4.350 0.021 0.000 0.303 148 T C 0.137 174.948 174.700 0.186 0.000 1.025 148 T CA -0.064 62.106 62.100 0.118 0.000 1.142 148 T CB -0.079 68.919 68.868 0.217 0.000 0.947 148 T HN 0.333 nan 8.240 nan 0.000 0.544 149 D N 1.652 122.149 120.400 0.161 0.000 2.389 149 D HA 0.149 4.802 4.640 0.021 0.000 0.247 149 D C -0.498 175.969 176.300 0.278 0.000 1.128 149 D CA 0.140 54.257 54.000 0.196 0.000 0.884 149 D CB 0.711 41.612 40.800 0.167 0.000 1.194 149 D HN 0.453 nan 8.370 nan 0.000 0.441 150 W N 0.574 121.887 121.300 0.021 0.000 2.666 150 W HA 0.530 5.193 4.660 0.005 0.000 0.334 150 W C -0.410 176.115 176.519 0.011 0.000 1.051 150 W CA -0.781 56.571 57.345 0.012 0.000 1.224 150 W CB 1.531 30.997 29.460 0.009 0.000 1.405 150 W HN 0.280 nan 8.180 nan 0.000 0.513 151 A N 4.052 126.858 122.820 -0.024 0.000 2.276 151 A HA 0.536 4.869 4.320 0.021 0.000 0.316 151 A C -0.297 177.314 177.584 0.044 0.000 1.229 151 A CA -0.741 51.288 52.037 -0.013 0.000 0.851 151 A CB 0.328 19.259 19.000 -0.116 0.000 1.165 151 A HN 0.583 nan 8.150 nan 0.000 0.513 152 K N 1.346 121.802 120.400 0.092 0.000 2.350 152 K HA 0.427 4.759 4.320 0.021 0.000 0.279 152 K C 0.483 177.117 176.600 0.057 0.000 1.027 152 K CA 0.464 56.815 56.287 0.107 0.000 0.969 152 K CB 1.044 33.600 32.500 0.093 0.000 0.954 152 K HN 0.793 nan 8.250 nan 0.000 0.474 153 G N 0.955 109.793 108.800 0.063 0.000 2.680 153 G HA2 0.119 4.092 3.960 0.021 0.000 0.290 153 G HA3 0.119 4.092 3.960 0.021 0.000 0.290 153 G C -0.018 174.909 174.900 0.044 0.000 1.355 153 G CA -0.422 44.699 45.100 0.035 0.000 0.903 153 G HN 0.503 nan 8.290 nan 0.000 0.474 154 Q N -0.564 119.255 119.800 0.033 0.000 2.020 154 Q HA 0.087 4.439 4.340 0.021 0.000 0.202 154 Q C 2.338 178.360 176.000 0.036 0.000 0.982 154 Q CA 1.645 57.467 55.803 0.033 0.000 0.838 154 Q CB -0.204 28.550 28.738 0.026 0.000 0.899 154 Q HN 0.520 nan 8.270 nan 0.000 0.423 155 L N -0.950 120.293 121.223 0.034 0.000 2.513 155 L HA 0.272 4.625 4.340 0.021 0.000 0.222 155 L C 0.384 177.286 176.870 0.052 0.000 1.096 155 L CA 0.234 55.096 54.840 0.037 0.000 0.857 155 L CB 0.335 42.411 42.059 0.028 0.000 1.026 155 L HN 0.146 nan 8.230 nan 0.000 0.469 156 S N -2.027 113.710 115.700 0.061 0.000 2.660 156 S HA 0.626 5.109 4.470 0.021 0.000 0.264 156 S C -0.580 174.082 174.600 0.104 0.000 1.131 156 S CA -0.363 57.898 58.200 0.102 0.000 0.846 156 S CB 1.175 64.427 63.200 0.087 0.000 1.151 156 S HN -0.003 nan 8.310 nan 0.000 0.486 157 G N -0.426 108.490 108.800 0.194 0.000 3.013 157 G HA2 0.788 4.760 3.960 0.021 0.000 0.278 157 G HA3 0.788 4.760 3.960 0.021 0.000 0.278 157 G C -1.529 173.007 174.900 -0.607 0.000 1.353 157 G CA -0.745 44.378 45.100 0.038 0.000 1.043 157 G HN 1.158 nan 8.290 nan 0.000 0.523 158 Q N -1.283 117.836 119.800 -1.136 0.000 2.472 158 Q HA 0.489 4.842 4.340 0.021 0.000 0.281 158 Q C -3.152 171.988 176.000 -1.434 0.000 0.997 158 Q CA -1.841 53.192 55.803 -1.283 0.000 0.828 158 Q CB 2.325 30.708 28.738 -0.592 0.000 1.443 158 Q HN 0.296 nan 8.270 nan 0.000 0.390 159 P HA 0.189 nan 4.420 nan 0.000 0.272 159 P C -0.843 176.252 177.300 -0.342 0.000 1.223 159 P CA -0.104 62.625 63.100 -0.618 0.000 0.784 159 P CB 0.556 32.142 31.700 -0.189 0.000 0.923 160 L N 0.844 121.973 121.223 -0.156 0.000 2.319 160 L HA 0.447 4.800 4.340 0.021 0.000 0.267 160 L C 0.499 177.375 176.870 0.009 0.000 1.011 160 L CA -1.148 53.641 54.840 -0.085 0.000 0.818 160 L CB 1.839 43.881 42.059 -0.029 0.000 1.316 160 L HN 0.441 nan 8.230 nan 0.000 0.432 161 C N 2.811 122.122 119.300 0.018 0.000 2.642 161 C HA 0.103 4.576 4.460 0.021 0.000 0.420 161 C C 1.334 176.418 174.990 0.157 0.000 1.349 161 C CA -0.171 58.894 59.018 0.078 0.000 1.821 161 C CB -0.050 27.724 27.740 0.057 0.000 2.637 161 C HN 0.746 nan 8.230 nan 0.000 0.605 162 M N 4.810 124.547 119.600 0.228 0.000 2.313 162 M HA 0.107 4.600 4.480 0.021 0.000 0.273 162 M C 1.825 178.381 176.300 0.426 0.000 1.049 162 M CA 0.187 55.703 55.300 0.361 0.000 1.004 162 M CB -0.522 32.277 32.600 0.332 0.000 1.461 162 M HN 0.706 nan 8.290 nan 0.000 0.514 163 K N 1.021 121.613 120.400 0.320 0.000 2.089 163 K HA -0.186 4.147 4.320 0.021 0.000 0.210 163 K C 1.665 178.430 176.600 0.275 0.000 1.048 163 K CA 1.494 57.975 56.287 0.324 0.000 0.926 163 K CB -0.330 32.285 32.500 0.193 0.000 0.714 163 K HN 0.545 nan 8.250 nan 0.000 0.448 164 Q N -0.441 119.447 119.800 0.147 0.000 2.135 164 Q HA -0.181 4.172 4.340 0.021 0.000 0.204 164 Q C 2.029 177.978 176.000 -0.086 0.000 0.981 164 Q CA 1.595 57.427 55.803 0.048 0.000 0.856 164 Q CB -0.306 28.402 28.738 -0.050 0.000 0.902 164 Q HN 0.401 nan 8.270 nan 0.000 0.425 165 Y N -1.140 119.080 120.300 -0.134 0.000 2.224 165 Y HA -0.215 4.347 4.550 0.021 0.000 0.289 165 Y C 1.344 177.006 175.900 -0.397 0.000 1.146 165 Y CA 1.125 59.013 58.100 -0.353 0.000 1.182 165 Y CB -0.204 37.954 38.460 -0.503 0.000 0.983 165 Y HN 0.189 nan 8.280 nan 0.000 0.524 166 Y N -0.734 119.636 120.300 0.117 0.000 2.519 166 Y HA 0.068 4.630 4.550 0.020 0.000 0.311 166 Y C 1.499 177.445 175.900 0.077 0.000 1.207 166 Y CA 0.337 58.479 58.100 0.069 0.000 1.289 166 Y CB -0.135 38.358 38.460 0.054 0.000 1.059 166 Y HN -0.014 nan 8.280 nan 0.000 0.507 167 R N -1.041 119.547 120.500 0.148 0.000 2.509 167 R HA 0.210 4.563 4.340 0.021 0.000 0.297 167 R C 1.417 177.799 176.300 0.136 0.000 0.951 167 R CA 0.007 56.214 56.100 0.178 0.000 1.103 167 R CB 0.226 30.661 30.300 0.225 0.000 1.283 167 R HN 0.398 nan 8.270 nan 0.000 0.534 168 L N -0.237 120.894 121.223 -0.152 0.000 2.042 168 L HA -0.112 4.240 4.340 0.021 0.000 0.210 168 L C 1.160 177.746 176.870 -0.473 0.000 1.076 168 L CA 1.965 56.465 54.840 -0.567 0.000 0.749 168 L CB -0.092 41.275 42.059 -1.155 0.000 0.893 168 L HN 0.172 nan 8.230 nan 0.000 0.432 169 F N -2.377 117.645 119.950 0.119 0.000 2.706 169 F HA 0.088 4.628 4.527 0.021 0.000 0.313 169 F C 1.754 177.625 175.800 0.119 0.000 1.096 169 F CA -0.059 58.014 58.000 0.121 0.000 1.219 169 F CB 0.232 39.291 39.000 0.098 0.000 1.051 169 F HN -0.039 nan 8.300 nan 0.000 0.568 170 S N -1.330 114.524 115.700 0.258 0.000 2.601 170 S HA 0.326 4.809 4.470 0.021 0.000 0.244 170 S C 0.129 174.844 174.600 0.191 0.000 1.001 170 S CA -0.360 57.964 58.200 0.206 0.000 0.984 170 S CB -0.136 63.176 63.200 0.186 0.000 0.842 170 S HN -0.041 nan 8.310 nan 0.000 0.474 171 S N 1.136 116.959 115.700 0.204 0.000 2.532 171 S HA 0.720 5.202 4.470 0.021 0.000 0.301 171 S C -1.497 173.248 174.600 0.242 0.000 1.083 171 S CA -0.608 57.707 58.200 0.192 0.000 1.025 171 S CB 1.355 64.640 63.200 0.143 0.000 1.056 171 S HN 0.524 nan 8.310 nan 0.000 0.494 172 Y N 1.477 121.834 120.300 0.095 0.000 2.479 172 Y HA 0.485 5.048 4.550 0.021 0.000 0.338 172 Y C -0.625 175.333 175.900 0.098 0.000 1.055 172 Y CA -0.742 57.426 58.100 0.113 0.000 1.023 172 Y CB 1.242 39.778 38.460 0.125 0.000 1.287 172 Y HN 0.651 nan 8.280 nan 0.000 0.447 173 R N 6.519 126.770 120.500 -0.415 0.000 2.233 173 R HA 0.425 4.778 4.340 0.021 0.000 0.334 173 R C -1.704 174.487 176.300 -0.181 0.000 1.037 173 R CA -0.715 55.261 56.100 -0.206 0.000 0.920 173 R CB 0.314 30.509 30.300 -0.175 0.000 1.137 173 R HN 0.668 nan 8.270 nan 0.000 0.492 174 L N 7.259 128.532 121.223 0.084 0.000 2.367 174 L HA 0.336 4.688 4.340 0.021 0.000 0.275 174 L C -1.986 174.900 176.870 0.027 0.000 1.129 174 L CA -1.934 53.009 54.840 0.171 0.000 0.839 174 L CB 0.980 43.156 42.059 0.196 0.000 1.133 174 L HN 0.565 nan 8.230 nan 0.000 0.453 175 P HA 0.314 nan 4.420 nan 0.000 0.279 175 P C -0.615 176.614 177.300 -0.117 0.000 1.239 175 P CA -0.373 62.666 63.100 -0.100 0.000 0.789 175 P CB 1.442 33.004 31.700 -0.230 0.000 0.933 176 G N 1.206 109.946 108.800 -0.100 0.000 2.533 176 G HA2 0.342 4.315 3.960 0.021 0.000 0.304 176 G HA3 0.342 4.315 3.960 0.021 0.000 0.304 176 G C 1.025 175.847 174.900 -0.130 0.000 1.263 176 G CA -0.496 44.530 45.100 -0.124 0.000 0.964 176 G HN 0.644 nan 8.290 nan 0.000 0.479 177 H N -0.946 118.090 119.070 -0.058 0.000 2.387 177 H HA -0.130 4.439 4.556 0.021 0.000 0.299 177 H C 1.644 176.949 175.328 -0.040 0.000 1.099 177 H CA 2.090 58.107 56.048 -0.051 0.000 1.315 177 H CB -0.456 29.280 29.762 -0.044 0.000 1.380 177 H HN 0.555 nan 8.280 nan 0.000 0.513 178 T N -3.567 110.741 114.554 -0.411 0.000 2.964 178 T HA 0.152 4.515 4.350 0.021 0.000 0.250 178 T C 0.797 175.385 174.700 -0.186 0.000 0.982 178 T CA -0.268 61.707 62.100 -0.207 0.000 0.959 178 T CB 0.733 69.511 68.868 -0.149 0.000 1.141 178 T HN 0.318 nan 8.240 nan 0.000 0.494 179 Q N 0.668 120.322 119.800 -0.244 0.000 2.315 179 Q HA 0.441 4.794 4.340 0.021 0.000 0.273 179 Q C -1.826 174.098 176.000 -0.127 0.000 1.053 179 Q CA -0.700 55.014 55.803 -0.148 0.000 0.817 179 Q CB 2.025 30.691 28.738 -0.121 0.000 1.326 179 Q HN 0.138 nan 8.270 nan 0.000 0.423 180 D N 1.055 121.409 120.400 -0.078 0.000 2.411 180 D HA 0.408 5.061 4.640 0.021 0.000 0.251 180 D C -0.749 175.536 176.300 -0.025 0.000 1.201 180 D CA 0.238 54.208 54.000 -0.050 0.000 0.996 180 D CB 1.258 42.038 40.800 -0.033 0.000 1.101 180 D HN 0.386 nan 8.370 nan 0.000 0.504 181 T N 0.762 115.317 114.554 0.001 0.000 2.881 181 T HA 0.362 4.725 4.350 0.021 0.000 0.290 181 T C -0.894 173.835 174.700 0.050 0.000 1.000 181 T CA -0.605 61.511 62.100 0.028 0.000 0.978 181 T CB 1.202 70.094 68.868 0.041 0.000 0.997 181 T HN 0.100 nan 8.240 nan 0.000 0.443 182 L N 5.078 126.332 121.223 0.052 0.000 2.261 182 L HA 0.580 4.932 4.340 0.021 0.000 0.289 182 L C -0.761 176.166 176.870 0.095 0.000 1.059 182 L CA -0.270 54.607 54.840 0.062 0.000 0.816 182 L CB 0.384 42.474 42.059 0.052 0.000 1.191 182 L HN 0.442 nan 8.230 nan 0.000 0.431 183 V N 5.374 125.371 119.914 0.138 0.000 2.407 183 V HA 0.646 4.779 4.120 0.021 0.000 0.278 183 V C 0.552 176.734 176.094 0.145 0.000 1.037 183 V CA -0.518 61.870 62.300 0.147 0.000 0.900 183 V CB 1.123 33.060 31.823 0.190 0.000 0.983 183 V HN 0.930 nan 8.190 nan 0.000 0.459 184 A N 4.239 127.130 122.820 0.119 0.000 2.269 184 A HA 0.391 4.724 4.320 0.021 0.000 0.302 184 A C 0.222 177.872 177.584 0.110 0.000 1.266 184 A CA -0.388 51.720 52.037 0.119 0.000 0.894 184 A CB 0.121 19.185 19.000 0.106 0.000 1.147 184 A HN 0.878 nan 8.150 nan 0.000 0.537 185 Q N 1.403 121.275 119.800 0.119 0.000 2.339 185 Q HA -0.074 4.279 4.340 0.021 0.000 0.308 185 Q C 0.097 176.145 176.000 0.081 0.000 1.097 185 Q CA 0.468 56.329 55.803 0.097 0.000 1.007 185 Q CB 0.193 28.991 28.738 0.100 0.000 1.051 185 Q HN 0.525 nan 8.270 nan 0.000 0.381 186 K N 2.353 122.792 120.400 0.065 0.000 2.146 186 K HA -0.011 4.322 4.320 0.021 0.000 0.220 186 K C -0.063 176.569 176.600 0.053 0.000 1.227 186 K CA 0.122 56.442 56.287 0.057 0.000 1.185 186 K CB -0.312 32.215 32.500 0.046 0.000 1.333 186 K HN 0.502 nan 8.250 nan 0.000 0.242 187 S N 0.360 116.096 115.700 0.061 0.000 3.227 187 S HA 0.027 4.510 4.470 0.021 0.000 0.249 187 S C 0.538 175.169 174.600 0.052 0.000 1.322 187 S CA -0.345 57.889 58.200 0.057 0.000 1.253 187 S CB 0.166 63.404 63.200 0.064 0.000 1.076 187 S HN 0.336 nan 8.310 nan 0.000 0.471 188 S N 0.857 116.585 115.700 0.047 0.000 2.517 188 S HA 0.316 4.799 4.470 0.021 0.000 0.214 188 S C 0.636 175.258 174.600 0.037 0.000 0.991 188 S CA -0.386 57.839 58.200 0.042 0.000 0.906 188 S CB -0.149 63.075 63.200 0.039 0.000 0.789 188 S HN 0.658 nan 8.310 nan 0.000 0.513 189 I N 2.863 123.455 120.570 0.036 0.000 2.496 189 I HA 0.090 4.273 4.170 0.021 0.000 0.285 189 I C 0.639 176.777 176.117 0.034 0.000 1.080 189 I CA -0.179 61.141 61.300 0.032 0.000 1.404 189 I CB 0.502 38.520 38.000 0.031 0.000 1.403 189 I HN 0.110 nan 8.210 nan 0.000 0.539 190 M N 7.348 126.966 119.600 0.031 0.000 2.206 190 M HA 0.068 4.561 4.480 0.021 0.000 0.288 190 M C -1.901 174.419 176.300 0.034 0.000 1.126 190 M CA -0.986 54.333 55.300 0.032 0.000 1.152 190 M CB -0.613 32.004 32.600 0.028 0.000 1.383 190 M HN 0.343 nan 8.290 nan 0.000 0.437 191 P HA -0.042 nan 4.420 nan 0.000 0.258 191 P C -0.998 176.324 177.300 0.036 0.000 1.172 191 P CA 0.896 64.019 63.100 0.039 0.000 0.762 191 P CB 0.460 32.185 31.700 0.042 0.000 0.764 192 E N 3.353 123.576 120.200 0.038 0.000 2.450 192 E HA 0.445 4.807 4.350 0.021 0.000 0.272 192 E C -2.541 174.087 176.600 0.046 0.000 0.967 192 E CA -2.088 54.334 56.400 0.037 0.000 0.818 192 E CB 0.259 29.982 29.700 0.039 0.000 1.401 192 E HN 0.252 nan 8.360 nan 0.000 0.450 193 P HA 0.128 nan 4.420 nan 0.000 0.269 193 P C -0.656 176.724 177.300 0.134 0.000 1.263 193 P CA 0.307 63.444 63.100 0.061 0.000 0.813 193 P CB 0.286 32.004 31.700 0.031 0.000 0.868 194 E N 3.414 123.673 120.200 0.099 0.000 2.366 194 E HA 0.167 4.530 4.350 0.021 0.000 0.266 194 E C 0.333 177.010 176.600 0.129 0.000 1.051 194 E CA -0.111 56.337 56.400 0.081 0.000 0.884 194 E CB 0.575 30.279 29.700 0.007 0.000 1.006 194 E HN 0.640 nan 8.360 nan 0.000 0.417 195 H N -1.678 117.395 119.070 0.005 0.000 3.017 195 H HA 0.502 5.071 4.556 0.022 0.000 0.346 195 H C -1.022 174.322 175.328 0.027 0.000 1.286 195 H CA -0.996 55.058 56.048 0.011 0.000 1.120 195 H CB 0.606 30.373 29.762 0.008 0.000 1.860 195 H HN 0.307 nan 8.280 nan 0.000 0.542 196 V N -0.294 119.674 119.914 0.090 0.000 2.919 196 V HA 0.592 4.724 4.120 0.021 0.000 0.316 196 V C -0.436 175.774 176.094 0.193 0.000 1.077 196 V CA -1.022 61.325 62.300 0.079 0.000 0.977 196 V CB 2.015 33.885 31.823 0.079 0.000 1.039 196 V HN 0.601 nan 8.190 nan 0.000 0.441 197 I N 2.714 123.399 120.570 0.193 0.000 2.377 197 I HA 0.499 4.682 4.170 0.021 0.000 0.293 197 I C -0.292 175.981 176.117 0.260 0.000 0.987 197 I CA -0.536 60.907 61.300 0.238 0.000 1.185 197 I CB 1.648 39.766 38.000 0.197 0.000 1.341 197 I HN 0.486 nan 8.210 nan 0.000 0.455 198 V N 5.675 125.760 119.914 0.284 0.000 2.384 198 V HA 0.613 4.746 4.120 0.021 0.000 0.287 198 V C 0.384 176.647 176.094 0.282 0.000 1.020 198 V CA -0.693 61.752 62.300 0.241 0.000 0.850 198 V CB 1.607 33.521 31.823 0.152 0.000 0.987 198 V HN 0.858 nan 8.190 nan 0.000 0.436 199 A N 4.144 127.083 122.820 0.199 0.000 2.276 199 A HA 0.718 5.051 4.320 0.021 0.000 0.316 199 A C -0.494 177.094 177.584 0.008 0.000 1.229 199 A CA -0.370 51.682 52.037 0.026 0.000 0.851 199 A CB 0.930 19.952 19.000 0.036 0.000 1.165 199 A HN 0.954 nan 8.150 nan 0.000 0.513 200 C N 2.309 121.600 119.300 -0.014 0.000 2.642 200 C HA 0.481 4.953 4.460 0.021 0.000 0.344 200 C C 0.564 175.558 174.990 0.007 0.000 1.110 200 C CA 0.256 59.279 59.018 0.009 0.000 1.298 200 C CB -0.562 27.182 27.740 0.007 0.000 1.827 200 C HN 1.507 nan 8.230 nan 0.000 0.467 201 C N 5.515 124.812 119.300 -0.005 0.000 4.356 201 C HA -0.140 4.333 4.460 0.021 0.000 0.296 201 C C 0.934 175.907 174.990 -0.029 0.000 1.424 201 C CA 1.301 60.320 59.018 0.002 0.000 2.000 201 C CB -2.886 24.873 27.740 0.032 0.000 1.262 201 C HN 1.107 nan 8.230 nan 0.000 0.789 202 N N -2.410 116.228 118.700 -0.104 0.000 2.909 202 N HA -0.153 4.600 4.740 0.021 0.000 0.242 202 N C -0.180 175.141 175.510 -0.314 0.000 0.975 202 N CA 1.765 54.703 53.050 -0.186 0.000 0.921 202 N CB -0.488 37.969 38.487 -0.050 0.000 1.112 202 N HN 0.807 nan 8.380 nan 0.000 0.581 203 Q N -0.207 119.447 119.800 -0.243 0.000 2.235 203 Q HA 0.556 4.908 4.340 0.021 0.000 0.256 203 Q C -0.173 175.629 176.000 -0.329 0.000 0.951 203 Q CA -0.117 55.593 55.803 -0.156 0.000 0.890 203 Q CB 0.736 29.524 28.738 0.084 0.000 1.279 203 Q HN 0.158 nan 8.270 nan 0.000 0.444 204 F N 1.384 121.380 119.950 0.078 0.000 2.469 204 F HA 0.534 5.073 4.527 0.021 0.000 0.332 204 F C -0.384 175.304 175.800 -0.187 0.000 1.103 204 F CA -0.658 57.395 58.000 0.089 0.000 0.979 204 F CB 1.106 40.183 39.000 0.129 0.000 1.137 204 F HN 0.324 nan 8.300 nan 0.000 0.463 205 F N 1.324 121.386 119.950 0.186 0.000 2.551 205 F HA 0.604 5.144 4.527 0.021 0.000 0.316 205 F C -0.538 175.305 175.800 0.072 0.000 1.089 205 F CA -1.295 56.755 58.000 0.084 0.000 0.915 205 F CB 1.792 40.818 39.000 0.043 0.000 1.186 205 F HN -0.005 nan 8.300 nan 0.000 0.456 206 V N 4.101 124.122 119.914 0.179 0.000 2.406 206 V HA 0.298 4.431 4.120 0.021 0.000 0.272 206 V C -0.670 175.494 176.094 0.117 0.000 1.043 206 V CA -0.445 61.909 62.300 0.089 0.000 0.915 206 V CB 1.252 33.020 31.823 -0.092 0.000 0.988 206 V HN 0.490 nan 8.190 nan 0.000 0.466 207 L N 5.427 126.736 121.223 0.143 0.000 2.324 207 L HA 0.571 4.924 4.340 0.021 0.000 0.274 207 L C -0.304 176.634 176.870 