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 1w63_1_C DATA FIRST_RESID 1 DATA SEQUENCE MPAPIRLREL IRTIRTARTQ AEEREMIQKE CAAIRSSFRE EDNTYRCRNV DATA SEQUENCE AKLLYMHMLG YPAHFGQLEC LKLIASQKFT DKRIGYLGAM LLLDERQDVH DATA SEQUENCE LLMTNCIKND LNHSTQFVQG LALCTLGCMG SSEMCRDLAG EVEKLLKTSN DATA SEQUENCE SYLRKKAALC AVHVIRKVPE LMEMFLPATK NLLNEKNHGV LHTSVVLLTE DATA SEQUENCE MCERSPDMLA HFRKLVPQLV RILKNLIMSG YSPEHDVSGI SDPFLQVRIL DATA SEQUENCE RLLRILGRND DDSSEAMNDI LAQVATNTET SKNVGNAILY ETVLTIMDIK DATA SEQUENCE SESGLRVLAI NILGRFLLNN DKNIRYVALT SLLKTVQTDH NAVQRHRSTI DATA SEQUENCE VDCLKDLDVS IKRRAMELSF ALVNGNNIRG MMKELLYFLD SCEPEFKADC DATA SEQUENCE ASGIFLAAEK YAPSKRWHID TIMRVLTTAG SYVRDDAVPN LIQLITNSVE DATA SEQUENCE MHAYTVQRLY KAILGDYSQQ PLVQVAAWCI GEYGDLLVSG QCEEEEPIQV DATA SEQUENCE TEDEVLDILE SVLISNMSTS VTRGYALTAI MKLSTRFTCT VNRIKKVVSI DATA SEQUENCE YGSSIDVELQ QRAVEYNALF KKYDHMRSAL LERMPVMEKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.268 176.300 -0.053 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 P HA 0.416 nan 4.420 nan 0.000 0.276 2 P C -0.223 177.027 177.300 -0.082 0.000 1.264 2 P CA -0.293 62.750 63.100 -0.095 0.000 0.815 2 P CB 0.607 32.221 31.700 -0.143 0.000 1.121 3 A N -0.961 121.820 122.820 -0.065 0.000 2.897 3 A HA 0.394 4.714 4.320 -0.000 0.000 0.230 3 A C -2.226 175.363 177.584 0.009 0.000 0.896 3 A CA -0.847 51.180 52.037 -0.017 0.000 1.114 3 A CB -1.368 17.629 19.000 -0.006 0.000 1.230 3 A HN 0.547 nan 8.150 nan 0.000 0.481 4 P HA -0.088 nan 4.420 nan 0.000 0.258 4 P C 0.105 177.461 177.300 0.094 0.000 1.128 4 P CA 0.800 63.930 63.100 0.051 0.000 0.760 4 P CB 0.035 31.805 31.700 0.116 0.000 0.715 5 I N 1.977 122.572 120.570 0.042 0.000 3.060 5 I HA 0.149 4.319 4.170 -0.000 0.000 0.285 5 I C 1.261 177.403 176.117 0.041 0.000 1.190 5 I CA -0.211 61.103 61.300 0.023 0.000 1.363 5 I CB 0.326 38.316 38.000 -0.018 0.000 1.396 5 I HN 0.340 nan 8.210 nan 0.000 0.607 6 R N 3.216 123.725 120.500 0.015 0.000 2.604 6 R HA 0.347 4.687 4.340 -0.000 0.000 0.287 6 R C 0.888 177.176 176.300 -0.019 0.000 0.970 6 R CA -0.694 55.411 56.100 0.009 0.000 0.946 6 R CB 1.264 31.564 30.300 0.001 0.000 1.127 6 R HN 0.695 nan 8.270 nan 0.000 0.473 7 L N 3.271 124.484 121.223 -0.016 0.000 2.035 7 L HA -0.373 3.967 4.340 -0.000 0.000 0.243 7 L C 2.045 178.870 176.870 -0.075 0.000 1.100 7 L CA 1.991 56.808 54.840 -0.038 0.000 0.835 7 L CB -0.296 41.759 42.059 -0.006 0.000 0.927 7 L HN 0.802 nan 8.230 nan 0.000 0.442 8 R N -0.628 119.844 120.500 -0.047 0.000 2.168 8 R HA -0.330 4.010 4.340 -0.000 0.000 0.242 8 R C 2.074 178.327 176.300 -0.079 0.000 1.123 8 R CA 2.163 58.232 56.100 -0.053 0.000 0.928 8 R CB -0.824 29.461 30.300 -0.024 0.000 0.873 8 R HN 0.506 nan 8.270 nan 0.000 0.434 9 E N 1.025 121.190 120.200 -0.057 0.000 2.149 9 E HA -0.268 4.082 4.350 -0.000 0.000 0.215 9 E C 1.672 178.216 176.600 -0.092 0.000 1.055 9 E CA 1.943 58.308 56.400 -0.058 0.000 0.870 9 E CB -0.553 29.123 29.700 -0.039 0.000 0.764 9 E HN 0.221 nan 8.360 nan 0.000 0.463 10 L N 0.444 121.594 121.223 -0.121 0.000 1.941 10 L HA -0.205 4.135 4.340 -0.000 0.000 0.224 10 L C 2.439 179.164 176.870 -0.243 0.000 1.081 10 L CA 2.446 57.179 54.840 -0.178 0.000 0.784 10 L CB -1.243 40.686 42.059 -0.218 0.000 0.894 10 L HN 0.425 nan 8.230 nan 0.000 0.436 11 I N -0.602 119.751 120.570 -0.362 0.000 2.094 11 I HA -0.442 3.728 4.170 -0.000 0.000 0.236 11 I C 2.675 178.683 176.117 -0.182 0.000 1.016 11 I CA 1.990 63.047 61.300 -0.405 0.000 1.294 11 I CB -0.743 37.071 38.000 -0.311 0.000 1.006 11 I HN 0.446 nan 8.210 nan 0.000 0.397 12 R N 0.716 121.148 120.500 -0.114 0.000 2.228 12 R HA -0.218 4.122 4.340 -0.000 0.000 0.259 12 R C 2.082 178.342 176.300 -0.066 0.000 1.183 12 R CA 2.480 58.541 56.100 -0.064 0.000 1.002 12 R CB -0.868 29.402 30.300 -0.049 0.000 0.879 12 R HN 0.493 nan 8.270 nan 0.000 0.467 13 T N 0.487 114.986 114.554 -0.091 0.000 2.851 13 T HA -0.048 4.302 4.350 -0.000 0.000 0.262 13 T C 1.745 176.399 174.700 -0.076 0.000 1.043 13 T CA 1.124 63.178 62.100 -0.078 0.000 1.140 13 T CB -0.087 68.728 68.868 -0.088 0.000 0.872 13 T HN 0.148 nan 8.240 nan 0.000 0.446 14 I N 1.080 121.588 120.570 -0.104 0.000 2.916 14 I HA -0.006 4.164 4.170 -0.000 0.000 0.267 14 I C 2.339 178.435 176.117 -0.035 0.000 1.263 14 I CA 0.751 62.005 61.300 -0.078 0.000 1.471 14 I CB -0.477 37.464 38.000 -0.099 0.000 1.089 14 I HN 0.012 nan 8.210 nan 0.000 0.468 15 R N -0.047 120.434 120.500 -0.032 0.000 2.148 15 R HA 0.018 4.358 4.340 -0.000 0.000 0.223 15 R C 1.942 178.235 176.300 -0.011 0.000 1.088 15 R CA 1.230 57.324 56.100 -0.010 0.000 0.985 15 R CB -0.858 29.436 30.300 -0.010 0.000 0.880 15 R HN 0.330 nan 8.270 nan 0.000 0.451 16 T N 1.394 115.936 114.554 -0.020 0.000 2.995 16 T HA 0.039 4.389 4.350 -0.000 0.000 0.269 16 T C 0.954 175.647 174.700 -0.012 0.000 1.091 16 T CA 0.591 62.681 62.100 -0.016 0.000 1.128 16 T CB -0.149 68.706 68.868 -0.021 0.000 0.891 16 T HN 0.290 nan 8.240 nan 0.000 0.492 17 A N 1.836 124.648 122.820 -0.013 0.000 2.600 17 A HA -0.019 4.301 4.320 -0.000 0.000 0.244 17 A C 1.225 178.809 177.584 0.001 0.000 1.016 17 A CA 0.402 52.436 52.037 -0.007 0.000 0.778 17 A CB 0.056 19.053 19.000 -0.004 0.000 0.920 17 A HN 0.537 nan 8.150 nan 0.000 0.513 18 R N 0.962 121.464 120.500 0.002 0.000 2.344 18 R HA 0.141 4.481 4.340 -0.000 0.000 0.209 18 R C -0.396 175.909 176.300 0.009 0.000 0.886 18 R CA 0.618 56.721 56.100 0.005 0.000 1.040 18 R CB 0.595 30.896 30.300 0.002 0.000 1.114 18 R HN 0.634 nan 8.270 nan 0.000 0.547 19 T N 0.614 115.175 114.554 0.012 0.000 2.971 19 T HA 0.114 4.464 4.350 -0.000 0.000 0.304 19 T C 0.342 175.058 174.700 0.026 0.000 1.038 19 T CA -0.693 61.417 62.100 0.017 0.000 1.007 19 T CB 2.488 71.364 68.868 0.014 0.000 1.055 19 T HN -0.099 nan 8.240 nan 0.000 0.451 20 Q N 1.629 121.448 119.800 0.032 0.000 2.156 20 Q HA -0.237 4.103 4.340 -0.000 0.000 0.211 20 Q C 2.449 178.482 176.000 0.054 0.000 0.995 20 Q CA 2.111 57.943 55.803 0.049 0.000 0.877 20 Q CB -0.611 28.154 28.738 0.046 0.000 0.920 20 Q HN 0.855 nan 8.270 nan 0.000 0.416 21 A N 1.109 123.952 122.820 0.038 0.000 1.873 21 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 21 A C 2.067 179.673 177.584 0.037 0.000 1.193 21 A CA 1.943 54.001 52.037 0.035 0.000 0.629 21 A CB -0.779 18.235 19.000 0.023 0.000 0.826 21 A HN 0.517 nan 8.150 nan 0.000 0.447 22 E N -0.419 119.797 120.200 0.026 0.000 2.049 22 E HA -0.303 4.047 4.350 -0.000 0.000 0.198 22 E C 2.014 178.627 176.600 0.021 0.000 1.007 22 E CA 1.678 58.089 56.400 0.018 0.000 0.809 22 E CB -0.234 29.472 29.700 0.009 0.000 0.749 22 E HN 0.732 nan 8.360 nan 0.000 0.450 23 E N 0.209 120.427 120.200 0.031 0.000 2.068 23 E HA -0.331 4.019 4.350 -0.000 0.000 0.207 23 E C 2.178 178.809 176.600 0.052 0.000 1.032 23 E CA 1.899 58.316 56.400 0.028 0.000 0.839 23 E CB -0.040 29.697 29.700 0.062 0.000 0.758 23 E HN 0.183 nan 8.360 nan 0.000 0.457 24 R N 0.344 120.915 120.500 0.119 0.000 2.154 24 R HA -0.277 4.063 4.340 -0.000 0.000 0.236 24 R C 2.379 178.724 176.300 0.076 0.000 1.121 24 R CA 2.040 58.233 56.100 0.155 0.000 0.915 24 R CB -0.655 29.712 30.300 0.112 0.000 0.856 24 R HN 0.236 nan 8.270 nan 0.000 0.431 25 E N 0.759 120.985 120.200 0.043 0.000 2.144 25 E HA -0.325 4.025 4.350 -0.000 0.000 0.243 25 E C 1.773 178.371 176.600 -0.003 0.000 1.043 25 E CA 2.565 58.974 56.400 0.016 0.000 0.952 25 E CB -0.491 29.214 29.700 0.008 0.000 0.849 25 E HN 0.257 nan 8.360 nan 0.000 0.522 26 M N -0.350 119.240 119.600 -0.017 0.000 2.308 26 M HA -0.296 4.184 4.480 -0.000 0.000 0.257 26 M C 2.422 178.685 176.300 -0.061 0.000 1.070 26 M CA 2.559 57.833 55.300 -0.044 0.000 1.080 26 M CB -0.748 31.819 32.600 -0.056 0.000 1.274 26 M HN 0.304 nan 8.290 nan 0.000 0.434 27 I N -0.590 119.939 120.570 -0.069 0.000 2.053 27 I HA -0.407 3.763 4.170 -0.000 0.000 0.236 27 I C 2.677 178.759 176.117 -0.057 0.000 1.038 27 I CA 2.063 63.307 61.300 -0.093 0.000 1.304 27 I CB -0.893 37.035 38.000 -0.121 0.000 1.023 27 I HN 0.512 nan 8.210 nan 0.000 0.395 28 Q N 1.282 121.082 119.800 0.000 0.000 2.156 28 Q HA -0.318 4.022 4.340 -0.000 0.000 0.211 28 Q C 2.250 178.220 176.000 -0.050 0.000 0.995 28 Q CA 2.377 58.173 55.803 -0.011 0.000 0.877 28 Q CB -0.154 28.597 28.738 0.022 0.000 0.920 28 Q HN 0.391 nan 8.270 nan 0.000 0.416 29 K N -0.316 120.056 120.400 -0.046 0.000 2.148 29 K HA -0.211 4.109 4.320 -0.000 0.000 0.204 29 K C 1.837 178.386 176.600 -0.084 0.000 1.050 29 K CA 1.436 57.690 56.287 -0.055 0.000 0.942 29 K CB 0.028 32.502 32.500 -0.043 0.000 0.724 29 K HN 0.095 nan 8.250 nan 0.000 0.446 30 E N 0.908 121.049 120.200 -0.099 0.000 1.998 30 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 30 E C 2.106 178.602 176.600 -0.174 0.000 0.994 30 E CA 1.970 58.295 56.400 -0.124 0.000 0.835 30 E CB -0.718 28.906 29.700 -0.126 0.000 0.786 30 E HN 0.486 nan 8.360 nan 0.000 0.467 31 C N 1.090 120.259 119.300 -0.218 0.000 2.396 31 C HA -0.101 4.359 4.460 -0.000 0.000 0.279 31 C C 2.691 177.460 174.990 -0.369 0.000 1.229 31 C CA 1.005 59.806 59.018 -0.362 0.000 1.801 31 C CB -1.715 25.742 27.740 -0.471 0.000 2.050 31 C HN 0.442 nan 8.230 nan 0.000 0.491 32 A N 1.806 124.489 122.820 -0.229 0.000 1.851 32 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 32 A C 2.644 180.141 177.584 -0.145 0.000 1.195 32 A CA 2.858 54.809 52.037 -0.142 0.000 0.622 32 A CB -1.422 17.531 19.000 -0.078 0.000 0.831 32 A HN 1.134 nan 8.150 nan 0.000 0.444 33 A N -0.560 122.174 122.820 -0.143 0.000 2.015 33 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 33 A C 2.093 179.558 177.584 -0.200 0.000 1.163 33 A CA 1.406 53.362 52.037 -0.134 0.000 0.646 33 A CB -0.572 18.365 19.000 -0.106 0.000 0.806 33 A HN 0.524 nan 8.150 nan 0.000 0.448 34 I N -1.212 119.187 120.570 -0.284 0.000 2.286 34 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 34 I C 2.649 178.268 176.117 -0.830 0.000 1.104 34 I CA 1.384 62.408 61.300 -0.460 0.000 1.397 34 I CB -0.262 37.489 38.000 -0.416 0.000 1.072 34 I HN 0.283 nan 8.210 nan 0.000 0.417 35 R N 1.211 121.367 120.500 -0.575 0.000 2.082 35 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 35 R C 2.306 178.460 176.300 -0.243 0.000 1.136 35 R CA 2.152 58.042 56.100 -0.350 0.000 0.935 35 R CB -1.172 29.226 30.300 0.163 0.000 0.842 35 R HN 0.072 nan 8.270 nan 0.000 0.430 36 S N -0.408 115.209 115.700 -0.139 0.000 2.520 36 S HA -0.108 4.362 4.470 -0.000 0.000 0.249 36 S C 1.669 176.234 174.600 -0.058 0.000 0.983 36 S CA 1.248 59.409 58.200 -0.065 0.000 0.958 36 S CB -0.462 62.705 63.200 -0.054 0.000 0.750 36 S HN 0.548 nan 8.310 nan 0.000 0.527 37 S N -0.574 115.050 115.700 -0.126 0.000 2.486 37 S HA 0.219 4.689 4.470 -0.000 0.000 0.220 37 S C 1.297 176.059 174.600 0.270 0.000 1.011 37 S CA -0.021 58.180 58.200 0.002 0.000 0.921 37 S CB -0.281 62.903 63.200 -0.027 0.000 0.785 37 S HN 0.705 nan 8.310 nan 0.000 0.517 38 F N 1.161 121.135 119.950 0.040 0.000 2.569 38 F HA 0.204 4.731 4.527 -0.000 0.000 0.295 38 F C 2.470 178.291 175.800 0.035 0.000 1.115 38 F CA -0.609 57.420 58.000 0.048 0.000 1.450 38 F CB 0.022 39.069 39.000 0.078 0.000 1.107 38 F HN 0.038 nan 8.300 nan 0.000 0.563 39 R N 1.517 122.139 120.500 0.203 0.000 2.113 39 R HA -0.205 4.135 4.340 -0.000 0.000 0.244 39 R C 1.497 177.854 176.300 0.095 0.000 1.142 39 R CA 1.541 57.709 56.100 0.113 0.000 0.953 39 R CB -1.121 29.215 30.300 0.060 0.000 0.860 39 R HN 0.455 nan 8.270 nan 0.000 0.438 40 E N 0.645 120.901 120.200 0.095 0.000 2.358 40 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 40 E C -0.271 176.371 176.600 0.071 0.000 1.010 40 E CA -0.161 56.279 56.400 0.068 0.000 0.856 40 E CB 0.011 29.741 29.700 0.049 0.000 0.795 40 E HN 0.328 nan 8.360 nan 0.000 0.504 41 E N 1.600 121.859 120.200 0.098 0.000 2.252 41 E HA -0.178 4.172 4.350 -0.000 0.000 0.218 41 E C -1.329 175.300 176.600 0.048 0.000 1.253 41 E CA 0.448 56.882 56.400 0.058 0.000 0.705 41 E CB -1.326 28.395 29.700 0.034 0.000 1.172 41 E HN 0.358 nan 8.360 nan 0.000 0.369 42 D N 0.272 120.715 120.400 0.071 0.000 2.339 42 D HA 0.118 4.758 4.640 -0.000 0.000 0.241 42 D C 0.971 177.322 176.300 0.085 0.000 1.183 42 D CA -0.317 53.727 54.000 0.075 0.000 0.859 42 D CB 0.553 41.399 40.800 0.077 0.000 1.067 42 D HN 0.203 nan 8.370 nan 0.000 0.484 43 N N 0.933 119.670 118.700 0.063 0.000 2.182 43 N HA -0.154 4.586 4.740 -0.000 0.000 0.192 43 N C 0.289 175.843 175.510 0.074 0.000 1.007 43 N CA 0.793 53.872 53.050 0.049 0.000 0.873 43 N CB 0.006 38.515 38.487 0.037 0.000 0.998 43 N HN 0.328 nan 8.380 nan 0.000 0.436 44 T N -0.462 114.174 114.554 0.137 0.000 2.882 44 T HA 0.178 4.528 4.350 -0.000 0.000 0.287 44 T C -0.118 174.806 174.700 0.372 0.000 0.992 44 T CA -0.292 61.906 62.100 0.164 0.000 1.076 44 T CB 0.979 69.957 68.868 0.183 0.000 0.961 44 T HN 0.277 nan 8.240 nan 0.000 0.490 45 Y N -0.693 119.622 120.300 0.024 0.000 4.174 45 Y HA -0.299 4.251 4.550 -0.000 0.000 0.342 45 Y C 1.979 177.905 175.900 0.044 0.000 1.191 45 Y CA 0.953 59.077 58.100 0.040 0.000 1.799 45 Y CB -1.516 36.980 38.460 0.060 0.000 0.869 45 Y HN 0.565 nan 8.280 nan 0.000 0.417 46 R N 0.853 121.449 120.500 0.160 0.000 2.143 46 R HA -0.289 4.051 4.340 -0.000 0.000 0.239 46 R C 2.512 178.821 176.300 0.015 0.000 1.126 46 R CA 2.815 58.937 56.100 0.036 0.000 0.927 46 R CB -0.934 29.353 30.300 -0.023 0.000 0.860 46 R HN 0.723 nan 8.270 nan 0.000 0.433 47 C N 0.726 120.029 119.300 0.005 0.000 2.349 47 C HA -0.186 4.274 4.460 -0.000 0.000 0.274 47 C C 2.516 177.523 174.990 0.028 0.000 1.178 47 C CA 1.597 60.613 59.018 -0.003 0.000 1.769 47 C CB -1.198 26.530 27.740 -0.021 0.000 2.047 47 C HN 0.588 nan 8.230 nan 0.000 0.448 48 R N 0.945 121.470 120.500 0.042 0.000 2.223 48 R HA -0.196 4.144 4.340 -0.000 0.000 0.229 48 R C 2.233 178.591 176.300 0.097 0.000 1.105 48 R CA 2.584 58.722 56.100 0.063 0.000 0.880 48 R CB -0.822 29.529 30.300 0.085 0.000 0.853 48 R HN 0.702 nan 8.270 nan 0.000 0.429 49 N N 0.278 119.075 118.700 0.161 0.000 2.064 49 N HA -0.217 4.523 4.740 -0.000 0.000 0.200 49 N C 1.992 177.608 175.510 0.177 0.000 1.028 49 N CA 1.993 55.168 53.050 0.209 0.000 0.880 49 N CB -0.875 37.864 38.487 0.420 0.000 1.062 49 N HN 0.072 nan 8.380 nan 0.000 0.454 50 V N 1.954 121.949 119.914 0.135 0.000 2.277 50 V HA -0.350 3.770 4.120 -0.000 0.000 0.255 50 V C 2.525 178.673 176.094 0.090 0.000 1.074 50 V CA 2.232 64.583 62.300 0.086 0.000 1.058 50 V CB -1.223 30.610 31.823 0.017 0.000 0.656 50 V HN 0.439 nan 8.190 nan 0.000 0.449 51 A N -0.304 122.563 122.820 0.078 0.000 1.824 51 A HA -0.264 4.056 4.320 -0.000 0.000 0.215 51 A C 2.194 179.842 177.584 0.107 0.000 1.209 51 A CA 2.271 54.357 52.037 0.082 0.000 0.614 51 A CB -0.691 18.347 19.000 0.063 0.000 0.852 51 A HN 0.536 nan 8.150 nan 0.000 0.447 52 K N -1.027 119.422 120.400 0.082 0.000 2.081 52 K HA -0.307 4.013 4.320 -0.000 0.000 0.222 52 K