0.114 0.000 1.012 207 L CA -0.169 54.734 54.840 0.104 0.000 0.859 207 L CB 1.107 43.221 42.059 0.092 0.000 1.224 207 L HN 0.528 nan 8.230 nan 0.000 0.429 208 D N 3.832 124.277 120.400 0.075 0.000 2.383 208 D HA 0.085 4.737 4.640 0.021 0.000 0.252 208 D C 1.246 177.574 176.300 0.048 0.000 1.166 208 D CA 0.234 54.279 54.000 0.076 0.000 0.879 208 D CB 1.978 42.796 40.800 0.030 0.000 1.164 208 D HN 0.486 nan 8.370 nan 0.000 0.462 209 V N 0.366 120.308 119.914 0.047 0.000 3.650 209 V HA 0.090 4.223 4.120 0.021 0.000 0.271 209 V C 0.562 176.659 176.094 0.006 0.000 1.281 209 V CA -0.019 62.290 62.300 0.015 0.000 1.120 209 V CB -0.248 31.573 31.823 -0.004 0.000 0.856 209 V HN 0.346 nan 8.190 nan 0.000 0.443 210 V N -1.690 118.231 119.914 0.012 0.000 2.686 210 V HA 0.724 4.857 4.120 0.021 0.000 0.306 210 V C -0.950 175.137 176.094 -0.012 0.000 1.065 210 V CA -0.787 61.514 62.300 0.002 0.000 0.894 210 V CB 2.021 33.852 31.823 0.014 0.000 1.004 210 V HN 0.147 nan 8.190 nan 0.000 0.424 211 I N 4.150 124.696 120.570 -0.041 0.000 2.503 211 I HA 0.581 4.764 4.170 0.021 0.000 0.282 211 I C 0.142 176.178 176.117 -0.136 0.000 1.059 211 I CA -0.056 61.202 61.300 -0.070 0.000 1.081 211 I CB 1.594 39.553 38.000 -0.069 0.000 1.210 211 I HN 0.993 nan 8.210 nan 0.000 0.450 212 N N 3.427 122.052 118.700 -0.126 0.000 1.379 212 N HA -0.266 4.487 4.740 0.021 0.000 0.188 212 N C 0.111 175.554 175.510 -0.111 0.000 0.891 212 N CA 1.971 54.898 53.050 -0.205 0.000 1.125 212 N CB -0.728 37.478 38.487 -0.468 0.000 1.497 212 N HN 0.607 nan 8.380 nan 0.000 0.461 213 F N 0.198 120.149 119.950 0.002 0.000 2.668 213 F HA 0.534 5.074 4.527 0.021 0.000 0.297 213 F C 0.608 176.408 175.800 -0.000 0.000 1.124 213 F CA -0.194 57.807 58.000 0.002 0.000 1.353 213 F CB -0.213 38.788 39.000 0.002 0.000 0.992 213 F HN 0.239 nan 8.300 nan 0.000 0.524 214 R N 1.741 122.222 120.500 -0.032 0.000 2.589 214 R HA 0.508 4.861 4.340 0.021 0.000 0.293 214 R C -0.618 175.687 176.300 0.007 0.000 0.963 214 R CA -0.875 55.230 56.100 0.009 0.000 0.905 214 R CB 1.348 31.572 30.300 -0.127 0.000 1.144 214 R HN 0.365 nan 8.270 nan 0.000 0.459 215 R N 5.551 126.068 120.500 0.028 0.000 2.294 215 R HA 0.284 4.636 4.340 0.021 0.000 0.319 215 R C -0.467 175.833 176.300 0.000 0.000 0.984 215 R CA -0.547 55.559 56.100 0.011 0.000 0.861 215 R CB 0.746 31.055 30.300 0.015 0.000 1.104 215 R HN 0.557 nan 8.270 nan 0.000 0.451 216 L N 3.576 124.794 121.223 -0.007 0.000 2.543 216 L HA 0.010 4.363 4.340 0.021 0.000 0.285 216 L C 0.827 177.694 176.870 -0.005 0.000 1.236 216 L CA 0.215 55.051 54.840 -0.008 0.000 0.871 216 L CB 0.539 42.594 42.059 -0.007 0.000 1.121 216 L HN 0.824 nan 8.230 nan 0.000 0.501 217 S N 0.731 116.430 115.700 -0.001 0.000 2.669 217 S HA 0.104 4.587 4.470 0.021 0.000 0.270 217 S C 0.813 175.415 174.600 0.003 0.000 1.225 217 S CA -0.659 57.541 58.200 -0.001 0.000 0.991 217 S CB 1.662 64.863 63.200 0.001 0.000 0.987 217 S HN 0.725 nan 8.310 nan 0.000 0.552 218 E N 1.134 121.331 120.200 -0.005 0.000 2.118 218 E HA -0.111 4.252 4.350 0.021 0.000 0.195 218 E C 1.972 178.593 176.600 0.036 0.000 0.992 218 E CA 1.367 57.765 56.400 -0.003 0.000 0.804 218 E CB -0.990 28.690 29.700 -0.033 0.000 0.741 218 E HN 0.888 nan 8.360 nan 0.000 0.458 219 G N 0.738 109.558 108.800 0.032 0.000 2.418 219 G HA2 -0.270 3.703 3.960 0.021 0.000 0.217 219 G HA3 -0.270 3.703 3.960 0.021 0.000 0.217 219 G C 1.233 176.206 174.900 0.121 0.000 1.158 219 G CA 0.991 46.138 45.100 0.078 0.000 0.771 219 G HN 0.244 nan 8.290 nan 0.000 0.545 220 D N 0.690 121.126 120.400 0.060 0.000 2.097 220 D HA -0.080 4.573 4.640 0.021 0.000 0.195 220 D C 2.680 179.001 176.300 0.035 0.000 0.989 220 D CA 0.592 54.614 54.000 0.037 0.000 0.827 220 D CB -0.291 40.516 40.800 0.011 0.000 0.966 220 D HN 0.287 nan 8.370 nan 0.000 0.456 221 L N 0.013 121.262 121.223 0.044 0.000 2.079 221 L HA -0.182 4.171 4.340 0.021 0.000 0.210 221 L C 2.432 179.335 176.870 0.056 0.000 1.081 221 L CA 0.759 55.619 54.840 0.034 0.000 0.752 221 L CB -0.435 41.642 42.059 0.030 0.000 0.896 221 L HN -0.029 nan 8.230 nan 0.000 0.433 222 F N 0.767 120.692 119.950 -0.042 0.000 2.102 222 F HA -0.229 4.311 4.527 0.021 0.000 0.298 222 F C 2.482 178.254 175.800 -0.047 0.000 1.105 222 F CA 2.051 60.023 58.000 -0.045 0.000 1.239 222 F CB -0.600 38.375 39.000 -0.042 0.000 0.991 222 F HN -0.085 nan 8.300 nan 0.000 0.474 223 T N 0.565 115.045 114.554 -0.123 0.000 2.746 223 T HA -0.188 4.175 4.350 0.021 0.000 0.267 223 T C 1.895 176.466 174.700 -0.215 0.000 1.039 223 T CA 1.549 63.521 62.100 -0.214 0.000 1.142 223 T CB -0.210 68.625 68.868 -0.055 0.000 0.866 223 T HN 0.284 nan 8.240 nan 0.000 0.444 224 Q N 0.610 120.330 119.800 -0.135 0.000 2.119 224 Q HA 0.070 4.423 4.340 0.021 0.000 0.201 224 Q C 2.482 178.380 176.000 -0.170 0.000 0.972 224 Q CA 1.002 56.732 55.803 -0.121 0.000 0.847 224 Q CB -0.563 28.136 28.738 -0.065 0.000 0.903 224 Q HN 0.498 nan 8.270 nan 0.000 0.433 225 L N -0.026 121.087 121.223 -0.183 0.000 2.141 225 L HA -0.138 4.215 4.340 0.021 0.000 0.209 225 L C 2.660 179.369 176.870 -0.269 0.000 1.094 225 L CA 0.897 55.619 54.840 -0.197 0.000 0.763 225 L CB -0.314 41.666 42.059 -0.131 0.000 0.908 225 L HN 0.140 nan 8.230 nan 0.000 0.437 226 R N 0.329 120.612 120.500 -0.361 0.000 2.096 226 R HA -0.161 4.191 4.340 0.021 0.000 0.235 226 R C 2.280 178.427 176.300 -0.255 0.000 1.127 226 R CA 1.377 57.264 56.100 -0.355 0.000 0.968 226 R CB 0.031 30.045 30.300 -0.477 0.000 0.861 226 R HN 0.314 nan 8.270 nan 0.000 0.440 227 K N -0.027 120.231 120.400 -0.236 0.000 2.097 227 K HA -0.079 4.254 4.320 0.021 0.000 0.205 227 K C 2.021 178.460 176.600 -0.268 0.000 1.050 227 K CA 1.160 57.330 56.287 -0.196 0.000 0.938 227 K CB -0.056 32.352 32.500 -0.152 0.000 0.718 227 K HN 0.171 nan 8.250 nan 0.000 0.442 228 I N 0.678 121.024 120.570 -0.373 0.000 2.179 228 I HA -0.278 3.905 4.170 0.021 0.000 0.242 228 I C 2.139 177.945 176.117 -0.520 0.000 1.088 228 I CA 1.100 61.993 61.300 -0.677 0.000 1.357 228 I CB -0.196 37.422 38.000 -0.637 0.000 1.051 228 I HN -0.062 nan 8.210 nan 0.000 0.409 229 V N 0.870 120.599 119.914 -0.308 0.000 2.407 229 V HA -0.296 3.837 4.120 0.021 0.000 0.248 229 V C 2.472 178.481 176.094 -0.143 0.000 1.055 229 V CA 1.839 64.023 62.300 -0.192 0.000 1.049 229 V CB -0.659 31.078 31.823 -0.144 0.000 0.662 229 V HN 0.411 nan 8.190 nan 0.000 0.455 230 K N -0.323 119.987 120.400 -0.150 0.000 2.025 230 K HA -0.121 4.211 4.320 0.021 0.000 0.207 230 K C 2.183 178.748 176.600 -0.059 0.000 1.049 230 K CA 1.555 57.787 56.287 -0.092 0.000 0.933 230 K CB -0.131 32.315 32.500 -0.091 0.000 0.714 230 K HN 0.360 nan 8.250 nan 0.000 0.438 231 M N -0.035 119.518 119.600 -0.079 0.000 2.200 231 M HA -0.051 4.441 4.480 0.021 0.000 0.265 231 M C 2.272 178.646 176.300 0.124 0.000 1.066 231 M CA 1.353 56.676 55.300 0.037 0.000 1.127 231 M CB -0.068 32.602 32.600 0.116 0.000 1.379 231 M HN 0.242 nan 8.290 nan 0.000 0.420 232 A N -0.410 122.453 122.820 0.071 0.000 1.969 232 A HA -0.084 4.249 4.320 0.021 0.000 0.218 232 A C 2.227 179.858 177.584 0.079 0.000 1.169 232 A CA 1.682 53.816 52.037 0.162 0.000 0.635 232 A CB -0.602 18.464 19.000 0.109 0.000 0.810 232 A HN 0.414 nan 8.150 nan 0.000 0.445 233 S N 0.165 115.881 115.700 0.026 0.000 2.447 233 S HA -0.073 4.410 4.470 0.021 0.000 0.233 233 S C 0.931 175.549 174.600 0.029 0.000 1.006 233 S CA 0.412 58.623 58.200 0.019 0.000 0.957 233 S CB -0.483 62.716 63.200 -0.002 0.000 0.773 233 S HN 0.674 nan 8.310 nan 0.000 0.507 234 N N 2.308 121.032 118.700 0.040 0.000 2.416 234 N HA 0.014 4.766 4.740 0.021 0.000 0.265 234 N C 0.798 176.335 175.510 0.045 0.000 1.195 234 N CA 0.079 53.152 53.050 0.039 0.000 0.943 234 N CB 0.427 38.940 38.487 0.044 0.000 1.115 234 N HN 0.029 nan 8.380 nan 0.000 0.481 235 E N 1.980 122.202 120.200 0.035 0.000 2.274 235 E HA -0.124 4.239 4.350 0.021 0.000 0.194 235 E C 0.420 177.041 176.600 0.035 0.000 0.996 235 E CA 0.643 57.064 56.400 0.035 0.000 0.840 235 E CB 0.109 29.826 29.700 0.028 0.000 0.772 235 E HN 0.668 nan 8.360 nan 0.000 0.491 236 D N 1.066 121.485 120.400 0.033 0.000 2.218 236 D HA -0.121 4.532 4.640 0.021 0.000 0.204 236 D C 0.442 176.763 176.300 0.035 0.000 0.976 236 D CA 0.974 54.992 54.000 0.030 0.000 0.853 236 D CB 0.083 40.899 40.800 0.026 0.000 0.939 236 D HN 0.289 nan 8.370 nan 0.000 0.481 237 E N -0.049 120.177 120.200 0.043 0.000 3.575 237 E HA 0.108 4.471 4.350 0.021 0.000 0.201 237 E C -0.162 176.471 176.600 0.056 0.000 0.999 237 E CA -0.323 56.104 56.400 0.045 0.000 1.315 237 E CB 1.107 30.831 29.700 0.041 0.000 1.146 237 E HN 0.017 nan 8.360 nan 0.000 0.453 238 R N 1.732 122.266 120.500 0.058 0.000 2.442 238 R HA 0.238 4.591 4.340 0.021 0.000 0.291 238 R C -0.463 175.884 176.300 0.078 0.000 1.069 238 R CA -0.022 56.118 56.100 0.067 0.000 1.022 238 R CB 0.480 30.814 30.300 0.057 0.000 0.976 238 R HN 0.138 nan 8.270 nan 0.000 0.443 239 L N 5.379 126.666 121.223 0.106 0.000 2.400 239 L HA 0.496 4.849 4.340 0.021 0.000 0.264 239 L C -1.872 175.081 176.870 0.138 0.000 1.061 239 L CA -2.586 52.349 54.840 0.157 0.000 0.799 239 L CB 1.193 43.415 42.059 0.271 0.000 1.240 239 L HN 0.565 nan 8.230 nan 0.000 0.461 240 P HA 0.075 nan 4.420 nan 0.000 0.269 240 P C -2.414 174.909 177.300 0.040 0.000 1.215 240 P CA -0.926 62.209 63.100 0.060 0.000 0.780 240 P CB -0.092 31.629 31.700 0.034 0.000 0.898 241 P HA 0.069 nan 4.420 nan 0.000 0.230 241 P C 0.752 178.043 177.300 -0.016 0.000 1.791 241 P CA 0.028 63.146 63.100 0.030 0.000 1.020 241 P CB -0.318 31.390 31.700 0.014 0.000 1.977 242 I N 1.034 121.550 120.570 -0.089 0.000 2.315 242 I HA -0.176 4.007 4.170 0.021 0.000 0.251 242 I C 2.483 178.451 176.117 -0.250 0.000 1.125 242 I CA 1.583 62.707 61.300 -0.294 0.000 1.392 242 I CB -1.969 35.486 38.000 -0.909 0.000 1.065 242 I HN 0.205 nan 8.210 nan 0.000 0.424 243 G N 0.911 109.773 108.800 0.103 0.000 2.485 243 G HA2 -0.236 3.736 3.960 0.021 0.000 0.221 243 G HA3 -0.236 3.736 3.960 0.021 0.000 0.221 243 G C 1.843 176.562 174.900 -0.302 0.000 1.115 243 G CA 0.231 45.314 45.100 -0.028 0.000 0.751 243 G HN 0.346 nan 8.290 nan 0.000 0.567 244 L N -0.052 121.059 121.223 -0.187 0.000 2.081 244 L HA -0.081 4.272 4.340 0.021 0.000 0.212 244 L C 2.824 179.479 176.870 -0.358 0.000 1.080 244 L CA 0.942 55.665 54.840 -0.195 0.000 0.754 244 L CB -0.165 41.821 42.059 -0.123 0.000 0.893 244 L HN 0.276 nan 8.230 nan 0.000 0.433 245 L N -0.755 120.151 121.223 -0.527 0.000 2.191 245 L HA -0.196 4.157 4.340 0.021 0.000 0.212 245 L C 2.550 178.704 176.870 -1.193 0.000 1.103 245 L CA 1.696 56.120 54.840 -0.693 0.000 0.769 245 L CB -1.008 40.647 42.059 -0.673 0.000 0.908 245 L HN 0.438 nan 8.230 nan 0.000 0.438 246 T N -3.914 109.773 114.554 -1.444 0.000 3.072 246 T HA -0.077 4.286 4.350 0.021 0.000 0.266 246 T C 1.809 176.111 174.700 -0.663 0.000 1.127 246 T CA 0.880 62.120 62.100 -1.434 0.000 1.107 246 T CB -0.242 67.876 68.868 -1.249 0.000 0.910 246 T HN 0.418 nan 8.240 nan 0.000 0.513 247 S N -0.384 115.028 115.700 -0.480 0.000 2.558 247 S HA 0.123 4.605 4.470 0.021 0.000 0.217 247 S C 0.563 174.954 174.600 -0.350 0.000 0.975 247 S CA -0.458 57.485 58.200 -0.428 0.000 0.912 247 S CB -0.206 62.831 63.200 -0.271 0.000 0.776 247 S HN 0.455 nan 8.310 nan 0.000 0.526 248 D N 1.720 121.941 120.400 -0.299 0.000 2.451 248 D HA 0.474 5.126 4.640 0.021 0.000 0.259 248 D C 0.719 176.947 176.300 -0.120 0.000 1.201 248 D CA 0.123 54.016 54.000 -0.180 0.000 1.028 248 D CB 1.042 41.766 40.800 -0.127 0.000 1.095 248 D HN 0.295 nan 8.370 nan 0.000 0.539 249 G N 0.599 109.350 108.800 -0.081 0.000 2.474 249 G HA2 -0.057 3.915 3.960 0.021 0.000 0.233 249 G HA3 -0.057 3.915 3.960 0.021 0.000 0.233 249 G C 1.048 175.949 174.900 0.000 0.000 1.278 249 G CA -0.293 44.773 45.100 -0.056 0.000 0.861 249 G HN 0.367 nan 8.290 nan 0.000 0.567 250 R N 1.550 122.051 120.500 0.002 0.000 2.105 250 R HA -0.082 4.270 4.340 0.021 0.000 0.239 250 R C 2.741 179.059 176.300 0.030 0.000 1.135 250 R CA 1.417 57.542 56.100 0.042 0.000 0.967 250 R CB -1.079 29.221 30.300 0.000 0.000 0.861 250 R HN 0.470 nan 8.270 nan 0.000 0.442 251 S N 0.971 116.671 115.700 -0.000 0.000 2.387 251 S HA -0.072 4.411 4.470 0.021 0.000 0.226 251 S C 1.676 176.270 174.600 -0.010 0.000 1.026 251 S CA 0.962 59.159 58.200 -0.006 0.000 0.972 251 S CB 0.049 63.243 63.200 -0.009 0.000 0.814 251 S HN 0.284 nan 8.310 nan 0.000 0.477 252 E N 0.766 120.963 120.200 -0.006 0.000 2.047 252 E HA -0.094 4.269 4.350 0.021 0.000 0.191 252 E C 1.526 178.139 176.600 0.022 0.000 0.987 252 E CA 0.873 57.253 56.400 -0.033 0.000 0.799 252 E CB -0.319 29.357 29.700 -0.040 0.000 0.752 252 E HN 0.686 nan 8.360 nan 0.000 0.449 253 W N 0.916 122.127 121.300 -0.147 0.000 2.363 253 W HA -0.190 4.483 4.660 0.021 0.000 0.296 253 W C 1.938 178.401 176.519 -0.093 0.000 1.212 253 W CA 1.068 58.329 57.345 -0.141 0.000 1.260 253 W CB 0.032 29.407 29.460 -0.142 0.000 1.131 253 W HN 0.150 nan 8.180 nan 0.000 0.530 254 A N 0.857 123.576 122.820 -0.169 0.000 1.933 254 A HA -0.243 4.090 4.320 0.021 0.000 0.218 254 A C 2.017 179.480 177.584 -0.201 0.000 1.175 254 A CA 1.891 53.761 52.037 -0.278 0.000 0.628 254 A CB -0.889 18.039 19.000 -0.121 0.000 0.814 254 A HN 0.353 nan 8.150 nan 0.000 0.444 255 K N -0.376 119.949 120.400 -0.125 0.000 2.001 255 K HA -0.047 4.286 4.320 0.021 0.000 0.208 255 K C 2.241 178.773 176.600 -0.114 0.000 1.048 255 K CA 1.134 57.356 56.287 -0.109 0.000 0.932 255 K CB -0.341 32.088 32.500 -0.118 0.000 0.715 255 K HN 0.338 nan 8.250 nan 0.000 0.437 256 A N 1.728 124.447 122.820 -0.169 0.000 1.908 256 A HA -0.212 4.121 4.320 0.021 0.000 0.218 256 A C 2.161 179.792 177.584 0.078 0.000 1.181 256 A CA 1.749 53.781 52.037 -0.010 0.000 0.627 256 A CB -0.591 18.465 19.000 0.094 0.000 0.818 256 A HN 0.427 nan 8.150 nan 0.000 0.445 257 R N -0.879 119.496 120.500 -0.208 0.000 2.081 257 R HA -0.115 4.238 4.340 0.021 0.000 0.235 257 R C 2.064 178.275 176.300 -0.149 0.000 1.131 257 R CA 1.999 57.850 56.100 -0.416 0.000 0.960 257 R CB -0.618 29.009 30.300 -1.122 0.000 0.856 257 R HN 0.457 nan 8.270 nan 0.000 0.436 258 T N 0.276 114.752 114.554 -0.129 0.000 2.833 258 T HA -0.089 4.273 4.350 0.021 0.000 0.269 258 T C 1.739 176.448 174.700 0.015 0.000 1.054 258 T CA 1.309 63.380 62.100 -0.050 0.000 1.135 258 T CB -0.057 68.783 68.868 -0.048 0.000 0.869 258 T HN 0.046 nan 8.240 nan 0.000 0.466 259 V N 1.145 121.093 119.914 0.056 0.000 2.358 259 V HA -0.087 4.046 4.120 0.021 0.000 0.246 259 V C 2.393 178.548 176.094 0.102 0.000 1.047 259 V CA 1.104 63.462 62.300 0.097 0.000 1.035 259 V CB -0.532 31.394 31.823 0.172 0.000 0.658 259 V HN 0.322 nan 8.190 nan 0.000 0.452 260 L N -0.510 120.788 121.223 0.125 0.000 2.079 260 L HA -0.137 4.216 4.340 0.021 0.000 0.210 260 L C 2.155 179.109 176.870 0.139 0.000 1.081 260 L CA 1.763 56.701 54.840 0.165 0.000 0.752 260 L CB -0.855 41.338 42.059 0.224 0.000 0.896 260 L HN 0.259 nan 8.230 nan 0.000 0.433 261 L N -1.092 120.186 121.223 0.092 0.000 2.549 261 L HA -0.208 4.145 4.340 0.021 0.000 0.230 261 L C 2.200 179.105 176.870 0.057 0.000 1.162 261 L CA 0.688 55.569 54.840 0.068 0.000 0.834 261 L CB -0.519 41.561 42.059 0.034 0.000 0.947 261 L HN 0.286 nan 8.230 nan 0.000 0.452 262 K N -0.595 119.841 120.400 0.060 0.000 2.283 262 K HA -0.076 4.257 4.320 0.021 0.000 0.202 262 K C 0.647 177.277 176.600 0.050 0.000 1.048 262 K CA 0.529 56.845 56.287 0.048 0.000 0.948 262 K CB 0.042 32.570 32.500 0.046 0.000 0.742 262 K HN 0.203 nan 8.250 nan 0.000 0.458 263 D N -0.441 120.000 120.400 0.068 0.000 2.256 263 D HA 0.053 4.705 4.640 0.021 0.000 0.246 263 D C 0.359 176.691 176.300 0.054 0.000 1.042 263 D CA -0.027 54.010 54.000 0.061 0.000 0.841 263 D CB 2.066 42.913 40.800 0.079 0.000 1.223 263 D HN -0.180 nan 8.370 nan 0.000 0.470 264 S N 1.974 117.692 115.700 0.030 0.000 2.400 264 S HA -0.152 4.331 4.470 0.021 0.000 0.232 264 S C 1.630 176.230 174.600 -0.001 0.000 1.025 264 S CA 1.909 60.117 58.200 0.012 0.000 0.993 264 S CB 0.096 63.297 63.200 0.001 0.000 0.808 264 S HN 0.639 nan 8.310 nan 0.000 0.478 265 T N 2.594 117.150 114.554 0.003 0.000 2.777 265 T HA -0.038 4.325 4.350 0.021 0.000 0.266 265 T C 1.704 176.379 174.700 -0.042 0.000 1.040 265 T CA 1.362 63.442 62.100 -0.032 0.000 1.141 265 T CB -0.418 68.440 68.868 -0.016 0.000 0.868 265 T HN 0.461 nan 8.240 nan 0.000 0.444 266 N N 0.952 119.699 118.700 0.077 0.000 2.270 266 N HA -0.003 4.750 4.740 0.021 0.000 0.181 266 N C 1.946 177.534 175.510 0.129 0.000 1.016 266 N CA 0.634 53.807 53.050 0.204 0.000 0.870 266 N CB -0.267 38.446 38.487 0.377 0.000 0.979 266 N HN 0.335 nan 8.380 nan 0.000 0.431 267 R N 0.946 121.489 120.500 0.072 0.000 2.105 267 R HA -0.093 4.260 4.340 0.021 0.000 0.239 267 R C 1.004 177.295 176.300 -0.016 0.000 1.135 267 R CA 1.380 57.504 56.100 0.040 0.000 0.967 267 R CB 0.091 30.405 30.300 0.023 0.000 0.861 267 R HN 0.174 nan 8.270 nan 0.000 0.442 268 D N -0.670 119.693 120.400 -0.061 0.000 2.123 268 D HA -0.070 4.583 4.640 0.021 0.000 0.200 268 D C 1.877 178.073 176.300 -0.174 0.000 0.976 268 D CA 1.176 55.111 54.000 -0.109 0.000 0.831 268 D CB -0.092 40.636 40.800 -0.121 0.000 0.974 268 D HN 0.117 nan 8.370 nan 0.000 0.469 269 S N 0.568 116.109 115.700 -0.264 0.000 2.383 269 S HA -0.033 4.449 4.470 0.021 0.000 0.227 269 S C 2.236 176.683 174.600 -0.253 0.000 1.026 269 S CA 0.414 58.350 58.200 -0.440 0.000 0.981 269 S CB -0.116 62.446 63.200 -1.064 0.000 0.818 269 S HN 0.217 nan 8.310 nan 0.000 0.472 270 L N 1.168 122.368 121.223 -0.039 0.000 2.046 270 L HA -0.151 4.202 4.340 0.021 0.000 0.208 270 L C 2.390 179.198 176.870 -0.104 0.000 1.077 270 L CA 1.432 56.298 54.840 0.043 0.000 0.747 270 L CB -0.575 41.600 42.059 0.193 0.000 0.896 270 L HN 0.267 nan 8.230 nan 0.000 0.432 271 D N -0.293 120.050 120.400 -0.095 0.000 2.123 271 D HA -0.224 4.429 4.640 0.021 0.000 0.196 271 D C 2.266 178.504 176.300 -0.103 0.000 0.992 271 D CA 1.325 55.262 54.000 -0.104 0.000 0.833 271 D CB 0.144 40.900 40.800 -0.073 0.000 0.954 271 D HN 0.020 nan 8.370 nan 0.000 0.455 272 M N 0.030 119.559 119.600 -0.118 0.000 2.117 272 M HA -0.084 4.409 4.480 0.021 0.000 0.262 272 M C 2.377 178.691 176.300 0.023 0.000 1.065 272 M CA 1.052 56.315 55.300 -0.062 0.000 1.114 272 M CB -0.878 31.612 32.600 -0.183 0.000 1.361 272 M HN 0.236 nan 8.290 nan 0.000 0.408 273 I N -0.397 120.071 120.570 -0.170 0.000 2.315 273 I HA -0.247 3.935 4.170 0.021 0.000 0.248 273 I C 1.804 177.800 176.117 -0.202 0.000 1.117 273 I CA 1.097 62.237 61.300 -0.266 0.000 1.404 273 I CB -0.438 37.154 38.000 -0.680 0.000 1.071 273 I HN 0.366 nan 8.210 nan 0.000 0.419 274 E N 0.585 120.595 120.200 -0.317 0.000 2.478 274 E HA -0.065 4.298 4.350 0.021 0.000 0.198 274 E C 1.285 177.786 176.600 -0.166 0.000 1.046 274 E CA 0.369 56.468 56.400 -0.502 0.000 0.870 274 E CB 0.168 29.482 29.700 -0.644 0.000 0.818 274 E HN 0.403 nan 8.360 nan 0.000 0.527 275 R N 0.192 120.659 120.500 -0.055 0.000 2.600 275 R HA 0.151 4.504 4.340 0.021 0.000 0.392 275 R C 0.066 176.299 176.300 -0.112 0.000 1.032 275 R CA -0.255 55.842 56.100 -0.006 0.000 1.139 275 R CB 0.377 30.709 30.300 0.054 0.000 1.400 275 R HN 0.146 nan 8.270 nan 0.000 0.566 276 C N -1.807 117.406 119.300 -0.145 0.000 2.422 276 C HA 0.453 4.926 4.460 0.021 0.000 0.364 276 C C 1.980 176.904 174.990 -0.111 0.000 1.251 276 C CA -0.893 57.907 59.018 -0.364 0.000 2.441 276 C CB 0.365 28.006 27.740 -0.165 0.000 2.393 276 C HN 0.352 nan 8.230 nan 0.000 0.606 277 I N 1.026 121.530 120.570 -0.110 0.000 2.286 277 I HA 0.044 4.226 4.170 0.021 0.000 0.245 277 I C 1.241 177.490 176.117 0.219 0.000 1.104 277 I CA 1.837 63.164 61.300 0.044 0.000 1.397 277 I CB -0.308 37.650 38.000 -0.072 0.000 1.072 277 I HN 1.056 nan 8.210 nan 0.000 0.417 278 C N -2.419 116.992 119.300 0.185 0.000 3.167 278 C HA 0.555 5.027 4.460 0.021 0.000 0.348 278 C C -1.322 173.812 174.990 0.241 0.000 1.394 278 C CA -1.622 57.565 59.018 0.281 0.000 1.204 278 C CB 0.508 28.531 27.740 0.471 0.000 1.467 278 C HN 0.055 nan 8.230 nan 0.000 0.446 279 L N 1.131 122.514 121.223 0.266 0.000 2.325 279 L HA 0.844 5.197 4.340 0.021 0.000 0.278 279 L C -0.445 176.610 176.870 0.309 0.000 1.023 279 L CA -0.289 54.704 54.840 0.255 0.000 0.811 279 L CB 1.919 44.115 42.059 0.228 0.000 1.249 279 L HN 0.755 nan 8.230 nan 0.000 0.431 280 V N 2.375 122.449 119.914 0.266 0.000 2.443 280 V HA 0.315 4.448 4.120 0.021 0.000 0.293 280 V C -0.906 175.307 176.094 0.200 0.000 1.021 280 V CA -0.667 61.786 62.300 0.255 0.000 0.848 280 V CB 1.504 33.442 31.823 0.192 0.000 0.998 280 V HN 0.791 nan 8.190 nan 0.000 0.424 281 C N 6.366 125.774 119.300 0.178 0.000 2.251 281 C HA 0.499 4.972 4.460 0.021 0.000 0.323 281 C C 0.536 175.589 174.990 0.105 0.000 1.241 281 C CA -0.892 58.200 59.018 0.125 0.000 1.601 281 C CB -0.170 27.625 27.740 0.092 0.000 2.251 281 C HN 0.730 nan 8.230 nan 0.000 0.488 282 L N 3.704 124.976 121.223 0.081 0.000 2.387 282 L HA 0.205 4.557 4.340 0.021 0.000 0.267 282 L C -0.059 176.843 176.870 0.052 0.000 1.197 282 L CA 0.168 55.048 54.840 0.067 0.000 1.070 282 L CB -0.623 41.458 42.059 0.036 0.000 1.349 282 L HN 0.623 nan 8.230 nan 0.000 0.422 283 D N 1.588 122.024 120.400 0.061 0.000 2.382 283 D HA 0.272 4.925 4.640 0.021 0.000 0.240 283 D C 0.631 176.964 176.300 0.055 0.000 1.146 283 D CA 0.231 54.261 54.000 0.051 0.000 0.897 283 D CB 1.351 42.180 40.800 0.049 0.000 1.197 283 D HN 0.439 nan 8.370 nan 0.000 0.432 284 G N 0.584 109.413 108.800 0.047 0.000 2.562 284 G HA2 0.438 4.410 3.960 0.021 0.000 0.275 284 G HA3 0.438 4.410 3.960 0.021 0.000 0.275 284 G C -2.392 172.545 174.900 0.061 0.000 1.196 284 G CA -0.987 44.143 45.100 0.050 0.000 0.908 284 G HN 0.278 nan 8.290 nan 0.000 0.524 285 P HA 0.269 nan 4.420 nan 0.000 0.269 285 P C 0.451 177.798 177.300 0.077 0.000 1.209 285 P CA 0.106 63.246 63.100 0.068 0.000 0.776 285 P CB 1.090 32.824 31.700 0.058 0.000 0.876 286 G N 0.388 109.248 108.800 0.099 0.000 2.820 286 G HA2 0.681 4.654 3.960 0.021 0.000 0.291 286 G HA3 0.681 4.654 3.960 0.021 0.000 0.291 286 G C -0.896 174.074 174.900 0.117 0.000 1.323 286 G CA -0.538 44.649 45.100 0.145 0.000 1.055 286 G HN 0.549 nan 8.290 nan 0.000 0.520 287 T N -3.568 111.084 114.554 0.163 0.000 2.924 287 T HA 0.775 5.138 4.350 0.021 0.000 0.291 287 T C 0.397 175.149 174.700 0.087 0.000 1.045 287 T CA 0.311 62.469 62.100 0.097 0.000 1.015 287 T CB 1.480 70.401 68.868 0.089 0.000 1.103 287 T HN 2.459 nan 8.240 nan 0.000 0.496 288 G N 0.667 109.472 108.800 0.008 0.000 2.757 288 G HA2 -0.055 3.917 3.960 0.021 0.000 0.638 288 G HA3 -0.055 3.917 3.960 0.021 0.000 0.638 288 G C -0.544 174.258 174.900 -0.163 0.000 1.344 288 G CA -0.354 44.730 45.100 -0.026 0.000 0.855 288 G HN 1.149 nan 8.290 nan 0.000 0.537 289 E N -0.640 119.487 120.200 -0.122 0.000 2.384 289 E HA 0.305 4.668 4.350 0.021 0.000 0.266 289 E C 0.786 177.210 176.600 -0.295 0.000 1.012 289 E CA -0.506 55.811 56.400 -0.139 0.000 0.901 289 E CB 0.201 29.876 29.700 -0.042 0.000 0.967 289 E HN 0.449 nan 8.360 nan 0.000 0.435 290 L N 5.030 126.104 121.223 -0.248 0.000 2.727 290 L HA 0.119 4.471 4.340 0.021 0.000 0.237 290 L C 0.502 177.351 176.870 -0.035 0.000 1.370 290 L CA -0.519 54.180 54.840 -0.236 0.000 1.248 290 L CB -0.688 41.270 42.059 -0.169 0.000 1.556 290 L HN 0.423 nan 8.230 nan 0.000 0.420 291 S N -2.743 112.976 115.700 0.032 0.000 2.600 291 S HA 0.098 4.580 4.470 0.021 0.000 0.265 291 S C 0.843 175.550 174.600 0.179 0.000 1.325 291 S CA -0.729 57.530 58.200 0.097 0.000 1.002 291 S CB 1.427 64.688 63.200 0.101 0.000 0.921 291 S HN 0.299 nan 8.310 nan 0.000 0.554 292 D N 1.452 121.964 120.400 0.187 0.000 2.149 292 D HA -0.092 4.560 4.640 0.021 0.000 0.194 292 D C 1.941 178.467 176.300 0.376 0.000 1.001 292 D CA 2.012 56.199 54.000 0.312 0.000 0.849 292 D CB -0.909 40.012 40.800 0.202 0.000 0.939 292 D HN 0.716 nan 8.370 nan 0.000 0.449 293 T N -0.403 114.322 114.554 0.285 0.000 2.708 293 T HA -0.191 4.171 4.350 0.021 0.000 0.266 293 T C 1.766 176.657 174.700 0.318 0.000 1.037 293 T CA 1.213 63.521 62.100 0.347 0.000 1.146 293 T CB -0.372 68.639 68.868 0.238 0.000 0.865 293 T HN 0.325 nan 8.240 nan 0.000 0.435 294 H N 1.713 120.882 119.070 0.165 0.000 2.352 294 H HA 0.005 4.574 4.556 0.021 0.000 0.299 294 H C 2.387 177.762 175.328 0.079 0.000 1.097 294 H CA 1.581 57.698 56.048 0.114 0.000 1.311 294 H CB -0.072 29.741 29.762 0.085 0.000 1.377 294 H HN 0.256 nan 8.280 nan 0.000 0.504 295 R N -0.100 120.571 120.500 0.285 0.000 2.115 295 R HA -0.020 4.333 4.340 0.021 0.000 0.230 295 R C 2.610 178.920 176.300 0.017 0.000 1.111 295 R CA 0.847 57.040 56.100 0.154 0.000 0.976 295 R CB -0.108 30.270 30.300 0.129 0.000 0.870 295 R HN 0.325 nan 8.270 nan 0.000 0.445 296 A N 1.231 124.103 122.820 0.088 0.000 1.873 296 A HA -0.115 4.218 4.320 0.021 0.000 0.215 296 A C 2.128 179.558 177.584 -0.256 0.000 1.186 296 A CA 1.008 53.026 52.037 -0.032 0.000 0.616 296 A CB -0.512 18.601 19.000 0.188 0.000 0.823 296 A HN 0.168 nan 8.150 nan 0.000 0.442 297 L N -0.756 120.327 121.223 -0.234 0.000 2.042 297 L HA -0.285 4.068 4.340 0.021 0.000 0.210 297 L C 2.917 179.492 176.870 -0.493 0.000 1.076 297 L CA 2.023 56.613 54.840 -0.417 0.000 0.749 297 L CB -0.586 41.355 42.059 -0.198 0.000 0.893 297 L HN 0.631 nan 8.230 nan 0.000 0.432 298 Q N -0.167 119.467 119.800 -0.277 0.000 2.119 298 Q HA -0.194 4.159 4.340 0.021 0.000 0.201 298 Q C 2.307 178.218 176.000 -0.150 0.000 0.972 298 Q CA 1.154 56.856 55.803 -0.168 0.000 0.847 298 Q CB 0.147 28.821 28.738 -0.105 0.000 0.903 298 Q HN 0.393 nan 8.270 nan 0.000 0.433 299 L N 0.426 121.539 121.223 -0.183 0.000 2.156 299 L HA -0.091 4.262 4.340 0.021 0.000 0.208 299 L C 2.209 178.989 176.870 -0.150 0.000 1.095 299 L CA 1.170 55.911 54.840 -0.164 0.000 0.770 299 L CB -0.768 41.169 42.059 -0.203 0.000 0.914 299 L HN 0.400 nan 8.230 nan 0.000 0.439 300 L N -0.689 120.381 121.223 -0.256 0.000 2.109 300 L HA -0.188 4.165 4.340 0.021 0.000 0.207 300 L C 1.675 178.505 176.870 -0.068 0.000 1.086 300 L CA 1.242 55.947 54.840 -0.226 0.000 0.760 300 L CB -0.245 41.573 42.059 -0.402 0.000 0.910 300 L HN 0.529 nan 8.230 nan 0.000 0.437 301 H N -3.959 115.115 119.070 0.008 0.000 3.566 301 H HA 0.339 4.908 4.556 0.021 0.000 0.259 301 H C 1.075 176.432 175.328 0.049 0.000 1.184 301 H CA -0.288 55.789 56.048 0.049 0.000 1.107 301 H CB -0.308 29.450 29.762 -0.006 0.000 1.726 301 H HN 0.061 nan 8.280 nan 0.000 0.743 302 G N 0.558 109.488 108.800 0.216 0.000 2.196 302 G HA2 -0.154 3.819 3.960 0.021 0.000 0.268 302 G HA3 -0.154 3.819 3.960 0.021 0.000 0.268 302 G C 1.523 176.530 174.900 0.179 0.000 0.975 302 G CA 1.197 46.387 45.100 0.150 0.000 0.648 302 G HN 1.676 nan 8.290 nan 0.000 0.538 303 G N -1.574 107.454 108.800 0.379 0.000 2.141 303 G HA2 0.453 4.426 3.960 0.021 0.000 0.242 303 G HA3 0.453 4.426 3.960 0.021 0.000 0.242 303 G C 1.494 176.391 174.900 -0.006 0.000 0.982 303 G CA 0.596 45.791 45.100 0.157 0.000 0.662 303 G HN 2.967 nan 8.290 nan 0.000 0.527 304 G N -2.430 106.355 108.800 -0.025 0.000 2.663 304 G HA2 0.181 4.153 3.960 0.021 0.000 0.686 304 G HA3 0.181 4.153 3.960 0.021 0.000 0.686 304 G C 1.419 176.313 174.900 -0.009 0.000 1.288 304 G CA 0.756 45.822 45.100 -0.055 0.000 0.836 304 G HN 1.979 nan 8.290 nan 0.000 0.584 305 C N -0.633 118.656 119.300 -0.019 0.000 2.430 305 C HA 0.274 4.747 4.460 0.021 0.000 0.288 305 C C 2.846 177.836 174.990 0.000 0.000 1.448 305 C CA 1.723 60.737 59.018 -0.007 0.000 1.784 305 C CB -1.594 26.135 27.740 -0.019 0.000 1.776 305 C HN 1.999 nan 8.230 nan 0.000 0.547 306 S N -0.646 115.053 115.700 -0.001 0.000 2.575 306 S HA 0.317 4.800 4.470 0.021 0.000 0.215 306 S C 1.016 175.625 174.600 0.016 0.000 0.966 306 S CA 0.168 58.371 58.200 0.006 0.000 0.911 306 S CB -0.277 62.925 63.200 0.003 0.000 0.780 306 S HN 0.742 nan 8.310 nan 0.000 0.514 307 L N 0.107 121.343 121.223 0.021 0.000 3.192 307 L HA 0.471 4.823 4.340 0.021 0.000 0.200 307 L C 1.177 178.067 176.870 0.034 0.000 1.356 307 L CA -0.360 54.499 54.840 0.032 0.000 2.253 307 L CB -0.131 41.952 42.059 0.040 0.000 2.210 307 L HN 0.099 nan 8.230 nan 0.000 0.943 308 N N 0.026 118.752 118.700 0.043 0.000 2.171 308 N HA 0.078 4.831 4.740 0.021 0.000 0.212 308 N C 1.340 176.883 175.510 0.054 0.000 1.184 308 N CA 0.622 53.698 53.050 0.043 0.000 0.888 308 N CB 1.076 39.589 38.487 0.042 0.000 1.038 308 N HN 0.444 nan 8.380 nan 0.000 0.517 309 G N 0.880 109.718 108.800 0.064 0.000 2.462 309 G HA2 -0.192 3.781 3.960 0.021 0.000 0.220 309 G HA3 -0.192 3.781 3.960 0.021 0.000 0.220 309 G C 1.363 176.312 174.900 0.082 0.000 1.121 309 G CA 1.070 46.222 45.100 0.086 0.000 0.758 309 G HN 0.353 nan 8.290 nan 0.000 0.559 310 A N 0.062 122.912 122.820 0.049 0.000 2.195 310 A HA 0.219 4.551 4.320 0.021 0.000 0.210 310 A C 1.510 179.138 177.584 0.073 0.000 1.165 310 A CA 0.246 52.313 52.037 0.049 0.000 0.806 310 A CB -0.084 18.930 19.000 0.023 0.000 0.847 310 A HN 0.283 nan 8.150 nan 0.000 0.482 311 N N 1.315 120.039 118.700 0.040 0.000 3.111 311 N HA 0.082 4.835 4.740 0.021 0.000 0.302 311 N C -0.242 175.315 175.510 0.078 0.000 1.317 311 N CA 0.170 53.225 53.050 0.008 0.000 1.151 311 N CB -0.229 38.255 38.487 -0.006 0.000 1.456 311 N HN 0.240 nan 8.380 nan 0.000 0.547 312 R N -0.358 120.248 120.500 0.176 0.000 2.795 312 R HA 0.379 4.732 4.340 0.021 0.000 0.268 312 R C -1.446 175.017 176.300 0.270 0.000 1.041 312 R CA -0.628 55.526 56.100 0.090 0.000 0.927 312 R CB 1.088 31.229 30.300 -0.265 0.000 1.235 312 R HN 0.239 nan 8.270 nan 0.000 0.463 313 W N 2.085 123.299 121.300 -0.142 0.000 2.320 313 W HA 0.188 4.861 4.660 0.021 0.000 0.287 313 W C -0.745 175.686 176.519 -0.145 0.000 1.041 313 W CA -0.537 56.755 57.345 -0.089 0.000 1.148 313 W CB 0.320 29.759 29.460 -0.035 0.000 1.046 313 W HN 0.688 nan 8.180 nan 0.000 0.295 314 Y N 1.123 121.331 120.300 -0.152 0.000 2.483 314 Y HA -0.195 4.367 4.550 0.021 0.000 0.291 314 Y C 1.944 177.783 175.900 -0.102 0.000 1.143 314 Y CA 1.479 59.508 58.100 -0.119 0.000 1.289 314 Y CB -0.052 38.295 38.460 -0.189 0.000 0.983 314 Y HN 0.105 nan 8.280 nan 0.000 0.556 315 D N -0.009 120.409 120.400 0.030 0.000 2.269 315 D HA -0.071 4.581 4.640 0.021 0.000 0.208 315 D C 0.840 177.002 176.300 -0.231 0.000 0.963 315 D CA 0.889 54.791 54.000 -0.163 0.000 0.864 315 D CB -0.061 40.558 40.800 -0.301 0.000 0.936 315 D HN 0.034 nan 8.370 nan 0.000 0.505 316 K N 0.399 120.873 120.400 0.123 0.000 2.276 316 K HA 0.180 4.512 4.320 0.021 0.000 0.283 316 K C 1.041 177.686 176.600 0.076 0.000 1.044 316 K CA -0.070 56.320 56.287 0.171 0.000 0.944 316 K CB 0.955 33.630 32.500 0.292 0.000 1.012 316 K HN -0.307 nan 8.250 nan 0.000 0.472 317 S N 2.922 118.669 115.700 0.077 0.000 2.359 317 S HA -0.117 4.365 4.470 0.021 0.000 0.223 317 S C 0.453 175.091 174.600 0.064 0.000 1.039 317 S CA 1.120 59.351 58.200 0.051 0.000 1.042 317 S CB -0.314 62.979 63.200 0.156 0.000 0.915 317 S HN 0.518 nan 8.310 nan 0.000 0.439 318 L N 1.265 122.527 121.223 0.065 0.000 2.356 318 L HA 0.463 4.816 4.340 0.021 0.000 0.277 318 L C -0.606 176.195 176.870 -0.115 0.000 0.996 318 L CA -0.306 54.477 54.840 -0.096 0.000 0.822 318 L CB 1.704 43.666 42.059 -0.161 0.000 1.256 318 L HN 0.078 nan 8.230 nan 0.000 0.413 319 Q N 3.648 123.312 119.800 -0.226 0.000 2.401 319 Q HA 0.427 4.780 4.340 0.021 0.000 0.260 319 Q C -1.348 174.544 176.000 -0.180 0.000 1.034 319 Q CA -0.427 55.310 55.803 -0.110 0.000 0.737 319 Q CB 1.806 30.484 28.738 -0.100 0.000 1.227 319 Q HN 0.400 nan 8.270 nan 0.000 0.488 320 F N 1.360 121.355 119.950 0.075 0.000 2.438 320 F HA 0.249 4.789 4.527 0.021 0.000 0.356 320 F C 0.334 176.166 175.800 0.054 0.000 1.099 320 F CA -0.616 57.427 58.000 0.071 0.000 1.185 320 F CB 0.857 39.944 39.000 0.146 0.000 1.115 320 F HN 0.135 nan 8.300 nan 0.000 0.526 321 V N 4.814 124.819 119.914 0.152 0.000 2.370 321 V HA 0.392 4.524 4.120 0.021 0.000 0.283 321 V C -0.451 175.724 176.094 0.135 0.000 1.023 321 V CA -0.718 61.637 62.300 0.093 0.000 0.857 321 V CB 1.631 33.443 31.823 -0.019 0.000 0.985 321 V HN 0.478 nan 8.190 nan 0.000 0.443 322 V N 4.758 124.776 119.914 0.173 0.000 2.327 322 V HA 0.543 4.676 4.120 0.021 0.000 0.272 322 V C 0.748 176.948 176.094 0.177 0.000 1.019 322 V CA -0.434 61.997 62.300 0.220 0.000 0.814 322 V CB 1.273 33.279 31.823 0.306 0.000 1.040 322 V HN 0.911 nan 8.190 nan 0.000 0.440 323 G N 2.165 111.050 108.800 0.141 0.000 2.476 323 G HA2 0.382 4.355 3.960 0.021 0.000 0.269 323 G HA3 0.382 4.355 3.960 0.021 0.000 0.269 323 G C 0.701 175.731 174.900 0.217 0.000 1.195 323 G CA -0.401 44.776 45.100 0.129 0.000 0.843 323 G HN 