C 1.869 178.530 176.600 0.102 0.000 1.055 52 K CA 1.964 58.282 56.287 0.052 0.000 0.954 52 K CB -0.859 31.654 32.500 0.022 0.000 0.732 52 K HN 0.388 nan 8.250 nan 0.000 0.458 53 L N 1.520 122.809 121.223 0.110 0.000 1.941 53 L HA -0.235 4.105 4.340 -0.000 0.000 0.224 53 L C 2.148 179.120 176.870 0.170 0.000 1.081 53 L CA 1.638 56.552 54.840 0.123 0.000 0.784 53 L CB -0.834 41.305 42.059 0.134 0.000 0.894 53 L HN 0.258 nan 8.230 nan 0.000 0.436 54 L N -1.685 119.631 121.223 0.154 0.000 2.064 54 L HA -0.404 3.936 4.340 -0.000 0.000 0.234 54 L C 2.461 179.457 176.870 0.211 0.000 1.103 54 L CA 2.344 57.285 54.840 0.169 0.000 0.824 54 L CB -1.191 40.944 42.059 0.127 0.000 0.919 54 L HN 0.502 nan 8.230 nan 0.000 0.447 55 Y N -0.055 120.283 120.300 0.063 0.000 2.014 55 Y HA -0.378 4.172 4.550 -0.000 0.000 0.270 55 Y C 2.737 178.648 175.900 0.018 0.000 1.145 55 Y CA 2.033 60.150 58.100 0.028 0.000 1.106 55 Y CB -0.463 37.994 38.460 -0.005 0.000 0.968 55 Y HN 0.035 nan 8.280 nan 0.000 0.484 56 M N -0.364 119.506 119.600 0.451 0.000 2.513 56 M HA -0.427 4.053 4.480 -0.000 0.000 0.256 56 M C 2.205 178.605 176.300 0.168 0.000 1.061 56 M CA 2.562 58.001 55.300 0.231 0.000 1.065 56 M CB -1.843 30.828 32.600 0.118 0.000 1.279 56 M HN 0.612 nan 8.290 nan 0.000 0.453 57 H N 0.336 119.472 119.070 0.110 0.000 2.371 57 H HA -0.197 4.359 4.556 -0.000 0.000 0.292 57 H C 1.889 177.250 175.328 0.054 0.000 1.066 57 H CA 2.808 58.919 56.048 0.105 0.000 1.153 57 H CB -0.563 29.245 29.762 0.078 0.000 1.375 57 H HN 0.239 nan 8.280 nan 0.000 0.558 58 M N -0.808 118.649 119.600 -0.237 0.000 2.217 58 M HA -0.224 4.256 4.480 -0.000 0.000 0.245 58 M C 1.521 177.628 176.300 -0.322 0.000 1.101 58 M CA 1.280 56.369 55.300 -0.351 0.000 1.050 58 M CB -0.717 31.712 32.600 -0.284 0.000 1.357 58 M HN 0.379 nan 8.290 nan 0.000 0.394 59 L N 0.100 121.183 121.223 -0.234 0.000 2.688 59 L HA 0.277 4.617 4.340 -0.000 0.000 0.234 59 L C 0.782 177.738 176.870 0.142 0.000 1.192 59 L CA 0.519 55.301 54.840 -0.096 0.000 0.984 59 L CB -0.819 41.171 42.059 -0.115 0.000 1.232 59 L HN 0.497 nan 8.230 nan 0.000 0.465 60 G N -0.312 108.498 108.800 0.017 0.000 2.370 60 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.295 60 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.295 60 G C -0.388 174.632 174.900 0.201 0.000 1.045 60 G CA 0.344 45.481 45.100 0.061 0.000 1.199 60 G HN 0.281 nan 8.290 nan 0.000 0.513 61 Y N -0.588 119.735 120.300 0.038 0.000 2.790 61 Y HA 0.612 5.162 4.550 -0.000 0.000 0.323 61 Y C -1.976 174.001 175.900 0.129 0.000 1.230 61 Y CA -2.452 55.693 58.100 0.075 0.000 1.121 61 Y CB 0.987 39.480 38.460 0.055 0.000 1.328 61 Y HN 0.090 nan 8.280 nan 0.000 0.514 62 P HA 0.128 nan 4.420 nan 0.000 0.258 62 P C -0.588 176.816 177.300 0.174 0.000 1.214 62 P CA 0.641 63.861 63.100 0.200 0.000 0.872 62 P CB 0.437 32.230 31.700 0.156 0.000 0.890 63 A N 4.296 127.253 122.820 0.229 0.000 1.887 63 A HA -0.086 4.234 4.320 -0.000 0.000 0.210 63 A C 2.029 179.682 177.584 0.115 0.000 1.221 63 A CA 0.664 52.800 52.037 0.165 0.000 0.635 63 A CB -1.296 17.787 19.000 0.137 0.000 0.881 63 A HN 0.684 nan 8.150 nan 0.000 0.456 64 H N -1.379 117.777 119.070 0.144 0.000 2.346 64 H HA -0.332 4.224 4.556 -0.000 0.000 0.285 64 H C 1.819 177.247 175.328 0.166 0.000 1.123 64 H CA 2.040 58.156 56.048 0.113 0.000 1.182 64 H CB -1.409 28.399 29.762 0.077 0.000 1.351 64 H HN 0.360 nan 8.280 nan 0.000 0.475 65 F N 1.807 121.467 119.950 -0.483 0.000 2.115 65 F HA -0.320 4.207 4.527 -0.000 0.000 0.279 65 F C 2.582 178.393 175.800 0.019 0.000 1.092 65 F CA 3.042 60.892 58.000 -0.250 0.000 1.346 65 F CB -0.680 38.199 39.000 -0.201 0.000 0.919 65 F HN 0.478 nan 8.300 nan 0.000 0.505 66 G N -1.959 107.019 108.800 0.296 0.000 3.690 66 G HA2 0.129 4.089 3.960 -0.000 0.000 0.283 66 G HA3 0.129 4.089 3.960 -0.000 0.000 0.283 66 G C 0.854 175.804 174.900 0.084 0.000 1.057 66 G CA 0.391 45.619 45.100 0.213 0.000 0.821 66 G HN 0.448 nan 8.290 nan 0.000 0.526 67 Q N 0.540 120.385 119.800 0.076 0.000 2.028 67 Q HA -0.280 4.060 4.340 -0.000 0.000 0.213 67 Q C 2.466 178.467 176.000 0.003 0.000 1.017 67 Q CA 2.458 58.281 55.803 0.033 0.000 0.875 67 Q CB -0.396 28.369 28.738 0.044 0.000 0.962 67 Q HN 0.582 nan 8.270 nan 0.000 0.413 68 L N -0.667 120.560 121.223 0.006 0.000 1.981 68 L HA -0.301 4.039 4.340 -0.000 0.000 0.237 68 L C 2.400 179.245 176.870 -0.042 0.000 1.095 68 L CA 2.409 57.240 54.840 -0.015 0.000 0.820 68 L CB -1.508 40.548 42.059 -0.006 0.000 0.914 68 L HN 0.405 nan 8.230 nan 0.000 0.442 69 E N -0.474 119.688 120.200 -0.064 0.000 2.271 69 E HA -0.361 3.989 4.350 -0.000 0.000 0.209 69 E C 2.182 178.708 176.600 -0.123 0.000 1.046 69 E CA 2.089 58.410 56.400 -0.131 0.000 0.840 69 E CB -0.279 29.266 29.700 -0.258 0.000 0.738 69 E HN 0.665 nan 8.360 nan 0.000 0.470 70 C N 0.115 119.363 119.300 -0.087 0.000 2.393 70 C HA -0.185 4.274 4.460 -0.000 0.000 0.276 70 C C 2.625 177.582 174.990 -0.055 0.000 1.215 70 C CA 1.368 60.348 59.018 -0.064 0.000 1.743 70 C CB -1.318 26.398 27.740 -0.039 0.000 2.044 70 C HN 0.704 nan 8.230 nan 0.000 0.464 71 L N 0.954 122.143 121.223 -0.056 0.000 2.043 71 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 71 L C 2.634 179.483 176.870 -0.035 0.000 1.075 71 L CA 2.102 56.910 54.840 -0.053 0.000 0.752 71 L CB -0.661 41.364 42.059 -0.057 0.000 0.891 71 L HN 0.367 nan 8.230 nan 0.000 0.432 72 K N -0.494 119.878 120.400 -0.046 0.000 2.442 72 K HA -0.169 4.151 4.320 -0.000 0.000 0.200 72 K C 1.809 178.389 176.600 -0.035 0.000 1.045 72 K CA 0.937 57.200 56.287 -0.041 0.000 0.937 72 K CB -0.077 32.387 32.500 -0.060 0.000 0.757 72 K HN 0.437 nan 8.250 nan 0.000 0.474 73 L N -0.322 120.880 121.223 -0.034 0.000 2.071 73 L HA -0.118 4.222 4.340 -0.000 0.000 0.201 73 L C 1.851 178.724 176.870 0.006 0.000 1.076 73 L CA 0.544 55.370 54.840 -0.025 0.000 0.755 73 L CB -0.357 41.686 42.059 -0.027 0.000 0.915 73 L HN 0.067 nan 8.230 nan 0.000 0.445 74 I N 0.971 121.572 120.570 0.053 0.000 2.182 74 I HA -0.380 3.790 4.170 -0.000 0.000 0.248 74 I C 2.720 178.884 176.117 0.078 0.000 1.073 74 I CA 1.766 63.157 61.300 0.153 0.000 1.335 74 I CB -1.021 37.084 38.000 0.175 0.000 1.031 74 I HN 0.240 nan 8.210 nan 0.000 0.420 75 A N -0.469 122.372 122.820 0.036 0.000 1.842 75 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 75 A C 1.674 179.267 177.584 0.015 0.000 1.206 75 A CA 1.503 53.554 52.037 0.023 0.000 0.630 75 A CB -1.208 17.796 19.000 0.008 0.000 0.839 75 A HN 0.427 nan 8.150 nan 0.000 0.447 76 S N -1.555 114.147 115.700 0.003 0.000 2.572 76 S HA -0.159 4.311 4.470 -0.000 0.000 0.305 76 S C 1.272 175.875 174.600 0.004 0.000 1.264 76 S CA 0.723 58.923 58.200 0.001 0.000 1.029 76 S CB 0.258 63.451 63.200 -0.011 0.000 0.734 76 S HN 0.542 nan 8.310 nan 0.000 0.478 77 Q N 2.339 122.150 119.800 0.019 0.000 2.008 77 Q HA 0.124 4.464 4.340 -0.000 0.000 0.196 77 Q C 0.095 176.116 176.000 0.036 0.000 0.973 77 Q CA 1.445 57.272 55.803 0.041 0.000 0.826 77 Q CB -0.390 28.380 28.738 0.053 0.000 0.894 77 Q HN 0.735 nan 8.270 nan 0.000 0.439 78 K N 1.263 121.683 120.400 0.033 0.000 2.440 78 K HA -0.135 4.185 4.320 -0.000 0.000 0.275 78 K C 1.004 177.634 176.600 0.050 0.000 1.082 78 K CA -0.195 56.122 56.287 0.050 0.000 1.135 78 K CB -0.025 32.495 32.500 0.033 0.000 0.864 78 K HN 0.067 nan 8.250 nan 0.000 0.479 79 F N 3.991 123.896 119.950 -0.074 0.000 2.054 79 F HA -0.438 4.089 4.527 -0.000 0.000 0.294 79 F C 1.994 177.734 175.800 -0.099 0.000 1.126 79 F CA 2.644 60.578 58.000 -0.109 0.000 1.226 79 F CB -0.774 38.166 39.000 -0.100 0.000 0.947 79 F HN 0.699 nan 8.300 nan 0.000 0.509 80 T N 0.869 115.449 114.554 0.043 0.000 2.397 80 T HA -0.383 3.967 4.350 -0.000 0.000 0.236 80 T C 1.519 176.088 174.700 -0.217 0.000 1.393 80 T CA 2.082 64.125 62.100 -0.095 0.000 1.148 80 T CB -1.037 67.847 68.868 0.027 0.000 0.853 80 T HN 0.443 nan 8.240 nan 0.000 0.419 81 D N 0.913 121.242 120.400 -0.118 0.000 2.200 81 D HA -0.165 4.475 4.640 -0.000 0.000 0.192 81 D C 2.143 178.355 176.300 -0.146 0.000 1.008 81 D CA 1.426 55.365 54.000 -0.101 0.000 0.872 81 D CB -0.257 40.506 40.800 -0.061 0.000 0.923 81 D HN 0.496 nan 8.370 nan 0.000 0.447 82 K N 0.198 120.446 120.400 -0.253 0.000 2.025 82 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 82 K C 2.345 178.698 176.600 -0.412 0.000 1.049 82 K CA 1.032 57.121 56.287 -0.329 0.000 0.933 82 K CB -0.072 32.140 32.500 -0.480 0.000 0.714 82 K HN 0.210 nan 8.250 nan 0.000 0.438 83 R N 1.125 121.264 120.500 -0.602 0.000 2.062 83 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 83 R C 2.122 178.325 176.300 -0.160 0.000 1.136 83 R CA 1.336 57.170 56.100 -0.442 0.000 0.948 83 R CB -0.648 29.319 30.300 -0.556 0.000 0.845 83 R HN -0.021 nan 8.270 nan 0.000 0.430 84 I N 1.954 122.442 120.570 -0.136 0.000 2.113 84 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 84 I C 2.598 178.712 176.117 -0.006 0.000 1.064 84 I CA 1.952 63.224 61.300 -0.046 0.000 1.320 84 I CB -1.875 36.102 38.000 -0.039 0.000 1.028 84 I HN 0.548 nan 8.210 nan 0.000 0.406 85 G N 0.108 108.906 108.800 -0.004 0.000 2.838 85 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.215 85 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.215 85 G C 1.473 176.443 174.900 0.117 0.000 1.327 85 G CA 1.203 46.336 45.100 0.055 0.000 0.802 85 G HN 0.240 nan 8.290 nan 0.000 0.658 86 Y N 0.435 120.677 120.300 -0.098 0.000 2.100 86 Y HA -0.256 4.294 4.550 -0.000 0.000 0.267 86 Y C 2.786 178.650 175.900 -0.060 0.000 1.250 86 Y CA 1.649 59.699 58.100 -0.082 0.000 1.105 86 Y CB -1.368 37.035 38.460 -0.096 0.000 0.924 86 Y HN 0.203 nan 8.280 nan 0.000 0.508 87 L N 0.180 121.473 121.223 0.117 0.000 1.997 87 L HA -0.185 4.155 4.340 -0.000 0.000 0.216 87 L C 2.535 179.420 176.870 0.025 0.000 1.074 87 L CA 2.500 57.373 54.840 0.056 0.000 0.763 87 L CB -1.395 40.689 42.059 0.042 0.000 0.890 87 L HN 0.278 nan 8.230 nan 0.000 0.434 88 G N -1.336 107.476 108.800 0.020 0.000 2.469 88 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.220 88 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.220 88 G C 1.549 176.433 174.900 -0.028 0.000 1.136 88 G CA 1.323 46.423 45.100 0.001 0.000 0.759 88 G HN 0.770 nan 8.290 nan 0.000 0.562 89 A N 1.033 123.824 122.820 -0.049 0.000 1.829 89 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 89 A C 2.431 179.976 177.584 -0.066 0.000 1.207 89 A CA 2.149 54.133 52.037 -0.088 0.000 0.622 89 A CB -0.622 18.272 19.000 -0.177 0.000 0.846 89 A HN 0.343 nan 8.150 nan 0.000 0.447 90 M N -0.707 118.858 119.600 -0.059 0.000 2.252 90 M HA -0.223 4.257 4.480 -0.000 0.000 0.255 90 M C 1.914 178.203 176.300 -0.019 0.000 1.085 90 M CA 1.389 56.668 55.300 -0.035 0.000 1.059 90 M CB -0.571 32.019 32.600 -0.017 0.000 1.375 90 M HN 0.427 nan 8.290 nan 0.000 0.409 91 L N -1.027 120.182 121.223 -0.024 0.000 2.189 91 L HA -0.038 4.302 4.340 -0.000 0.000 0.199 91 L C 1.944 178.757 176.870 -0.095 0.000 1.074 91 L CA 0.726 55.545 54.840 -0.035 0.000 0.783 91 L CB -0.286 41.761 42.059 -0.021 0.000 0.955 91 L HN 0.291 nan 8.230 nan 0.000 0.460 92 L N 0.138 121.301 121.223 -0.099 0.000 2.591 92 L HA 0.125 4.465 4.340 -0.000 0.000 0.228 92 L C 0.472 177.314 176.870 -0.047 0.000 1.133 92 L CA -0.072 54.706 54.840 -0.104 0.000 0.880 92 L CB -0.044 41.968 42.059 -0.078 0.000 1.033 92 L HN 0.163 nan 8.230 nan 0.000 0.450 93 L N 0.410 121.611 121.223 -0.037 0.000 2.326 93 L HA 0.262 4.602 4.340 -0.000 0.000 0.278 93 L C -0.184 176.684 176.870 -0.002 0.000 1.092 93 L CA -0.245 54.584 54.840 -0.018 0.000 0.810 93 L CB 1.080 43.124 42.059 -0.026 0.000 1.153 93 L HN 0.016 nan 8.230 nan 0.000 0.439 94 D N 1.730 122.134 120.400 0.007 0.000 2.229 94 D HA 0.159 4.799 4.640 -0.000 0.000 0.249 94 D C -0.273 176.037 176.300 0.017 0.000 1.027 94 D CA -0.454 53.553 54.000 0.012 0.000 0.923 94 D CB 1.618 42.425 40.800 0.011 0.000 1.174 94 D HN 0.425 nan 8.370 nan 0.000 0.443 95 E N 0.719 120.929 120.200 0.017 0.000 2.346 95 E HA 0.092 4.442 4.350 -0.000 0.000 0.317 95 E C -0.263 176.345 176.600 0.014 0.000 1.404 95 E CA -0.034 56.381 56.400 0.024 0.000 1.534 95 E CB -0.232 29.478 29.700 0.016 0.000 1.309 95 E HN -0.023 nan 8.360 nan 0.000 0.499 96 R N 1.308 121.824 120.500 0.027 0.000 2.248 96 R HA 0.102 4.442 4.340 -0.000 0.000 0.328 96 R C 0.897 177.231 176.300 0.056 0.000 1.067 96 R CA -0.021 56.092 56.100 0.022 0.000 0.924 96 R CB 0.541 30.854 30.300 0.021 0.000 1.013 96 R HN 0.435 nan 8.270 nan 0.000 0.454 97 Q N 1.450 121.252 119.800 0.003 0.000 2.234 97 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 97 Q C 0.769 176.840 176.000 0.119 0.000 0.980 97 Q CA 1.403 57.203 55.803 -0.005 0.000 0.869 97 Q CB 0.215 28.888 28.738 -0.108 0.000 0.912 97 Q HN 0.627 nan 8.270 nan 0.000 0.436 98 D N 0.254 120.693 120.400 0.065 0.000 2.088 98 D HA -0.174 4.466 4.640 -0.000 0.000 0.191 98 D C 2.096 178.432 176.300 0.060 0.000 0.992 98 D CA 1.873 55.905 54.000 0.053 0.000 0.831 98 D CB -0.743 40.074 40.800 0.027 0.000 0.973 98 D HN 0.310 nan 8.370 nan 0.000 0.447 99 V N 0.119 120.063 119.914 0.050 0.000 2.343 99 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 99 V C 2.509 178.616 176.094 0.022 0.000 1.051 99 V CA 2.331 64.644 62.300 0.021 0.000 1.036 99 V CB -1.346 30.482 31.823 0.009 0.000 0.654 99 V HN 0.176 nan 8.190 nan 0.000 0.451 100 H N 0.387 119.441 119.070 -0.027 0.000 2.362 100 H HA -0.210 4.346 4.556 -0.000 0.000 0.294 100 H C 1.977 177.291 175.328 -0.023 0.000 1.113 100 H CA 2.732 58.764 56.048 -0.027 0.000 1.253 100 H CB -0.249 29.504 29.762 -0.015 0.000 1.363 100 H HN 0.472 nan 8.280 nan 0.000 0.494 101 L N -0.441 120.828 121.223 0.076 0.000 2.044 101 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 101 L C 2.619 179.463 176.870 -0.044 0.000 1.075 101 L CA 1.007 55.862 54.840 0.025 0.000 0.747 101 L CB -0.380 41.723 42.059 0.074 0.000 0.903 101 L HN 0.358 nan 8.230 nan 0.000 0.435 102 L N -0.980 120.226 121.223 -0.028 0.000 2.081 102 L HA -0.307 4.033 4.340 -0.000 0.000 0.212 102 L C 2.618 179.444 176.870 -0.074 0.000 1.080 102 L CA 1.263 56.081 54.840 -0.037 0.000 0.754 102 L CB -0.274 41.769 42.059 -0.027 0.000 0.893 102 L HN 0.343 nan 8.230 nan 0.000 0.433 103 M N -0.446 119.082 119.600 -0.121 0.000 2.126 103 M HA -0.224 4.256 4.480 -0.000 0.000 0.259 103 M C 2.241 178.438 176.300 -0.170 0.000 1.073 103 M CA 2.462 57.654 55.300 -0.181 0.000 1.103 103 M CB -0.617 31.833 32.600 -0.250 0.000 1.284 103 M HN 0.087 nan 8.290 nan 0.000 0.420 104 T N 0.825 115.245 114.554 -0.224 0.000 2.602 104 T HA -0.321 4.029 4.350 -0.000 0.000 0.264 104 T C 1.606 176.261 174.700 -0.076 0.000 1.085 104 T CA 2.223 64.225 62.100 -0.163 0.000 1.164 104 T CB -1.034 67.749 68.868 -0.142 0.000 0.860 104 T HN 0.593 nan 8.240 nan 0.000 0.442 105 N N -0.352 118.316 118.700 -0.054 0.000 2.020 105 N HA -0.196 4.544 4.740 -0.000 0.000 0.199 105 N C 2.070 