0.655 nan 8.290 nan 0.000 0.545 324 R N 0.608 121.209 120.500 0.168 0.000 2.091 324 R HA -0.148 4.204 4.340 0.021 0.000 0.238 324 R C 1.793 178.239 176.300 0.243 0.000 1.136 324 R CA 2.352 58.570 56.100 0.197 0.000 0.959 324 R CB -0.280 30.085 30.300 0.110 0.000 0.856 324 R HN 0.634 nan 8.270 nan 0.000 0.437 325 D N -2.011 118.462 120.400 0.122 0.000 2.349 325 D HA 0.144 4.797 4.640 0.021 0.000 0.224 325 D C 0.989 177.226 176.300 -0.105 0.000 1.029 325 D CA 0.716 54.740 54.000 0.041 0.000 0.879 325 D CB 0.067 40.877 40.800 0.016 0.000 0.906 325 D HN 0.418 nan 8.370 nan 0.000 0.528 326 G N -0.789 107.898 108.800 -0.189 0.000 2.179 326 G HA2 -0.234 3.739 3.960 0.021 0.000 0.220 326 G HA3 -0.234 3.739 3.960 0.021 0.000 0.220 326 G C 0.297 174.971 174.900 -0.378 0.000 0.990 326 G CA 0.047 44.781 45.100 -0.610 0.000 0.646 326 G HN 0.385 nan 8.290 nan 0.000 0.517 327 T N 1.361 115.819 114.554 -0.160 0.000 2.752 327 T HA 0.489 4.852 4.350 0.021 0.000 0.295 327 T C 0.203 174.841 174.700 -0.103 0.000 0.923 327 T CA 0.514 62.553 62.100 -0.102 0.000 1.112 327 T CB 0.947 69.809 68.868 -0.010 0.000 0.884 327 T HN 0.482 nan 8.240 nan 0.000 0.525 328 C N 2.744 121.961 119.300 -0.139 0.000 2.802 328 C HA 1.027 5.499 4.460 0.021 0.000 0.307 328 C C 0.881 175.617 174.990 -0.423 0.000 1.222 328 C CA -0.475 58.467 59.018 -0.127 0.000 1.580 328 C CB 1.456 29.205 27.740 0.015 0.000 2.119 328 C HN 1.168 nan 8.230 nan 0.000 0.479 329 G N 0.160 108.536 108.800 -0.705 0.000 2.336 329 G HA2 0.530 4.503 3.960 0.021 0.000 0.286 329 G HA3 0.530 4.503 3.960 0.021 0.000 0.286 329 G C -2.162 172.304 174.900 -0.724 0.000 1.269 329 G CA -0.217 44.079 45.100 -1.340 0.000 0.873 329 G HN 0.907 nan 8.290 nan 0.000 0.494 330 V N -0.182 119.404 119.914 -0.547 0.000 2.733 330 V HA 0.690 4.823 4.120 0.021 0.000 0.306 330 V C -0.437 175.501 176.094 -0.260 0.000 1.084 330 V CA -0.795 61.293 62.300 -0.354 0.000 0.905 330 V CB 1.298 32.910 31.823 -0.352 0.000 1.010 330 V HN 1.337 nan 8.190 nan 0.000 0.424 331 V N 5.552 125.333 119.914 -0.221 0.000 2.435 331 V HA 0.836 4.969 4.120 0.021 0.000 0.290 331 V C -0.124 175.895 176.094 -0.124 0.000 1.030 331 V CA -0.174 62.045 62.300 -0.135 0.000 0.881 331 V CB 1.213 32.980 31.823 -0.093 0.000 0.983 331 V HN 1.311 nan 8.190 nan 0.000 0.445 332 C N 5.007 124.261 119.300 -0.077 0.000 2.802 332 C HA 0.681 5.154 4.460 0.021 0.000 0.307 332 C C -0.367 174.561 174.990 -0.103 0.000 1.222 332 C CA -0.704 58.271 59.018 -0.072 0.000 1.580 332 C CB 1.803 29.540 27.740 -0.005 0.000 2.119 332 C HN 0.945 nan 8.230 nan 0.000 0.479 333 E N 1.256 121.363 120.200 -0.155 0.000 2.223 333 E HA 0.101 4.464 4.350 0.021 0.000 0.282 333 E C 0.576 176.906 176.600 -0.451 0.000 1.046 333 E CA 0.214 56.481 56.400 -0.223 0.000 0.857 333 E CB 0.320 29.907 29.700 -0.187 0.000 1.055 333 E HN 0.906 nan 8.360 nan 0.000 0.409 334 H N 3.057 121.798 119.070 -0.549 0.000 2.495 334 H HA -0.082 4.486 4.556 0.021 0.000 0.287 334 H C 1.864 176.587 175.328 -1.008 0.000 1.033 334 H CA 1.515 57.116 56.048 -0.745 0.000 1.307 334 H CB 0.398 29.744 29.762 -0.694 0.000 1.401 334 H HN 0.507 nan 8.280 nan 0.000 0.555 335 S N 0.345 115.559 115.700 -0.810 0.000 2.400 335 S HA -0.059 4.423 4.470 0.021 0.000 0.232 335 S C -0.754 173.706 174.600 -0.233 0.000 1.025 335 S CA 0.865 58.727 58.200 -0.563 0.000 0.993 335 S CB -0.826 62.196 63.200 -0.297 0.000 0.808 335 S HN 0.338 nan 8.310 nan 0.000 0.478 336 P HA 0.304 nan 4.420 nan 0.000 0.234 336 P C -0.037 177.200 177.300 -0.104 0.000 1.175 336 P CA 0.283 63.248 63.100 -0.226 0.000 0.801 336 P CB -0.029 31.541 31.700 -0.216 0.000 0.891 337 F N -3.554 116.386 119.950 -0.017 0.000 2.719 337 F HA 0.536 5.075 4.527 0.021 0.000 0.309 337 F C -1.133 174.624 175.800 -0.072 0.000 1.138 337 F CA -1.663 56.304 58.000 -0.055 0.000 0.943 337 F CB 0.292 39.191 39.000 -0.169 0.000 1.304 337 F HN -0.390 nan 8.300 nan 0.000 0.445 338 D N 0.244 120.768 120.400 0.208 0.000 2.437 338 D HA 0.343 4.996 4.640 0.021 0.000 0.259 338 D C 1.138 177.459 176.300 0.035 0.000 1.118 338 D CA -0.066 54.005 54.000 0.117 0.000 1.017 338 D CB 1.558 42.474 40.800 0.194 0.000 1.120 338 D HN 0.903 nan 8.370 nan 0.000 0.541 339 G N 0.307 109.100 108.800 -0.011 0.000 2.442 339 G HA2 -0.212 3.760 3.960 0.021 0.000 0.219 339 G HA3 -0.212 3.760 3.960 0.021 0.000 0.219 339 G C 1.459 176.358 174.900 -0.002 0.000 1.141 339 G CA 0.437 45.536 45.100 -0.002 0.000 0.763 339 G HN 0.378 nan 8.290 nan 0.000 0.554 340 I N 0.859 121.432 120.570 0.004 0.000 2.163 340 I HA -0.130 4.053 4.170 0.021 0.000 0.243 340 I C 2.945 179.025 176.117 -0.061 0.000 1.085 340 I CA 0.835 62.132 61.300 -0.006 0.000 1.347 340 I CB -1.279 36.727 38.000 0.010 0.000 1.044 340 I HN 0.055 nan 8.210 nan 0.000 0.408 341 V N 0.781 120.599 119.914 -0.160 0.000 2.427 341 V HA -0.227 3.906 4.120 0.021 0.000 0.248 341 V C 2.534 178.409 176.094 -0.365 0.000 1.051 341 V CA 1.236 63.297 62.300 -0.397 0.000 1.048 341 V CB -0.608 30.807 31.823 -0.680 0.000 0.666 341 V HN 0.327 nan 8.190 nan 0.000 0.456 342 L N 0.029 121.083 121.223 -0.282 0.000 2.012 342 L HA -0.122 4.231 4.340 0.021 0.000 0.210 342 L C 2.343 179.129 176.870 -0.141 0.000 1.073 342 L CA 1.960 56.637 54.840 -0.272 0.000 0.748 342 L CB -0.538 41.458 42.059 -0.105 0.000 0.891 342 L HN 0.113 nan 8.230 nan 0.000 0.431 343 V N -0.217 119.659 119.914 -0.063 0.000 2.490 343 V HA -0.245 3.888 4.120 0.021 0.000 0.250 343 V C 2.660 178.751 176.094 -0.005 0.000 1.061 343 V CA 1.552 63.847 62.300 -0.008 0.000 1.064 343 V CB -0.630 31.206 31.823 0.022 0.000 0.670 343 V HN 0.550 nan 8.190 nan 0.000 0.461 344 Q N -1.148 118.653 119.800 0.003 0.000 2.119 344 Q HA -0.182 4.170 4.340 0.021 0.000 0.201 344 Q C 2.440 178.460 176.000 0.033 0.000 0.972 344 Q CA 1.907 57.752 55.803 0.072 0.000 0.847 344 Q CB -1.232 27.623 28.738 0.193 0.000 0.903 344 Q HN 0.733 nan 8.270 nan 0.000 0.433 345 C N 1.188 120.442 119.300 -0.077 0.000 2.453 345 C HA -0.132 4.341 4.460 0.021 0.000 0.277 345 C C 3.033 177.861 174.990 -0.271 0.000 1.262 345 C CA 1.991 60.802 59.018 -0.345 0.000 1.718 345 C CB -1.037 26.453 27.740 -0.417 0.000 2.031 345 C HN 0.728 nan 8.230 nan 0.000 0.480 346 T N -1.232 113.262 114.554 -0.102 0.000 2.788 346 T HA -0.177 4.186 4.350 0.021 0.000 0.268 346 T C 1.606 176.261 174.700 -0.075 0.000 1.044 346 T CA 1.932 64.028 62.100 -0.006 0.000 1.139 346 T CB -0.688 68.251 68.868 0.120 0.000 0.867 346 T HN 0.751 nan 8.240 nan 0.000 0.454 347 E N 0.103 120.271 120.200 -0.053 0.000 2.106 347 E HA -0.191 4.171 4.350 0.021 0.000 0.192 347 E C 2.275 178.833 176.600 -0.069 0.000 0.984 347 E CA 1.092 57.456 56.400 -0.059 0.000 0.806 347 E CB -0.295 29.395 29.700 -0.017 0.000 0.750 347 E HN 0.610 nan 8.360 nan 0.000 0.458 348 H N 1.182 120.154 119.070 -0.163 0.000 2.387 348 H HA -0.076 4.493 4.556 0.021 0.000 0.299 348 H C 2.086 177.244 175.328 -0.283 0.000 1.090 348 H CA 1.149 57.063 56.048 -0.224 0.000 1.332 348 H CB -0.046 29.637 29.762 -0.132 0.000 1.386 348 H HN 0.135 nan 8.280 nan 0.000 0.516 349 L N 0.068 121.271 121.223 -0.034 0.000 2.005 349 L HA -0.179 4.173 4.340 0.021 0.000 0.207 349 L C 2.988 179.792 176.870 -0.111 0.000 1.072 349 L CA 0.815 55.622 54.840 -0.055 0.000 0.744 349 L CB -0.484 41.517 42.059 -0.097 0.000 0.895 349 L HN 0.210 nan 8.230 nan 0.000 0.433 350 L N -0.213 120.908 121.223 -0.170 0.000 2.012 350 L HA -0.249 4.104 4.340 0.021 0.000 0.210 350 L C 2.650 179.451 176.870 -0.115 0.000 1.073 350 L CA 1.524 56.245 54.840 -0.199 0.000 0.748 350 L CB -0.541 41.350 42.059 -0.279 0.000 0.891 350 L HN 0.234 nan 8.230 nan 0.000 0.431 351 K N -0.920 119.419 120.400 -0.103 0.000 2.152 351 K HA -0.174 4.159 4.320 0.021 0.000 0.206 351 K C 1.802 178.432 176.600 0.049 0.000 1.048 351 K CA 1.233 57.490 56.287 -0.050 0.000 0.933 351 K CB -0.236 32.214 32.500 -0.084 0.000 0.721 351 K HN 0.509 nan 8.250 nan 0.000 0.447 352 H N -0.628 118.358 119.070 -0.140 0.000 2.547 352 H HA 0.130 4.699 4.556 0.021 0.000 0.266 352 H C 1.307 176.572 175.328 -0.105 0.000 0.988 352 H CA 0.019 55.996 56.048 -0.118 0.000 1.147 352 H CB 0.224 29.931 29.762 -0.092 0.000 1.365 352 H HN 0.114 nan 8.280 nan 0.000 0.589 353 M N 0.774 120.365 119.600 -0.015 0.000 2.563 353 M HA 0.071 4.564 4.480 0.021 0.000 0.231 353 M C 0.826 177.086 176.300 -0.067 0.000 1.136 353 M CA 0.687 55.931 55.300 -0.093 0.000 1.026 353 M CB 0.378 32.861 32.600 -0.197 0.000 1.597 353 M HN 0.345 nan 8.290 nan 0.000 0.495 354 M N -2.613 116.964 119.600 -0.039 0.000 2.449 354 M HA 0.276 4.768 4.480 0.021 0.000 0.410 354 M C 0.398 176.676 176.300 -0.036 0.000 1.079 354 M CA -0.558 54.725 55.300 -0.028 0.000 0.922 354 M CB -0.210 32.384 32.600 -0.009 0.000 1.676 354 M HN -0.086 nan 8.290 nan 0.000 0.572 355 T N -0.107 114.412 114.554 -0.058 0.000 0.000 355 T HA 0.686 5.049 4.350 0.021 0.000 0.000 355 T C 0.421 175.074 174.700 -0.079 0.000 0.000 355 T CA 0.400 62.446 62.100 -0.091 0.000 0.000 355 T CB 0.650 69.398 68.868 -0.200 0.000 0.000 355 T HN 0.752 nan 8.240 nan 0.000 0.000 356 S N -1.321 nan 115.700 nan 0.000 0.000 356 S HA 0.716 5.199 4.470 0.021 0.000 0.000 356 S C -0.396 nan 174.600 nan 0.000 0.000 356 S CA -0.328 57.832 58.200 -0.066 0.000 0.000 356 S CB -0.326 nan 63.200 nan 0.000 0.000 356 S HN 1.920 nan 8.310 nan 0.000 0.000 357 N N -1.812 nan 118.700 nan 0.000 0.000 357 N HA 1.119 5.872 4.740 0.021 0.000 0.000 357 N C -0.560 nan 175.510 nan 0.000 0.000 357 N CA 0.959 53.980 53.050 -0.048 0.000 0.000 357 N CB -0.168 nan 38.487 nan 0.000 0.000 357 N HN 2.429 nan 8.380 nan 0.000 0.000 358 K N -2.201 nan 120.400 nan 0.000 0.000 358 K HA 1.131 5.463 4.320 0.021 0.000 0.000 358 K C -0.196 nan 176.600 nan 0.000 0.000 358 K CA 1.316 57.587 56.287 -0.027 0.000 0.000 358 K CB -0.376 nan 32.500 nan 0.000 0.000 358 K HN 2.564 nan 8.250 nan 0.000 0.000 359 K N -2.117 nan 120.400 nan 0.000 0.000 359 K HA 1.150 5.483 4.320 0.021 0.000 0.000 359 K C -0.791 nan 176.600 nan 0.000 0.000 359 K CA 0.499 56.770 56.287 -0.026 0.000 0.000 359 K CB -0.600 nan 32.500 nan 0.000 0.000 359 K HN 2.615 nan 8.250 nan 0.000 0.000 360 L N -2.614 nan 121.223 nan 0.000 0.000 360 L HA 1.083 5.436 4.340 0.021 0.000 0.000 360 L C 0.152 nan 176.870 nan 0.000 0.000 360 L CA 0.344 55.173 54.840 -0.018 0.000 0.000 360 L CB -0.417 nan 42.059 nan 0.000 0.000 360 L HN 2.841 nan 8.230 nan 0.000 0.000 361 V N -3.581 nan 119.914 nan 0.000 0.000 361 V HA 1.305 5.438 4.120 0.021 0.000 0.000 361 V C -0.254 nan 176.094 nan 0.000 0.000 361 V CA 0.460 62.746 62.300 -0.023 0.000 0.000 361 V CB 0.801 nan 31.823 nan 0.000 0.000 361 V HN 3.231 nan 8.190 nan 0.000 0.000 362 R N -0.726 nan 120.500 nan 0.000 0.000 362 R HA 1.216 5.569 4.340 0.021 0.000 0.000 362 R C -0.236 nan 176.300 nan 0.000 0.000 362 R CA 0.652 56.737 56.100 -0.025 0.000 0.000 362 R CB 0.047 nan 30.300 nan 0.000 0.000 362 R HN 3.011 nan 8.270 nan 0.000 0.000 363 A N -1.867 nan 122.820 nan 0.000 0.000 363 A HA 0.976 5.309 4.320 0.021 0.000 0.000 363 A C -0.644 nan 177.584 nan 0.000 0.000 363 A CA 1.140 53.171 52.037 -0.011 0.000 0.000 363 A CB -0.281 nan 19.000 nan 0.000 0.000 363 A HN 2.726 nan 8.150 nan 0.000 0.000 364 D N -2.274 nan 120.400 nan 0.000 0.000 364 D HA 1.040 5.693 4.640 0.021 0.000 0.000 364 D C -0.310 nan 176.300 nan 0.000 0.000 364 D CA 0.897 54.901 54.000 0.005 0.000 0.000 364 D CB 0.058 nan 40.800 nan 0.000 0.000 364 D HN 2.630 nan 8.370 nan 0.000 0.000 365 S N -2.301 nan 115.700 nan 0.000 0.000 365 S HA 1.179 5.661 4.470 0.021 0.000 0.000 365 S C -0.344 nan 174.600 nan 0.000 0.000 365 S CA 0.420 58.623 58.200 0.005 0.000 0.000 365 S CB -0.058 nan 63.200 nan 0.000 0.000 365 S HN 2.637 nan 8.310 nan 0.000 0.000 366 V N -2.402 nan 119.914 nan 0.000 0.000 366 V HA 1.167 5.300 4.120 0.021 0.000 0.000 366 V C -0.131 nan 176.094 nan 0.000 0.000 366 V CA 0.535 62.825 62.300 -0.016 0.000 0.000 366 V CB 0.234 nan 31.823 nan 0.000 0.000 366 V HN 2.878 nan 8.190 nan 0.000 0.000 367 S N -0.030 nan 115.700 nan 0.000 0.000 367 S HA 0.926 5.409 4.470 0.021 0.000 0.000 367 S C -0.897 nan 174.600 nan 0.000 0.000 367 S CA 0.572 58.759 58.200 -0.021 0.000 0.000 367 S CB 1.449 nan 63.200 nan 0.000 0.000 367 S HN 2.514 nan 8.310 nan 0.000 0.000 368 E N 0.670 120.858 120.200 -0.021 0.000 0.000 368 E HA 0.478 4.841 4.350 0.021 0.000 0.000 368 E C -2.102 174.481 176.600 -0.027 0.000 0.000 368 E CA -0.153 56.233 56.400 -0.023 0.000 0.000 368 E CB 0.003 29.691 29.700 -0.021 0.000 0.000 368 E HN 0.740 nan 8.360 nan 0.000 0.000 369 L N 4.743 125.949 121.223 -0.028 0.000 2.360 369 L HA 0.686 5.039 4.340 0.021 0.000 0.271 369 L C -1.863 174.991 176.870 -0.028 0.000 1.057 369 L CA -2.188 52.634 54.840 -0.030 0.000 0.803 369 L CB 1.106 43.148 42.059 -0.029 0.000 1.207 369 L HN 0.436 nan 8.230 nan 0.000 0.445 370 P HA 0.095 nan 4.420 nan 0.000 0.271 370 P C -0.696 176.594 177.300 -0.017 0.000 1.216 370 P CA -0.260 62.827 63.100 -0.021 0.000 0.771 370 P CB 0.747 32.434 31.700 -0.023 0.000 0.864 371 A N 5.480 128.292 122.820 -0.013 0.000 2.531 371 A HA 0.272 4.605 4.320 0.021 0.000 0.236 371 A C -1.954 175.639 177.584 0.016 0.000 1.062 371 A CA -0.755 51.277 52.037 -0.007 0.000 0.760 371 A CB -1.247 17.753 19.000 -0.000 0.000 0.995 371 A HN 0.423 nan 8.150 nan 0.000 0.501 372 P HA 0.194 nan 4.420 nan 0.000 0.268 372 P C -0.585 176.818 177.300 0.171 0.000 1.204 372 P CA 0.179 63.326 63.100 0.079 0.000 0.768 372 P CB 0.460 32.192 31.700 0.054 0.000 0.842 373 R N 2.276 122.854 120.500 0.130 0.000 2.368 373 R HA 0.509 4.861 4.340 0.021 0.000 0.302 373 R C 0.070 176.387 176.300 0.028 0.000 1.002 373 R CA -0.964 55.185 56.100 0.081 0.000 0.929 373 R CB 1.307 31.594 30.300 -0.022 0.000 1.073 373 R HN 0.387 nan 8.270 nan 0.000 0.464 374 R N 3.339 123.760 120.500 -0.132 0.000 2.340 374 R HA 0.203 4.556 4.340 0.021 0.000 0.300 374 R C -0.517 175.550 176.300 -0.389 0.000 1.069 374 R CA -0.442 55.315 56.100 -0.571 0.000 0.984 374 R CB 0.640 30.596 30.300 -0.573 0.000 1.003 374 R HN 0.615 nan 8.270 nan 0.000 0.459 375 L N 5.303 126.275 121.223 -0.418 0.000 2.367 375 L HA 0.306 4.658 4.340 0.021 0.000 0.275 375 L C 0.640 177.151 176.870 -0.598 0.000 1.129 375 L CA -0.389 54.166 54.840 -0.474 0.000 0.839 375 L CB 0.750 42.516 42.059 -0.488 0.000 1.133 375 L HN 0.535 nan 8.230 nan 0.000 0.453 376 R N 2.376 122.506 120.500 -0.616 0.000 2.573 376 R HA 0.494 4.846 4.340 0.021 0.000 0.272 376 R C -1.266 174.628 176.300 -0.678 0.000 1.009 376 R CA -0.485 55.331 56.100 -0.473 0.000 1.059 376 R CB 1.490 31.649 30.300 -0.236 0.000 1.112 376 R HN 0.513 nan 8.270 nan 0.000 0.517 377 W N -0.042 121.278 121.300 0.033 0.000 3.032 377 W HA 0.352 5.025 4.660 0.021 0.000 0.335 377 W C -0.210 176.339 176.519 0.050 0.000 1.154 377 W CA -0.849 56.532 57.345 0.060 0.000 1.204 377 W CB 1.446 30.965 29.460 0.099 0.000 1.416 377 W HN 0.197 nan 8.180 nan 0.000 0.521 378 K N 2.104 122.694 120.400 0.316 0.000 2.334 378 K HA 0.504 4.837 4.320 0.021 0.000 0.265 378 K C -1.252 175.457 176.600 0.181 0.000 1.039 378 K CA -0.231 56.168 56.287 0.187 0.000 0.920 378 K CB 0.698 33.280 32.500 0.136 0.000 1.160 378 K HN 0.573 nan 8.250 nan 0.000 0.451 379 C N 4.975 124.362 119.300 0.144 0.000 2.255 379 C HA 0.637 5.110 4.460 0.021 0.000 0.326 379 C C 0.179 175.206 174.990 0.061 0.000 1.258 379 C CA -0.326 58.753 59.018 0.102 0.000 1.676 379 C CB -1.115 26.680 27.740 0.090 0.000 2.314 379 C HN 0.981 nan 8.230 nan 0.000 0.509 380 S N 5.656 121.382 115.700 0.044 0.000 2.745 380 S HA 0.584 5.067 4.470 0.021 0.000 0.292 380 S C -2.055 172.537 174.600 -0.014 0.000 1.133 380 S CA -1.021 57.190 58.200 0.018 0.000 0.998 380 S CB 1.113 64.324 63.200 0.018 0.000 1.087 380 S HN 0.521 nan 8.310 nan 0.000 0.551 381 P HA -0.048 nan 4.420 nan 0.000 0.218 381 P C 0.981 178.220 177.300 -0.101 0.000 1.148 381 P CA 1.216 64.288 63.100 -0.046 0.000 0.822 381 P CB 0.011 31.691 31.700 -0.034 0.000 0.784 382 E N -1.127 118.996 120.200 -0.128 0.000 2.028 382 E HA -0.124 4.239 4.350 0.021 0.000 0.191 382 E C 1.940 178.266 176.600 -0.457 0.000 0.988 382 E CA 1.611 57.844 56.400 -0.279 0.000 0.799 382 E CB -0.847 28.741 29.700 -0.188 0.000 0.755 382 E HN 0.188 nan 8.360 nan 0.000 0.447 383 T N 1.106 115.541 114.554 -0.199 0.000 2.720 383 T HA -0.207 4.155 4.350 0.021 0.000 0.268 383 T C 1.807 176.465 174.700 -0.069 0.000 1.037 383 T CA 1.190 63.245 62.100 -0.074 0.000 1.144 383 T CB -0.157 68.732 68.868 0.034 0.000 0.864 383 T HN 0.120 nan 8.240 nan 0.000 0.444 384 Q N 0.895 120.652 119.800 -0.072 0.000 2.124 384 Q HA -0.096 4.256 4.340 0.021 0.000 0.202 384 Q C 2.525 178.493 176.000 -0.054 0.000 0.977 384 Q CA 1.920 57.697 55.803 -0.043 0.000 0.850 384 Q CB -0.773 27.945 28.738 -0.032 0.000 0.901 384 Q HN 0.589 nan 8.270 nan 0.000 0.429 385 G N -0.661 108.067 108.800 -0.119 0.000 2.402 385 G HA2 -0.243 3.730 3.960 0.021 0.000 0.216 385 G HA3 -0.243 3.730 3.960 0.021 0.000 0.216 385 G C 1.117 176.020 174.900 0.005 0.000 1.162 385 G CA 0.935 45.980 45.100 -0.092 0.000 0.777 385 G HN 0.567 nan 8.290 nan 0.000 0.539 386 H N -0.208 118.863 119.070 0.003 0.000 2.423 386 H HA 0.117 4.685 4.556 0.021 0.000 0.297 386 H C 2.594 177.909 175.328 -0.022 0.000 1.075 386 H CA 0.374 56.423 56.048 0.002 0.000 1.342 386 H CB 0.064 29.843 29.762 0.028 0.000 1.395 386 H HN 0.223 nan 8.280 nan 0.000 0.530 387 L N 0.255 121.527 121.223 0.082 0.000 2.056 387 L HA -0.151 4.202 4.340 0.021 0.000 0.207 387 L C 2.854 179.724 176.870 0.001 0.000 1.078 387 L CA 0.797 55.644 54.840 0.013 0.000 0.749 387 L CB -0.380 41.675 42.059 -0.007 0.000 0.901 387 L HN 0.332 nan 8.230 nan 0.000 0.433 388 A N -0.771 122.053 122.820 0.007 0.000 1.902 388 A HA -0.188 4.144 4.320 0.021 0.000 0.217 388 A C 2.496 180.079 177.584 -0.002 0.000 1.181 388 A CA 2.044 54.080 52.037 -0.002 0.000 0.623 388 A CB -0.575 18.423 19.000 -0.002 0.000 0.818 388 A HN 0.374 nan 8.150 nan 0.000 0.443 389 S N 0.170 115.880 115.700 0.017 0.000 2.348 389 S HA -0.132 4.350 4.470 0.021 0.000 0.221 389 S C 2.318 176.905 174.600 -0.021 0.000 1.033 389 S CA 1.539 59.744 58.200 0.008 0.000 1.010 389 S CB -0.372 62.850 63.200 0.038 0.000 0.891 389 S HN 0.644 nan 8.310 nan 0.000 0.442 390 S N 1.740 117.423 115.700 -0.028 0.000 2.370 390 S HA -0.108 4.375 4.470 0.021 0.000 0.226 390 S C 2.260 176.817 174.600 -0.071 0.000 1.033 390 S CA 1.043 59.202 58.200 -0.069 0.000 1.011 390 S CB -0.592 62.551 63.200 -0.095 0.000 0.852 390 S HN 0.606 nan 8.310 nan 0.000 0.457 391 A N 1.331 124.120 122.820 -0.053 0.000 1.883 391 A HA -0.195 4.138 4.320 0.021 0.000 0.217 391 A C 2.079 179.632 177.584 -0.052 0.000 1.186 391 A CA 1.790 53.797 52.037 -0.050 0.000 0.624 391 A CB -0.651 18.328 19.000 -0.034 0.000 0.822 391 A HN 0.583 nan 8.150 nan 0.000 0.444 392 E N -0.603 119.570 120.200 -0.045 0.000 2.077 392 E HA -0.241 4.122 4.350 0.021 0.000 0.193 392 E C 2.039 178.602 176.600 -0.061 0.000 0.989 392 E CA 1.484 57.856 56.400 -0.046 0.000 0.800 392 E CB -0.068 29.611 29.700 -0.036 0.000 0.746 392 E HN 0.419 nan 8.360 nan 0.000 0.452 393 K N 0.511 120.871 120.400 -0.067 0.000 2.063 393 K HA -0.166 4.166 4.320 0.021 0.000 0.208 393 K C 2.046 178.586 176.600 -0.100 0.000 1.048 393 K CA 0.880 57.117 56.287 -0.083 0.000 0.928 393 K CB -0.458 31.991 32.500 -0.086 0.000 0.713 393 K HN 0.102 nan 8.250 nan 0.000 0.442 394 L N 0.714 121.875 121.223 -0.104 0.000 2.046 394 L HA -0.161 4.191 4.340 0.021 0.000 0.208 394 L C 1.921 178.715 176.870 -0.126 0.000 1.077 394 L CA 1.746 56.514 54.840 -0.119 0.000 0.747 394 L CB -0.569 41.426 42.059 -0.107 0.000 0.896 394 L HN 0.219 nan 8.230 nan 0.000 0.432 395 Q N -0.065 119.673 119.800 -0.103 0.000 2.135 395 Q HA -0.200 4.153 4.340 0.021 0.000 0.204 395 Q C 2.373 178.316 176.000 -0.096 0.000 0.981 395 Q CA 1.590 57.332 55.803 -0.102 0.000 0.856 395 Q CB -0.299 28.396 28.738 -0.070 0.000 0.902 395 Q HN 0.563 nan 8.270 nan 0.000 0.425 396 R N -0.176 120.273 120.500 -0.085 0.000 2.096 396 R HA -0.052 4.301 4.340 0.021 0.000 0.235 396 R C 2.395 178.650 176.300 -0.076 0.000 1.127 396 R CA 1.052 57.106 56.100 -0.075 0.000 0.968 396 R CB -0.317 29.932 30.300 -0.084 0.000 0.861 396 R HN 0.271 nan 8.270 nan 0.000 0.440 397 I N 0.208 120.721 120.570 -0.096 0.000 2.252 397 I HA -0.241 3.942 4.170 0.021 0.000 0.245 397 I C 2.263 178.339 176.117 -0.068 0.000 1.102 397 I CA 1.075 62.334 61.300 -0.069 0.000 1.385 397 I CB -0.245 37.707 38.000 -0.080 0.000 1.064 397 I HN -0.024 nan 8.210 nan 0.000 0.414 398 V N 1.173 120.956 119.914 -0.217 0.000 2.287 398 V HA -0.332 3.801 4.120 0.021 0.000 0.248 398 V C 2.517 178.566 176.094 -0.075 0.000 1.053 398 V CA 2.111 64.184 62.300 -0.378 0.000 1.027 398 V CB -0.708 30.844 31.823 -0.452 0.000 0.646 398 V HN 0.433 nan 8.190 nan 0.000 0.447 399 K N -0.014 120.367 120.400 -0.031 0.000 2.211 399 K HA -0.170 4.163 4.320 0.021 0.000 0.203 399 K C 1.957 178.657 176.600 0.166 0.000 1.050 399 K CA 1.606 57.923 56.287 0.049 0.000 0.945 399 K CB -0.232 32.273 32.500 0.008 0.000 0.732 399 K HN 0.548 nan 8.250 nan 0.000 0.451 400 N N 0.269 119.055 118.700 0.143 0.000 2.416 400 N HA -0.079 4.674 4.740 0.021 0.000 0.177 400 N C -0.091 175.595 175.510 0.294 0.000 1.036 400 N CA -0.163 53.018 53.050 0.218 0.000 0.901 400 N CB 0.161 38.693 38.487 0.076 0.000 0.976 400 N HN 0.043 nan 8.380 nan 0.000 0.444 401 L N 2.069 123.449 121.223 0.261 0.000 2.433 401 L HA 0.088 4.441 4.340 0.021 0.000 0.275 401 L C -0.715 176.208 176.870 0.088 0.000 1.128 401 L CA 0.405 55.375 54.840 0.216 0.000 0.875 401 L CB 0.599 42.814 42.059 0.259 0.000 1.171 401 L HN -0.056 nan 8.230 nan 0.000 0.463 402 D N 5.223 125.540 120.400 -0.139 0.000 2.427 402 D HA 0.253 4.905 4.640 0.021 0.000 0.226 402 D C -1.446 174.886 176.300 0.055 0.000 1.076 402 D CA -0.076 53.768 54.000 -0.261 0.000 0.849 402 D CB 0.282 40.696 40.800 -0.643 0.000 1.052 402 D HN 0.333 nan 8.370 nan 0.000 0.515 403 F N 4.091 124.041 119.950 -0.001 0.000 2.576 403 F HA 0.672 5.211 4.527 0.021 0.000 0.313 403 F C -1.555 174.283 175.800 0.063 0.000 1.078 403 F CA -1.002 57.014 58.000 0.027 0.000 0.921 403 F CB 1.435 40.454 39.000 0.031 0.000 1.232 403 F HN 0.291 nan 8.300 nan 0.000 0.459 404 I N 4.816 124.769 120.570 -1.029 0.000 2.743 404 I HA 0.430 4.613 4.170 0.021 0.000 0.292 404 I C -1.802 173.868 176.117 -0.745 0.000 1.343 404 I CA -0.753 60.177 61.300 -0.617 0.000 1.038 404 I CB 2.101 39.975 38.000 -0.210 0.000 1.311 404 I HN 0.344 nan 8.210 nan 0.000 0.426 405 V N 7.546 127.240 119.914 -0.367 0.000 2.318 405 V HA 0.232 4.365 4.120 0.021 0.000 0.271 405 V C -0.852 175.200 176.094 -0.071 0.000 1.030 405 V CA -0.375 61.773 62.300 -0.253 0.000 0.844 405 V CB 0.748 32.427 31.823 -0.239 0.000 1.015 405 V HN 0.523 nan 8.190 nan 0.000 0.460 406 Y N 4.991 125.218 120.300 -0.121 0.000 2.353 406 Y HA 0.513 5.076 4.550 0.021 0.000 0.340 406 Y C 0.232 176.168 175.900 0.061 0.000 0.972 406 Y CA -0.809 57.278 58.100 -0.022 0.000 1.157 406 Y CB 1.148 39.602 38.460 -0.009 0.000 1.157 406 Y HN 0.519 nan 8.280 nan 0.000 0.495 407 K N 6.897 127.067 120.400 -0.384 0.000 2.281 407 K HA 0.224 4.557 4.320 0.021 0.000 0.272 407 K C -1.515 174.824 176.600 -0.436 0.000 1.048 407 K CA -0.582 55.532 56.287 -0.289 0.000 0.898 407 K CB 0.467 32.845 32.500 -0.204 0.000 1.128 407 K HN 0.580 nan 8.250 nan 0.000 0.460 408 F N 4.530 124.282 119.950 -0.330 0.000 2.375 408 F HA 0.154 4.693 4.527 0.021 0.000 0.362 408 F C 0.296 175.986 175.800 -0.184 0.000 1.129 408 F CA -0.937 56.911 58.000 -0.253 0.000 1.154 408 F CB 0.544 39.561 39.000 0.028 0.000 1.205 408 F HN 0.594 nan 8.300 nan 0.000 0.513 409 D N 1.378 121.417 120.400 -0.601 0.000 2.369 409 D HA 0.017 4.669 4.640 0.021 0.000 0.211 409 D C 0.738 176.692 176.300 -0.576 0.000 1.077 409 D CA 0.291 54.006 54.000 -0.475 0.000 0.842 409 D CB -0.466 40.167 40.800 -0.278 0.000 0.947 409 D HN 0.450 nan 8.370 nan 0.000 0.509 410 N N -0.368 117.714 118.700 -1.029 0.000 2.244 410 N HA 0.027 4.779 4.740 0.021 0.000 0.183 410 N C -0.301 175.026 175.510 -0.305 0.000 1.016 410 N CA 1.368 54.030 53.050 -0.646 0.000 0.866 410 N CB -0.161 37.949 38.487 -0.629 0.000 0.980 410 N HN 0.530 nan 8.380 nan 0.000 0.430 411 Y N -4.988 115.048 120.300 -0.440 0.000 2.891 411 Y HA 0.630 5.192 4.550 0.021 0.000 0.361 411 Y C -0.158 175.780 175.900 0.062 0.000 1.255 411 Y CA -1.116 56.904 58.100 -0.132 0.000 1.103 411 Y CB 0.391 38.752 38.460 -0.166 0.000 1.454 411 Y HN -0.123 nan 8.280 nan 0.000 0.449 412 G N 0.537 109.584 108.800 0.412 0.000 3.000 412 G HA2 0.279 4.251 3.960 0.021 0.000 0.170 412 G HA3 0.279 4.251 3.960 0.021 0.000 0.170 412 G C -0.448 174.642 174.900 0.317 0.000 1.160 412 G CA -0.565 44.717 45.100 0.303 0.000 0.945 412 G HN 0.596 nan 8.290 nan 0.000 0.593 413 K N -0.083 120.427 120.400 0.184 0.000 2.103 413 K HA -0.099 4.234 4.320 0.021 0.000 0.207 413 K C 2.821 179.478 176.600 0.095 0.000 1.048 413 K CA 2.233 58.595 56.287 0.126 0.000 0.930 413 K CB -0.332 32.225 32.500 0.095 0.000 0.716 413 K HN 0.525 nan 8.250 nan 0.000 0.444 414 T N -0.570 114.049 114.554 0.109 0.000 2.788 414 T HA -0.188 4.175 4.350 0.021 0.000 0.268 414 T C 1.760 176.497 174.700 0.060 0.000 1.044 414 T CA 0.938 63.081 62.100 0.072 0.000 1.139 414 T CB -0.445 68.469 68.868 0.077 0.000 0.867 414 T HN 0.187 nan 8.240 nan 0.000 0.454 415 F N 2.189 122.123 119.950 -0.025 0.000 2.084 415 F HA 0.140 4.680 4.527 0.022 0.000 0.296 415 F C 2.049 177.738 175.800 -0.186 0.000 1.111 415 F CA 0.800 58.726 58.000 -0.123 0.000 1.224 415 F CB -0.458 38.407 39.000 -0.225 0.000 0.991 415 F HN 0.100 nan 8.300 nan 0.000 0.471 416 I N 0.249 120.690 120.570 -0.216 0.000 2.208 416 I HA -0.326 3.857 4.170 0.021 0.000 0.245 416 I C 2.401 178.348 176.117 -0.284 0.000 1.097 416 I CA 1.736 62.789 61.300 -0.411 0.000 1.363 416 I CB -0.593 37.225 38.000 -0.303 0.000 1.051 416 I HN 0.116 nan 8.210 nan 0.000 0.413 417 K N 1.443 121.748 120.400 -0.159 0.000 2.097 417 K HA -0.155 4.178 4.320 0.021 0.000 0.206 417 K C 1.980 178.473 176.600 -0.179 0.000 1.049 417 K CA 1.382 57.602 56.287 -0.112 0.000 0.933 417 K CB 0.027 32.499 32.500 -0.047 0.000 0.717 417 K HN 0.147 nan 8.250 nan 0.000 0.442 418 K N -0.318 119.939 120.400 -0.240 0.000 2.362 418 K HA -0.111 4.221 4.320 0.021 0.000 0.200 418 K C 1.615 178.011 176.600 -0.340 0.000 1.046 418 K CA 0.834 56.970 56.287 -0.251 0.000 0.952 418 K CB 0.131 32.492 32.500 -0.232 0.000 0.753 418 K HN 0.058 nan 8.250 nan 0.000 0.466 419 Q N 0.462 119.985 119.800 -0.462 0.000 2.360 419 Q HA 0.060 4.413 4.340 0.021 0.000 0.202 419 Q C -0.481 175.156 176.000 -0.605 0.000 0.915 419 Q CA 0.424 55.909 55.803 -0.530 0.000 0.943 419 Q CB 0.255 28.653 28.738 -0.566 0.000 1.064 419 Q HN 0.099 nan 8.270 nan 0.000 0.511 420 K N -1.910 118.258 120.400 -0.387 0.000 3.339 420 K HA -0.234 4.099 4.320 0.021 0.000 0.299 420 K C -0.952 175.526 176.600 -0.204 0.000 1.270 420 K CA 0.533 56.649 56.287 -0.285 0.000 0.875 420 K CB -2.105 30.218 32.500 -0.295 0.000 1.298 420 K HN 0.274 nan 8.250 nan 0.000 0.485 421 Y N 0.137 120.407 120.300 -0.050 0.000 2.496 421 Y HA 0.327 4.890 4.550 0.020 0.000 0.331 421 Y C 0.961 176.878 175.900 0.027 0.000 1.140 421 Y CA -1.312 56.798 58.100 0.018 0.000 1.166 421 Y CB 1.879 40.403 38.460 0.106 0.000 1.249 421 Y HN -0.007 nan 8.280 nan 0.000 0.479 422 S N 2.484 118.342 115.700 0.262 0.000 2.505 422 S HA 0.144 4.627 4.470 0.021 0.000 0.276 422 S C -1.864 172.856 174.600 0.199 0.000 1.274 422 S CA -1.426 56.879 58.200 0.175 0.000 1.053 422 S CB 0.815 64.100 63.200 0.143 0.000 0.919 422 S HN 0.399 nan 8.310 nan 0.000 0.490 423 P HA -0.086 nan 4.420 nan 0.000 0.216 423 P C 0.830 178.263 177.300 0.223 0.000 1.150 423 P CA 0.987 64.194 63.100 0.178 0.000 0.837 423 P CB 0.132 31.917 31.700 0.141 0.000 0.786 424 D N -0.961 119.564 120.400 0.208 0.000 2.084 424 D HA -0.107 4.546 4.640 0.021 0.000 0.196 424 D C 2.247 178.651 176.300 0.173 0.000 0.985 424 D CA 1.713 55.853 54.000 0.233 0.000 0.826 424 D CB -0.977 39.952 40.800 0.213 0.000 0.978 424 D HN 0.001 nan 8.370 nan 0.000 0.456 425 G N -0.842 108.043 108.800 0.141 0.000 2.422 425 G HA2 -0.268 3.705 3.960 0.021 0.000 0.218 425 G HA3 -0.268 3.705 3.960 0.021 0.000 0.218 425 G C 1.507 176.434 174.900 0.045 0.000 1.146 425 G CA 0.514 45.658 45.100 0.073 0.000 0.769 425 G HN 0.336 nan 8.290 nan 0.000 0.547 426 F N 1.209 121.139 119.950 -0.032 0.000 2.102 426 F HA 0.033 4.573 4.527 0.021 0.000 0.298 426 F C 2.474 178.255 175.800 -0.031 0.000 1.105 426 F CA 1.198 59.170 58.000 -0.047 0.000 1.239 426 F CB -0.063 38.972 39.000 0.058 0.000 0.991 426 F HN 0.084 nan 8.300 nan 0.000 0.474 427 I N -0.172 120.527 120.570 0.214 0.000 2.315 427 I HA -0.266 3.916 4.170 0.021 0.000 0.248 427 I C 2.300 178.358 176.117 -0.099 0.000 1.117 427 I CA 0.802 62.115 61.300 0.021 0.000 1.404 427 I CB -0.518 37.356 38.000 -0.211 0.000 1.071 427 I HN 0.209 nan 8.210 nan 0.000 0.419 428 Q N 0.273 120.039 119.800 -0.057 0.000 2.119 428 Q HA -0.116 4.237 4.340 0.021 0.000 0.201 428 Q C 2.530 178.495 176.000 -0.058 0.000 0.972 428 Q CA 1.303 57.092 55.803 -0.023 0.000 0.847 428 Q CB -0.382 28.369 28.738 0.020 0.000 0.903 428 Q HN 0.394 nan 8.270 nan 0.000 0.433 429 V N 1.214 121.051 119.914 -0.128 0.000 2.343 429 V HA -0.250 3.883 4.120 0.021 0.000 0.247 429 V C 2.412 178.436 176.094 -0.116 0.000 1.051 429 V CA 1.711 63.913 62.300 -0.162 0.000 1.036 429 V CB -1.082 30.530 31.823 -0.351 0.000 0.654 429 V HN 0.308 nan 8.190 nan 0.000 0.451 430 A N -0.123 122.586 122.820 -0.186 0.000 1.908 430 A HA -0.180 4.152 4.320 0.021 0.000 0.218 430 A C 2.212 179.717 177.584 -0.132 0.000 1.181 430 A CA 1.863 53.801 52.037 -0.165 0.000 0.627 430 A CB -0.582 18.301 19.000 -0.195 0.000 0.818 430 A HN 0.508 nan 8.150 nan 0.000 0.445 431 L N -0.727 120.440 121.223 -0.093 0.000 2.131 431 L HA -0.225 4.127 4.340 0.021 0.000 0.210 431 L C 2.823 179.755 176.870 0.104 0.000 1.092 431 L CA 1.099 55.931 54.840 -0.013 0.000 0.759 431 L CB -0.486 41.633 42.059 0.100 0.000 0.903 431 L HN 0.401 nan 8.230 nan 0.000 0.435 432 Q N -0.496 119.352 119.800 0.079 0.000 2.119 432 Q HA -0.166 4.187 4.340 0.021 0.000 0.201 432 Q C 2.234 178.334 176.000 0.167 0.000 0.972 432 Q CA 1.222 57.104 55.803 0.132 0.000 0.847 432 Q CB -0.331 28.450 28.738 0.072 0.000 0.903 432 Q HN 0.372 nan 8.270 nan 0.000 0.433 433 L N 0.633 121.904 121.223 0.080 0.000 2.072 433 L HA 0.009 4.362 4.340 0.021 0.000 0.205 433 L C 2.093 178.989 176.870 0.043 0.000 1.079 433 L CA 1.895 56.767 54.840 0.053 0.000 0.752 433 L CB -0.896 41.154 42.059 -0.015 0.000 0.906 433 L HN 0.092 nan 8.230 nan 0.000 0.436 434 A N -1.352 121.432 122.820 -0.060 0.000 1.908 434 A HA -0.298 4.035 4.320 0.021 0.000 0.218 434 A C 2.313 179.905 177.584 0.012 0.000 1.181 434 A CA 1.964 53.875 52.037 -0.210 0.000 0.627 434 A CB -1.190 17.437 19.000 -0.622 0.000 0.818 434 A HN 0.605 nan 8.150 nan 0.000 0.445 435 Y N -1.887 118.522 120.300 0.181 0.000 2.200 435 Y HA -0.200 4.363 4.550 0.022 0.000 0.290 435 Y C 2.261 178.355 175.900 0.324 0.000 1.137 435 Y CA 2.016 60.340 58.100 0.374 0.000 1.163 435 Y CB -0.415 38.227 38.460 0.303 0.000 0.988 435 Y HN 0.425 nan 8.280 nan 0.000 0.518 436 Y N 1.808 122.267 120.300 0.265 0.000 2.181 436 Y HA -0.244 4.319 4.550 0.021 0.000 0.288 436 Y C 2.576 178.501 175.900 0.041 0.000 1.146 436 Y CA 2.204 60.402 58.100 0.164 0.000 1.164 436 Y CB -0.388 38.130 38.460 0.097 0.000 0.982 436 Y HN 0.170 nan 8.280 nan 0.000 0.515 437 R N -0.232 120.291 120.500 0.039 0.000 2.285 437 R HA -0.094 4.259 4.340 0.021 0.000 0.213 437 R C 1.430 177.613 176.300 -0.196 0.000 1.068 437 R CA 1.650 57.698 56.100 -0.086 0.000 1.004 437 R CB -0.638 29.628 30.300 -0.056 0.000 0.873 437 R HN 0.421 nan 8.270 nan 0.000 0.467 438 L N -1.042 120.041 121.223 -0.232 0.000 2.388 438 L HA 0.146 4.499 4.340 0.021 0.000 0.209 438 L C 1.058 177.549 176.870 -0.631 0.000 1.061 438 L CA 0.502 55.081 54.840 -0.435 0.000 0.834 438 L CB 0.188 41.944 42.059 -0.505 0.000 1.029 438 L HN 0.075 nan 8.230 nan 0.000 0.473 439 Y N -0.899 119.193 120.300 -0.346 0.000 2.453 439 Y HA 0.180 4.742 4.550 0.021 0.000 0.247 439 Y C 0.397 176.133 175.900 -0.273 0.000 1.124 439 Y CA -0.718 57.216 58.100 -0.277 0.000 1.243 439 Y CB 0.300 38.585 38.460 -0.292 0.000 1.213 439 Y HN 0.047 nan 8.280 nan 0.000 0.523 440 Q N 1.130 120.696 119.800 -0.390 0.000 2.478 440 Q HA -0.228 4.124 4.340 0.021 0.000 0.286 440 Q C -0.288 175.494 176.000 -0.363 0.000 1.299 440 Q CA 1.008 56.359 55.803 -0.754 0.000 0.826 440 Q CB -1.342 27.166 28.738 -0.383 0.000 1.199 440 Q HN 0.677 nan 8.270 nan 0.000 0.451 441 R N -1.838 118.633 120.500 -0.047 0.000 2.828 441 R HA 0.604 4.956 4.340 0.021 0.000 0.280 