177.576 175.510 -0.006 0.000 1.059 105 N CA 2.081 55.119 53.050 -0.020 0.000 0.877 105 N CB -0.308 38.170 38.487 -0.014 0.000 1.078 105 N HN 0.412 nan 8.380 nan 0.000 0.452 106 C N 0.691 119.987 119.300 -0.007 0.000 2.398 106 C HA -0.140 4.320 4.460 -0.000 0.000 0.279 106 C C 2.616 177.644 174.990 0.064 0.000 1.250 106 C CA 0.075 59.112 59.018 0.031 0.000 1.786 106 C CB -1.350 26.409 27.740 0.032 0.000 2.018 106 C HN 0.488 nan 8.230 nan 0.000 0.494 107 I N 1.343 121.926 120.570 0.021 0.000 2.076 107 I HA -0.195 3.975 4.170 -0.000 0.000 0.237 107 I C 2.485 178.634 176.117 0.053 0.000 1.059 107 I CA 1.786 63.115 61.300 0.048 0.000 1.317 107 I CB -1.557 36.432 38.000 -0.019 0.000 1.037 107 I HN 0.392 nan 8.210 nan 0.000 0.398 108 K N 1.246 121.662 120.400 0.027 0.000 2.000 108 K HA -0.236 4.084 4.320 -0.000 0.000 0.218 108 K C 1.952 178.581 176.600 0.047 0.000 1.053 108 K CA 2.040 58.346 56.287 0.031 0.000 0.946 108 K CB -0.203 32.309 32.500 0.020 0.000 0.723 108 K HN 0.225 nan 8.250 nan 0.000 0.446 109 N N 0.927 119.656 118.700 0.048 0.000 2.133 109 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 109 N C 1.218 176.784 175.510 0.093 0.000 1.012 109 N CA 1.712 54.800 53.050 0.064 0.000 0.871 109 N CB -0.327 38.194 38.487 0.058 0.000 1.011 109 N HN 0.375 nan 8.380 nan 0.000 0.435 110 D N 0.359 120.810 120.400 0.085 0.000 2.216 110 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 110 D C 2.172 178.519 176.300 0.078 0.000 0.960 110 D CA 0.034 54.077 54.000 0.072 0.000 0.861 110 D CB -0.073 40.750 40.800 0.039 0.000 0.985 110 D HN 0.189 nan 8.370 nan 0.000 0.493 111 L N 0.592 121.854 121.223 0.066 0.000 2.189 111 L HA -0.123 4.217 4.340 -0.000 0.000 0.214 111 L C 0.451 177.357 176.870 0.059 0.000 1.097 111 L CA 0.874 55.743 54.840 0.050 0.000 0.764 111 L CB -0.158 41.923 42.059 0.037 0.000 0.900 111 L HN -0.073 nan 8.230 nan 0.000 0.436 112 N N -0.598 118.149 118.700 0.077 0.000 2.936 112 N HA 0.195 4.935 4.740 -0.000 0.000 0.243 112 N C -1.009 174.569 175.510 0.114 0.000 1.149 112 N CA -0.065 53.027 53.050 0.070 0.000 0.914 112 N CB 0.679 39.191 38.487 0.042 0.000 1.179 112 N HN 0.185 nan 8.380 nan 0.000 0.502 113 H N -0.970 118.111 119.070 0.018 0.000 2.797 113 H HA 0.361 4.917 4.556 -0.000 0.000 0.372 113 H C 0.867 176.212 175.328 0.029 0.000 1.168 113 H CA -0.377 55.687 56.048 0.027 0.000 1.163 113 H CB 1.527 31.311 29.762 0.038 0.000 1.778 113 H HN 0.048 nan 8.280 nan 0.000 0.551 114 S N 0.651 116.129 115.700 -0.370 0.000 2.348 114 S HA -0.088 4.382 4.470 -0.000 0.000 0.221 114 S C 0.584 175.223 174.600 0.064 0.000 1.033 114 S CA 1.519 59.628 58.200 -0.153 0.000 1.010 114 S CB -0.135 62.925 63.200 -0.233 0.000 0.891 114 S HN 0.737 nan 8.310 nan 0.000 0.442 115 T N 2.054 116.782 114.554 0.290 0.000 2.750 115 T HA 0.090 4.440 4.350 -0.000 0.000 0.351 115 T C 1.467 176.330 174.700 0.273 0.000 1.082 115 T CA 0.010 62.295 62.100 0.309 0.000 1.022 115 T CB 0.193 69.275 68.868 0.357 0.000 1.249 115 T HN 0.581 nan 8.240 nan 0.000 0.520 116 Q N -1.203 118.767 119.800 0.284 0.000 2.563 116 Q HA 0.129 4.469 4.340 -0.000 0.000 0.236 116 Q C 1.673 177.770 176.000 0.162 0.000 0.792 116 Q CA 0.256 56.164 55.803 0.175 0.000 0.960 116 Q CB -0.421 28.375 28.738 0.098 0.000 1.304 116 Q HN 0.473 nan 8.270 nan 0.000 0.566 117 F N 2.537 122.564 119.950 0.128 0.000 2.307 117 F HA -0.147 4.380 4.527 -0.000 0.000 0.301 117 F C 2.266 178.181 175.800 0.192 0.000 1.076 117 F CA 1.086 59.210 58.000 0.206 0.000 1.383 117 F CB -0.546 38.552 39.000 0.163 0.000 1.055 117 F HN -0.070 nan 8.300 nan 0.000 0.526 118 V N 0.026 120.137 119.914 0.328 0.000 2.214 118 V HA -0.345 3.775 4.120 -0.000 0.000 0.245 118 V C 2.292 178.377 176.094 -0.016 0.000 1.047 118 V CA 2.105 64.460 62.300 0.092 0.000 0.998 118 V CB -1.223 30.518 31.823 -0.136 0.000 0.633 118 V HN 0.295 nan 8.190 nan 0.000 0.446 119 Q N 0.501 120.301 119.800 -0.001 0.000 2.224 119 Q HA -0.262 4.078 4.340 -0.000 0.000 0.213 119 Q C 2.268 178.213 176.000 -0.090 0.000 0.998 119 Q CA 1.946 57.726 55.803 -0.039 0.000 0.895 119 Q CB -0.823 27.889 28.738 -0.043 0.000 0.926 119 Q HN 0.774 nan 8.270 nan 0.000 0.417 120 G N 1.520 110.253 108.800 -0.112 0.000 2.639 120 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 120 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 120 G C 1.358 176.232 174.900 -0.042 0.000 1.267 120 G CA 1.127 46.138 45.100 -0.147 0.000 0.801 120 G HN 0.230 nan 8.290 nan 0.000 0.592 121 L N 0.953 122.163 121.223 -0.020 0.000 2.040 121 L HA -0.321 4.019 4.340 -0.000 0.000 0.228 121 L C 3.401 180.331 176.870 0.099 0.000 1.092 121 L CA 1.886 56.692 54.840 -0.056 0.000 0.805 121 L CB -1.177 40.612 42.059 -0.449 0.000 0.905 121 L HN 0.394 nan 8.230 nan 0.000 0.443 122 A N 0.393 123.255 122.820 0.070 0.000 1.885 122 A HA -0.259 4.061 4.320 -0.000 0.000 0.215 122 A C 2.144 179.794 177.584 0.109 0.000 1.255 122 A CA 2.229 54.410 52.037 0.240 0.000 0.692 122 A CB -1.154 17.915 19.000 0.115 0.000 0.842 122 A HN 0.378 nan 8.150 nan 0.000 0.465 123 L N -1.131 120.105 121.223 0.022 0.000 2.054 123 L HA -0.423 3.917 4.340 -0.000 0.000 0.240 123 L C 2.781 179.641 176.870 -0.016 0.000 1.107 123 L CA 2.191 57.022 54.840 -0.015 0.000 0.833 123 L CB -1.538 40.485 42.059 -0.060 0.000 0.929 123 L HN 0.795 nan 8.230 nan 0.000 0.447 124 C N -0.205 119.089 119.300 -0.009 0.000 2.277 124 C HA -0.355 4.105 4.460 -0.000 0.000 0.270 124 C C 2.926 177.907 174.990 -0.016 0.000 1.131 124 C CA 2.454 61.471 59.018 -0.002 0.000 1.793 124 C CB -1.086 26.674 27.740 0.034 0.000 1.882 124 C HN 0.664 nan 8.230 nan 0.000 0.410 125 T N 0.725 115.301 114.554 0.036 0.000 2.624 125 T HA -0.310 4.040 4.350 -0.000 0.000 0.266 125 T C 1.588 176.226 174.700 -0.103 0.000 1.050 125 T CA 2.190 64.280 62.100 -0.017 0.000 1.163 125 T CB -0.632 68.234 68.868 -0.004 0.000 0.861 125 T HN 0.701 nan 8.240 nan 0.000 0.443 126 L N 0.430 121.597 121.223 -0.093 0.000 2.131 126 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 126 L C 2.406 179.104 176.870 -0.288 0.000 1.092 126 L CA 1.619 56.374 54.840 -0.142 0.000 0.759 126 L CB -0.539 41.475 42.059 -0.075 0.000 0.903 126 L HN 0.359 nan 8.230 nan 0.000 0.435 127 G N -1.904 106.732 108.800 -0.273 0.000 2.744 127 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.211 127 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.211 127 G C 1.113 175.663 174.900 -0.583 0.000 1.143 127 G CA 0.628 45.454 45.100 -0.456 0.000 0.788 127 G HN 0.554 nan 8.290 nan 0.000 0.534 128 C N -0.447 118.647 119.300 -0.344 0.000 3.019 128 C HA 0.440 4.900 4.460 -0.000 0.000 0.295 128 C C 2.313 177.233 174.990 -0.117 0.000 1.256 128 C CA -0.036 58.878 59.018 -0.174 0.000 1.706 128 C CB -0.293 27.401 27.740 -0.077 0.000 2.153 128 C HN 0.419 nan 8.230 nan 0.000 0.618 129 M N 0.512 120.012 119.600 -0.165 0.000 2.879 129 M HA 0.214 4.694 4.480 -0.000 0.000 0.241 129 M C 1.388 177.716 176.300 0.047 0.000 1.523 129 M CA 0.557 55.834 55.300 -0.039 0.000 1.195 129 M CB -0.883 31.681 32.600 -0.060 0.000 1.277 129 M HN 0.284 nan 8.290 nan 0.000 0.557 130 G N 3.567 112.342 108.800 -0.041 0.000 2.866 130 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.339 130 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.339 130 G C 0.139 175.251 174.900 0.354 0.000 0.181 130 G CA 0.760 45.972 45.100 0.187 0.000 1.226 130 G HN 0.543 nan 8.290 nan 0.000 0.395 131 S N 1.789 117.667 115.700 0.297 0.000 2.608 131 S HA 0.672 5.142 4.470 -0.000 0.000 0.291 131 S C 1.578 176.267 174.600 0.150 0.000 1.146 131 S CA 0.354 58.666 58.200 0.186 0.000 1.043 131 S CB 1.863 65.117 63.200 0.091 0.000 1.037 131 S HN 0.855 nan 8.310 nan 0.000 0.520 132 S N 2.745 118.473 115.700 0.048 0.000 2.355 132 S HA -0.328 4.142 4.470 -0.000 0.000 0.318 132 S C 1.573 176.211 174.600 0.064 0.000 1.057 132 S CA 2.266 60.483 58.200 0.028 0.000 1.684 132 S CB -1.553 61.637 63.200 -0.016 0.000 1.408 132 S HN 0.940 nan 8.310 nan 0.000 0.465 133 E N 0.827 121.034 120.200 0.012 0.000 2.217 133 E HA -0.298 4.052 4.350 -0.000 0.000 0.219 133 E C 1.934 178.665 176.600 0.218 0.000 1.070 133 E CA 1.877 58.317 56.400 0.067 0.000 0.889 133 E CB -0.494 29.182 29.700 -0.039 0.000 0.768 133 E HN 0.534 nan 8.360 nan 0.000 0.465 134 M N 0.291 120.140 119.600 0.414 0.000 2.399 134 M HA -0.264 4.216 4.480 -0.000 0.000 0.263 134 M C 2.130 178.518 176.300 0.147 0.000 1.067 134 M CA 2.406 57.873 55.300 0.279 0.000 1.084 134 M CB -0.492 32.245 32.600 0.229 0.000 1.252 134 M HN 0.371 nan 8.290 nan 0.000 0.454 135 C N -0.206 119.183 119.300 0.148 0.000 2.363 135 C HA -0.246 4.214 4.460 -0.000 0.000 0.274 135 C C 2.636 177.691 174.990 0.108 0.000 1.183 135 C CA 1.646 60.739 59.018 0.125 0.000 1.771 135 C CB -1.769 26.047 27.740 0.127 0.000 2.059 135 C HN 0.657 nan 8.230 nan 0.000 0.455 136 R N 0.952 121.510 120.500 0.098 0.000 2.185 136 R HA -0.192 4.148 4.340 -0.000 0.000 0.247 136 R C 1.323 177.669 176.300 0.078 0.000 1.159 136 R CA 2.192 58.340 56.100 0.081 0.000 0.988 136 R CB -0.285 30.054 30.300 0.064 0.000 0.871 136 R HN 0.624 nan 8.270 nan 0.000 0.458 137 D N -0.436 120.014 120.400 0.083 0.000 2.306 137 D HA -0.049 4.591 4.640 -0.000 0.000 0.239 137 D C 1.670 178.006 176.300 0.060 0.000 1.105 137 D CA 0.574 54.613 54.000 0.065 0.000 0.950 137 D CB -0.303 40.533 40.800 0.060 0.000 1.036 137 D HN -0.024 nan 8.370 nan 0.000 0.428 138 L N 1.250 122.507 121.223 0.055 0.000 2.351 138 L HA -0.134 4.206 4.340 -0.000 0.000 0.220 138 L C 2.188 179.105 176.870 0.078 0.000 1.127 138 L CA 0.988 55.860 54.840 0.053 0.000 0.786 138 L CB -1.926 40.157 42.059 0.040 0.000 0.914 138 L HN -0.003 nan 8.230 nan 0.000 0.443 139 A N 1.120 124.003 122.820 0.105 0.000 1.883 139 A HA -0.314 4.006 4.320 -0.000 0.000 0.226 139 A C 2.527 180.194 177.584 0.138 0.000 1.512 139 A CA 2.725 54.860 52.037 0.164 0.000 0.738 139 A CB -1.517 17.583 19.000 0.166 0.000 0.848 139 A HN 0.410 nan 8.150 nan 0.000 0.477 140 G N -1.150 107.690 108.800 0.065 0.000 2.529 140 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.219 140 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.219 140 G C 1.289 176.191 174.900 0.004 0.000 1.177 140 G CA 1.334 46.432 45.100 -0.003 0.000 0.773 140 G HN 0.563 nan 8.290 nan 0.000 0.573 141 E N 0.262 120.477 120.200 0.024 0.000 2.169 141 E HA -0.166 4.184 4.350 -0.000 0.000 0.202 141 E C 2.821 179.440 176.600 0.032 0.000 1.016 141 E CA 1.230 57.644 56.400 0.023 0.000 0.817 141 E CB -0.736 28.981 29.700 0.029 0.000 0.736 141 E HN 0.361 nan 8.360 nan 0.000 0.462 142 V N 1.078 121.032 119.914 0.067 0.000 2.332 142 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 142 V C 2.472 178.611 176.094 0.074 0.000 1.055 142 V CA 2.188 64.548 62.300 0.101 0.000 1.038 142 V CB -0.530 31.414 31.823 0.202 0.000 0.651 142 V HN 0.308 nan 8.190 nan 0.000 0.450 143 E N 0.467 120.667 120.200 0.001 0.000 2.017 143 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 143 E C 2.326 178.898 176.600 -0.046 0.000 0.997 143 E CA 1.433 57.779 56.400 -0.090 0.000 0.804 143 E CB -0.147 29.399 29.700 -0.257 0.000 0.757 143 E HN 0.510 nan 8.360 nan 0.000 0.448 144 K N 0.009 120.384 120.400 -0.041 0.000 2.107 144 K HA -0.213 4.107 4.320 -0.000 0.000 0.211 144 K C 2.204 178.797 176.600 -0.012 0.000 1.049 144 K CA 1.742 58.014 56.287 -0.025 0.000 0.927 144 K CB -0.182 32.309 32.500 -0.015 0.000 0.714 144 K HN 0.275 nan 8.250 nan 0.000 0.452 145 L N 0.393 121.615 121.223 -0.002 0.000 2.162 145 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 145 L C 2.366 179.238 176.870 0.002 0.000 1.086 145 L CA 0.287 55.126 54.840 -0.001 0.000 0.778 145 L CB -0.308 41.750 42.059 -0.000 0.000 0.928 145 L HN 0.214 nan 8.230 nan 0.000 0.446 146 L N 0.070 121.305 121.223 0.018 0.000 2.081 146 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 146 L C 2.780 179.660 176.870 0.017 0.000 1.080 146 L CA 1.463 56.323 54.840 0.034 0.000 0.754 146 L CB -0.186 41.913 42.059 0.067 0.000 0.893 146 L HN 0.245 nan 8.230 nan 0.000 0.433 147 K N -0.310 120.092 120.400 0.002 0.000 1.965 147 K HA -0.077 4.243 4.320 -0.000 0.000 0.214 147 K C 0.846 177.448 176.600 0.002 0.000 1.046 147 K CA 1.091 57.377 56.287 -0.000 0.000 0.944 147 K CB -1.116 31.378 32.500 -0.010 0.000 0.726 147 K HN 0.269 nan 8.250 nan 0.000 0.441 148 T N 2.635 117.189 114.554 -0.001 0.000 2.596 148 T HA -0.082 4.268 4.350 -0.000 0.000 0.252 148 T C 0.351 175.054 174.700 0.004 0.000 1.033 148 T CA 0.389 62.489 62.100 0.001 0.000 1.215 148 T CB -0.073 68.794 68.868 -0.002 0.000 1.011 148 T HN 0.101 nan 8.240 nan 0.000 0.498 149 S N 4.472 120.177 115.700 0.009 0.000 2.700 149 S HA 0.136 4.606 4.470 -0.000 0.000 0.321 149 S C 0.465 175.075 174.600 0.017 0.000 1.161 149 S CA -0.511 57.698 58.200 0.014 0.000 1.078 149 S CB -0.722 62.488 63.200 0.016 0.000 1.302 149 S HN 0.782 nan 8.310 nan 0.000 0.540 150 N N 2.989 121.699 118.700 0.018 0.000 2.750 150 N HA 0.099 4.839 4.740 -0.000 0.000 0.253 150 N C 1.222 176.758 175.510 0.043 0.000 1.408 150 N CA 0.071 53.138 53.050 0.028 0.000 0.780 150 N CB 0.454 38.952 38.487 0.017 0.000 1.191 150 N HN 0.520 nan 8.380 nan 0.000 0.511 151 S N 1.799 117.529 115.700 0.050 0.000 2.472 151 S HA -0.411 4.059 4.470 -0.000 0.000 0.292 151 S C 1.674 176.337 174.600 0.104 0.000 1.175 151 S CA 1.659 59.899 58.200 0.066 0.000 1.249 151 S CB -1.094 62.144 63.200 0.063 0.000 1.208 151 S HN 0.688 nan 8.310 nan 0.000 0.442 152 Y N 3.681 123.948 120.300 -0.055 0.000 1.967 152 Y HA -0.253 4.297 4.550 -0.000 0.000 0.260 152 Y C 2.344 178.199 175.900 -0.075 0.000 1.181 152 Y CA 1.702 59.749 58.100 -0.089 0.000 1.097 152 Y CB -1.147 37.212 38.460 -0.167 0.000 0.934 152 Y HN 0.338 nan 8.280 nan 0.000 0.492 153 L N -0.211 120.919 121.223 -0.155 0.000 1.956 153 L HA -0.315 4.025 4.340 -0.000 0.000 0.216 153 L C 2.653 179.457 176.870 -0.110 0.000 1.073 153 L CA 2.203 56.886 54.840 -0.262 0.000 0.762 153 L CB -1.078 40.868 42.059 -0.188 0.000 0.889 153 L HN 0.214 nan 8.230 nan 0.000 0.433 154 R N 1.009 121.487 120.500 -0.037 0.000 2.196 154 R HA -0.298 4.042 4.340 -0.000 0.000 0.244 154 R C 2.464 178.768 176.300 0.008 0.000 1.121 154 R CA 2.961 59.060 56.100 -0.002 0.000 0.930 154 R CB -0.357 29.955 30.300 0.019 0.000 0.890 154 R HN 0.475 nan 8.270 nan 0.000 0.435 155 K N 0.182 120.596 120.400 0.024 0.000 2.032 155 K HA -0.247 4.073 4.320 -0.000 0.000 0.218 155 K C 1.875 178.483 176.600 0.012 0.000 1.054 155 K CA 1.782 58.090 56.287 0.034 0.000 0.941 155 K CB -0.442 32.090 32.500 0.054 0.000 0.720 155 K HN 0.114 nan 8.250 nan 0.000 0.449 156 K N 1.039 121.425 120.400 -0.022 0.000 2.015 156 K HA -0.193 4.127 4.320 -0.000 0.000 0.216 156 K C 2.513 179.099 176.600 -0.024 0.000 1.052 156 K CA 1.792 58.051 56.287 -0.047 0.000 0.937 156 K CB -0.998 31.416 32.500 -0.144 0.000 0.719 156 K HN 0.425 nan 8.250 nan 0.000 0.446 157 A N 1.639 124.444 122.820 -0.024 0.000 1.863 157 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 157 A C 2.426 180.038 177.584 0.046 0.000 1.233 157 A CA 3.426 55.474 52.037 0.017 0.000 0.655 157 A CB -1.279 17.738 19.000 0.028 0.000 0.839 157 A HN 0.417 nan 8.150 nan 0.000 0.454 158 A N -0.468 122.382 122.820 0.051 0.000 1.883 158 A HA -0.315 4.005 4.320 -0.000 0.000 0.226 158 A C 2.174 179.778 177.584 0.033 0.000 1.512 158 A CA 2.390 54.460 52.037 0.056 0.000 0.738 158 A CB -1.312 17.717 19.000 0.049 0.000 0.848 158 A HN 0.688 nan 8.150 nan 0.000 0.477 159 L N -1.318 119.924 121.223 0.030 0.000 2.034 159 L HA -0.361 3.979 4.340 -0.000 0.000 0.217 159 L C 2.862 179.752 176.870 0.033 0.000 1.077 159 L CA 1.908 56.766 54.840 0.029 0.000 0.769 159 L CB -1.130 40.946 42.059 0.027 0.000 0.890 159 L HN 0.679 nan 8.230 nan 0.000 0.435 160 C N -0.368 118.949 119.300 0.028 0.000 2.382 160 C HA -0.327 4.133 4.460 -0.000 0.000 0.281 160 C C 3.129 178.146 174.990 0.045 0.000 1.191 160 C CA 1.163 60.203 59.018 0.037 0.000 1.772 160 C CB -1.150 26.609 27.740 0.032 0.000 2.013 160 C HN 0.698 nan 8.230 nan 0.000 0.437 161 A N -0.239 122.589 122.820 0.014 0.000 1.944 161 A HA -0.249 4.071 4.320 -0.000 0.000 0.222 161 A C 2.134 179.579 177.584 -0.232 0.000 1.237 161 A CA 2.963 54.903 52.037 -0.162 0.000 0.668 161 A CB -1.195 17.648 19.000 -0.262 0.000 0.830 161 A HN 0.465 nan 8.150 nan 0.000 0.471 162 V N 0.068 119.903 119.914 -0.131 0.000 2.239 162 V HA -0.408 3.712 4.120 -0.000 0.000 0.246 162 V C 2.471 178.532 176.094 -0.056 0.000 1.037 162 V CA 2.548 64.791 62.300 -0.095 0.000 1.012 162 V CB -1.214 30.599 31.823 -0.017 0.000 0.650 162 V HN 0.861 nan 8.190 nan 0.000 0.467 163 H N 0.139 119.171 119.070 -0.063 0.000 2.337 163 H HA -0.243 4.313 4.556 -0.000 0.000 0.288 163 H C 2.144 177.444 175.328 -0.047 0.000 1.117 163 H CA 2.914 58.938 56.048 -0.039 0.000 1.205 163 H CB -0.379 29.372 29.762 -0.019 0.000 1.353 163 H HN 0.256 nan 8.280 nan 0.000 0.480 164 V N 1.759 121.709 119.914 0.059 0.000 2.219 164 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 164 V C 3.093 179.123 176.094 -0.107 0.000 1.053 164 V CA 2.243 64.547 62.300 0.007 0.000 1.009 164 V CB -0.878 30.951 31.823 0.009 0.000 0.636 164 V HN 0.381 nan 8.190 nan 0.000 0.445 165 I N -0.316 120.159 120.570 -0.158 0.000 2.091 165 I HA -0.400 3.770 4.170 -0.000 0.000 0.240 165 I C 2.830 178.872 176.117 -0.124 0.000 1.046 165 I CA 2.283 63.496 61.300 -0.145 0.000 1.306 165 I CB -0.602 37.297 38.000 -0.168 0.000 1.018 165 I HN 0.268 nan 8.210 nan 0.000 0.404 166 R N 0.542 120.948 120.500 -0.155 0.000 2.133 166 R HA -0.191 4.149 4.340 -0.000 0.000 0.247 166 R C 2.060 178.260 176.300 -0.167 0.000 1.151 166 R CA 1.306 57.310 56.100 -0.161 0.000 0.971 166 R CB -0.213 29.965 30.300 -0.203 0.000 0.866 166 R HN 0.336 nan 8.270 nan 0.000 0.447 167 K N -0.212 120.060 120.400 -0.212 0.000 2.379 167 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 167 K C 0.050 176.608 176.600 -0.070 0.000 1.031 167 K CA 0.469 56.669 56.287 -0.146 0.000 1.037 167 K CB 1.281 33.685 32.500 -0.161 0.000 0.824 167 K HN -0.008 nan 8.250 nan 0.000 0.516 168 V N 1.991 121.869 119.914 -0.060 0.000 2.703 168 V HA 0.107 4.227 4.120 -0.000 0.000 0.290 168 V C -2.173 173.909 176.094 -0.021 0.000 1.035 168 V CA -0.926 61.360 62.300 -0.023 0.000 1.185 168 V CB 1.488 33.315 31.823 0.006 0.000 1.178 168 V HN -0.113 nan 8.190 nan 0.000 0.562 169 P HA -0.273 nan 4.420 nan 0.000 0.222 169 P C 1.498 178.797 177.300 -0.001 0.000 1.155 169 P CA 1.893 64.980 63.100 -0.022 0.000 0.890 169 P CB 0.309 31.998 31.700 -0.018 0.000 0.790 170 E N -0.988 119.218 120.200 0.009 0.000 2.233 170 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 170 E C 1.516 178.146 176.600 0.051 0.000 1.004 170 E CA 0.890 57.306 56.400 0.026 0.000 0.819 170 E CB -0.539 29.176 29.700 0.025 0.000 0.738 170 E HN 0.353 nan 8.360 nan 0.000 0.478 171 L N 0.905 122.167 121.223 0.065 0.000 2.592 171 L HA 0.090 4.430 4.340 -0.000 0.000 0.227 171 L C 2.024 179.035 176.870 0.235 0.000 1.127 171 L CA -0.305 54.617 54.840 0.138 0.000 0.884 171 L CB -0.365 41.798 42.059 0.173 0.000 1.065 171 L HN 0.269 nan 8.230 nan 0.000 0.457 172 M N -0.394 119.285 119.600 0.131 0.000 2.426 172 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 172 M C 1.388 177.902 176.300 0.357 0.000 1.068 172 M CA 1.321 56.726 55.300 0.176 0.000 1.066 172 M CB -1.229 31.392 32.600 0.035 0.000 1.399 172 M HN 0.256 nan 8.290 nan 0.000 0.449 173 E N 1.653 121.992 120.200 0.232 0.000 2.026 173 E HA -0.251 4.099 4.350 -0.000 0.000 0.206 173 E C 2.030 178.720 176.600 0.151 0.000 1.028 173 E CA 2.608 59.102 56.400 0.156 0.000 0.845 173 E CB -0.497 29.258 29.700 0.093 0.000 0.772 173 E HN 0.853 nan 8.360 nan 0.000 0.462 174 M N -0.519 119.130 119.600 0.082 0.000 2.699 174 M HA -0.136 4.344 4.480 -0.000 0.000 0.253 174 M C 0.919 176.962 176.300 -0.428 0.000 1.062 174 M CA 1.376 56.568 55.300 -0.181 0.000 1.050 174 M CB -0.431 31.987 32.600 -0.304 0.000 1.380 174 M HN -0.016 nan 8.290 nan 0.000 0.520 175 F N -0.393 119.577 119.950 0.034 0.000 2.717 175 F HA 0.194 4.721 4.527 -0.000 0.000 0.295 175 F C 1.792 177.623 175.800 0.052 0.000 1.117 175 F CA -0.241 57.783 58.000 0.039 0.000 1.361 175 F CB -0.396 38.629 39.000 0.041 0.000 1.112 175 F HN 0.073 nan 8.300 nan 0.000 0.594 176 L N 2.084 123.415 121.223 0.181 0.000 2.010 176 L HA -0.179 4.161 4.340 -0.000 0.000 0.219 176 L C -0.736 176.191 176.870 0.096 0.000 1.077 176 L CA 2.466 57.393 54.840 0.145 0.000 0.773 176 L CB -1.838 40.277 42.059 0.093 0.000 0.892 176 L HN -0.068 nan 8.230 nan 0.000 0.436 177 P HA -0.292 nan 4.420 nan 0.000 0.219 177 P C 1.545 178.858 177.300 0.021 0.000 1.161 177 P CA 2.597 65.700 63.100 0.005 0.000 0.909 177 P CB -0.284 31.385 31.700 -0.052 0.000 0.793 178 A N -1.766 121.074 122.820 0.034 0.000 1.969 178 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 178 A C 2.051 179.665 177.584 0.051 0.000 1.169 178 A CA 2.110 54.175 52.037 0.046 0.000 0.635 178 A CB -1.794 17.254 19.000 0.080 0.000 0.810 178 A HN 0.156 nan 8.150 nan 0.000 0.445 179 T N 0.386 114.985 114.554 0.075 0.000 2.276 179 T HA -0.297 4.053 4.350 -0.000 0.000 0.218 179 T C 1.781 176.499 174.700 0.030 0.000 1.547 179 T CA 1.927 64.060 62.100 0.056 0.000 1.225 179 T CB -0.442 68.516 68.868 0.150 0.000 0.864 179 T HN 0.562 nan 8.240 nan 0.000 0.391 180 K N 0.777 121.212 120.400 0.058 0.000 2.127 180 K HA -0.299 4.021 4.320 -0.000 0.000 0.222 180 K C 2.135 178.748 176.600 0.022 0.000 1.034 180 K CA 2.253 58.568 56.287 0.046 0.000 0.955 180 K CB -0.507 32.022 32.500 0.050 0.000 0.786 180 K HN 0.409 nan 8.250 nan 0.000 0.465 181 N N 0.725 119.436 118.700 0.018 0.000 2.062 181 N HA -0.107 4.633 4.740 -0.000 0.000 0.191 181 N C 2.033 177.545 175.510 0.003 0.000 1.042 181 N CA 1.212 54.269 53.050 0.011 0.000 0.845 181 N CB -0.558 37.937 38.487 0.013 0.000 1.024 181 N HN 0.149 nan 8.380 nan 0.000 0.424 182 L N 1.118 122.341 121.223 0.001 0.000 2.255 182 L HA -0.254 4.086 4.340 -0.000 0.000 0.236 182 L C 1.230 178.090 176.870 -0.016 0.000 1.129 182 L CA 1.411 56.247 54.840 -0.007 0.000 0.853 182 L CB -1.070 40.979 42.059 -0.017 0.000 0.942 182 L HN 0.206 nan 8.230 nan 0.000 0.451 183 L N 0.908 122.114 121.223 -0.028 0.000 2.544 183 L HA -0.022 4.318 4.340 -0.000 0.000 0.240 183 L C 0.713 177.571 176.870 -0.020 0.000 1.421 183 L CA 0.221 55.042 54.840 -0.032 0.000 1.206 183 L CB -0.564 41.470 42.059 -0.042 0.000 1.463 183 L HN 0.353 nan 8.230 nan 0.000 0.437 184 N N -1.065 117.627 118.700 -0.013 0.000 1.862 184 N HA -0.046 4.694 4.740 -0.000 0.000 0.235 184 N C 0.406 175.916 175.510 0.000 0.000 1.398 184 N CA -0.137 52.910 53.050 -0.005 0.000 0.779 184 N CB 0.548 39.036 38.487 0.001 0.000 1.086 184 N HN 0.280 nan 8.380 nan 0.000 0.490 185 E N 1.100 121.301 120.200 0.001 0.000 2.492 185 E HA -0.043 4.307 4.350 -0.000 0.000 0.266 185 E C 0.828 177.438 176.600 0.017 0.000 1.187 185 E CA 0.848 57.255 56.400 0.013 0.000 1.036 185 E CB 0.617 30.326 29.700 0.016 0.000 0.994 185 E HN 0.168 nan 8.360 nan 0.000 0.468 186 K N 1.021 121.444 120.400 0.038 0.000 2.367 186 K HA 0.095 4.415 4.320 -0.000 0.000 0.198 186 K C 0.126 176.795 176.600 0.115 0.000 1.132 186 K CA 0.034 56.358 56.287 0.061 0.000 0.941 186 K CB 0.152 32.688 32.500 0.059 0.000 1.052 186 K HN 0.620 nan 8.250 nan 0.000 0.507 187 N N 0.986 119.750 118.700 0.108 0.000 2.420 187 N HA -0.029 4.711 4.740 -0.000 0.000 0.262 187 N C 0.592 176.208 175.510 0.178 0.000 1.144 187 N CA -0.143 52.999 53.050 0.154 0.000 0.952 187 N CB 0.497 39.049 38.487 0.107 0.000 1.081 187 N HN 0.260 nan 8.380 nan 0.000 0.480 188 H N 3.289 122.353 119.070 -0.010 0.000 2.255 188 H HA -0.235 4.321 4.556 -0.000 0.000 0.290 188 H C 1.940 177.280 175.328 0.020 0.000 1.087 188 H CA 1.538 57.552 56.048 -0.057 0.000 1.213 188 H CB -0.343 29.265 29.762 -0.256 0.000 1.349 188 H HN 0.830 nan 8.280 nan 0.000 0.487 189 G N 0.980 109.886 108.800 0.177 0.000 2.875 189 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.227 189 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.227 189 G C 1.826 176.791 174.900 0.108 0.000 1.259 189 G CA 2.574 47.737 45.100 0.105 0.000 0.780 189 G HN 0.304 nan 8.290 nan 0.000 0.685 190 V N 0.903 120.871 119.914 0.089 0.000 2.225 190 V HA -0.292 3.828 4.120 -0.000 0.000 0.252 190 V C 2.751 178.891 176.094 0.077 0.000 1.055 190 V CA 2.393 64.737 62.300 0.074 0.000 1.032 190 V CB -1.085 30.772 31.823 0.057 0.000 0.655 190 V HN 0.409 nan 8.190 nan 0.000 0.458 191 L N -0.468 120.786 121.223 0.052 0.000 2.077 191 L HA -0.340 4.000 4.340 -0.000 0.000 0.231 191 L C 2.492 179.381 176.870 0.032 0.000 1.100 191 L CA 2.852 57.699 54.840 0.012 0.000 0.819 191 L CB -1.100 40.935 42.059 -0.040 0.000 0.913 191 L HN 0.618 nan 8.230 nan 0.000 0.446 192 H N -0.523 118.534 119.070 -0.021 0.000 2.257 192 H HA -0.204 4.352 4.556 -0.000 0.000 0.292 192 H C 2.190 177.516 175.328 -0.003 0.000 1.075 192 H CA 3.020 59.064 56.048 -0.007 0.000 1.212 192 H CB -0.674 29.096 29.762 0.015 0.000 1.354 192 H HN 0.663 nan 8.280 nan 0.000 0.497 193 T N -0.697 114.037 114.554 0.299 0.000 2.536 193 T HA -0.250 4.100 4.350 -0.000 0.000 0.263 193 T C 2.334 177.087 174.700 0.089 0.000 1.115 193 T CA 2.867 65.078 62.100 0.185 0.000 1.180 193 T CB -1.178 67.749 68.868 0.098 0.000 0.864 193 T HN 0.415 nan 8.240 nan 0.000 0.419 194 S N 1.607 117.339 115.700 0.053 0.000 2.426 194 S HA -0.216 4.254 4.470 -0.000 0.000 0.253 194 S C 2.146 176.730 174.600 -0.027 0.000 1.104 194 S CA 1.712 59.918 58.200 0.009 0.000 1.158 194 S CB -1.381 61.818 63.200 -0.002 0.000 1.043 194 S HN 0.483 nan 8.310 nan 0.000 0.443 195 V N 2.459 122.344 119.914 -0.049 0.000 2.221 195 V HA -0.250 3.870 4.120 -0.000 0.000 0.244 195 V C 2.557 178.608 176.094 -0.071 0.000 1.043 195 V CA 2.067 64.310 62.300 -0.095 0.000 0.996 195 V CB -1.418 30.302 31.823 -0.172 0.000 0.636 195 V HN 0.576 nan 8.190 nan 0.000 0.454 196 V N -0.700 119.181 119.914 -0.054 0.000 2.363 196 V HA -0.301 3.819 4.120 -0.000 0.000 0.254 196 V C 2.362 178.449 176.094 -0.012 0.000 1.074 196 V CA 2.275 64.566 62.300 -0.015 0.000 1.069 196 V CB -1.216 30.635 31.823 0.046 0.000 0.659 196 V HN 0.471 nan 8.190 nan 0.000 0.455 197 L N 0.215 121.434 121.223 -0.007 0.000 1.963 197 L HA -0.201 4.138 4.340 -0.000 0.000 0.220 197 L C 2.547 179.401 176.870 -0.027 0.000 1.076 197 L CA 2.797 57.627 54.840 -0.017 0.000 0.772 197 L CB -1.054 41.002 42.059 -0.005 0.000 0.892 197 L HN 0.395 nan 8.230 nan 0.000 0.435 198 L N -0.563 120.628 121.223 -0.053 0.000 1.971 198 L HA -0.305 4.035 4.340 -0.000 0.000 0.215 198 L C 2.476 179.336 176.870 -0.017 0.000 1.072 198 L CA 2.189 56.981 54.840 -0.079 0.000 0.758 198 L CB -1.164 40.791 42.059 -0.174 0.000 0.889 198 L HN 0.339 nan 8.230 nan 0.000 0.433 199 T N -0.839 113.696 114.554 -0.033 0.000 2.565 199 T HA -0.344 4.006 4.350 -0.000 0.000 0.265 199 T C 1.763 176.460 174.700 -0.004 0.000 1.082 199 T CA 2.117 64.205 62.100 -0.021 0.000 1.173 199 T CB -0.365 68.484 68.868 -0.032 0.000 0.864 199 T HN 0.301 nan 8.240 nan 0.000 0.425 200 E N 0.667 120.862 120.200 -0.009 0.000 2.118 200 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 200 E C 2.194 178.792 176.600 -0.004 0.000 0.992 200 E CA 1.198 57.591 56.400 -0.012 0.000 0.804 200 E CB -0.375 29.310 29.700 -0.025 0.000 0.741 200 E HN 0.440 nan 8.360 nan 0.000 0.458 201 M N -0.263 119.345 119.600 0.013 0.000 2.073 201 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 201 M C 1.246 177.581 176.300 0.058 0.000 1.070 201 M CA 0.973 56.300 55.300 0.046 0.000 1.103 201 M CB -0.824 31.849 32.600 0.122 0.000 1.321 201 M HN 0.134 nan 8.290 nan 0.000 0.405 202 C N 2.804 122.150 119.300 0.077 0.000 3.849 202 C HA 0.008 4.468 4.460 -0.000 0.000 0.555 202 C C 0.909 175.913 174.990 0.023 0.000 1.046 202 C CA 0.197 59.250 59.018 0.059 0.000 1.071 202 C CB -2.159 25.620 27.740 0.065 0.000 1.363 202 C HN 0.348 nan 8.230 nan 0.000 0.633 203 E N 1.010 121.220 120.200 0.017 0.000 3.191 203 E HA 0.184 4.534 4.350 -0.000 0.000 0.192 203 E C 0.039 176.644 176.600 0.007 0.000 0.972 203 E CA -0.025 56.379 56.400 0.006 0.000 1.266 203 E CB 0.302 30.001 29.700 -0.002 0.000 1.076 203 E HN 0.615 nan 8.360 nan 0.000 0.462 204 R N 0.243 120.750 120.500 0.012 0.000 2.912 204 R HA 0.209 4.549 4.340 -0.000 0.000 0.278 204 R C 0.718 177.025 176.300 0.012 0.000 1.533 204 R CA -0.092 56.014 56.100 0.011 0.000 1.061 204 R CB 1.024 31.329 30.300 0.010 0.000 1.313 204 R HN -0.074 nan 8.270 nan 0.000 0.443 205 S N 2.324 118.035 115.700 0.018 0.000 2.457 205 S HA -0.238 4.232 4.470 -0.000 0.000 0.269 205 S C -0.944 173.671 174.600 0.025 0.000 1.139 205 S CA 1.895 60.113 58.200 0.029 0.000 1.176 205 S CB -0.881 62.334 63.200 0.025 0.000 1.088 205 S HN 0.474 nan 8.310 nan 0.000 0.443 206 P HA -0.085 nan 4.420 nan 0.000 0.214 206 P C 1.048 178.324 177.300 -0.041 0.000 1.163 206 P CA 1.297 64.390 63.100 -0.013 0.000 0.889 206 P CB -0.169 31.522 31.700 -0.014 0.000 0.790 207 D N -1.267 119.095 120.400 -0.063 0.000 2.172 207 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 207 D C 1.925 178.099 176.300 -0.209 0.000 0.999 207 D CA 1.131 55.026 54.000 -0.175 0.000 0.856 207 D CB -0.583 40.138 40.800 -0.131 0.000 0.934 207 D HN 0.150 nan 8.370 nan 0.000 0.453 208 M N 0.175 119.753 119.600 -0.037 0.000 2.352 208 M HA -0.253 4.227 4.480 -0.000 0.000 0.260 208 M C 2.422 178.833 176.300 0.185 0.000 1.068 208 M CA 1.472 56.829 55.300 0.095 0.000 1.082 208 M CB -0.536 32.175 32.600 0.185 0.000 1.262 208 M HN 0.062 nan 8.290 nan 0.000 0.444 209 L N -0.482 120.822 121.223 0.135 0.000 2.064 209 L HA -0.314 4.026 4.340 -0.000 0.000 0.216 209 L C 2.616 179.500 176.870 0.023 0.000 1.077 209 L CA 1.565 56.419 54.840 0.024 0.000 0.766 209 L CB -0.810 41.200 42.059 -0.081 0.000 0.890 209 L HN 0.467 nan 8.230 nan 0.000 0.435 210 A N -0.432 122.352 122.820 -0.059 0.000 