441 R C -1.761 174.844 176.300 0.509 0.000 1.020 441 R CA -1.087 55.221 56.100 0.346 0.000 0.855 441 R CB 0.744 31.174 30.300 0.217 0.000 1.278 441 R HN 0.062 nan 8.270 nan 0.000 0.495 442 L N 1.339 122.793 121.223 0.385 0.000 2.332 442 L HA 0.810 5.163 4.340 0.021 0.000 0.269 442 L C -0.027 176.876 176.870 0.054 0.000 1.016 442 L CA -1.266 53.722 54.840 0.247 0.000 0.809 442 L CB 2.002 44.191 42.059 0.215 0.000 1.280 442 L HN 0.640 nan 8.230 nan 0.000 0.447 443 V N -1.609 118.210 119.914 -0.159 0.000 3.130 443 V HA 0.570 4.703 4.120 0.021 0.000 0.310 443 V C -2.733 173.286 176.094 -0.125 0.000 1.158 443 V CA -2.668 59.523 62.300 -0.182 0.000 1.029 443 V CB 1.469 33.092 31.823 -0.333 0.000 1.057 443 V HN 0.506 nan 8.190 nan 0.000 0.436 444 P HA 0.254 nan 4.420 nan 0.000 0.260 444 P C -0.333 177.072 177.300 0.175 0.000 1.185 444 P CA 0.799 63.935 63.100 0.060 0.000 0.763 444 P CB 0.117 31.830 31.700 0.022 0.000 0.776 445 T N 3.356 118.002 114.554 0.153 0.000 2.918 445 T HA 0.416 4.779 4.350 0.021 0.000 0.286 445 T C -1.129 173.561 174.700 -0.016 0.000 1.026 445 T CA -0.263 61.893 62.100 0.093 0.000 1.031 445 T CB 0.842 69.707 68.868 -0.006 0.000 1.046 445 T HN 0.190 nan 8.240 nan 0.000 0.479 446 Y N 1.630 121.746 120.300 -0.306 0.000 2.376 446 Y HA 0.553 5.116 4.550 0.022 0.000 0.340 446 Y C -0.353 175.398 175.900 -0.250 0.000 0.965 446 Y CA -0.800 56.941 58.100 -0.599 0.000 1.078 446 Y CB 1.300 39.093 38.460 -1.111 0.000 1.193 446 Y HN 0.697 nan 8.280 nan 0.000 0.452 447 E N 4.573 124.404 120.200 -0.614 0.000 2.260 447 E HA 0.300 4.663 4.350 0.021 0.000 0.266 447 E C -1.435 174.856 176.600 -0.515 0.000 0.887 447 E CA -0.698 55.516 56.400 -0.311 0.000 0.777 447 E CB 1.579 31.204 29.700 -0.125 0.000 1.205 447 E HN 0.595 nan 8.360 nan 0.000 0.414 448 S N 2.655 118.209 115.700 -0.243 0.000 2.537 448 S HA 0.435 4.918 4.470 0.021 0.000 0.286 448 S C -0.621 173.933 174.600 -0.076 0.000 1.299 448 S CA 0.227 58.357 58.200 -0.116 0.000 1.067 448 S CB 0.294 63.574 63.200 0.132 0.000 0.864 448 S HN 0.555 nan 8.310 nan 0.000 0.494 449 A N 4.139 126.915 122.820 -0.072 0.000 2.353 449 A HA 0.585 4.918 4.320 0.021 0.000 0.299 449 A C -0.068 177.511 177.584 -0.008 0.000 1.089 449 A CA -0.630 51.394 52.037 -0.021 0.000 0.736 449 A CB 1.428 20.422 19.000 -0.010 0.000 1.195 449 A HN 0.745 nan 8.150 nan 0.000 0.447 450 S N 1.972 117.677 115.700 0.008 0.000 2.531 450 S HA 0.361 4.844 4.470 0.021 0.000 0.279 450 S C 0.583 175.190 174.600 0.011 0.000 1.305 450 S CA -0.101 58.098 58.200 -0.002 0.000 1.058 450 S CB -0.328 62.876 63.200 0.007 0.000 0.899 450 S HN 1.015 nan 8.310 nan 0.000 0.493 451 I N 2.681 123.252 120.570 0.001 0.000 3.531 451 I HA 0.423 4.606 4.170 0.021 0.000 0.341 451 I C 1.042 177.208 176.117 0.082 0.000 1.550 451 I CA -0.609 60.751 61.300 0.099 0.000 1.087 451 I CB 0.069 38.126 38.000 0.096 0.000 1.408 451 I HN 0.487 nan 8.210 nan 0.000 0.484 452 R N 1.115 121.609 120.500 -0.009 0.000 2.328 452 R HA 0.071 4.423 4.340 0.021 0.000 0.207 452 R C 1.769 177.999 176.300 -0.116 0.000 1.056 452 R CA 0.555 56.635 56.100 -0.034 0.000 1.016 452 R CB -0.194 30.093 30.300 -0.022 0.000 0.872 452 R HN 0.490 nan 8.270 nan 0.000 0.471 453 R N -0.346 119.998 120.500 -0.259 0.000 2.193 453 R HA -0.049 4.304 4.340 0.021 0.000 0.229 453 R C -0.014 175.898 176.300 -0.648 0.000 1.110 453 R CA 0.867 56.638 56.100 -0.548 0.000 0.988 453 R CB 0.042 29.832 30.300 -0.850 0.000 0.871 453 R HN 0.034 nan 8.270 nan 0.000 0.458 454 F N 0.427 120.337 119.950 -0.066 0.000 2.450 454 F HA 0.246 4.786 4.527 0.023 0.000 0.328 454 F C 0.636 176.400 175.800 -0.061 0.000 1.068 454 F CA -1.223 56.739 58.000 -0.062 0.000 1.007 454 F CB 0.615 39.569 39.000 -0.076 0.000 1.251 454 F HN -0.256 nan 8.300 nan 0.000 0.492 455 Q N 1.202 121.093 119.800 0.151 0.000 2.283 455 Q HA -0.041 4.312 4.340 0.021 0.000 0.301 455 Q C 0.153 176.173 176.000 0.032 0.000 1.063 455 Q CA 0.670 56.516 55.803 0.072 0.000 0.952 455 Q CB 0.053 28.829 28.738 0.063 0.000 1.166 455 Q HN 0.669 nan 8.270 nan 0.000 0.381 456 E N -0.391 119.826 120.200 0.028 0.000 2.971 456 E HA -0.229 4.133 4.350 0.021 0.000 0.271 456 E C 0.195 176.767 176.600 -0.046 0.000 1.053 456 E CA 0.277 56.680 56.400 0.005 0.000 0.817 456 E CB -1.623 28.072 29.700 -0.008 0.000 1.410 456 E HN 0.816 nan 8.360 nan 0.000 0.445 457 G N 0.274 109.055 108.800 -0.032 0.000 2.305 457 G HA2 0.084 4.057 3.960 0.021 0.000 0.243 457 G HA3 0.084 4.057 3.960 0.021 0.000 0.243 457 G C 0.785 175.601 174.900 -0.141 0.000 1.288 457 G CA -0.128 44.925 45.100 -0.078 0.000 0.901 457 G HN -0.025 nan 8.290 nan 0.000 0.516 458 R N 1.089 121.406 120.500 -0.304 0.000 1.792 458 R HA 0.495 4.848 4.340 0.021 0.000 0.139 458 R C 0.775 176.866 176.300 -0.349 0.000 2.091 458 R CA 0.809 56.671 56.100 -0.396 0.000 1.697 458 R CB -0.510 29.278 30.300 -0.854 0.000 1.340 458 R HN 0.795 nan 8.270 nan 0.000 0.481 459 V N -1.355 118.231 119.914 -0.547 0.000 3.206 459 V HA 0.657 4.789 4.120 0.021 0.000 0.305 459 V C -1.217 174.736 176.094 -0.235 0.000 1.257 459 V CA -0.891 61.253 62.300 -0.259 0.000 1.057 459 V CB 2.630 34.427 31.823 -0.043 0.000 1.075 459 V HN 0.339 nan 8.190 nan 0.000 0.443 460 D N 0.403 120.756 120.400 -0.077 0.000 2.636 460 D HA 0.486 5.138 4.640 0.021 0.000 0.275 460 D C -1.497 174.767 176.300 -0.059 0.000 1.130 460 D CA -0.432 53.564 54.000 -0.006 0.000 1.031 460 D CB 2.537 43.345 40.800 0.014 0.000 1.451 460 D HN 0.860 nan 8.370 nan 0.000 0.505 461 N N 0.149 118.816 118.700 -0.055 0.000 2.405 461 N HA 0.487 5.239 4.740 0.021 0.000 0.299 461 N C -1.083 174.352 175.510 -0.124 0.000 1.075 461 N CA -0.334 52.535 53.050 -0.302 0.000 0.884 461 N CB 0.988 39.271 38.487 -0.340 0.000 1.194 461 N HN 0.329 nan 8.380 nan 0.000 0.491 462 I N 2.585 122.982 120.570 -0.288 0.000 2.362 462 I HA 0.331 4.513 4.170 0.021 0.000 0.289 462 I C 0.203 175.994 176.117 -0.543 0.000 0.994 462 I CA -0.678 60.437 61.300 -0.307 0.000 1.158 462 I CB 1.224 39.128 38.000 -0.160 0.000 1.315 462 I HN 0.319 nan 8.210 nan 0.000 0.451 463 R N 4.331 124.260 120.500 -0.951 0.000 2.408 463 R HA 0.222 4.575 4.340 0.021 0.000 0.308 463 R C 0.872 176.898 176.300 -0.457 0.000 1.210 463 R CA -0.181 55.591 56.100 -0.547 0.000 1.115 463 R CB 0.587 30.684 30.300 -0.339 0.000 1.127 463 R HN 0.609 nan 8.270 nan 0.000 0.523 464 S N 1.636 117.178 115.700 -0.262 0.000 2.474 464 S HA -0.113 4.369 4.470 0.021 0.000 0.235 464 S C 1.279 175.840 174.600 -0.064 0.000 0.997 464 S CA 0.873 58.986 58.200 -0.145 0.000 0.949 464 S CB 0.216 63.370 63.200 -0.078 0.000 0.766 464 S HN 0.665 nan 8.310 nan 0.000 0.517 465 A N 3.042 125.846 122.820 -0.027 0.000 3.051 465 A HA 0.354 4.687 4.320 0.021 0.000 0.257 465 A C 0.942 178.626 177.584 0.165 0.000 1.785 465 A CA -0.402 51.675 52.037 0.066 0.000 1.420 465 A CB -0.965 18.079 19.000 0.073 0.000 1.063 465 A HN 0.422 nan 8.150 nan 0.000 0.630 466 T N -2.393 112.193 114.554 0.053 0.000 2.816 466 T HA 0.385 4.748 4.350 0.021 0.000 0.282 466 T C -1.735 172.848 174.700 -0.194 0.000 0.993 466 T CA -1.442 60.680 62.100 0.038 0.000 0.994 466 T CB 0.837 69.716 68.868 0.017 0.000 1.025 466 T HN 0.112 nan 8.240 nan 0.000 0.529 467 P HA -0.015 nan 4.420 nan 0.000 0.217 467 P C 1.212 178.360 177.300 -0.253 0.000 1.150 467 P CA 0.933 63.763 63.100 -0.451 0.000 0.832 467 P CB 0.042 31.626 31.700 -0.194 0.000 0.787 468 E N -0.289 119.832 120.200 -0.132 0.000 2.106 468 E HA -0.109 4.253 4.350 0.021 0.000 0.192 468 E C 2.108 178.662 176.600 -0.077 0.000 0.984 468 E CA 1.431 57.779 56.400 -0.086 0.000 0.806 468 E CB -1.067 28.599 29.700 -0.057 0.000 0.750 468 E HN 0.146 nan 8.360 nan 0.000 0.458 469 A N 0.634 123.402 122.820 -0.086 0.000 1.930 469 A HA -0.105 4.228 4.320 0.021 0.000 0.217 469 A C 2.107 179.648 177.584 -0.072 0.000 1.175 469 A CA 0.989 53.002 52.037 -0.041 0.000 0.627 469 A CB -0.530 18.447 19.000 -0.039 0.000 0.815 469 A HN 0.267 nan 8.150 nan 0.000 0.443 470 L N -0.043 121.074 121.223 -0.177 0.000 2.046 470 L HA -0.080 4.273 4.340 0.021 0.000 0.208 470 L C 2.629 179.352 176.870 -0.244 0.000 1.077 470 L CA 2.245 56.935 54.840 -0.250 0.000 0.747 470 L CB -0.873 40.995 42.059 -0.319 0.000 0.896 470 L HN 0.333 nan 8.230 nan 0.000 0.432 471 A N -0.910 121.813 122.820 -0.162 0.000 1.908 471 A HA -0.273 4.059 4.320 0.021 0.000 0.218 471 A C 2.276 179.811 177.584 -0.082 0.000 1.181 471 A CA 1.940 53.910 52.037 -0.111 0.000 0.627 471 A CB -1.215 17.746 19.000 -0.065 0.000 0.818 471 A HN 0.564 nan 8.150 nan 0.000 0.445 472 F N 1.310 121.148 119.950 -0.187 0.000 2.102 472 F HA -0.178 4.363 4.527 0.022 0.000 0.298 472 F C 2.351 178.028 175.800 -0.205 0.000 1.105 472 F CA 2.146 60.040 58.000 -0.176 0.000 1.239 472 F CB -0.515 38.383 39.000 -0.170 0.000 0.991 472 F HN 0.130 nan 8.300 nan 0.000 0.474 473 V N -0.921 118.746 119.914 -0.412 0.000 2.490 473 V HA -0.255 3.878 4.120 0.021 0.000 0.250 473 V C 2.006 177.761 176.094 -0.565 0.000 1.061 473 V CA 2.006 63.970 62.300 -0.561 0.000 1.064 473 V CB -1.267 30.260 31.823 -0.493 0.000 0.670 473 V HN 0.519 nan 8.190 nan 0.000 0.461 474 Q N 1.008 120.482 119.800 -0.545 0.000 2.079 474 Q HA 0.009 4.362 4.340 0.021 0.000 0.200 474 Q C 2.482 178.381 176.000 -0.169 0.000 0.974 474 Q CA 1.778 57.394 55.803 -0.313 0.000 0.840 474 Q CB -0.443 28.159 28.738 -0.226 0.000 0.898 474 Q HN 0.754 nan 8.270 nan 0.000 0.430 475 A N 0.334 123.016 122.820 -0.230 0.000 2.014 475 A HA -0.100 4.233 4.320 0.021 0.000 0.218 475 A C 1.921 179.292 177.584 -0.355 0.000 1.163 475 A CA 0.955 52.865 52.037 -0.211 0.000 0.652 475 A CB -0.140 18.750 19.000 -0.183 0.000 0.808 475 A HN 0.221 nan 8.150 nan 0.000 0.449 476 M N -0.340 118.988 119.600 -0.454 0.000 2.447 476 M HA -0.016 4.477 4.480 0.021 0.000 0.264 476 M C 1.829 178.013 176.300 -0.194 0.000 1.095 476 M CA 1.913 56.934 55.300 -0.466 0.000 1.125 476 M CB -0.867 31.328 32.600 -0.675 0.000 1.389 476 M HN 0.671 nan 8.290 nan 0.000 0.459 477 T N -5.272 109.252 114.554 -0.049 0.000 2.969 477 T HA 0.151 4.514 4.350 0.021 0.000 0.258 477 T C 0.818 175.607 174.700 0.148 0.000 0.962 477 T CA -0.163 61.990 62.100 0.089 0.000 0.903 477 T CB 0.273 69.204 68.868 0.105 0.000 1.177 477 T HN 0.045 nan 8.240 nan 0.000 0.511 478 D N 1.763 122.253 120.400 0.150 0.000 2.388 478 D HA 0.108 4.760 4.640 0.021 0.000 0.221 478 D C 1.411 177.789 176.300 0.129 0.000 1.133 478 D CA 0.126 54.203 54.000 0.129 0.000 0.831 478 D CB 0.137 41.017 40.800 0.134 0.000 0.962 478 D HN 0.663 nan 8.370 nan 0.000 0.502 479 H N 0.660 119.719 119.070 -0.019 0.000 2.379 479 H HA 0.156 4.725 4.556 0.021 0.000 0.308 479 H C 0.274 175.592 175.328 -0.016 0.000 1.047 479 H CA 0.649 56.684 56.048 -0.020 0.000 1.371 479 H CB 0.154 29.897 29.762 -0.031 0.000 1.449 479 H HN -0.193 nan 8.280 nan 0.000 0.564 480 K N 0.939 120.793 120.400 -0.911 0.000 3.393 480 K HA -0.134 4.199 4.320 0.021 0.000 0.272 480 K C 0.312 176.474 176.600 -0.731 0.000 1.004 480 K CA 0.569 56.437 56.287 -0.697 0.000 0.764 480 K CB -1.841 30.505 32.500 -0.257 0.000 1.373 480 K HN 0.807 nan 8.250 nan 0.000 0.458 481 A N -2.221 119.862 122.820 -1.228 0.000 3.080 481 A HA -0.277 4.056 4.320 0.021 0.000 0.254 481 A C 1.533 179.058 177.584 -0.099 0.000 1.277 481 A CA 1.827 53.670 52.037 -0.325 0.000 1.065 481 A CB -2.047 16.858 19.000 -0.158 0.000 1.160 481 A HN 1.105 nan 8.150 nan 0.000 0.886 482 A N -0.831 121.928 122.820 -0.102 0.000 1.968 482 A HA 0.401 4.733 4.320 0.021 0.000 0.217 482 A C 1.159 178.813 177.584 0.117 0.000 1.169 482 A CA 1.728 53.789 52.037 0.040 0.000 0.638 482 A CB -0.360 18.671 19.000 0.052 0.000 0.812 482 A HN 1.797 nan 8.150 nan 0.000 0.446 483 M N -2.488 117.250 119.600 0.229 0.000 2.550 483 M HA 0.670 5.163 4.480 0.021 0.000 0.292 483 M C -3.225 173.136 176.300 0.102 0.000 1.221 483 M CA -2.271 53.102 55.300 0.121 0.000 0.873 483 M CB 1.241 33.882 32.600 0.067 0.000 1.727 483 M HN -0.275 nan 8.290 nan 0.000 0.459 484 P HA 0.198 nan 4.420 nan 0.000 0.269 484 P C 0.177 177.494 177.300 0.030 0.000 1.215 484 P CA -0.070 63.057 63.100 0.045 0.000 0.780 484 P CB 0.633 32.354 31.700 0.036 0.000 0.898 485 A N 1.376 124.216 122.820 0.034 0.000 2.121 485 A HA -0.125 4.207 4.320 0.021 0.000 0.218 485 A C 2.315 179.923 177.584 0.040 0.000 1.154 485 A CA 1.772 53.829 52.037 0.033 0.000 0.679 485 A CB -1.262 17.765 19.000 0.044 0.000 0.795 485 A HN 0.534 nan 8.150 nan 0.000 0.458 486 S N -0.443 115.279 115.700 0.036 0.000 2.368 486 S HA -0.182 4.301 4.470 0.021 0.000 0.225 486 S C 1.899 176.521 174.600 0.037 0.000 1.030 486 S CA 1.684 59.905 58.200 0.036 0.000 0.999 486 S CB -0.262 62.956 63.200 0.030 0.000 0.844 486 S HN 0.690 nan 8.310 nan 0.000 0.459 487 E N 0.484 120.703 120.200 0.032 0.000 2.028 487 E HA -0.072 4.291 4.350 0.021 0.000 0.190 487 E C 2.288 178.915 176.600 0.045 0.000 0.984 487 E CA 0.866 57.285 56.400 0.031 0.000 0.800 487 E CB -0.099 29.613 29.700 0.020 0.000 0.758 487 E HN 0.476 nan 8.360 nan 0.000 0.448 488 K N 0.706 121.127 120.400 0.036 0.000 2.074 488 K HA -0.197 4.136 4.320 0.021 0.000 0.209 488 K C 2.190 178.887 176.600 0.162 0.000 1.048 488 K CA 1.003 57.335 56.287 0.075 0.000 0.926 488 K CB -0.231 32.270 32.500 0.001 0.000 0.713 488 K HN 0.022 nan 8.250 nan 0.000 0.444 489 L N 1.354 122.644 121.223 0.112 0.000 2.131 489 L HA -0.201 4.152 4.340 0.021 0.000 0.210 489 L C 2.362 179.280 176.870 0.081 0.000 1.092 489 L CA 1.703 56.609 54.840 0.110 0.000 0.759 489 L CB -0.348 41.766 42.059 0.091 0.000 0.903 489 L HN 0.134 nan 8.230 nan 0.000 0.435 490 Q N -0.848 118.992 119.800 0.065 0.000 2.137 490 Q HA -0.069 4.284 4.340 0.021 0.000 0.198 490 Q C 2.091 178.108 176.000 0.028 0.000 0.960 490 Q CA 1.533 57.363 55.803 0.044 0.000 0.847 490 Q CB -0.309 28.451 28.738 0.037 0.000 0.915 490 Q HN 0.563 nan 8.270 nan 0.000 0.448 491 L N 0.132 121.389 121.223 0.058 0.000 2.083 491 L HA -0.136 4.216 4.340 0.021 0.000 0.209 491 L C 2.371 179.214 176.870 -0.045 0.000 1.083 491 L CA 0.993 55.871 54.840 0.064 0.000 0.752 491 L CB -0.479 41.676 42.059 0.161 0.000 0.899 491 L HN 0.340 nan 8.230 nan 0.000 0.433 492 L N -0.483 120.651 121.223 -0.149 0.000 2.046 492 L HA -0.272 4.081 4.340 0.021 0.000 0.208 492 L C 2.630 179.245 176.870 -0.426 0.000 1.077 492 L CA 1.312 55.753 54.840 -0.665 0.000 0.747 492 L CB -0.068 41.623 42.059 -0.613 0.000 0.896 492 L HN 0.278 nan 8.230 nan 0.000 0.432 493 Q N -0.162 119.543 119.800 -0.159 0.000 2.030 493 Q HA -0.225 4.127 4.340 0.021 0.000 0.204 493 Q C 2.133 178.084 176.000 -0.082 0.000 0.986 493 Q CA 3.040 58.816 55.803 -0.045 0.000 0.843 493 Q CB -0.371 28.408 28.738 0.068 0.000 0.904 493 Q HN 0.711 nan 8.270 nan 0.000 0.420 494 T N -2.061 112.451 114.554 -0.070 0.000 2.833 494 T HA -0.071 4.291 4.350 0.021 0.000 0.269 494 T C 1.834 176.479 174.700 -0.092 0.000 1.054 494 T CA 1.178 63.246 62.100 -0.054 0.000 1.135 494 T CB -0.596 68.253 68.868 -0.031 0.000 0.869 494 T HN 0.328 nan 8.240 nan 0.000 0.466 495 A N 1.878 124.597 122.820 -0.168 0.000 1.898 495 A HA 0.111 4.444 4.320 0.021 0.000 0.216 495 A C 2.480 179.937 177.584 -0.212 0.000 1.181 495 A CA 1.524 53.442 52.037 -0.199 0.000 0.620 495 A CB -0.639 18.173 19.000 -0.313 0.000 0.819 495 A HN 0.395 nan 8.150 nan 0.000 0.442 496 M N -1.006 118.416 119.600 -0.297 0.000 2.175 496 M HA -0.131 4.362 4.480 0.021 0.000 0.264 496 M C 2.239 178.478 176.300 -0.102 0.000 1.063 496 M CA 1.703 56.837 55.300 -0.276 0.000 1.119 496 M CB -1.159 31.136 32.600 -0.508 0.000 1.377 496 M HN 0.551 nan 8.290 nan 0.000 0.415 497 Q N 0.407 120.170 119.800 -0.060 0.000 2.124 497 Q HA -0.008 4.345 4.340 0.021 0.000 0.202 497 Q C 2.006 178.014 176.000 0.013 0.000 0.977 497 Q CA 2.247 58.051 55.803 0.002 0.000 0.850 497 Q CB -0.402 28.342 28.738 0.011 0.000 0.901 497 Q HN 0.457 nan 8.270 nan 0.000 0.429 498 A N -0.086 122.733 122.820 -0.002 0.000 1.898 498 A HA -0.196 4.137 4.320 0.021 0.000 0.216 498 A C 2.064 179.691 177.584 0.072 0.000 1.181 498 A CA 1.458 53.517 52.037 0.037 0.000 0.620 498 A CB -0.583 18.429 19.000 0.021 0.000 0.819 498 A HN 0.356 nan 8.150 nan 0.000 0.442 499 Q N -0.358 119.457 119.800 0.025 0.000 2.030 499 Q HA -0.148 4.204 4.340 0.021 0.000 0.204 499 Q C 2.272 178.323 176.000 0.086 0.000 0.986 499 Q CA 2.276 58.104 55.803 0.042 0.000 0.843 499 Q CB -1.057 27.675 28.738 -0.011 0.000 0.904 499 Q HN 0.668 