1.834 210 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 210 A C 2.024 179.629 177.584 0.036 0.000 1.203 210 A CA 1.989 53.976 52.037 -0.083 0.000 0.621 210 A CB -0.927 17.934 19.000 -0.232 0.000 0.841 210 A HN 0.492 nan 8.150 nan 0.000 0.446 211 H N -1.744 117.388 119.070 0.102 0.000 2.389 211 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 211 H C 1.895 177.311 175.328 0.146 0.000 1.081 211 H CA 0.845 56.947 56.048 0.091 0.000 1.345 211 H CB -1.020 28.775 29.762 0.055 0.000 1.393 211 H HN 0.586 nan 8.280 nan 0.000 0.520 212 F N 2.290 122.296 119.950 0.094 0.000 2.070 212 F HA -0.394 4.133 4.527 -0.000 0.000 0.298 212 F C 2.724 178.547 175.800 0.038 0.000 1.189 212 F CA 1.872 59.900 58.000 0.046 0.000 1.223 212 F CB 0.017 39.023 39.000 0.010 0.000 0.939 212 F HN 0.020 nan 8.300 nan 0.000 0.531 213 R N 0.311 121.024 120.500 0.356 0.000 2.105 213 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 213 R C 1.821 178.201 176.300 0.134 0.000 1.135 213 R CA 1.570 57.766 56.100 0.159 0.000 0.967 213 R CB -0.392 29.913 30.300 0.009 0.000 0.861 213 R HN 0.400 nan 8.270 nan 0.000 0.442 214 K N 0.845 121.330 120.400 0.141 0.000 2.057 214 K HA -0.033 4.287 4.320 -0.000 0.000 0.197 214 K C 1.900 178.557 176.600 0.096 0.000 1.055 214 K CA 0.650 57.003 56.287 0.111 0.000 1.028 214 K CB -0.416 32.164 32.500 0.133 0.000 1.289 214 K HN -0.038 nan 8.250 nan 0.000 0.462 215 L N 1.839 123.114 121.223 0.087 0.000 2.302 215 L HA -0.283 4.057 4.340 -0.000 0.000 0.218 215 L C 2.281 179.170 176.870 0.032 0.000 1.100 215 L CA 0.601 55.467 54.840 0.042 0.000 0.774 215 L CB -1.117 40.947 42.059 0.009 0.000 0.896 215 L HN 0.237 nan 8.230 nan 0.000 0.439 216 V N 0.090 120.036 119.914 0.054 0.000 2.226 216 V HA -0.284 3.836 4.120 -0.000 0.000 0.254 216 V C 0.317 176.422 176.094 0.018 0.000 1.065 216 V CA 2.792 65.112 62.300 0.032 0.000 1.039 216 V CB -1.813 30.047 31.823 0.062 0.000 0.653 216 V HN 0.393 nan 8.190 nan 0.000 0.450 217 P HA -0.221 nan 4.420 nan 0.000 0.216 217 P C 1.757 179.061 177.300 0.006 0.000 1.157 217 P CA 1.805 64.915 63.100 0.017 0.000 0.880 217 P CB -0.065 31.648 31.700 0.022 0.000 0.791 218 Q N -0.192 119.611 119.800 0.005 0.000 2.002 218 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 218 Q C 2.103 178.093 176.000 -0.017 0.000 0.988 218 Q CA 1.744 57.544 55.803 -0.005 0.000 0.843 218 Q CB -1.364 27.372 28.738 -0.004 0.000 0.908 218 Q HN 0.112 nan 8.270 nan 0.000 0.420 219 L N -0.574 120.635 121.223 -0.023 0.000 2.030 219 L HA -0.334 4.006 4.340 -0.000 0.000 0.222 219 L C 2.281 179.129 176.870 -0.036 0.000 1.082 219 L CA 1.698 56.515 54.840 -0.039 0.000 0.785 219 L CB -1.043 40.990 42.059 -0.043 0.000 0.895 219 L HN 0.184 nan 8.230 nan 0.000 0.439 220 V N -0.256 119.643 119.914 -0.024 0.000 2.217 220 V HA -0.393 3.727 4.120 -0.000 0.000 0.248 220 V C 2.509 178.591 176.094 -0.020 0.000 1.050 220 V CA 2.364 64.652 62.300 -0.020 0.000 1.007 220 V CB -0.886 30.931 31.823 -0.010 0.000 0.639 220 V HN 0.443 nan 8.190 nan 0.000 0.452 221 R N -0.257 120.234 120.500 -0.014 0.000 2.159 221 R HA -0.251 4.089 4.340 -0.000 0.000 0.249 221 R C 2.145 178.433 176.300 -0.020 0.000 1.136 221 R CA 2.409 58.502 56.100 -0.012 0.000 0.951 221 R CB -0.854 29.441 30.300 -0.008 0.000 0.876 221 R HN 0.515 nan 8.270 nan 0.000 0.440 222 I N 0.497 121.048 120.570 -0.033 0.000 2.052 222 I HA -0.341 3.829 4.170 -0.000 0.000 0.235 222 I C 2.499 178.585 176.117 -0.052 0.000 1.046 222 I CA 1.225 62.495 61.300 -0.051 0.000 1.308 222 I CB -0.615 37.342 38.000 -0.072 0.000 1.031 222 I HN 0.139 nan 8.210 nan 0.000 0.395 223 L N 1.341 122.532 121.223 -0.052 0.000 1.976 223 L HA -0.319 4.021 4.340 -0.000 0.000 0.223 223 L C 2.563 179.418 176.870 -0.025 0.000 1.081 223 L CA 2.326 57.140 54.840 -0.044 0.000 0.784 223 L CB -0.948 41.087 42.059 -0.041 0.000 0.896 223 L HN 0.228 nan 8.230 nan 0.000 0.438 224 K N -0.460 119.929 120.400 -0.018 0.000 2.013 224 K HA -0.378 3.942 4.320 -0.000 0.000 0.225 224 K C 2.063 178.663 176.600 -0.000 0.000 1.056 224 K CA 2.454 58.737 56.287 -0.006 0.000 0.971 224 K CB -0.668 31.829 32.500 -0.004 0.000 0.731 224 K HN 0.587 nan 8.250 nan 0.000 0.450 225 N N 0.363 119.062 118.700 -0.002 0.000 2.106 225 N HA -0.259 4.481 4.740 -0.000 0.000 0.200 225 N C 1.715 177.235 175.510 0.017 0.000 1.014 225 N CA 2.665 55.720 53.050 0.008 0.000 0.891 225 N CB -0.483 38.005 38.487 0.001 0.000 1.069 225 N HN 0.338 nan 8.380 nan 0.000 0.490 226 L N -0.003 121.224 121.223 0.007 0.000 1.915 226 L HA -0.220 4.120 4.340 -0.000 0.000 0.225 226 L C 2.402 179.291 176.870 0.033 0.000 1.084 226 L CA 1.739 56.593 54.840 0.024 0.000 0.788 226 L CB -1.011 41.047 42.059 -0.001 0.000 0.892 226 L HN 0.264 nan 8.230 nan 0.000 0.434 227 I N -0.594 119.988 120.570 0.020 0.000 2.345 227 I HA -0.498 3.672 4.170 -0.000 0.000 0.228 227 I C 2.809 178.945 176.117 0.032 0.000 0.960 227 I CA 2.097 63.411 61.300 0.024 0.000 1.262 227 I CB -0.392 37.617 38.000 0.014 0.000 0.969 227 I HN 0.392 nan 8.210 nan 0.000 0.385 228 M N -0.018 119.597 119.600 0.026 0.000 2.103 228 M HA -0.214 4.266 4.480 -0.000 0.000 0.255 228 M C 1.048 177.370 176.300 0.037 0.000 1.074 228 M CA 2.134 57.450 55.300 0.028 0.000 1.090 228 M CB -0.307 32.306 32.600 0.021 0.000 1.325 228 M HN 0.604 nan 8.290 nan 0.000 0.403 229 S N -1.651 114.076 115.700 0.045 0.000 2.661 229 S HA 0.690 5.160 4.470 -0.000 0.000 0.285 229 S C -0.032 174.610 174.600 0.069 0.000 1.138 229 S CA -0.356 57.877 58.200 0.054 0.000 0.855 229 S CB 1.719 64.946 63.200 0.045 0.000 1.136 229 S HN 0.719 nan 8.310 nan 0.000 0.484 230 G N 0.292 109.137 108.800 0.076 0.000 3.087 230 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.680 230 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.680 230 G C -0.822 174.158 174.900 0.134 0.000 1.626 230 G CA 0.062 45.218 45.100 0.095 0.000 1.157 230 G HN 1.736 nan 8.290 nan 0.000 0.599 231 Y N 0.903 121.224 120.300 0.035 0.000 2.320 231 Y HA 0.648 5.198 4.550 -0.000 0.000 0.324 231 Y C 0.360 176.280 175.900 0.033 0.000 1.190 231 Y CA -0.651 57.469 58.100 0.033 0.000 1.215 231 Y CB 1.855 40.327 38.460 0.020 0.000 1.221 231 Y HN 0.677 nan 8.280 nan 0.000 0.486 232 S N 7.329 122.522 115.700 -0.846 0.000 2.524 232 S HA 0.234 4.704 4.470 -0.000 0.000 0.227 232 S C -2.233 171.946 174.600 -0.702 0.000 1.304 232 S CA -0.966 56.860 58.200 -0.624 0.000 1.185 232 S CB 1.332 64.408 63.200 -0.206 0.000 1.104 232 S HN 0.638 nan 8.310 nan 0.000 0.475 233 P HA -0.166 nan 4.420 nan 0.000 0.222 233 P C 0.990 178.109 177.300 -0.302 0.000 1.139 233 P CA 1.178 64.051 63.100 -0.379 0.000 0.790 233 P CB 0.302 31.870 31.700 -0.220 0.000 0.757 234 E N -2.221 117.705 120.200 -0.457 0.000 2.251 234 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 234 E C 1.419 177.676 176.600 -0.571 0.000 0.964 234 E CA 0.830 56.875 56.400 -0.591 0.000 0.868 234 E CB 0.023 29.156 29.700 -0.945 0.000 0.828 234 E HN 0.496 nan 8.360 nan 0.000 0.481 235 H N -0.353 118.633 119.070 -0.140 0.000 2.657 235 H HA 0.075 4.631 4.556 -0.000 0.000 0.262 235 H C 0.545 175.895 175.328 0.036 0.000 0.965 235 H CA -0.133 55.889 56.048 -0.043 0.000 1.184 235 H CB -0.240 29.480 29.762 -0.069 0.000 1.443 235 H HN 0.083 nan 8.280 nan 0.000 0.462 236 D N 1.500 121.955 120.400 0.092 0.000 2.461 236 D HA 0.002 4.642 4.640 -0.000 0.000 0.231 236 D C -0.135 176.263 176.300 0.163 0.000 1.208 236 D CA 0.613 54.701 54.000 0.146 0.000 0.879 236 D CB 0.754 41.698 40.800 0.240 0.000 1.220 236 D HN -0.084 nan 8.370 nan 0.000 0.480 237 V N 2.385 122.384 119.914 0.142 0.000 2.675 237 V HA 0.214 4.334 4.120 -0.000 0.000 0.266 237 V C 0.132 176.273 176.094 0.078 0.000 0.974 237 V CA -0.247 62.120 62.300 0.110 0.000 0.890 237 V CB 0.613 32.487 31.823 0.086 0.000 1.055 237 V HN 0.806 nan 8.190 nan 0.000 0.477 238 S N 3.276 119.028 115.700 0.088 0.000 3.783 238 S HA -0.121 4.349 4.470 -0.000 0.000 0.360 238 S C 1.402 176.035 174.600 0.055 0.000 1.006 238 S CA 1.370 59.603 58.200 0.054 0.000 1.115 238 S CB -1.135 62.082 63.200 0.028 0.000 0.893 238 S HN 2.727 nan 8.310 nan 0.000 0.475 239 G N -0.683 108.176 108.800 0.098 0.000 2.176 239 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 239 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 239 G C 0.007 174.973 174.900 0.110 0.000 0.986 239 G CA 0.125 45.283 45.100 0.097 0.000 0.643 239 G HN 1.301 nan 8.290 nan 0.000 0.522 240 I N 0.667 121.299 120.570 0.103 0.000 2.969 240 I HA 0.603 4.773 4.170 -0.000 0.000 0.307 240 I C 0.227 176.403 176.117 0.098 0.000 1.149 240 I CA -1.060 60.289 61.300 0.082 0.000 1.008 240 I CB 2.303 40.325 38.000 0.037 0.000 1.232 240 I HN 0.111 nan 8.210 nan 0.000 0.435 241 S N 0.733 116.492 115.700 0.099 0.000 2.537 241 S HA 0.236 4.706 4.470 -0.000 0.000 0.275 241 S C -0.162 174.512 174.600 0.124 0.000 1.272 241 S CA -0.599 57.685 58.200 0.140 0.000 1.050 241 S CB 0.913 64.209 63.200 0.159 0.000 0.961 241 S HN 0.730 nan 8.310 nan 0.000 0.496 242 D N 2.286 122.806 120.400 0.200 0.000 2.827 242 D HA -0.120 4.520 4.640 -0.000 0.000 0.217 242 D C -1.611 174.736 176.300 0.079 0.000 1.233 242 D CA 0.225 54.368 54.000 0.239 0.000 0.618 242 D CB -0.834 40.137 40.800 0.285 0.000 0.984 242 D HN 0.384 nan 8.370 nan 0.000 0.399 243 P HA -0.295 nan 4.420 nan 0.000 0.222 243 P C 1.371 178.537 177.300 -0.223 0.000 1.147 243 P CA 1.547 64.481 63.100 -0.277 0.000 0.958 243 P CB -0.078 31.312 31.700 -0.517 0.000 0.788 244 F N -1.419 118.596 119.950 0.109 0.000 2.041 244 F HA -0.264 4.263 4.527 -0.000 0.000 0.296 244 F C 2.382 178.254 175.800 0.120 0.000 1.147 244 F CA 1.441 59.538 58.000 0.162 0.000 1.214 244 F CB -1.998 37.136 39.000 0.224 0.000 0.947 244 F HN -0.116 nan 8.300 nan 0.000 0.511 245 L N 0.229 121.687 121.223 0.391 0.000 2.011 245 L HA -0.335 4.005 4.340 -0.000 0.000 0.225 245 L C 2.356 179.213 176.870 -0.022 0.000 1.084 245 L CA 2.089 56.992 54.840 0.105 0.000 0.791 245 L CB -1.314 40.783 42.059 0.065 0.000 0.898 245 L HN 0.339 nan 8.230 nan 0.000 0.440 246 Q N -1.217 118.580 119.800 -0.006 0.000 2.029 246 Q HA -0.253 4.087 4.340 -0.000 0.000 0.209 246 Q C 2.020 177.997 176.000 -0.038 0.000 0.999 246 Q CA 2.634 58.416 55.803 -0.034 0.000 0.857 246 Q CB -0.473 28.247 28.738 -0.030 0.000 0.926 246 Q HN 0.548 nan 8.270 nan 0.000 0.415 247 V N 0.891 120.793 119.914 -0.021 0.000 2.232 247 V HA -0.341 3.779 4.120 -0.000 0.000 0.241 247 V C 2.209 178.281 176.094 -0.037 0.000 1.036 247 V CA 1.917 64.209 62.300 -0.014 0.000 0.993 247 V CB -0.765 31.073 31.823 0.025 0.000 0.639 247 V HN 0.382 nan 8.190 nan 0.000 0.459 248 R N -0.438 120.039 120.500 -0.039 0.000 2.227 248 R HA -0.236 4.104 4.340 -0.000 0.000 0.259 248 R C 2.070 178.298 176.300 -0.120 0.000 1.139 248 R CA 2.098 58.136 56.100 -0.104 0.000 0.969 248 R CB -1.284 28.855 30.300 -0.270 0.000 0.903 248 R HN 0.450 nan 8.270 nan 0.000 0.452 249 I N 1.099 121.592 120.570 -0.128 0.000 2.044 249 I HA -0.333 3.837 4.170 -0.000 0.000 0.234 249 I C 2.653 178.719 176.117 -0.085 0.000 1.031 249 I CA 1.460 62.695 61.300 -0.109 0.000 1.305 249 I CB -1.281 36.663 38.000 -0.094 0.000 1.026 249 I HN 0.155 nan 8.210 nan 0.000 0.392 250 L N -0.004 121.177 121.223 -0.070 0.000 2.026 250 L HA -0.368 3.972 4.340 -0.000 0.000 0.231 250 L C 2.775 179.602 176.870 -0.072 0.000 1.095 250 L CA 2.393 57.194 54.840 -0.065 0.000 0.810 250 L CB -0.982 41.042 42.059 -0.058 0.000 0.909 250 L HN 0.323 nan 8.230 nan 0.000 0.444 251 R N 0.337 120.795 120.500 -0.070 0.000 2.179 251 R HA -0.277 4.063 4.340 -0.000 0.000 0.238 251 R C 2.397 178.653 176.300 -0.073 0.000 1.119 251 R CA 2.459 58.518 56.100 -0.068 0.000 0.915 251 R CB -0.752 29.515 30.300 -0.053 0.000 0.870 251 R HN 0.335 nan 8.270 nan 0.000 0.432 252 L N 0.578 121.756 121.223 -0.076 0.000 2.021 252 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 252 L C 2.407 179.223 176.870 -0.091 0.000 1.074 252 L CA 1.760 56.553 54.840 -0.079 0.000 0.760 252 L CB -0.306 41.703 42.059 -0.082 0.000 0.889 252 L HN 0.410 nan 8.230 nan 0.000 0.433 253 L N -0.801 120.368 121.223 -0.089 0.000 1.990 253 L HA -0.295 4.045 4.340 -0.000 0.000 0.213 253 L C 2.753 179.554 176.870 -0.114 0.000 1.072 253 L CA 1.833 56.616 54.840 -0.096 0.000 0.755 253 L CB -1.006 41.008 42.059 -0.076 0.000 0.889 253 L HN 0.364 nan 8.230 nan 0.000 0.432 254 R N 0.868 121.310 120.500 -0.096 0.000 2.196 254 R HA -0.289 4.051 4.340 -0.000 0.000 0.227 254 R C 2.368 178.599 176.300 -0.114 0.000 1.108 254 R CA 2.596 58.639 56.100 -0.096 0.000 0.884 254 R CB -0.760 29.489 30.300 -0.084 0.000 0.839 254 R HN 0.189 nan 8.270 nan 0.000 0.431 255 I N 1.222 121.731 120.570 -0.102 0.000 2.181 255 I HA -0.314 3.856 4.170 -0.000 0.000 0.247 255 I C 2.258 178.278 176.117 -0.163 0.000 1.081 255 I CA 1.577 62.816 61.300 -0.103 0.000 1.340 255 I CB -0.291 37.664 38.000 -0.075 0.000 1.036 255 I HN 0.386 nan 8.210 nan 0.000 0.417 256 L N -0.241 120.848 121.223 -0.222 0.000 1.994 256 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 256 L C 2.160 178.636 176.870 -0.655 0.000 1.071 256 L CA 1.502 56.086 54.840 -0.427 0.000 0.745 256 L CB -1.218 40.606 42.059 -0.392 0.000 0.892 256 L HN 0.415 nan 8.230 nan 0.000 0.431 257 G N -1.063 107.487 108.800 -0.416 0.000 3.234 257 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.221 257 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.221 257 G C 1.214 176.019 174.900 -0.158 0.000 1.229 257 G CA -0.154 44.764 45.100 -0.303 0.000 0.909 257 G HN 0.111 nan 8.290 nan 0.000 0.510 258 R N 1.100 121.501 120.500 -0.165 0.000 2.292 258 R HA -0.174 4.166 4.340 -0.000 0.000 0.223 258 R C 0.255 176.546 176.300 -0.014 0.000 1.088 258 R CA 1.738 57.797 56.100 -0.070 0.000 0.849 258 R CB -0.266 30.004 30.300 -0.049 0.000 0.852 258 R HN 0.301 nan 8.270 nan 0.000 0.424 259 N N 1.003 119.724 118.700 0.035 0.000 2.569 259 N HA 0.238 4.978 4.740 -0.000 0.000 0.254 259 N C -1.663 173.924 175.510 0.128 0.000 1.004 259 N CA -0.319 52.769 53.050 0.062 0.000 0.904 259 N CB 1.521 40.040 38.487 0.054 0.000 1.165 259 N HN 0.347 nan 8.380 nan 0.000 0.513 260 D N 0.424 120.899 120.400 0.126 0.000 2.842 260 D HA 0.139 4.779 4.640 -0.000 0.000 0.248 260 D C -0.562 175.815 176.300 0.127 0.000 1.140 260 D CA -0.348 53.760 54.000 0.181 0.000 0.728 260 D CB 0.988 42.061 40.800 0.456 0.000 1.595 260 D HN 0.042 nan 8.370 nan 0.000 0.450 261 D N 0.670 121.127 120.400 0.096 0.000 2.232 261 D HA 0.007 4.647 4.640 -0.000 0.000 0.220 261 D C 1.049 177.398 176.300 0.082 0.000 0.982 261 D CA 0.537 54.577 54.000 0.066 0.000 0.892 261 D CB 0.003 40.826 40.800 0.039 0.000 1.040 261 D HN 0.443 nan 8.370 nan 0.000 0.463 262 D N 0.864 121.312 120.400 0.081 0.000 2.355 262 D HA -0.248 4.392 4.640 -0.000 0.000 0.192 262 D C 2.145 178.525 176.300 0.134 0.000 1.014 262 D CA 2.455 56.506 54.000 0.085 0.000 0.862 262 D CB -0.546 40.285 40.800 0.053 0.000 0.986 262 D HN 0.240 nan 8.370 nan 0.000 0.456 263 S N 1.201 117.058 115.700 0.262 0.000 2.427 263 S HA -0.249 4.221 4.470 -0.000 0.000 0.231 263 S C 2.241 176.891 174.600 0.083 0.000 1.045 263 S CA 2.418 60.751 58.200 0.221 0.000 1.154 263 S CB -0.967 62.361 63.200 0.214 0.000 1.093 263 S HN 0.267 nan 8.310 nan 0.000 0.422 264 S N 2.094 117.830 115.700 0.059 0.000 2.404 264 S HA -0.290 4.180 4.470 -0.000 0.000 0.230 264 S C 1.870 176.484 174.600 0.024 0.000 1.046 264 S CA 1.600 59.813 58.200 0.022 0.000 1.135 264 S CB -1.089 62.125 63.200 0.023 0.000 1.056 264 S HN 0.668 nan 8.310 nan 0.000 0.426 265 E N 0.992 121.212 120.200 0.033 0.000 2.279 265 E HA -0.247 4.103 4.350 -0.000 0.000 0.205 265 E C 1.693 178.307 176.600 0.024 0.000 1.028 265 E CA 1.102 57.518 56.400 0.026 0.000 0.830 265 E CB -0.210 29.508 29.700 0.030 0.000 0.736 265 E HN 0.571 nan 8.360 nan 0.000 0.478 266 A N -0.853 121.986 122.820 0.032 0.000 2.308 266 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 266 A C 1.681 179.275 177.584 0.016 0.000 1.216 266 A CA -0.001 52.052 52.037 0.028 0.000 0.864 266 A CB 0.181 19.206 19.000 0.043 0.000 0.902 266 A HN 0.168 nan 8.150 nan 0.000 0.499 267 M N -0.542 119.063 119.600 0.008 0.000 2.800 267 M HA 0.015 4.495 4.480 -0.000 0.000 0.257 267 M C 1.827 178.122 176.300 -0.007 0.000 1.309 267 M CA 0.917 56.214 55.300 -0.005 0.000 1.202 267 M CB -0.271 32.319 32.600 -0.018 0.000 1.273 267 M HN 0.553 nan 8.290 nan 0.000 0.528 268 N N 1.270 119.967 118.700 -0.005 0.000 2.310 268 N HA -0.259 4.481 4.740 -0.000 0.000 0.193 268 N C 0.815 176.322 175.510 -0.006 0.000 1.001 268 N CA 2.170 55.216 53.050 -0.007 0.000 0.890 268 N CB -0.685 37.800 38.487 -0.004 0.000 0.972 268 N HN 0.368 nan 8.380 nan 0.000 0.445 269 D N 0.123 120.521 120.400 -0.003 0.000 2.087 269 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 269 D C 1.900 178.198 176.300 -0.004 0.000 0.980 269 D CA 1.156 55.155 54.000 -0.002 0.000 0.849 269 D CB -0.462 40.339 40.800 0.001 0.000 1.001 269 D HN 0.309 nan 8.370 nan 0.000 0.452 270 I N 1.825 122.392 120.570 -0.006 0.000 2.145 270 I HA -0.279 3.891 4.170 -0.000 0.000 0.244 270 I C 2.126 178.237 176.117 -0.010 0.000 1.075 270 I CA 1.164 62.459 61.300 -0.008 0.000 1.332 270 I CB -0.358 37.635 38.000 -0.012 0.000 1.033 270 I HN -0.032 nan 8.210 nan 0.000 0.410 271 L N 0.691 121.906 121.223 -0.014 0.000 1.941 271 L HA -0.302 4.038 4.340 -0.000 0.000 0.224 271 L C 2.791 179.654 176.870 -0.012 0.000 1.081 271 L CA 2.565 57.395 54.840 -0.017 0.000 0.784 271 L CB -2.243 39.804 42.059 -0.021 0.000 0.894 271 L HN 0.436 nan 8.230 nan 0.000 0.436 272 A N -0.663 122.150 122.820 -0.011 0.000 1.894 272 A HA -0.357 3.963 4.320 -0.000 0.000 0.220 272 A C 2.197 179.778 177.584 -0.004 0.000 1.237 272 A CA 2.586 54.618 52.037 -0.008 0.000 0.660 272 A CB -0.895 18.102 19.000 -0.006 0.000 0.835 272 A HN 0.626 nan 8.150 nan 0.000 0.461 273 Q N -1.030 118.769 119.800 -0.002 0.000 2.029 273 Q HA -0.191 4.149 4.340 -0.000 0.000 0.209 273 Q C 2.158 178.160 176.000 0.003 0.000 0.999 273 Q CA 2.082 57.886 55.803 0.001 0.000 0.857 273 Q CB -0.558 28.181 28.738 0.002 0.000 0.926 273 Q HN 0.503 nan 8.270 nan 0.000 0.415 274 V N 1.022 120.936 119.914 0.001 0.000 2.363 274 V HA -0.387 3.733 4.120 -0.000 0.000 0.254 274 V C 2.176 178.276 176.094 0.009 0.000 1.074 274 V CA 2.026 64.328 62.300 0.003 0.000 1.069 274 V CB -1.124 30.697 31.823 -0.003 0.000 0.659 274 V HN 0.485 nan 8.190 nan 0.000 0.455 275 A N -0.334 122.488 122.820 0.004 0.000 1.825 275 A HA -0.198 4.122 4.320 -0.000 0.000 0.214 275 A C 2.413 180.004 177.584 0.011 0.000 1.206 275 A CA 2.450 54.490 52.037 0.005 0.000 0.609 275 A CB -1.219 17.776 19.000 -0.008 0.000 0.851 275 A HN 0.488 nan 8.150 nan 0.000 0.445 276 T N 0.972 115.530 114.554 0.006 0.000 2.684 276 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 276 T C 1.450 176.159 174.700 0.014 0.000 1.036 276 T CA 1.783 63.889 62.100 0.009 0.000 1.148 276 T CB -0.533 68.338 68.868 0.006 0.000 0.863 276 T HN 0.477 nan 8.240 nan 0.000 0.436 277 N N 0.959 119.667 118.700 0.014 0.000 2.515 277 N HA 0.066 4.806 4.740 -0.000 0.000 0.191 277 N C 0.038 175.562 175.510 0.022 0.000 1.182 277 N CA 0.340 53.400 53.050 0.017 0.000 0.879 277 N CB -0.026 38.470 38.487 0.016 0.000 0.984 277 N HN 0.376 nan 8.380 nan 0.000 0.453 278 T N 0.193 114.763 114.554 0.026 0.000 2.945 278 T HA 0.348 4.698 4.350 -0.000 0.000 0.286 278 T C -0.079 174.642 174.700 0.036 0.000 1.025 278 T CA -0.688 61.431 62.100 0.032 0.000 1.039 278 T CB 1.410 70.299 68.868 0.036 0.000 1.068 278 T HN -0.059 nan 8.240 nan 0.000 0.497 279 E N 1.233 121.453 120.200 0.034 0.000 2.152 279 E HA 0.272 4.622 4.350 -0.000 0.000 0.285 279 E C 0.551 177.173 176.600 0.037 0.000 1.043 279 E CA -0.156 56.263 56.400 0.031 0.000 0.839 279 E CB 0.516 30.230 29.700 0.024 0.000 1.069 279 E HN 0.499 nan 8.360 nan 0.000 0.399 280 T N 0.908 115.487 114.554 0.042 0.000 3.148 280 T HA -0.121 4.229 4.350 -0.000 0.000 0.253 280 T C 1.719 176.435 174.700 0.025 0.000 1.134 280 T CA 0.636 62.766 62.100 0.051 0.000 1.051 280 T CB -0.145 68.763 68.868 0.067 0.000 0.959 280 T HN 0.561 nan 8.240 nan 0.000 0.525 281 S N 2.469 118.179 115.700 0.016 0.000 2.548 281 S HA -0.205 4.265 4.470 -0.000 0.000 0.252 281 S C 0.663 175.259 174.600 -0.006 0.000 1.076 281 S CA 0.840 59.043 58.200 0.005 0.000 1.395 281 S CB -0.320 62.882 63.200 0.003 0.000 1.230 281 S HN 0.504 nan 8.310 nan 0.000 0.418 282 K N 1.638 122.031 120.400 -0.012 0.000 2.371 282 K HA 0.331 4.651 4.320 -0.000 0.000 0.251 282 K C 0.943 177.521 176.600 -0.036 0.000 0.934 282 K CA -0.223 56.049 56.287 -0.025 0.000 0.798 282 K CB 1.302 33.790 32.500 -0.019 0.000 1.204 282 K HN 0.494 nan 8.250 nan 0.000 0.427 283 N N 1.916 120.579 118.700 -0.060 0.000 1.643 283 N HA -0.383 4.357 4.740 -0.000 0.000 0.123 283 N C 1.172 176.645 175.510 -0.062 0.000 0.476 283 N CA 3.071 56.072 53.050 -0.082 0.000 0.796 283 N CB -1.096 37.346 38.487 -0.075 0.000 0.712 283 N HN 0.324 nan 8.380 nan 0.000 1.360 284 V N 1.380 121.266 119.914 -0.046 0.000 2.256 284 V HA -0.360 3.760 4.120 -0.000 0.000 0.256 284 V C 2.790 178.860 176.094 -0.041 0.000 1.060 284 V CA 3.187 65.457 62.300 -0.051 0.000 1.081 284 V CB -1.761 30.037 31.823 -0.041 0.000 0.709 284 V HN 0.786 nan 8.190 nan 0.000 0.471 285 G N -0.315 108.472 108.800 -0.021 0.000 2.672 285 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.218 285 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.218 285 G C 1.215 176.129 174.900 0.022 0.000 1.238 285 G CA 1.600 46.702 45.100 0.004 0.000 0.791 285 G HN 0.630 nan 8.290 nan 0.000 0.606 286 N N 1.318 120.021 118.700 0.006 0.000 2.089 286 N HA -0.210 4.530 4.740 -0.000 0.000 0.198 286 N C 2.365 177.901 175.510 0.044 0.000 1.017 286 N CA 2.082 55.130 53.050 -0.003 0.000 0.880 286 N CB -0.555 37.801 38.487 -0.218 0.000 1.042 286 N HN 0.447 nan 8.380 nan 0.000 0.446 287 A N 1.192 124.015 122.820 0.004 0.000 1.869 287 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 287 A C 2.097 179.749 177.584 0.113 0.000 1.203 287 A CA 1.425 53.500 52.037 0.063 0.000 0.638 287 A CB -0.795 18.209 19.000 0.008 0.000 0.831 287 A HN 0.199 nan 8.150 nan 0.000 0.450 288 I N -0.638 119.963 120.570 0.052 0.000 2.074 288 I HA -0.306 3.864 4.170 -0.000 0.000 0.238 288 I C 2.513 178.683 176.117 0.088 0.000 1.037 288 I CA 1.869 63.195 61.300 0.043 0.000 1.301 288 I CB -1.485 36.529 38.000 0.023 0.000 1.016 288 I HN 0.263 nan 8.210 nan 0.000 0.400 289 L N -0.232 121.075 121.223 0.141 0.000 1.971 289 L HA -0.297 4.043 4.340 -0.000 0.000 0.215 289 L C 2.511 179.525 176.870 0.239 0.000 1.072 289 L CA 1.930 56.884 54.840 0.190 0.000 0.758 289 L CB -1.598 40.641 42.059 0.300 0.000 0.889 289 L HN 0.225 nan 8.230 nan 0.000 0.433 290 Y N 0.855 121.291 120.300 0.227 0.000 2.038 290 Y HA -0.408 4.142 4.550 -0.000 0.000 0.266 290 Y C 2.710 178.669 175.900 0.098 0.000 1.220 290 Y CA 2.340 60.563 58.100 0.205 0.000 1.107 290 Y CB -0.660 37.879 38.460 0.131 0.000 0.932 290 Y HN 0.335 nan 8.280 nan 0.000 0.500 291 E N -0.333 119.820 120.200 -0.079 0.000 2.023 291 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 291 E C 2.340 178.855 176.600 -0.143 0.000 1.003 291 E CA 2.778 59.055 56.400 -0.204 0.000 0.809 291 E CB -0.747 28.907 29.700 -0.077 0.000 0.755 291 E HN 0.661 nan 8.360 nan 0.000 0.449 292 T N -1.305 113.215 114.554 -0.057 0.000 2.649 292 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 292 T C 1.982 176.643 174.700 -0.066 0.000 1.036 292 T CA 2.107 64.178 62.100 -0.048 0.000 1.157 292 T CB -1.146 67.713 68.868 -0.015 0.000 0.861 292 T HN 0.034 nan 8.240 nan 0.000 0.445 293 V N 2.216 122.092 119.914 -0.063 0.000 2.220 293 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 293 V C 2.818 178.849 176.094 -0.104 0.000 1.049 293 V CA 2.030 64.285 62.300 -0.075 0.000 1.003 293 V CB -1.069 30.720 31.823 -0.057 0.000 0.634 293 V HN 0.442 nan 8.190 nan 0.000 0.444 294 L N -0.259 120.862 121.223 -0.171 0.000 2.030 294 L HA -0.336 4.004 4.340 -0.000 0.000 0.222 294 L C 2.665 179.466 176.870 -0.115 0.000 1.082 294 L CA 2.448 57.186 54.840 -0.170 0.000 0.785 294 L CB -1.106 40.790 42.059 -0.271 0.000 0.895 294 L HN 0.437 nan 8.230 nan 0.000 0.439 295 T N 0.038 114.524 114.554 -0.114 0.000 2.607 295 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 295 T C 1.845 176.504 174.700 -0.069 0.000 1.049 295 T CA 1.745 63.794 62.100 -0.086 0.000 1.162 295 T CB -0.328 68.491 68.868 -0.082 0.000 0.863 295 T HN 0.230 nan 8.240 nan 0.000 0.424 296 I N 0.692 121.224 120.570 -0.063 0.000 2.381 296 I HA -0.239 3.931 4.170 -0.000 0.000 0.255 296 I C 2.330 178.420 176.117 -0.044 0.000 1.140 296 I CA 1.029 62.300 61.300 -0.049 0.000 1.404 296 I CB -0.347 37.625 38.000 -0.047 0.000 1.075 296 I HN 0.284 nan 8.210 nan 0.000 0.433 297 M N -0.465 119.105 119.600 -0.050 0.000 2.134 297 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 297 M C 1.818 178.099 176.300 -0.032 0.000 1.076 297 M CA 1.570 56.847 55.300 -0.039 0.000 1.143 297 M CB -1.183 31.392 32.600 -0.041 0.000 1.346 297 M HN 0.131 nan 8.290 nan 0.000 0.421 298 D N 0.561 120.938 120.400 -0.039 0.000 2.351 298 D HA 0.046 4.686 4.640 -0.000 0.000 0.216 298 D C 0.555 176.838 176.300 -0.029 0.000 0.968 298 D CA 0.670 54.650 54.000 -0.033 0.000 0.899 298 D CB 0.408 41.184 40.800 -0.040 0.000 0.907 298 D HN 0.311 nan 8.370 nan 0.000 0.514 299 I N 1.014 121.565 120.570 -0.032 0.000 2.460 299 I HA 0.131 4.301 4.170 -0.000 0.000 0.298 299 I C 0.502 176.611 176.117 -0.012 0.000 0.989 299 I CA -0.929 60.356 61.300 -0.025 0.000 1.173 299 I CB 1.766 39.744 38.000 -0.037 0.000 1.338 299 I HN -0.409 nan 8.210 nan 0.000 0.456 300 K N 4.001 124.400 120.400 -0.001 0.000 2.527 300 K HA 0.226 4.546 4.320 -0.000 0.000 0.278 300 K C -0.254 176.348 176.600 0.003 0.000 0.981 300 K CA 0.232 56.522 56.287 0.006 0.000 1.009 300 K CB 0.339 32.849 32.500 0.017 0.000 0.895 300 K HN 0.827 nan 8.250 nan 0.000 0.493 301 S N -0.233 115.469 115.700 0.002 0.000 2.614 301 S HA 0.047 4.517 4.470 -0.000 0.000 0.280 301 S C -1.176 173.424 174.600 0.001 0.000 1.111 301 S CA -1.435 56.765 58.200 0.001 0.000 0.847 301 S CB 0.589 63.785 63.200 -0.006 0.000 1.079 301 S HN 0.687 nan 8.310 nan 0.000 0.452 302 E N 1.295 121.496 120.200 0.001 0.000 2.708 302 E HA 0.047 4.397 4.350 -0.000 0.000 0.260 302 E C 1.228 177.828 176.600 0.000 0.000 0.937 302 E CA 0.291 56.692 56.400 0.001 0.000 0.953 302 E CB 0.214 29.915 29.700 0.001 0.000 0.915 302 E HN 0.783 nan 8.360 nan 0.000 0.487 303 S N 3.121 118.823 115.700 0.002 0.000 2.374 303 S HA -0.233 4.237 4.470 -0.000 0.000 0.227 303 S C 1.931 176.531 174.600 0.000 0.000 1.037 303 S CA 1.045 59.246 58.200 0.002 0.000 1.024 303 S CB -0.982 62.221 63.200 0.005 0.000 0.861 303 S HN 0.753 nan 8.310 nan 0.000 0.456 304 G N 1.905 110.705 108.800 -0.001 0.000 2.442 304 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 304 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 304 G C 1.370 176.267 174.900 -0.005 0.000 1.141 304 G CA 1.058 46.157 45.100 -0.002 0.000 0.763 304 G HN 0.515 nan 8.290 nan 0.000 0.554 305 L N 0.710 121.929 121.223 -0.007 0.000 1.988 305 L HA 0.142 4.482 4.340 -0.000 0.000 0.207 305 L C 2.669 179.529 176.870 -0.016 0.000 1.071 305 L CA 2.354 57.188 54.840 -0.011 0.000 0.744 305 L CB -1.041 41.011 42.059 -0.011 0.000 0.893 305 L HN 0.236 nan 8.230 nan 0.000 0.433 306 R N -0.549 119.943 120.500 -0.013 0.000 2.113 306 R HA -0.186 4.154 4.340 -0.000 0.000 0.244 306 R C 2.058 178.347 176.300 -0.018 0.000 1.142 306 R CA 2.428 58.518 56.100 -0.017 0.000 0.953 306 R CB -0.620 29.675 30.300 -0.009 0.000 0.860 306 R HN 0.401 nan 8.270 nan 0.000 0.438 307 V N 1.269 121.177 119.914 -0.010 0.000 2.250 307 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 307 V C 2.357 178.443 176.094 -0.013 0.000 1.060 307 V CA 2.017 64.314 62.300 -0.006 0.000 1.030 307 V CB -0.787 31.035 31.823 -0.001 0.000 0.643 307 V HN 0.377 nan 8.190 nan 0.000 0.445 308 L N 0.665 121.878 121.223 -0.017 0.000 1.978 308 L HA -0.224 4.116 4.340 -0.000 0.000 0.218 308 L C 2.530 179.368 176.870 -0.053 0.000 1.075 308 L CA 2.536 57.361 54.840 -0.026 0.000 0.767 308 L CB -1.365 40.680 42.059 -0.024 0.000 0.890 308 L HN 0.290 nan 8.230 nan 0.000 0.434 309 A N 0.025 122.810 122.820 -0.058 0.000 1.893 309 A HA -0.324 3.996 4.320 -0.000 0.000 0.222 309 A C 2.185 179.694 177.584 -0.125 0.000 1.309 309 A CA 2.766 54.751 52.037 -0.086 0.000 0.681 309 A CB -1.140 17.821 19.000 -0.066 0.000 0.842 309 A HN 0.507 nan 8.150 nan 0.000 0.468 310 I N 0.283 120.797 120.570 -0.093 0.000 2.053 310 I HA -0.303 3.867 4.170 -0.000 0.000 0.236 310 I C 2.112 178.127 176.117 -0.170 0.000 1.038 310 I CA 1.994 63.226 61.300 -0.113 0.000 1.304 310 I CB -1.979 35.993 38.000 -0.046 0.000 1.023 310 I HN 0.411 nan 8.210 nan 0.000 0.395 311 N N 0.834 119.495 118.700 -0.065 0.000 2.242 311 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 311 N C 1.837 177.253 175.510 -0.157 0.000 1.005 311 N CA 1.351 54.398 53.050 -0.005 0.000 0.877 311 N CB -0.276 38.253 38.487 0.069 0.000 0.983 311 N HN 0.477 nan 8.380 nan 0.000 0.439 312 I N 0.878 121.319 120.570 -0.216 0.000 2.233 312 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 312 I C 2.176 177.916 176.117 -0.628 0.000 1.093 312 I CA 0.673 61.774 61.300 -0.331 0.000 1.380 312 I CB -0.209 37.607 38.000 -0.307 0.000 1.067 312 I HN 0.067 nan 8.210 nan 0.000 0.413 313 L N 0.496 121.343 121.223 -0.626 0.000 2.012 313 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 313 L C 2.768 179.370 176.870 -0.446 0.000 1.073 313 L CA 1.933 56.348 54.840 -0.709 0.000 0.748 313 L CB -1.838 40.015 42.059 -0.343 0.000 0.891 313 L HN 0.330 nan 8.230 nan 0.000 0.431 314 G N 0.198 108.696 108.800 -0.503 0.000 2.529 314 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.219 314 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.219 