nan 8.270 nan 0.000 0.420 500 T N 0.829 115.421 114.554 0.063 0.000 2.720 500 T HA -0.177 4.186 4.350 0.021 0.000 0.268 500 T C 1.762 176.514 174.700 0.086 0.000 1.037 500 T CA 1.623 63.769 62.100 0.075 0.000 1.144 500 T CB -0.121 68.787 68.868 0.066 0.000 0.864 500 T HN 0.364 nan 8.240 nan 0.000 0.444 501 E N -0.297 119.954 120.200 0.084 0.000 2.047 501 E HA -0.104 4.259 4.350 0.021 0.000 0.191 501 E C 1.861 178.513 176.600 0.086 0.000 0.987 501 E CA 0.889 57.331 56.400 0.071 0.000 0.799 501 E CB -0.199 29.534 29.700 0.055 0.000 0.752 501 E HN 0.638 nan 8.360 nan 0.000 0.449 502 Y N 0.403 120.720 120.300 0.029 0.000 2.242 502 Y HA -0.207 4.356 4.550 0.022 0.000 0.291 502 Y C 2.341 178.259 175.900 0.031 0.000 1.137 502 Y CA 1.715 59.835 58.100 0.034 0.000 1.181 502 Y CB 0.025 38.502 38.460 0.029 0.000 0.989 502 Y HN 0.077 nan 8.280 nan 0.000 0.527 503 T N -0.701 114.001 114.554 0.247 0.000 2.708 503 T HA -0.191 4.171 4.350 0.021 0.000 0.266 503 T C 1.931 176.700 174.700 0.116 0.000 1.037 503 T CA 1.684 63.882 62.100 0.164 0.000 1.146 503 T CB -0.647 68.291 68.868 0.116 0.000 0.865 503 T HN 0.146 nan 8.240 nan 0.000 0.435 504 V N 1.617 121.584 119.914 0.088 0.000 2.427 504 V HA -0.141 3.992 4.120 0.021 0.000 0.248 504 V C 2.407 178.532 176.094 0.051 0.000 1.051 504 V CA 1.677 64.016 62.300 0.063 0.000 1.048 504 V CB -0.641 31.212 31.823 0.050 0.000 0.666 504 V HN 0.484 nan 8.190 nan 0.000 0.456 505 M N 0.213 119.824 119.600 0.019 0.000 2.117 505 M HA -0.158 4.335 4.480 0.021 0.000 0.262 505 M C 2.117 178.422 176.300 0.009 0.000 1.065 505 M CA 2.243 57.524 55.300 -0.033 0.000 1.114 505 M CB -0.241 32.250 32.600 -0.182 0.000 1.361 505 M HN 0.329 nan 8.290 nan 0.000 0.408 506 A N 1.192 124.049 122.820 0.062 0.000 1.855 506 A HA -0.117 4.215 4.320 0.021 0.000 0.215 506 A C 1.999 179.641 177.584 0.096 0.000 1.191 506 A CA 1.658 53.757 52.037 0.103 0.000 0.613 506 A CB -1.201 17.901 19.000 0.170 0.000 0.829 506 A HN 0.789 nan 8.150 nan 0.000 0.442 507 I N -1.549 119.081 120.570 0.100 0.000 2.916 507 I HA -0.086 4.097 4.170 0.021 0.000 0.267 507 I C 1.633 177.869 176.117 0.199 0.000 1.263 507 I CA 1.794 63.162 61.300 0.114 0.000 1.471 507 I CB -0.729 37.315 38.000 0.073 0.000 1.089 507 I HN 0.332 nan 8.210 nan 0.000 0.468 508 T N -2.224 112.442 114.554 0.187 0.000 3.186 508 T HA 0.483 4.846 4.350 0.021 0.000 0.257 508 T C 1.359 176.188 174.700 0.216 0.000 1.029 508 T CA 0.153 62.426 62.100 0.290 0.000 0.916 508 T CB 0.052 69.023 68.868 0.172 0.000 1.041 508 T HN 0.691 nan 8.240 nan 0.000 0.562 509 G N 1.907 110.760 108.800 0.088 0.000 2.160 509 G HA2 -0.224 3.748 3.960 0.021 0.000 0.251 509 G HA3 -0.224 3.748 3.960 0.021 0.000 0.251 509 G C 0.588 175.462 174.900 -0.042 0.000 1.008 509 G CA 0.389 45.421 45.100 -0.113 0.000 0.724 509 G HN 0.479 nan 8.290 nan 0.000 0.514 510 M N -0.263 119.339 119.600 0.005 0.000 2.346 510 M HA 0.478 4.971 4.480 0.021 0.000 0.280 510 M C 1.571 177.876 176.300 0.008 0.000 1.075 510 M CA 0.044 55.345 55.300 0.001 0.000 0.989 510 M CB -0.140 32.455 32.600 -0.008 0.000 1.447 510 M HN 0.535 nan 8.290 nan 0.000 0.511 511 A N 1.342 124.184 122.820 0.036 0.000 2.256 511 A HA 0.388 4.721 4.320 0.021 0.000 0.276 511 A C 1.442 179.124 177.584 0.163 0.000 1.259 511 A CA 0.048 52.121 52.037 0.060 0.000 0.813 511 A CB 0.172 19.266 19.000 0.156 0.000 1.200 511 A HN 0.503 nan 8.150 nan 0.000 0.506 512 I N -4.691 116.022 120.570 0.238 0.000 3.616 512 I HA 0.177 4.360 4.170 0.021 0.000 0.296 512 I C 1.069 177.378 176.117 0.320 0.000 1.226 512 I CA 0.836 62.311 61.300 0.292 0.000 1.394 512 I CB -0.300 37.878 38.000 0.297 0.000 1.171 512 I HN 0.444 nan 8.210 nan 0.000 0.442 513 D N 2.631 123.220 120.400 0.316 0.000 2.137 513 D HA -0.211 4.442 4.640 0.021 0.000 0.189 513 D C 1.885 178.383 176.300 0.331 0.000 0.998 513 D CA 1.900 56.092 54.000 0.320 0.000 0.839 513 D CB -0.311 40.681 40.800 0.319 0.000 0.962 513 D HN 0.341 nan 8.370 nan 0.000 0.446 514 N N -0.465 118.433 118.700 0.330 0.000 2.149 514 N HA -0.172 4.580 4.740 0.021 0.000 0.188 514 N C 1.705 177.560 175.510 0.575 0.000 1.019 514 N CA 0.821 54.097 53.050 0.378 0.000 0.857 514 N CB -0.501 38.109 38.487 0.205 0.000 0.997 514 N HN 0.493 nan 8.380 nan 0.000 0.426 515 H N 0.688 120.010 119.070 0.421 0.000 2.293 515 H HA 0.013 4.583 4.556 0.023 0.000 0.300 515 H C 2.096 177.545 175.328 0.201 0.000 1.082 515 H CA 1.004 57.229 56.048 0.296 0.000 1.308 515 H CB 0.062 29.931 29.762 0.178 0.000 1.375 515 H HN 0.076 nan 8.280 nan 0.000 0.495 516 L N 0.291 121.647 121.223 0.221 0.000 2.083 516 L HA -0.186 4.166 4.340 0.021 0.000 0.209 516 L C 2.686 179.578 176.870 0.037 0.000 1.083 516 L CA 0.497 55.398 54.840 0.103 0.000 0.752 516 L CB -0.291 41.876 42.059 0.180 0.000 0.899 516 L HN 0.325 nan 8.230 nan 0.000 0.433 517 L N 0.293 121.601 121.223 0.141 0.000 2.042 517 L HA -0.177 4.176 4.340 0.021 0.000 0.210 517 L C 2.607 179.439 176.870 -0.064 0.000 1.076 517 L CA 2.090 56.959 54.840 0.050 0.000 0.749 517 L CB -0.644 41.529 42.059 0.189 0.000 0.893 517 L HN 0.138 nan 8.230 nan 0.000 0.432 518 A N -0.570 122.342 122.820 0.152 0.000 1.898 518 A HA -0.118 4.215 4.320 0.021 0.000 0.216 518 A C 2.247 179.790 177.584 -0.068 0.000 1.181 518 A CA 1.791 53.905 52.037 0.129 0.000 0.620 518 A CB -0.864 18.437 19.000 0.502 0.000 0.819 518 A HN 0.504 nan 8.150 nan 0.000 0.442 519 L N -1.021 120.194 121.223 -0.014 0.000 2.012 519 L HA -0.205 4.148 4.340 0.021 0.000 0.210 519 L C 2.822 179.609 176.870 -0.137 0.000 1.073 519 L CA 1.858 56.712 54.840 0.024 0.000 0.748 519 L CB -0.525 41.645 42.059 0.183 0.000 0.891 519 L HN 0.459 nan 8.230 nan 0.000 0.431 520 R N 0.096 120.234 120.500 -0.603 0.000 2.083 520 R HA -0.174 4.179 4.340 0.021 0.000 0.237 520 R C 2.185 178.157 176.300 -0.547 0.000 1.137 520 R CA 1.455 56.877 56.100 -1.130 0.000 0.951 520 R CB 0.005 29.359 30.300 -1.578 0.000 0.851 520 R HN 0.286 nan 8.270 nan 0.000 0.434 521 E N 0.597 120.481 120.200 -0.527 0.000 2.208 521 E HA -0.130 4.233 4.350 0.021 0.000 0.193 521 E C 2.059 178.456 176.600 -0.339 0.000 0.988 521 E CA 0.714 56.796 56.400 -0.531 0.000 0.828 521 E CB -0.074 28.986 29.700 -1.067 0.000 0.763 521 E HN 0.411 nan 8.360 nan 0.000 0.478 522 L N 0.251 121.327 121.223 -0.243 0.000 2.156 522 L HA -0.072 4.280 4.340 0.021 0.000 0.208 522 L C 2.385 179.241 176.870 -0.024 0.000 1.095 522 L CA 0.943 55.752 54.840 -0.051 0.000 0.770 522 L CB -0.335 41.736 42.059 0.020 0.000 0.914 522 L HN 0.043 nan 8.230 nan 0.000 0.439 523 A N -0.039 122.763 122.820 -0.031 0.000 1.930 523 A HA -0.215 4.118 4.320 0.021 0.000 0.217 523 A C 2.403 179.983 177.584 -0.006 0.000 1.175 523 A CA 1.411 53.464 52.037 0.025 0.000 0.627 523 A CB -0.489 18.579 19.000 0.114 0.000 0.815 523 A HN 0.328 nan 8.150 nan 0.000 0.443 524 R N -0.382 120.082 120.500 -0.060 0.000 2.120 524 R HA -0.148 4.205 4.340 0.021 0.000 0.234 524 R C 1.598 177.885 176.300 -0.022 0.000 1.123 524 R CA 1.678 57.748 56.100 -0.050 0.000 0.975 524 R CB -0.225 30.020 30.300 -0.091 0.000 0.866 524 R HN 0.569 nan 8.270 nan 0.000 0.446 525 D N -0.386 120.005 120.400 -0.016 0.000 2.349 525 D HA -0.037 4.616 4.640 0.021 0.000 0.215 525 D C 1.251 177.563 176.300 0.019 0.000 1.016 525 D CA 0.591 54.599 54.000 0.012 0.000 0.870 525 D CB 0.440 41.262 40.800 0.037 0.000 0.917 525 D HN 0.326 nan 8.370 nan 0.000 0.524 526 L N -0.514 120.719 121.223 0.016 0.000 2.948 526 L HA 0.256 4.609 4.340 0.021 0.000 0.259 526 L C 0.287 177.167 176.870 0.017 0.000 1.136 526 L CA -0.077 54.774 54.840 0.019 0.000 0.959 526 L CB 1.169 43.241 42.059 0.022 0.000 1.370 526 L HN -0.058 nan 8.230 nan 0.000 0.552 527 C N 1.253 120.564 119.300 0.018 0.000 2.295 527 C HA 0.285 4.757 4.460 0.021 0.000 0.331 527 C C 1.763 176.761 174.990 0.013 0.000 1.280 527 C CA -0.973 58.056 59.018 0.019 0.000 1.746 527 C CB 1.418 29.177 27.740 0.032 0.000 2.328 527 C HN 0.237 nan 8.230 nan 0.000 0.521 528 K N 1.143 121.549 120.400 0.010 0.000 2.103 528 K HA -0.043 4.289 4.320 0.021 0.000 0.207 528 K C 0.571 177.175 176.600 0.007 0.000 1.048 528 K CA 1.294 57.585 56.287 0.007 0.000 0.930 528 K CB 0.116 32.619 32.500 0.005 0.000 0.716 528 K HN 0.680 nan 8.250 nan 0.000 0.444 529 E N 0.568 120.773 120.200 0.009 0.000 2.199 529 E HA 0.316 4.679 4.350 0.021 0.000 0.269 529 E C -2.528 174.081 176.600 0.014 0.000 0.899 529 E CA -2.672 53.733 56.400 0.008 0.000 0.772 529 E CB 1.391 31.094 29.700 0.005 0.000 1.155 529 E HN -0.130 nan 8.360 nan 0.000 0.408 530 P HA 0.109 nan 4.420 nan 0.000 0.263 530 P C -2.410 174.905 177.300 0.025 0.000 1.195 530 P CA -0.706 62.410 63.100 0.026 0.000 0.762 530 P CB -0.241 31.470 31.700 0.020 0.000 0.799 531 P HA -0.014 nan 4.420 nan 0.000 0.268 531 P C 0.966 178.211 177.300 -0.092 0.000 1.205 531 P CA -0.017 63.078 63.100 -0.008 0.000 0.771 531 P CB 0.548 32.256 31.700 0.013 0.000 0.858 532 E N 2.393 122.531 120.200 -0.103 0.000 2.171 532 E HA -0.277 4.086 4.350 0.021 0.000 0.197 532 E C 1.547 178.004 176.600 -0.239 0.000 0.997 532 E CA 1.251 57.579 56.400 -0.120 0.000 0.810 532 E CB -0.201 29.450 29.700 -0.083 0.000 0.738 532 E HN 0.299 nan 8.360 nan 0.000 0.467 533 M N -0.203 119.120 119.600 -0.461 0.000 2.149 533 M HA -0.118 4.375 4.480 0.021 0.000 0.261 533 M C 1.072 176.789 176.300 -0.971 0.000 1.064 533 M CA 1.708 56.480 55.300 -0.879 0.000 1.102 533 M CB -0.160 31.433 32.600 -1.678 0.000 1.369 533 M HN 0.190 nan 8.290 nan 0.000 0.408 534 F N -1.938 117.729 119.950 -0.471 0.000 2.727 534 F HA 0.236 4.775 4.527 0.021 0.000 0.302 534 F C 1.620 177.339 175.800 -0.136 0.000 1.097 534 F CA -0.156 57.536 58.000 -0.513 0.000 1.330 534 F CB -0.158 38.512 39.000 -0.550 0.000 1.084 534 F HN 0.079 nan 8.300 nan 0.000 0.578 535 M N -0.846 118.762 119.600 0.013 0.000 2.461 535 M HA 0.049 4.542 4.480 0.021 0.000 0.255 535 M C 0.088 176.420 176.300 0.053 0.000 1.137 535 M CA 0.095 55.424 55.300 0.049 0.000 1.086 535 M CB 0.108 32.714 32.600 0.011 0.000 1.356 535 M HN -0.147 nan 8.290 nan 0.000 0.487 536 D N 1.800 122.216 120.400 0.027 0.000 2.531 536 D HA -0.118 4.535 4.640 0.021 0.000 0.239 536 D C 0.872 177.234 176.300 0.104 0.000 1.144 536 D CA 0.634 54.661 54.000 0.045 0.000 0.869 536 D CB 1.022 41.836 40.800 0.022 0.000 1.160 536 D HN 0.059 nan 8.370 nan 0.000 0.484 537 E N 2.188 122.425 120.200 0.062 0.000 2.130 537 E HA -0.191 4.172 4.350 0.021 0.000 0.196 537 E C 1.524 178.161 176.600 0.061 0.000 0.998 537 E CA 1.767 58.196 56.400 0.049 0.000 0.806 537 E CB -0.164 29.551 29.700 0.025 0.000 0.738 537 E HN 0.602 nan 8.360 nan 0.000 0.459 538 T N -0.479 114.128 114.554 0.088 0.000 2.684 538 T HA -0.217 4.145 4.350 0.021 0.000 0.267 538 T C 1.502 176.302 174.700 0.165 0.000 1.036 538 T CA 1.595 63.755 62.100 0.101 0.000 1.148 538 T CB -0.649 68.285 68.868 0.111 0.000 0.863 538 T HN 0.410 nan 8.240 nan 0.000 0.436 539 Y N 1.438 121.825 120.300 0.146 0.000 2.181 539 Y HA -0.061 4.501 4.550 0.021 0.000 0.288 539 Y C 2.046 177.993 175.900 0.078 0.000 1.146 539 Y CA 1.134 59.346 58.100 0.186 0.000 1.164 539 Y CB -0.325 38.206 38.460 0.119 0.000 0.982 539 Y HN 0.113 nan 8.280 nan 0.000 0.515 540 L N -0.490 120.714 121.223 -0.032 0.000 2.046 540 L HA -0.274 4.079 4.340 0.021 0.000 0.208 540 L C 2.555 179.298 176.870 -0.213 0.000 1.077 540 L CA 1.565 56.314 54.840 -0.151 0.000 0.747 540 L CB -0.546 41.495 42.059 -0.030 0.000 0.896 540 L HN 0.345 nan 8.230 nan 0.000 0.432 541 M N -0.322 119.198 119.600 -0.132 0.000 2.159 541 M HA -0.177 4.316 4.480 0.021 0.000 0.263 541 M C 2.596 178.771 176.300 -0.208 0.000 1.063 541 M CA 2.007 57.220 55.300 -0.145 0.000 1.110 541 M CB -0.366 32.185 32.600 -0.082 0.000 1.374 541 M HN 0.409 nan 8.290 nan 0.000 0.411 542 S N 0.161 115.749 115.700 -0.187 0.000 2.442 542 S HA -0.083 4.399 4.470 0.021 0.000 0.236 542 S C 1.219 175.596 174.600 -0.372 0.000 1.007 542 S CA 1.050 59.152 58.200 -0.163 0.000 0.965 542 S CB -0.405 62.805 63.200 0.017 0.000 0.773 542 S HN 0.459 nan 8.310 nan 0.000 0.504 543 N N 1.117 119.482 118.700 -0.558 0.000 2.235 543 N HA 0.198 4.951 4.740 0.021 0.000 0.209 543 N C -0.464 174.422 175.510 -1.039 0.000 1.122 543 N CA 0.039 52.570 53.050 -0.865 0.000 0.845 543 N CB 0.290 38.423 38.487 -0.590 0.000 1.004 543 N HN 0.471 nan 8.380 nan 0.000 0.499 544 R N 0.691 120.746 120.500 -0.741 0.000 2.369 544 R HA 0.240 4.592 4.340 0.021 0.000 0.310 544 R C -0.754 175.289 176.300 -0.427 0.000 1.141 544 R CA -0.488 55.318 56.100 -0.491 0.000 1.116 544 R CB -0.105 30.034 30.300 -0.268 0.000 1.135 544 R HN -0.104 nan 8.270 nan 0.000 0.529 545 F N 2.460 122.363 119.950 -0.079 0.000 2.541 545 F HA 0.043 4.583 4.527 0.022 0.000 0.347 545 F C 1.562 177.320 175.800 -0.069 0.000 1.242 545 F CA -0.564 57.402 58.000 -0.057 0.000 1.123 545 F CB 0.300 39.284 39.000 -0.027 0.000 1.354 545 F HN 0.222 nan 8.300 nan 0.000 0.621 546 V N 2.670 122.609 119.914 0.042 0.000 2.594 546 V HA -0.177 3.956 4.120 0.021 0.000 0.253 546 V C 1.039 177.139 176.094 0.009 0.000 1.069 546 V CA 1.119 63.406 62.300 -0.021 0.000 1.082 546 V CB -0.287 31.475 31.823 -0.102 0.000 0.680 546 V HN 0.502 nan 8.190 nan 0.000 0.469 547 L N 0.516 121.746 121.223 0.011 0.000 2.318 547 L HA 0.448 4.800 4.340 0.021 0.000 0.277 547 L C -0.324 176.620 176.870 0.123 0.000 1.008 547 L CA 0.039 54.894 54.840 0.024 0.000 0.846 547 L CB 1.549 43.555 42.059 -0.089 0.000 1.220 547 L HN 0.096 nan 8.230 nan 0.000 0.423 548 S N 2.629 118.426 115.700 0.162 0.000 2.456 548 S HA 0.718 5.201 4.470 0.021 0.000 0.316 548 S C -0.253 174.532 174.600 0.308 0.000 1.089 548 S CA -0.357 57.961 58.200 0.197 0.000 1.101 548 S CB 1.002 64.279 63.200 0.127 0.000 0.995 548 S HN 0.723 nan 8.310 nan 0.000 0.468 549 T N 0.961 115.715 114.554 0.333 0.000 2.865 549 T HA 0.878 5.241 4.350 0.021 0.000 0.294 549 T C -0.767 174.139 174.700 0.343 0.000 1.119 549 T CA -0.580 61.753 62.100 0.389 0.000 1.007 549 T CB 1.582 70.680 68.868 0.384 0.000 1.225 549 T HN 0.986 nan 8.240 nan 0.000 0.515 550 S N 0.250 116.119 115.700 0.283 0.000 2.565 550 S HA 0.452 4.935 4.470 0.021 0.000 0.274 550 S C -1.543 172.860 174.600 -0.328 0.000 1.144 550 S CA -0.994 57.260 58.200 0.090 0.000 0.849 550 S CB 1.601 64.925 63.200 0.207 0.000 1.103 550 S HN 1.179 nan 8.310 nan 0.000 0.455 551 Q N 1.337 120.898 119.800 -0.399 0.000 2.290 551 Q HA 0.675 5.028 4.340 0.021 0.000 0.259 551 Q C -1.651 174.220 176.000 -0.214 0.000 0.941 551 Q CA -0.794 54.628 55.803 -0.635 0.000 0.912 551 Q CB 1.510 30.036 28.738 -0.354 0.000 1.244 551 Q HN 0.673 nan 8.270 nan 0.000 0.441 552 V N 7.409 127.225 119.914 -0.164 0.000 2.320 552 V HA 0.358 4.491 4.120 0.021 0.000 0.268 552 V C -2.220 173.876 176.094 0.004 0.000 1.021 552 V CA -1.365 60.923 62.300 -0.020 0.000 0.813 552 V CB 0.966 32.819 31.823 0.049 0.000 1.054 552 V HN 0.792 nan 8.190 nan 0.000 0.444 553 P HA 0.367 nan 4.420 nan 0.000 0.279 553 P C -0.286 177.046 177.300 0.053 0.000 1.239 553 P CA 0.254 63.378 63.100 0.041 0.000 0.789 553 P CB 1.612 33.340 31.700 0.048 0.000 0.933 554 T N -2.551 112.041 114.554 0.063 0.000 2.906 554 T HA 0.462 4.825 4.350 0.021 0.000 0.295 554 T C 0.722 175.456 174.700 0.055 0.000 1.075 554 T CA -0.482 61.655 62.100 0.062 0.000 1.005 554 T CB 1.031 69.946 68.868 0.079 0.000 1.136 554 T HN 0.387 nan 8.240 nan 0.000 0.498 555 T N -0.570 114.010 114.554 0.044 0.000 3.145 555 T HA 0.421 4.783 4.350 0.021 0.000 0.255 555 T C 0.688 175.407 174.700 0.032 0.000 1.039 555 T CA -0.426 61.697 62.100 0.037 0.000 0.928 555 T CB -0.841 68.044 68.868 0.029 0.000 1.029 555 T HN 0.877 nan 8.240 nan 0.000 0.554 556 M N -1.434 118.189 119.600 0.039 0.000 3.213 556 M HA 0.552 5.045 4.480 0.021 0.000 0.278 556 M C -1.487 174.852 176.300 0.064 0.000 1.332 556 M CA -0.932 54.391 55.300 0.037 0.000 0.810 556 M CB 1.257 33.863 32.600 0.009 0.000 1.676 556 M HN -0.316 nan 8.290 nan 0.000 0.463 557 E N 2.390 122.629 120.200 0.065 0.000 1.896 557 E HA 0.262 4.625 4.350 0.021 0.000 0.276 557 E C -0.826 175.856 176.600 0.136 0.000 1.171 557 E CA 0.201 56.663 56.400 0.104 0.000 1.118 557 E CB -0.459 29.294 29.700 0.088 0.000 1.077 557 E HN 0.524 nan 8.360 nan 0.000 0.452 558 M N 0.125 119.830 119.600 0.176 0.000 2.732 558 M HA 0.581 5.074 4.480 0.021 0.000 0.272 558 M C -1.519 174.929 176.300 0.247 0.000 1.203 558 M CA -1.195 54.200 55.300 0.158 0.000 0.841 558 M CB 1.624 34.317 32.600 0.156 0.000 1.685 558 M HN 0.043 nan 8.290 nan 0.000 0.492 559 F N -0.695 119.330 119.950 0.125 0.000 2.654 559 F HA 0.842 5.381 4.527 0.021 0.000 0.308 559 F C -1.428 174.427 175.800 0.091 0.000 1.108 559 F CA -1.186 56.871 58.000 0.095 0.000 0.957 559 F CB 0.887 39.940 39.000 0.088 0.000 1.309 559 F HN 1.004 nan 8.300 nan 0.000 0.446 560 C N 2.738 122.204 119.300 0.276 0.000 2.366 560 C HA 0.940 5.413 4.460 0.021 0.000 0.345 560 C C 0.017 175.153 174.990 0.243 0.000 1.209 560 C CA -0.322 58.808 59.018 0.186 0.000 2.050 560 C CB -0.142 27.696 27.740 0.164 0.000 2.359 560 C HN 1.299 nan 8.230 nan 0.000 0.527 561 C N 4.481 123.878 119.300 0.162 0.000 3.239 561 C HA 0.991 5.463 4.460 0.021 0.000 0.317 561 C C -1.330 173.680 174.990 0.034 0.000 1.310 561 C CA -0.717 58.331 59.018 0.051 0.000 1.371 561 C CB 0.772 28.655 27.740 0.238 0.000 1.714 561 C HN 1.199 nan 8.230 nan 0.000 0.473 562 Y N -0.515 119.868 120.300 0.137 0.000 2.713 562 Y HA 0.817 5.379 4.550 0.021 0.000 0.335 562 Y C -0.056 175.892 175.900 0.079 0.000 1.222 562 Y CA -0.526 57.619 58.100 0.074 0.000 1.061 562 Y CB 0.269 38.793 38.460 0.106 0.000 1.314 562 Y HN 1.262 nan 8.280 nan 0.000 0.453 563 G N 0.270 109.239 108.800 0.281 0.000 2.535 563 G HA2 0.651 4.623 3.960 0.021 0.000 0.303 563 G HA3 0.651 4.623 3.960 0.021 0.000 0.303 563 G C -2.994 171.981 174.900 0.125 0.000 1.237 563 G CA -2.042 43.133 45.100 0.126 0.000 0.986 563 G HN 0.476 nan 8.290 nan 0.000 0.494 564 P HA 0.189 nan 4.420 nan 0.000 0.274 564 P C 0.843 178.148 177.300 0.009 0.000 1.246 564 P CA -0.313 62.714 63.100 -0.122 0.000 0.795 564 P CB 1.161 32.586 31.700 -0.458 0.000 1.006 565 V N -1.474 118.457 119.914 0.028 0.000 3.578 565 V HA 0.246 4.378 4.120 0.021 0.000 0.290 565 V C 0.349 176.471 176.094 0.047 0.000 1.376 565 V CA -0.014 62.304 62.300 0.029 0.000 1.083 565 V CB -0.350 31.451 31.823 -0.035 0.000 0.911 565 V HN 0.352 nan 8.190 nan 0.000 0.433 566 V N -5.270 114.693 119.914 0.082 0.000 2.971 566 V HA 0.634 4.767 4.120 0.021 0.000 0.309 566 V C -2.103 174.104 176.094 0.189 0.000 1.130 566 V CA -1.801 60.545 62.300 0.076 0.000 0.964 566 V CB 1.438 33.258 31.823 -0.005 0.000 1.029 566 V HN -0.017 nan 8.190 nan 0.000 0.427 567 P HA -0.150 nan 4.420 nan 0.000 0.217 567 P C 0.710 178.130 177.300 0.199 0.000 1.151 567 P CA 2.019 65.240 63.100 0.202 0.000 0.849 567 P CB -0.036 31.670 31.700 0.011 0.000 0.787 568 N N -1.276 117.457 118.700 0.055 0.000 2.321 568 N HA 0.144 4.896 4.740 0.021 0.000 0.242 568 N C 0.455 175.891 175.510 -0.123 0.000 1.141 568 N CA -0.096 52.939 53.050 -0.024 0.000 0.864 568 N CB -0.099 38.377 38.487 -0.019 0.000 1.100 568 N HN -0.027 nan 8.380 nan 0.000 0.510 569 G N -0.629 108.084 108.800 -0.145 0.000 2.667 569 G HA2 0.593 4.565 3.960 0.021 0.000 0.310 569 G HA3 0.593 4.565 3.960 0.021 0.000 0.310 569 G C -1.615 173.030 174.900 -0.425 0.000 1.259 569 G CA -0.509 44.469 45.100 -0.203 0.000 1.019 569 G HN 0.149 nan 8.290 nan 0.000 0.496 570 Y N -1.491 118.705 120.300 -0.173 0.000 2.524 570 Y HA 0.599 5.161 4.550 0.021 0.000 0.344 570 Y C 0.640 176.482 175.900 -0.097 0.000 1.012 570 Y CA -0.521 57.448 58.100 -0.218 0.000 1.068 570 Y CB 2.827 41.041 38.460 -0.411 0.000 1.249 570 Y HN 0.718 nan 8.280 nan 0.000 0.468 571 G N 0.674 109.556 108.800 0.138 0.000 2.557 571 G HA2 0.650 4.623 3.960 0.021 0.000 0.310 571 G HA3 0.650 4.623 3.960 0.021 0.000 0.310 571 G C -1.614 173.392 174.900 0.177 0.000 1.328 571 G CA -0.773 44.458 45.100 0.218 0.000 0.945 571 G HN 0.758 nan 8.290 nan 0.000 0.494 572 A N 1.496 124.462 122.820 0.244 0.000 2.375 572 A HA 0.579 4.912 4.320 0.021 0.000 0.291 572 A C -0.637 177.107 177.584 0.267 0.000 1.160 572 A CA -0.542 51.656 52.037 0.268 0.000 0.747 572 A CB 0.931 20.172 19.000 0.402 0.000 1.170 572 A HN 1.073 nan 8.150 nan 0.000 0.458 573 C N 4.275 123.619 119.300 0.073 0.000 2.322 573 C HA 0.885 5.358 4.460 0.021 0.000 0.324 573 C C -0.910 174.130 174.990 0.083 0.000 1.284 573 C CA -0.672 58.351 59.018 0.007 0.000 1.606 573 C CB -0.390 27.216 27.740 -0.224 0.000 2.251 573 C HN 0.826 nan 8.230 nan 0.000 0.502 574 Y N 3.397 123.698 120.300 0.002 0.000 2.536 574 Y HA 0.660 5.223 4.550 0.021 0.000 0.347 574 Y C -0.454 175.365 175.900 -0.136 0.000 1.000 574 Y CA -1.440 56.523 58.100 -0.229 0.000 1.051 574 Y CB 0.847 38.958 38.460 -0.582 0.000 1.259 574 Y HN 0.551 nan 8.280 nan 0.000 0.468 575 N N 3.033 121.704 118.700 -0.050 0.000 2.626 575 N HA 0.467 5.220 4.740 0.021 0.000 0.249 575 N C -3.329 172.193 175.510 0.020 0.000 1.021 575 N CA -2.553 50.500 53.050 0.004 0.000 0.886 575 N CB 1.405 39.919 38.487 0.045 0.000 1.149 575 N HN 0.366 nan 8.380 nan 0.000 0.517 576 P HA 0.167 nan 4.420 nan 0.000 0.276 576 P C -0.619 176.726 177.300 0.075 0.000 1.253 576 P CA -0.051 63.102 63.100 0.089 0.000 0.766 576 P CB 0.732 32.522 31.700 0.150 0.000 0.845 577 Q N 4.544 124.384 119.800 0.066 0.000 2.306 577 Q HA 0.322 4.674 4.340 0.021 0.000 0.269 577 Q C -1.801 174.242 176.000 0.072 0.000 1.053 577 Q CA -2.114 53.725 55.803 0.060 0.000 0.879 577 Q CB 0.261 29.024 28.738 0.043 0.000 1.344 577 Q HN 0.140 nan 8.270 nan 0.000 0.464 578 P HA -0.132 nan 4.420 nan 0.000 0.215 578 P C 0.451 177.803 177.300 0.086 0.000 1.153 578 P CA 1.473 64.616 63.100 0.071 0.000 0.853 578 P CB 0.471 32.202 31.700 0.053 0.000 0.788 579 E N -1.752 118.484 120.200 0.059 0.000 2.538 579 E HA 0.461 4.824 4.350 0.021 0.000 0.207 579 E C 0.382 176.984 176.600 0.003 0.000 1.002 579 E CA -0.074 56.355 56.400 0.047 0.000 0.952 579 E CB 0.878 30.589 29.700 0.018 0.000 1.031 579 E HN 0.086 nan 8.360 nan 0.000 0.476 580 A N 0.533 123.362 122.820 0.015 0.000 2.586 580 A HA 0.748 5.080 4.320 0.021 0.000 0.290 580 A C -1.464 176.147 177.584 0.044 0.000 1.086 580 A CA -0.674 51.350 52.037 -0.022 0.000 0.665 580 A CB 1.062 20.026 19.000 -0.060 0.000 1.279 580 A HN 0.060 nan 8.150 nan 0.000 0.423 581 I N 0.864 121.485 120.570 0.086 0.000 2.512 581 I HA 0.363 4.546 4.170 0.021 0.000 0.287 581 I C -0.582 175.532 176.117 -0.006 0.000 1.069 581 I CA -0.376 60.947 61.300 0.038 0.000 1.056 581 I CB 2.511 40.557 38.000 0.077 0.000 1.229 581 I HN 0.542 nan 8.210 nan 0.000 0.429 582 T N 5.913 120.398 114.554 -0.116 0.000 2.744 582 T HA 0.522 4.884 4.350 0.021 0.000 0.291 582 T C -0.639 173.950 174.700 -0.185 0.000 0.957 582 T CA -0.068 61.973 62.100 -0.098 0.000 1.002 582 T CB 0.263 69.067 68.868 -0.107 0.000 0.919 582 T HN 0.129 nan 8.240 nan 0.000 0.468 583 F N 1.718 121.715 119.950 0.079 0.000 2.426 583 F HA 0.404 4.944 4.527 0.021 0.000 0.348 583 F C 0.236 176.040 175.800 0.006 0.000 1.124 583 F CA -0.893 57.177 58.000 0.117 0.000 1.008 583 F CB 1.043 40.143 39.000 0.166 0.000 1.139 583 F HN 0.438 nan 8.300 nan 0.000 0.452 584 C N 5.776 125.169 119.300 0.156 0.000 2.251 584 C HA 0.636 5.109 4.460 0.021 0.000 0.323 584 C C 0.112 175.127 174.990 0.042 0.000 1.241 584 C CA -0.962 58.075 59.018 0.031 0.000 1.601 584 C CB -0.818 27.046 27.740 0.206 0.000 2.251 584 C HN 0.577 nan 8.230 nan 0.000 0.488 585 I N 3.952 124.437 120.570 -0.141 0.000 2.433 585 I HA 0.503 4.685 4.170 0.021 0.000 0.292 585 I C 0.219 176.320 176.117 -0.026 0.000 1.001 585 I CA 0.290 61.589 61.300 -0.001 0.000 1.119 585 I CB 1.775 39.818 38.000 0.072 0.000 1.289 585 I HN 0.705 nan 8.210 nan 0.000 0.438 586 S N 3.898 119.677 115.700 0.131 0.000 2.599 586 S HA 0.941 5.424 4.470 0.021 0.000 0.287 586 S C -0.570 173.988 174.600 -0.071 0.000 1.105 586 S CA -0.568 57.704 58.200 0.121 0.000 0.899 586 S CB 2.236 65.557 63.200 0.202 0.000 1.100 586 S HN 0.762 nan 8.310 nan 0.000 0.482 587 S N 0.112 115.654 115.700 -0.263 0.000 2.643 587 S HA 0.650 5.132 4.470 0.021 0.000 0.266 587 S C -1.695 172.603 174.600 -0.504 0.000 1.130 587 S CA -1.151 56.728 58.200 -0.535 0.000 0.817 587 S CB 0.001 62.871 63.200 -0.550 0.000 1.107 587 S HN 0.673 nan 8.310 nan 0.000 0.471 588 F N 1.062 120.896 119.950 -0.192 0.000 2.415 588 F HA 0.465 5.004 4.527 0.021 0.000 0.348 588 F C 1.649 177.383 175.800 -0.110 0.000 1.119 588 F CA -0.714 57.203 58.000 -0.138 0.000 1.069 588 F CB 1.098 40.048 39.000 -0.084 0.000 1.124 588 F HN 0.807 nan 8.300 nan 0.000 0.472 589 H N 0.206 119.391 119.070 0.192 0.000 2.457 589 H HA -0.157 4.412 4.556 0.021 0.000 0.297 589 H C 2.182 177.554 175.328 0.073 0.000 1.092 589 H CA 1.558 57.667 56.048 0.102 0.000 1.309 589 H CB 0.270 30.082 29.762 0.084 0.000 1.382 589 H HN 0.611 nan 8.280 nan 0.000 0.535 590 S N -0.498 115.313 115.700 0.185 0.000 2.507 590 S HA -0.108 4.374 4.470 0.021 0.000 0.235 590 S C 1.036 175.676 174.600 0.067 0.000 0.988 590 S CA 0.223 58.473 58.200 0.083 0.000 0.944 590 S CB -0.451 62.750 63.200 0.002 0.000 0.762 590 S HN 0.383 nan 8.310 nan 0.000 0.526 591 C N 2.822 122.177 119.300 0.092 0.000 2.239 591 C HA 0.519 4.992 4.460 0.021 0.000 0.323 591 C C 1.491 176.517 174.990 0.060 0.000 1.205 591 C CA -1.083 57.971 59.018 0.060 0.000 1.584 591 C CB -0.337 27.432 27.740 0.047 0.000 2.201 591 C HN 0.586 nan 8.230 nan 0.000 0.475 592 K N 2.272 122.706 120.400 0.055 0.000 2.152 592 K HA -0.158 4.175 4.320 0.021 0.000 0.206 592 K C 1.095 177.734 176.600 0.065 0.000 1.048 592 K CA 1.773 58.093 56.287 0.056 0.000 0.933 592 K CB 0.152 32.676 32.500 0.040 0.000 0.721 592 K HN 0.724 nan 8.250 nan 0.000 0.447 593 E N 0.502 120.750 120.200 0.081 0.000 2.494 593 E HA -0.031 4.331 4.350 0.021 0.000 0.193 593 E C 0.015 176.745 176.600 0.216 0.000 1.074 593 E CA 0.384 56.871 56.400 0.145 0.000 0.867 593 E CB 0.349 30.168 29.700 0.198 0.000 0.924 593 E HN 0.295 nan 8.360 nan 0.000 0.502 594 T N -2.742 111.873 114.554 0.102 0.000 2.893 594 T HA 0.646 5.009 4.350 0.021 0.000 0.291 594 T C -0.382 174.365 174.700 0.079 0.000 1.028 594 T CA -1.005 61.128 62.100 0.055 0.000 0.995 594 T CB 1.967 70.601 68.868 -0.390 0.000 1.051 594 T HN -0.111 nan 8.240 nan 0.000 0.470 595 S N 1.060 116.890 115.700 0.216 0.000 2.689 595 S HA 0.410 4.893 4.470 0.021 0.000 0.274 595 S C 0.864 175.636 174.600 0.287 0.000 1.176 595 S CA -0.598 57.710 58.200 0.180 0.000 1.014 595 S CB 1.296 64.577 63.200 0.135 0.000 1.071 595 S HN 0.714 nan 8.310 nan 0.000 0.478 596 S N 3.004 118.821 115.700 0.195 0.000 2.382 596 S HA -0.095 4.388 4.470 0.021 0.000 0.228 596 S C 1.867 176.526 174.600 0.098 0.000 1.027 596 S CA 1.662 59.981 58.200 0.199 0.000 0.991 596 S CB -0.200 63.039 63.200 0.065 0.000 0.823 596 S HN 0.667 nan 8.310 nan 0.000 0.469 597 V N 1.528 121.476 119.914 0.055 0.000 2.379 597 V HA -0.128 4.005 4.120 0.021 0.000 0.245 597 V C 2.344 178.404 176.094 -0.056 0.000 1.044 597 V CA 1.485 63.779 62.300 -0.010 0.000 1.036 597 V CB -0.611 31.223 31.823 0.018 0.000 0.664 597 V HN 0.437 nan 8.190 nan 0.000 0.453 598 E N -0.506 119.692 120.200 -0.002 0.000 2.077 598 E HA -0.237 4.126 4.350 0.021 0.000 0.193 598 E C 2.033 178.571 176.600 -0.103 0.000 0.989 598 E CA 1.537 57.908 56.400 -0.048 0.000 0.800 598 E CB -0.175 29.517 29.700 -0.013 0.000 0.746 598 E HN 0.586 nan 8.360 nan 0.000 0.452 599 F N 1.037 120.874 119.950 -0.188 0.000 2.134 599 F HA -0.145 4.395 4.527 0.021 0.000 0.299 599 F C 2.075 177.631 175.800 -0.407 0.000 1.097 599 F CA 1.349 59.157 58.000 -0.319 0.000 1.264 599 F CB -0.353 38.348 39.000 -0.498 0.000 1.001 599 F HN -0.036 nan 8.300 nan 0.000 0.479 600 A N 0.198 122.758 122.820 -0.433 0.000 1.877 600 A HA -0.210 4.123 4.320 0.021 0.000 0.216 600 A C 2.124 179.088 177.584 -1.034 0.000 1.186 600 A CA 1.897 53.449 52.037 -0.809 0.000 0.620 600 A CB -0.894 17.675 19.000 -0.720 0.000 0.822 600 A HN 0.544 nan 8.150 nan 0.000 0.443 601 E N -0.257 119.548 120.200 -0.659 0.000 2.150 601 E HA -0.080 4.282 4.350 0.021 0.000 0.193 601 E C 2.193 178.547 176.600 -0.410 0.000 0.985 601 E CA 0.799 56.927 56.400 -0.453 0.000 0.814 601 E CB -0.260 29.304 29.700 -0.227 0.000 0.752 601 E HN 0.632 nan 8.360 nan 0.000 0.466 602 A N 1.018 123.552 122.820 -0.475 0.000 1.968 602 A HA -0.085 4.247 4.320 0.021 0.000 0.217 602 A C 2.465 179.723 177.584 -0.544 0.000 1.169 602 A CA 0.766 52.537 52.037 -0.442 0.000 0.638 602 A CB -0.351 18.382 19.000 -0.445 0.000 0.812 602 A HN 0.095 nan 8.150 nan 0.000 0.446 603 V N -0.111 119.327 119.914 -0.793 0.000 2.358 603 V HA -0.140 3.993 4.120 0.021 0.000 0.246 603 V C 2.793 178.500 176.094 -0.645 0.000 1.047 603 V CA 1.808 63.613 62.300 -0.825 0.000 1.035 603 V CB -1.388 29.741 31.823 -1.157 0.000 0.658 603 V HN 0.581 nan 8.190 nan 0.000 0.452 604 G N -0.132 108.350 108.800 -0.530 0.000 2.433 604 G HA2 -0.220 3.753 3.960 0.021 0.000 0.216 604 G HA3 -0.220 3.753 3.960 0.021 0.000 0.216 604 G C 1.806 176.614 174.900 -0.154 0.000 1.186 604 G CA 1.073 46.032 45.100 -0.235 0.000 0.779 604 G HN 0.591 nan 8.290 nan 0.000 0.543 605 A N 0.731 123.464 122.820 -0.145 0.000 1.917 605 A HA -0.056 4.277 4.320 0.021 0.000 0.219 605 A C 2.704 180.238 177.584 -0.082 0.000 1.182 605 A CA 2.431 54.421 52.037 -0.079 0.000 0.633 605 A CB -0.704 18.233 19.000 -0.104 0.000 0.819 605 A HN 0.327 nan 8.150 nan 0.000 0.448 606 S N -0.324 115.277 115.700 -0.166 0.000 2.382 606 S HA -0.068 4.415 4.470 0.021 0.000 0.228 606 S C 1.761 176.325 174.600 -0.059 0.000 1.027 606 S CA 1.395 59.518 58.200 -0.128 0.000 0.991 606 S CB -0.402 62.680 63.200 -0.196 0.000 0.823 606 S HN 0.519 nan 8.310 nan 0.000 0.469 607 L N 0.824 121.965 121.223 -0.136 0.000 2.141 607 L HA -0.034 4.319 4.340 0.021 0.000 0.209 607 L C 2.175 179.242 176.870 0.329 0.000 1.094 607 L CA 0.628 55.476 54.840 0.014 0.000 0.763 607 L CB -0.458 41.221 42.059 -0.634 0.000 0.908 607 L HN 0.206 nan 8.230 nan 0.000 0.437 608 V N -0.603 119.451 119.914 0.234 0.000 2.407 608 V HA -0.217 3.915 4.120 0.021 0.000 0.245 608 V C 2.019 178.230 176.094 0.195 0.000 1.041 608 V CA 1.592 64.061 62.300 0.281 0.000 1.040 608 V CB -0.404 31.541 31.823 0.203 0.000 0.671 608 V HN 0.367 nan 8.190 nan 0.000 0.455 609 D N -0.016 120.461 120.400 0.128 0.000 2.123 609 D HA -0.180 4.473 4.640 0.021 0.000 0.196 609 D C 2.148 178.539 176.300 0.152 0.000 0.992 609 D CA 1.533 55.592 54.000 0.098 0.000 0.833 609 D CB -0.260 40.561 40.800 0.035 0.000 0.954 609 D HN 0.339 nan 8.370 nan 0.000 0.455 610 M N -0.252 119.472 119.600 0.207 0.000 2.229 610 M HA -0.089 4.404 4.480 0.021 0.000 0.264 610 M C 2.218 178.755 176.300 0.394 0.000 1.063 610 M CA 0.891 56.364 55.300 0.288 0.000 1.114 610 M CB 0.041 32.775 32.600 0.224 0.000 1.387 610 M HN -0.087 nan 8.290 nan 0.000 0.420 611 R N 0.488 121.204 120.500 0.360 0.000 2.090 611 R HA -0.130 4.223 4.340 0.021 0.000 0.228 611 R C 1.345 177.765 176.300 0.199 0.000 1.110 611 R CA 1.510 57.755 56.100 0.242 0.000 0.973 611 R CB -0.055 30.152 30.300 -0.155 0.000 0.869 611 R HN 0.267 nan 8.270 nan 0.000 0.440 612 D N 0.854 121.346 120.400 0.153 0.000 2.178 612 D HA -0.162 4.491 4.640 0.021 0.000 0.201 612 D C 1.822 178.201 176.300 0.132 0.000 0.980 612 D CA 0.740 54.810 54.000 0.117 0.000 0.842 612 D CB -0.051 40.804 40.800 0.092 0.000 0.948 612 D HN 0.200 nan 8.370 nan 0.000 0.472 613 L N 0.547 121.867 121.223 0.163 0.000 2.056 613 L HA -0.101 4.252 4.340 0.021 0.000 0.207 613 L C 2.159 179.129 176.870 0.167 0.000 1.078 613 L CA 1.475 56.408 54.840 0.156 0.000 0.749 613 L CB -0.467 41.705 42.059 0.188 0.000 0.901 613 L HN 0.015 nan 8.230 nan 0.000 0.433 614 C N -1.101 118.334 119.300 0.224 0.000 2.432 614 C HA -0.039 4.434 4.460 0.021 0.000 0.280 614 C C 2.793 177.869 174.990 0.144 0.000 1.353 614 C CA 0.983 60.118 59.018 0.196 0.000 1.766 614 C CB -1.138 26.748 27.740 0.244 0.000 1.924 614 C HN 0.587 nan 8.230 nan 0.000 0.509 615 S N 0.062 115.860 115.700 0.164 0.000 2.453 615 S HA -0.106 4.377 4.470 0.021 0.000 0.231 615 S C 1.700 176.348 174.600 0.079 0.000 1.005 615 S CA 0.877 59.149 58.200 0.120 0.000 0.949 615 S CB -0.240 63.027 63.200 0.111 0.000 0.774 615 S HN 0.638 nan 8.310 nan 0.000 0.510 616 S N 1.023 116.772 115.700 0.081 0.000 2.763 616 S HA 0.243 4.726 4.470 0.021 0.000 0.237 616 S C 0.370 175.002 174.600 0.052 0.000 0.966 616 S CA -0.454 57.783 58.200 0.062 0.000 1.017 616 S CB -0.143 63.096 63.200 0.065 0.000 0.780 616 S HN 0.380 nan 8.310 nan 0.000 0.476 617 R N 0.000 120.528 120.500 0.047 0.000 2.786 617 R HA 0.000 4.353 4.340 0.021 0.000 0.208 617 R CA 0.000 56.118 56.100 0.030 0.000 0.921 617 R CB 0.000 30.315 30.300 0.024 0.000 0.687 617 R HN 0.000 nan 8.270 nan 0.000 0.535