314 G C 1.732 176.518 174.900 -0.189 0.000 1.177 314 G CA 1.191 45.960 45.100 -0.552 0.000 0.773 314 G HN 0.316 nan 8.290 nan 0.000 0.573 315 R N -0.345 120.058 120.500 -0.162 0.000 2.154 315 R HA -0.120 4.220 4.340 -0.000 0.000 0.248 315 R C 2.301 178.691 176.300 0.151 0.000 1.155 315 R CA 1.482 57.579 56.100 -0.005 0.000 0.979 315 R CB -0.394 29.888 30.300 -0.030 0.000 0.869 315 R HN 0.538 nan 8.270 nan 0.000 0.452 316 F N 0.516 120.438 119.950 -0.047 0.000 2.022 316 F HA -0.249 4.278 4.527 -0.000 0.000 0.293 316 F C 2.382 178.164 175.800 -0.031 0.000 1.142 316 F CA 0.721 58.702 58.000 -0.033 0.000 1.177 316 F CB -0.448 38.531 39.000 -0.035 0.000 0.982 316 F HN -0.022 nan 8.300 nan 0.000 0.473 317 L N 0.534 121.875 121.223 0.198 0.000 2.143 317 L HA -0.342 3.998 4.340 -0.000 0.000 0.231 317 L C 2.033 178.943 176.870 0.068 0.000 1.106 317 L CA 1.579 56.472 54.840 0.089 0.000 0.827 317 L CB -1.371 40.710 42.059 0.036 0.000 0.915 317 L HN 0.318 nan 8.230 nan 0.000 0.448 318 L N -0.156 121.109 121.223 0.071 0.000 2.711 318 L HA -0.008 4.332 4.340 -0.000 0.000 0.242 318 L C 1.048 177.946 176.870 0.047 0.000 1.153 318 L CA -0.232 54.640 54.840 0.053 0.000 0.898 318 L CB -0.916 41.176 42.059 0.055 0.000 1.044 318 L HN 0.324 nan 8.230 nan 0.000 0.437 319 N N 1.037 119.767 118.700 0.050 0.000 2.520 319 N HA -0.022 4.718 4.740 -0.000 0.000 0.273 319 N C 0.767 176.279 175.510 0.002 0.000 1.155 319 N CA -0.017 53.046 53.050 0.022 0.000 0.967 319 N CB 0.800 39.284 38.487 -0.005 0.000 1.092 319 N HN 0.121 nan 8.380 nan 0.000 0.457 320 N N 2.036 120.734 118.700 -0.002 0.000 2.049 320 N HA -0.182 4.558 4.740 -0.000 0.000 0.198 320 N C -0.501 175.000 175.510 -0.015 0.000 1.030 320 N CA 1.451 54.497 53.050 -0.007 0.000 0.870 320 N CB -0.282 38.199 38.487 -0.009 0.000 1.045 320 N HN 0.667 nan 8.380 nan 0.000 0.434 321 D N 1.539 121.922 120.400 -0.027 0.000 2.264 321 D HA 0.127 4.767 4.640 -0.000 0.000 0.250 321 D C 1.004 177.278 176.300 -0.042 0.000 1.113 321 D CA -0.161 53.817 54.000 -0.036 0.000 0.871 321 D CB 1.532 42.304 40.800 -0.046 0.000 1.167 321 D HN 0.082 nan 8.370 nan 0.000 0.447 322 K N 1.653 122.032 120.400 -0.035 0.000 2.362 322 K HA -0.231 4.089 4.320 -0.000 0.000 0.224 322 K C 1.150 177.722 176.600 -0.046 0.000 0.771 322 K CA 0.455 56.723 56.287 -0.031 0.000 0.967 322 K CB -0.269 32.207 32.500 -0.039 0.000 0.515 322 K HN 0.346 nan 8.250 nan 0.000 0.869 323 N N 0.202 118.864 118.700 -0.064 0.000 1.060 323 N HA -0.332 4.408 4.740 -0.000 0.000 0.145 323 N C 1.553 177.021 175.510 -0.070 0.000 0.398 323 N CA 2.171 55.174 53.050 -0.078 0.000 0.963 323 N CB -1.339 37.091 38.487 -0.095 0.000 1.550 323 N HN 0.446 nan 8.380 nan 0.000 0.474 324 I N 1.226 121.704 120.570 -0.152 0.000 3.622 324 I HA -0.484 3.686 4.170 -0.000 0.000 0.171 324 I C 2.470 178.504 176.117 -0.137 0.000 0.765 324 I CA 2.506 63.651 61.300 -0.259 0.000 1.020 324 I CB -0.472 37.321 38.000 -0.345 0.000 0.803 324 I HN 0.403 nan 8.210 nan 0.000 0.300 325 R N -0.874 119.594 120.500 -0.054 0.000 2.190 325 R HA -0.313 4.027 4.340 -0.000 0.000 0.255 325 R C 2.179 178.525 176.300 0.076 0.000 1.143 325 R CA 2.593 58.713 56.100 0.032 0.000 0.965 325 R CB -0.954 29.369 30.300 0.039 0.000 0.889 325 R HN 0.434 nan 8.270 nan 0.000 0.448 326 Y N 1.506 121.766 120.300 -0.067 0.000 1.978 326 Y HA -0.366 4.184 4.550 -0.000 0.000 0.247 326 Y C 2.502 178.372 175.900 -0.051 0.000 1.102 326 Y CA 2.035 60.103 58.100 -0.053 0.000 1.069 326 Y CB -0.947 37.472 38.460 -0.068 0.000 0.954 326 Y HN -0.078 nan 8.280 nan 0.000 0.488 327 V N -0.142 119.726 119.914 -0.078 0.000 2.277 327 V HA -0.379 3.741 4.120 -0.000 0.000 0.253 327 V C 2.509 178.568 176.094 -0.058 0.000 1.067 327 V CA 2.262 64.440 62.300 -0.203 0.000 1.047 327 V CB -2.393 29.101 31.823 -0.549 0.000 0.649 327 V HN 0.612 nan 8.190 nan 0.000 0.447 328 A N 1.249 124.090 122.820 0.036 0.000 1.906 328 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 328 A C 2.272 179.881 177.584 0.043 0.000 1.282 328 A CA 3.016 55.149 52.037 0.160 0.000 0.675 328 A CB -0.892 18.227 19.000 0.197 0.000 0.838 328 A HN 0.609 nan 8.150 nan 0.000 0.469 329 L N -1.747 119.460 121.223 -0.026 0.000 1.961 329 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 329 L C 2.750 179.571 176.870 -0.082 0.000 1.072 329 L CA 1.918 56.722 54.840 -0.059 0.000 0.749 329 L CB -1.618 40.394 42.059 -0.078 0.000 0.889 329 L HN 0.446 nan 8.230 nan 0.000 0.432 330 T N 0.445 114.891 114.554 -0.179 0.000 2.397 330 T HA -0.350 4.000 4.350 -0.000 0.000 0.236 330 T C 2.032 176.711 174.700 -0.035 0.000 1.393 330 T CA 2.905 64.912 62.100 -0.155 0.000 1.148 330 T CB -0.692 68.041 68.868 -0.225 0.000 0.853 330 T HN 0.628 nan 8.240 nan 0.000 0.419 331 S N 2.127 117.849 115.700 0.035 0.000 2.368 331 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 331 S C 1.995 176.610 174.600 0.025 0.000 1.044 331 S CA 1.708 59.948 58.200 0.067 0.000 1.062 331 S CB -1.111 62.180 63.200 0.153 0.000 0.931 331 S HN 0.268 nan 8.310 nan 0.000 0.440 332 L N 0.974 122.205 121.223 0.014 0.000 2.054 332 L HA -0.177 4.163 4.340 -0.000 0.000 0.220 332 L C 2.378 179.247 176.870 -0.001 0.000 1.081 332 L CA 1.833 56.669 54.840 -0.007 0.000 0.780 332 L CB -0.975 41.070 42.059 -0.023 0.000 0.893 332 L HN 0.335 nan 8.230 nan 0.000 0.438 333 L N -0.740 120.482 121.223 -0.001 0.000 1.970 333 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 333 L C 2.377 179.260 176.870 0.020 0.000 1.071 333 L CA 1.871 56.718 54.840 0.012 0.000 0.751 333 L CB -1.012 41.051 42.059 0.008 0.000 0.889 333 L HN 0.204 nan 8.230 nan 0.000 0.432 334 K N -0.898 119.511 120.400 0.015 0.000 2.304 334 K HA -0.227 4.093 4.320 -0.000 0.000 0.204 334 K C 1.754 178.365 176.600 0.018 0.000 1.044 334 K CA 1.816 58.112 56.287 0.017 0.000 0.932 334 K CB -0.503 32.005 32.500 0.013 0.000 0.735 334 K HN 0.653 nan 8.250 nan 0.000 0.468 335 T N -3.441 111.124 114.554 0.018 0.000 2.990 335 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 335 T C 1.815 176.539 174.700 0.040 0.000 1.041 335 T CA -0.106 62.007 62.100 0.021 0.000 1.010 335 T CB 0.086 68.959 68.868 0.007 0.000 1.003 335 T HN -0.106 nan 8.240 nan 0.000 0.499 336 V N 3.178 123.121 119.914 0.048 0.000 2.380 336 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 336 V C 2.861 179.042 176.094 0.144 0.000 1.063 336 V CA 2.405 64.758 62.300 0.087 0.000 1.055 336 V CB -0.981 30.893 31.823 0.085 0.000 0.657 336 V HN 0.730 nan 8.190 nan 0.000 0.455 337 Q N -0.959 118.898 119.800 0.094 0.000 2.437 337 Q HA -0.106 4.234 4.340 -0.000 0.000 0.210 337 Q C 1.722 177.757 176.000 0.058 0.000 0.972 337 Q CA 1.636 57.483 55.803 0.073 0.000 0.903 337 Q CB -0.332 28.433 28.738 0.045 0.000 0.967 337 Q HN 0.588 nan 8.270 nan 0.000 0.486 338 T N 0.862 115.454 114.554 0.063 0.000 3.156 338 T HA 0.013 4.363 4.350 -0.000 0.000 0.236 338 T C 0.596 175.336 174.700 0.065 0.000 0.978 338 T CA 0.462 62.591 62.100 0.048 0.000 1.240 338 T CB 0.168 69.054 68.868 0.030 0.000 0.951 338 T HN 0.244 nan 8.240 nan 0.000 0.420 339 D N 0.892 121.331 120.400 0.066 0.000 2.706 339 D HA 0.162 4.802 4.640 -0.000 0.000 0.236 339 D C 0.809 177.161 176.300 0.086 0.000 1.231 339 D CA -0.016 54.022 54.000 0.063 0.000 0.828 339 D CB 0.267 41.085 40.800 0.029 0.000 1.015 339 D HN 0.348 nan 8.370 nan 0.000 0.484 340 H N 2.418 121.496 119.070 0.013 0.000 2.394 340 H HA -0.288 4.268 4.556 -0.000 0.000 0.289 340 H C 1.891 177.228 175.328 0.016 0.000 1.082 340 H CA 2.602 58.660 56.048 0.016 0.000 1.140 340 H CB -0.056 29.718 29.762 0.021 0.000 1.390 340 H HN 0.089 nan 8.280 nan 0.000 0.579 341 N N -0.036 118.747 118.700 0.138 0.000 2.242 341 N HA -0.216 4.524 4.740 -0.000 0.000 0.191 341 N C 1.663 177.170 175.510 -0.005 0.000 1.005 341 N CA 1.660 54.740 53.050 0.051 0.000 0.877 341 N CB -0.486 38.051 38.487 0.083 0.000 0.983 341 N HN 0.536 nan 8.380 nan 0.000 0.439 342 A N -0.284 122.539 122.820 0.006 0.000 1.874 342 A HA -0.007 4.313 4.320 -0.000 0.000 0.214 342 A C 2.428 180.015 177.584 0.005 0.000 1.189 342 A CA 1.587 53.627 52.037 0.005 0.000 0.615 342 A CB -0.976 18.033 19.000 0.014 0.000 0.830 342 A HN 0.267 nan 8.150 nan 0.000 0.443 343 V N -2.305 117.602 119.914 -0.013 0.000 2.407 343 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 343 V C 2.097 178.195 176.094 0.007 0.000 1.055 343 V CA 2.067 64.371 62.300 0.007 0.000 1.049 343 V CB -1.323 30.480 31.823 -0.033 0.000 0.662 343 V HN 0.471 nan 8.190 nan 0.000 0.455 344 Q N 0.735 120.482 119.800 -0.089 0.000 2.250 344 Q HA -0.253 4.087 4.340 -0.000 0.000 0.215 344 Q C 2.178 178.139 176.000 -0.064 0.000 1.002 344 Q CA 1.968 57.709 55.803 -0.103 0.000 0.910 344 Q CB -0.720 27.935 28.738 -0.138 0.000 0.939 344 Q HN 0.630 nan 8.270 nan 0.000 0.416 345 R N 0.149 120.609 120.500 -0.067 0.000 2.447 345 R HA -0.115 4.225 4.340 -0.000 0.000 0.215 345 R C 0.851 176.909 176.300 -0.404 0.000 1.130 345 R CA 0.737 56.721 56.100 -0.193 0.000 1.075 345 R CB -0.317 29.863 30.300 -0.201 0.000 0.824 345 R HN 0.528 nan 8.270 nan 0.000 0.484 346 H N -1.432 117.604 119.070 -0.057 0.000 3.876 346 H HA 0.079 4.635 4.556 -0.000 0.000 0.262 346 H C 1.692 176.989 175.328 -0.051 0.000 1.158 346 H CA 0.153 56.171 56.048 -0.049 0.000 1.170 346 H CB 0.564 30.297 29.762 -0.048 0.000 1.528 346 H HN 0.174 nan 8.280 nan 0.000 0.689 347 R N 0.948 121.471 120.500 0.038 0.000 2.162 347 R HA -0.214 4.126 4.340 -0.000 0.000 0.245 347 R C 2.047 178.342 176.300 -0.009 0.000 1.129 347 R CA 2.059 58.158 56.100 -0.002 0.000 0.940 347 R CB -0.922 29.359 30.300 -0.032 0.000 0.875 347 R HN 0.013 nan 8.270 nan 0.000 0.437 348 S N 0.427 116.114 115.700 -0.020 0.000 2.406 348 S HA -0.286 4.184 4.470 -0.000 0.000 0.242 348 S C 2.098 176.689 174.600 -0.016 0.000 1.079 348 S CA 3.079 61.263 58.200 -0.026 0.000 1.133 348 S CB -0.798 62.381 63.200 -0.035 0.000 1.005 348 S HN 0.807 nan 8.310 nan 0.000 0.443 349 T N 0.012 114.573 114.554 0.011 0.000 2.812 349 T HA 0.073 4.423 4.350 -0.000 0.000 0.264 349 T C 1.844 176.545 174.700 0.002 0.000 1.042 349 T CA 1.201 63.313 62.100 0.019 0.000 1.140 349 T CB -0.722 68.185 68.868 0.065 0.000 0.870 349 T HN 0.491 nan 8.240 nan 0.000 0.445 350 I N 2.529 123.102 120.570 0.005 0.000 2.044 350 I HA -0.242 3.928 4.170 -0.000 0.000 0.234 350 I C 2.896 178.978 176.117 -0.059 0.000 1.031 350 I CA 2.081 63.368 61.300 -0.023 0.000 1.305 350 I CB -1.037 36.948 38.000 -0.026 0.000 1.026 350 I HN 0.245 nan 8.210 nan 0.000 0.392 351 V N -1.224 118.642 119.914 -0.080 0.000 2.439 351 V HA -0.351 3.769 4.120 -0.000 0.000 0.253 351 V C 2.105 178.130 176.094 -0.115 0.000 1.074 351 V CA 2.424 64.645 62.300 -0.132 0.000 1.076 351 V CB -1.030 30.722 31.823 -0.118 0.000 0.664 351 V HN 0.518 nan 8.190 nan 0.000 0.461 352 D N -0.257 120.102 120.400 -0.069 0.000 2.271 352 D HA -0.169 4.471 4.640 -0.000 0.000 0.207 352 D C 1.931 178.204 176.300 -0.046 0.000 0.983 352 D CA 1.797 55.766 54.000 -0.052 0.000 0.878 352 D CB -0.054 40.727 40.800 -0.032 0.000 0.920 352 D HN 0.678 nan 8.370 nan 0.000 0.479 353 C N -0.003 119.265 119.300 -0.053 0.000 2.450 353 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 353 C C 2.790 177.753 174.990 -0.046 0.000 1.335 353 C CA -0.219 58.776 59.018 -0.038 0.000 1.749 353 C CB -1.069 26.653 27.740 -0.030 0.000 1.963 353 C HN 0.418 nan 8.230 nan 0.000 0.501 354 L N 0.881 122.036 121.223 -0.113 0.000 2.211 354 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 354 L C 2.181 179.086 176.870 0.058 0.000 1.092 354 L CA 1.540 56.296 54.840 -0.140 0.000 0.767 354 L CB -0.762 41.011 42.059 -0.478 0.000 0.894 354 L HN 0.441 nan 8.230 nan 0.000 0.437 355 K N -0.248 120.177 120.400 0.042 0.000 2.589 355 K HA -0.033 4.287 4.320 -0.000 0.000 0.192 355 K C 0.521 177.144 176.600 0.039 0.000 1.029 355 K CA -0.032 56.297 56.287 0.069 0.000 1.031 355 K CB -0.220 32.303 32.500 0.038 0.000 0.821 355 K HN 0.294 nan 8.250 nan 0.000 0.502 356 D N 0.509 120.923 120.400 0.024 0.000 2.329 356 D HA 0.069 4.709 4.640 -0.000 0.000 0.246 356 D C 0.506 176.806 176.300 -0.000 0.000 1.111 356 D CA -0.161 53.845 54.000 0.011 0.000 0.941 356 D CB 1.110 41.916 40.800 0.010 0.000 1.169 356 D HN -0.031 nan 8.370 nan 0.000 0.441 357 L N 1.463 122.681 121.223 -0.007 0.000 2.688 357 L HA 0.180 4.520 4.340 -0.000 0.000 0.234 357 L C 0.551 177.406 176.870 -0.024 0.000 1.192 357 L CA 0.066 54.894 54.840 -0.020 0.000 0.984 357 L CB -0.009 42.040 42.059 -0.016 0.000 1.232 357 L HN 0.164 nan 8.230 nan 0.000 0.465 358 D N -0.392 119.998 120.400 -0.017 0.000 2.542 358 D HA 0.149 4.789 4.640 -0.000 0.000 0.252 358 D C 1.057 177.365 176.300 0.014 0.000 1.222 358 D CA -0.301 53.694 54.000 -0.009 0.000 0.895 358 D CB 2.299 43.093 40.800 -0.010 0.000 1.207 358 D HN -0.198 nan 8.370 nan 0.000 0.558 359 V N 3.531 123.454 119.914 0.015 0.000 2.230 359 V HA -0.377 3.743 4.120 -0.000 0.000 0.256 359 V C 2.382 178.599 176.094 0.206 0.000 1.064 359 V CA 2.433 64.784 62.300 0.085 0.000 1.050 359 V CB -1.032 30.885 31.823 0.156 0.000 0.666 359 V HN 0.615 nan 8.190 nan 0.000 0.457 360 S N 0.067 115.881 115.700 0.191 0.000 2.401 360 S HA -0.293 4.177 4.470 -0.000 0.000 0.236 360 S C 1.745 176.525 174.600 0.299 0.000 1.058 360 S CA 2.430 60.800 58.200 0.282 0.000 1.151 360 S CB -0.657 62.709 63.200 0.276 0.000 1.049 360 S HN 0.519 nan 8.310 nan 0.000 0.432 361 I N 1.633 122.355 120.570 0.253 0.000 2.074 361 I HA -0.333 3.837 4.170 -0.000 0.000 0.238 361 I C 2.543 178.737 176.117 0.129 0.000 1.037 361 I CA 1.533 62.945 61.300 0.187 0.000 1.301 361 I CB -0.576 37.496 38.000 0.121 0.000 1.016 361 I HN 0.222 nan 8.210 nan 0.000 0.400 362 K N 0.443 120.907 120.400 0.107 0.000 1.988 362 K HA -0.323 3.997 4.320 -0.000 0.000 0.231 362 K C 2.056 178.782 176.600 0.210 0.000 1.044 362 K CA 2.128 58.473 56.287 0.097 0.000 1.013 362 K CB -0.779 31.704 32.500 -0.028 0.000 0.736 362 K HN 0.262 nan 8.250 nan 0.000 0.446 363 R N 0.716 121.490 120.500 0.457 0.000 2.264 363 R HA -0.272 4.068 4.340 -0.000 0.000 0.223 363 R C 2.402 178.789 176.300 0.145 0.000 1.090 363 R CA 2.442 58.774 56.100 0.386 0.000 0.857 363 R CB -0.282 30.184 30.300 0.276 0.000 0.835 363 R HN 0.100 nan 8.270 nan 0.000 0.428 364 R N -0.139 120.425 120.500 0.107 0.000 2.227 364 R HA -0.287 4.053 4.340 -0.000 0.000 0.246 364 R C 2.156 178.455 176.300 -0.002 0.000 1.119 364 R CA 2.269 58.386 56.100 0.029 0.000 0.930 364 R CB -1.386 28.903 30.300 -0.017 0.000 0.912 364 R HN 0.597 nan 8.270 nan 0.000 0.435 365 A N 0.677 123.493 122.820 -0.006 0.000 1.873 365 A HA -0.388 3.932 4.320 -0.000 0.000 0.219 365 A C 2.176 179.688 177.584 -0.120 0.000 1.269 365 A CA 2.585 54.584 52.037 -0.064 0.000 0.671 365 A CB -0.998 17.953 19.000 -0.083 0.000 0.842 365 A HN 0.535 nan 8.150 nan 0.000 0.460 366 M N -0.797 118.705 119.600 -0.163 0.000 2.539 366 M HA -0.320 4.160 4.480 -0.000 0.000 0.265 366 M C 1.995 178.155 176.300 -0.234 0.000 1.064 366 M CA 2.817 57.930 55.300 -0.311 0.000 1.077 366 M CB -0.665 31.806 32.600 -0.216 0.000 1.246 366 M HN 0.615 nan 8.290 nan 0.000 0.470 367 E N 0.321 120.483 120.200 -0.063 0.000 2.164 367 E HA -0.348 4.002 4.350 -0.000 0.000 0.233 367 E C 1.847 178.506 176.600 0.098 0.000 1.073 367 E CA 2.535 58.980 56.400 0.075 0.000 0.941 367 E CB -0.843 28.895 29.700 0.063 0.000 0.820 367 E HN 0.658 nan 8.360 nan 0.000 0.486 368 L N 1.154 122.398 121.223 0.035 0.000 1.929 368 L HA -0.329 4.011 4.340 -0.000 0.000 0.229 368 L C 2.511 179.410 176.870 0.049 0.000 1.086 368 L CA 2.804 57.666 54.840 0.036 0.000 0.798 368 L CB -0.695 41.362 42.059 -0.003 0.000 0.898 368 L HN 0.289 nan 8.230 nan 0.000 0.436 369 S N -0.246 115.444 115.700 -0.018 0.000 2.444 369 S HA -0.416 4.054 4.470 -0.000 0.000 0.274 369 S C 1.757 176.414 174.600 0.095 0.000 1.130 369 S CA 2.275 60.461 58.200 -0.025 0.000 1.243 369 S CB -1.951 61.168 63.200 -0.135 0.000 1.166 369 S HN 0.572 nan 8.310 nan 0.000 0.439 370 F N 2.575 122.510 119.950 -0.025 0.000 2.041 370 F HA -0.326 4.201 4.527 -0.000 0.000 0.296 370 F C 3.148 178.932 175.800 -0.028 0.000 1.147 370 F CA 1.098 59.090 58.000 -0.013 0.000 1.214 370 F CB -0.993 38.015 39.000 0.015 0.000 0.947 370 F HN 0.406 nan 8.300 nan 0.000 0.511 371 A N -0.090 122.870 122.820 0.233 0.000 2.023 371 A HA -0.273 4.047 4.320 -0.000 0.000 0.223 371 A C 1.688 179.327 177.584 0.090 0.000 1.180 371 A CA 2.135 54.245 52.037 0.122 0.000 0.659 371 A CB -1.054 18.019 19.000 0.122 0.000 0.817 371 A HN 0.415 nan 8.150 nan 0.000 0.466 372 L N -0.557 120.701 121.223 0.058 0.000 2.552 372 L HA 0.062 4.402 4.340 -0.000 0.000 0.227 372 L C 0.701 177.543 176.870 -0.047 0.000 1.146 372 L CA 0.181 55.018 54.840 -0.004 0.000 0.858 372 L CB -0.568 41.456 42.059 -0.059 0.000 0.969 372 L HN 0.084 nan 8.230 nan 0.000 0.451 373 V N 1.550 121.414 119.914 -0.083 0.000 2.539 373 V HA -0.095 4.025 4.120 -0.000 0.000 0.300 373 V C 0.908 176.759 176.094 -0.406 0.000 1.019 373 V CA 0.430 62.608 62.300 -0.204 0.000 1.160 373 V CB -0.294 31.383 31.823 -0.245 0.000 0.901 373 V HN 0.404 nan 8.190 nan 0.000 0.481 374 N N 3.472 122.031 118.700 -0.236 0.000 2.818 374 N HA 0.438 5.178 4.740 -0.000 0.000 0.312 374 N C 1.056 176.566 175.510 -0.001 0.000 1.368 374 N CA 0.387 53.367 53.050 -0.117 0.000 0.817 374 N CB 1.140 39.650 38.487 0.038 0.000 1.116 374 N HN 0.544 nan 8.380 nan 0.000 0.519 375 G N 0.440 109.343 108.800 0.171 0.000 2.724 375 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 375 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 375 G C 0.901 175.824 174.900 0.039 0.000 1.251 375 G CA 0.242 45.455 45.100 0.188 0.000 0.867 375 G HN 0.652 nan 8.290 nan 0.000 0.590 376 N N 1.420 120.132 118.700 0.020 0.000 2.659 376 N HA -0.110 4.630 4.740 -0.000 0.000 0.194 376 N C 1.222 176.707 175.510 -0.041 0.000 1.140 376 N CA 1.322 54.360 53.050 -0.020 0.000 0.936 376 N CB -0.623 37.859 38.487 -0.009 0.000 0.970 376 N HN 0.619 nan 8.380 nan 0.000 0.449 377 N N 0.264 118.940 118.700 -0.040 0.000 2.244 377 N HA 0.048 4.788 4.740 -0.000 0.000 0.189 377 N C 1.420 176.887 175.510 -0.071 0.000 1.047 377 N CA 1.062 54.081 53.050 -0.052 0.000 0.870 377 N CB 0.148 38.603 38.487 -0.053 0.000 1.041 377 N HN 0.034 nan 8.380 nan 0.000 0.448 378 I N 1.334 121.854 120.570 -0.083 0.000 4.215 378 I HA -0.535 3.635 4.170 -0.000 0.000 0.124 378 I C 2.319 178.388 176.117 -0.080 0.000 0.688 378 I CA 1.613 62.860 61.300 -0.088 0.000 0.823 378 I CB -1.046 36.830 38.000 -0.208 0.000 0.678 378 I HN 0.342 nan 8.210 nan 0.000 0.238 379 R N 0.827 121.186 120.500 -0.235 0.000 2.234 379 R HA -0.258 4.082 4.340 -0.000 0.000 0.241 379 R C 2.119 178.425 176.300 0.009 0.000 1.115 379 R CA 2.306 58.299 56.100 -0.178 0.000 0.913 379 R CB -1.880 28.299 30.300 -0.202 0.000 0.911 379 R HN 0.727 nan 8.270 nan 0.000 0.430 380 G N 1.322 110.117 108.800 -0.009 0.000 2.771 380 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.214 380 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.214 380 G C 1.476 176.409 174.900 0.055 0.000 1.331 380 G CA 1.503 46.616 45.100 0.022 0.000 0.812 380 G HN 0.186 nan 8.290 nan 0.000 0.628 381 M N -0.321 119.303 119.600 0.040 0.000 2.124 381 M HA -0.225 4.255 4.480 -0.000 0.000 0.253 381 M C 2.491 178.863 176.300 0.119 0.000 1.077 381 M CA 2.004 57.339 55.300 0.058 0.000 1.085 381 M CB -1.371 31.257 32.600 0.046 0.000 1.320 381 M HN 0.396 nan 8.290 nan 0.000 0.404 382 M N 0.629 120.333 119.600 0.174 0.000 2.082 382 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 382 M C 2.084 178.516 176.300 0.220 0.000 1.071 382 M CA 1.961 57.414 55.300 0.255 0.000 1.103 382 M CB -0.748 32.114 32.600 0.436 0.000 1.307 382 M HN 0.127 nan 8.290 nan 0.000 0.409 383 K N -0.238 120.288 120.400 0.210 0.000 2.144 383 K HA -0.284 4.036 4.320 -0.000 0.000 0.209 383 K C 1.983 178.687 176.600 0.173 0.000 1.047 383 K CA 2.380 58.775 56.287 0.181 0.000 0.927 383 K CB -0.369 32.217 32.500 0.143 0.000 0.716 383 K HN 0.583 nan 8.250 nan 0.000 0.454 384 E N 0.253 120.537 120.200 0.140 0.000 2.076 384 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 384 E C 2.218 178.939 176.600 0.202 0.000 0.979 384 E CA 0.655 57.135 56.400 0.133 0.000 0.807 384 E CB -0.083 29.645 29.700 0.047 0.000 0.761 384 E HN 0.270 nan 8.360 nan 0.000 0.454 385 L N 0.372 121.699 121.223 0.174 0.000 2.013 385 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 385 L C 2.447 179.500 176.870 0.306 0.000 1.073 385 L CA 1.131 56.102 54.840 0.218 0.000 0.753 385 L CB -0.602 41.596 42.059 0.232 0.000 0.890 385 L HN 0.257 nan 8.230 nan 0.000 0.432 386 L N -1.511 119.855 121.223 0.237 0.000 1.970 386 L HA -0.305 4.035 4.340 -0.000 0.000 0.212 386 L C 2.642 179.626 176.870 0.189 0.000 1.071 386 L CA 1.739 56.688 54.840 0.182 0.000 0.751 386 L CB -1.004 41.136 42.059 0.135 0.000 0.889 386 L HN 0.181 nan 8.230 nan 0.000 0.432 387 Y N 0.424 120.794 120.300 0.117 0.000 2.030 387 Y HA -0.427 4.123 4.550 -0.000 0.000 0.272 387 Y C 2.543 178.511 175.900 0.113 0.000 1.185 387 Y CA 2.069 60.227 58.100 0.095 0.000 1.120 387 Y CB -0.599 37.917 38.460 0.094 0.000 0.955 387 Y HN 0.087 nan 8.280 nan 0.000 0.495 388 F N 0.233 120.322 119.950 0.230 0.000 2.021 388 F HA -0.371 4.156 4.527 -0.000 0.000 0.297 388 F C 2.299 178.091 175.800 -0.013 0.000 1.152 388 F CA 2.153 60.223 58.000 0.117 0.000 1.201 388 F CB -1.351 37.704 39.000 0.092 0.000 0.951 388 F HN 0.207 nan 8.300 nan 0.000 0.504 389 L N 1.043 122.243 121.223 -0.038 0.000 2.058 389 L HA -0.376 3.964 4.340 -0.000 0.000 0.226 389 L C 2.253 178.977 176.870 -0.244 0.000 1.089 389 L CA 2.628 57.367 54.840 -0.168 0.000 0.799 389 L CB -1.123 40.967 42.059 0.050 0.000 0.900 389 L HN 0.340 nan 8.230 nan 0.000 0.442 390 D N -1.052 119.237 120.400 -0.186 0.000 2.133 390 D HA -0.204 4.436 4.640 -0.000 0.000 0.192 390 D C 2.188 178.331 176.300 -0.261 0.000 1.001 390 D CA 2.058 55.934 54.000 -0.207 0.000 0.844 390 D CB -0.266 40.404 40.800 -0.216 0.000 0.944 390 D HN 0.622 nan 8.370 nan 0.000 0.447 391 S N -0.252 115.247 115.700 -0.335 0.000 2.528 391 S HA 0.013 4.482 4.470 -0.000 0.000 0.219 391 S C 1.295 175.706 174.600 -0.315 0.000 0.985 391 S CA -0.401 57.622 58.200 -0.296 0.000 0.914 391 S CB -0.394 62.635 63.200 -0.285 0.000 0.776 391 S HN 0.171 nan 8.310 nan 0.000 0.526 392 C N 2.868 121.895 119.300 -0.455 0.000 2.893 392 C HA 0.138 4.598 4.460 -0.000 0.000 0.388 392 C C 1.016 175.820 174.990 -0.309 0.000 1.244 392 C CA -0.187 58.525 59.018 -0.510 0.000 1.923 392 C CB -0.391 26.976 27.740 -0.622 0.000 2.654 392 C HN 0.522 nan 8.230 nan 0.000 0.717 393 E N 1.533 121.576 120.200 -0.263 0.000 2.283 393 E HA 0.218 4.568 4.350 -0.000 0.000 0.271 393 E C -1.421 175.152 176.600 -0.045 0.000 1.031 393 E CA -1.880 54.442 56.400 -0.130 0.000 0.868 393 E CB 0.503 30.140 29.700 -0.106 0.000 1.094 393 E HN 0.339 nan 8.360 nan 0.000 0.401 394 P HA -0.294 nan 4.420 nan 0.000 0.212 394 P C 0.932 178.294 177.300 0.103 0.000 1.128 394 P CA 1.873 64.971 63.100 -0.003 0.000 0.961 394 P CB 0.194 31.990 31.700 0.160 0.000 0.782 395 E N -1.040 119.283 120.200 0.205 0.000 2.240 395 E HA -0.271 4.079 4.350 -0.000 0.000 0.236 395 E C 1.987 178.647 176.600 0.100 0.000 1.085 395 E CA 1.873 58.392 56.400 0.197 0.000 0.979 395 E CB -1.766 28.137 29.700 0.339 0.000 0.845 395 E HN 0.300 nan 8.360 nan 0.000 0.483 396 F N 1.569 121.516 119.950 -0.005 0.000 2.039 396 F HA -0.075 4.452 4.527 -0.000 0.000 0.294 396 F C 2.597 178.379 175.800 -0.029 0.000 1.130 396 F CA 1.223 59.225 58.000 0.004 0.000 1.189 396 F CB -0.920 38.080 39.000 -0.000 0.000 0.983 396 F HN -0.034 nan 8.300 nan 0.000 0.471 397 K N 0.398 120.823 120.400 0.042 0.000 2.037 397 K HA -0.376 3.944 4.320 -0.000 0.000 0.229 397 K C 2.180 178.772 176.600 -0.014 0.000 1.040 397 K CA 2.078 58.296 56.287 -0.114 0.000 0.981 397 K CB -1.118 31.098 32.500 -0.473 0.000 0.749 397 K HN 0.287 nan 8.250 nan 0.000 0.451 398 A N 2.145 124.984 122.820 0.031 0.000 1.873 398 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 398 A C 1.925 179.563 177.584 0.089 0.000 1.269 398 A CA 2.586 54.716 52.037 0.155 0.000 0.671 398 A CB -1.040 18.092 19.000 0.220 0.000 0.842 398 A HN 0.414 nan 8.150 nan 0.000 0.460 399 D N -0.824 119.609 120.400 0.055 0.000 2.133 399 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 399 D C 2.114 178.514 176.300 0.168 0.000 0.997 399 D CA 1.635 55.674 54.000 0.065 0.000 0.840 399 D CB -0.548 40.247 40.800 -0.008 0.000 0.947 399 D HN 0.479 nan 8.370 nan 0.000 0.452 400 C N 1.216 120.645 119.300 0.214 0.000 2.413 400 C HA -0.132 4.328 4.460 -0.000 0.000 0.276 400 C C 2.932 178.131 174.990 0.349 0.000 1.236 400 C CA 0.768 60.002 59.018 0.359 0.000 1.735 400 C CB -1.043 26.894 27.740 0.329 0.000 2.031 400 C HN 0.398 nan 8.230 nan 0.000 0.474 401 A N -0.021 122.940 122.820 0.235 0.000 1.863 401 A HA -0.333 3.987 4.320 -0.000 0.000 0.218 401 A C 2.290 180.017 177.584 0.237 0.000 1.233 401 A CA 2.818 55.007 52.037 0.254 0.000 0.655 401 A CB -1.599 17.480 19.000 0.130 0.000 0.839 401 A HN 0.546 nan 8.150 nan 0.000 0.454 402 S N -0.952 114.781 115.700 0.055 0.000 2.393 402 S HA -0.207 4.263 4.470 -0.000 0.000 0.234 402 S C 1.988 176.627 174.600 0.066 0.000 1.064 402 S CA 2.404 60.593 58.200 -0.018 0.000 1.088 402 S CB -1.079 62.114 63.200 -0.012 0.000 0.939 402 S HN 0.977 nan 8.310 nan 0.000 0.448 403 G N 1.620 110.491 108.800 0.118 0.000 2.552 403 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 403 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 403 G C 1.400 176.141 174.900 -0.265 0.000 1.240 403 G CA 1.134 46.087 45.100 -0.245 0.000 0.796 403 G HN 0.581 nan 8.290 nan 0.000 0.568 404 I N -0.088 120.566 120.570 0.140 0.000 2.068 404 I HA -0.270 3.900 4.170 -0.000 0.000 0.238 404 I C 2.560 178.732 176.117 0.091 0.000 1.046 404 I CA 1.589 62.973 61.300 0.141 0.000 1.306 404 I CB -0.645 37.479 38.000 0.207 0.000 1.023 404 I HN 0.067 nan 8.210 nan 0.000 0.399 405 F N 0.948 120.882 119.950 -0.028 0.000 2.050 405 F HA -0.352 4.175 4.527 -0.000 0.000 0.294 405 F C 2.483 178.264 175.800 -0.031 0.000 1.113 405 F CA 1.952 59.939 58.000 -0.022 0.000 1.225 405 F CB -1.107 37.898 39.000 0.008 0.000 0.953 405 F HN -0.010 nan 8.300 nan 0.000 0.501 406 L N -0.730 120.590 121.223 0.162 0.000 1.987 406 L HA -0.416 3.924 4.340 -0.000 0.000 0.230 406 L C 2.712 179.620 176.870 0.064 0.000 1.089 406 L CA 1.741 56.621 54.840 0.066 0.000 0.802 406 L CB -1.381 40.649 42.059 -0.049 0.000 0.905 406 L HN 0.330 nan 8.230 nan 0.000 0.441 407 A N -0.219 122.595 122.820 -0.010 0.000 1.883 407 A HA -0.402 3.918 4.320 -0.000 0.000 0.222 407 A C 2.447 180.121 177.584 0.151 0.000 1.339 407 A CA 3.236 55.310 52.037 0.062 0.000 0.692 407 A CB -1.355 17.672 19.000 0.044 0.000 0.845 407 A HN 0.582 nan 8.150 nan 0.000 0.467 408 A N -1.145 121.715 122.820 0.066 0.000 1.903 408 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 408 A C 1.880 179.442 177.584 -0.038 0.000 1.191 408 A CA 2.110 54.090 52.037 -0.095 0.000 0.638 408 A CB -0.695 17.878 19.000 -0.711 0.000 0.823 408 A HN 0.616 nan 8.150 nan 0.000 0.451 409 E N 0.265 120.513 120.200 0.080 0.000 2.130 409 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 409 E C 1.638 178.353 176.600 0.192 0.000 0.998 409 E CA 1.413 57.958 56.400 0.242 0.000 0.806 409 E CB -0.202 29.619 29.700 0.202 0.000 0.738 409 E HN 0.714 nan 8.360 nan 0.000 0.459 410 K N -0.048 120.456 120.400 0.173 0.000 3.502 410 K HA 0.104 4.424 4.320 -0.000 0.000 0.163 410 K C 0.208 176.888 176.600 0.133 0.000 1.142 410 K CA -0.325 56.032 56.287 0.116 0.000 1.539 410 K CB -0.500 32.097 32.500 0.162 0.000 2.125 410 K HN -0.075 nan 8.250 nan 0.000 0.491 411 Y N 0.996 121.320 120.300 0.041 0.000 2.804 411 Y HA 0.174 4.724 4.550 -0.000 0.000 0.338 411 Y C 0.111 176.028 175.900 0.029 0.000 1.252 411 Y CA -0.371 57.742 58.100 0.022 0.000 1.576 411 Y CB -0.260 38.205 38.460 0.007 0.000 1.223 411 Y HN 0.270 nan 8.280 nan 0.000 0.536 412 A N 5.261 128.165 122.820 0.139 0.000 2.565 412 A HA 0.561 4.881 4.320 -0.000 0.000 0.298 412 A C -2.158 175.448 177.584 0.037 0.000 1.062 412 A CA -1.166 50.936 52.037 0.109 0.000 0.723 412 A CB 1.069 20.261 19.000 0.320 0.000 1.282 412 A HN 0.447 nan 8.150 nan 0.000 0.400 413 P HA 0.159 nan 4.420 nan 0.000 0.199 413 P C 0.717 178.070 177.300 0.088 0.000 1.059 413 P CA 0.951 64.004 63.100 -0.077 0.000 0.723 413 P CB -0.164 31.370 31.700 -0.276 0.000 0.680 414 S N -1.277 114.512 115.700 0.149 0.000 2.646 414 S HA 0.281 4.751 4.470 -0.000 0.000 0.276 414 S C 1.008 175.796 174.600 0.313 0.000 1.222 414 S CA -0.577 57.749 58.200 0.210 0.000 1.014 414 S CB 1.658 64.975 63.200 0.194 0.000 0.991 414 S HN -0.061 nan 8.310 nan 0.000 0.533 415 K N 1.379 121.902 120.400 0.205 0.000 2.001 415 K HA -0.015 4.305 4.320 -0.000 0.000 0.208 415 K C 2.317 179.017 176.600 0.167 0.000 1.048 415 K CA 1.595 57.981 56.287 0.164 0.000 0.932 415 K CB -0.533 31.998 32.500 0.052 0.000 0.715 415 K HN 0.749 nan 8.250 nan 0.000 0.437 416 R N -0.253 120.341 120.500 0.157 0.000 2.159 416 R HA -0.272 4.068 4.340 -0.000 0.000 0.252 416 R C 2.068 178.449 176.300 0.135 0.000 1.144 416 R CA 2.237 58.417 56.100 0.133 0.000 0.961 416 R CB -0.722 29.770 30.300 0.320 0.000 0.877 416 R HN 0.440 nan 8.270 nan 0.000 0.444 417 W N 0.631 121.976 121.300 0.075 0.000 2.381 417 W HA -0.187 4.473 4.660 -0.000 0.000 0.321 417 W C 2.245 178.795 176.519 0.051 0.000 1.196 417 W CA 2.167 59.548 57.345 0.059 0.000 1.304 417 W CB -1.002 28.492 29.460 0.058 0.000 1.166 417 W HN 0.290 nan 8.180 nan 0.000 0.473 418 H N -0.180 118.916 119.070 0.043 0.000 2.275 418 H HA -0.353 4.203 4.556 -0.000 0.000 0.287 418 H C 2.262 177.352 175.328 -0.397 0.000 1.097 418 H CA 3.575 59.466 56.048 -0.262 0.000 1.169 418 H CB -0.596 29.189 29.762 0.037 0.000 1.349 418 H HN 0.199 nan 8.280 nan 0.000 0.501 419 I N 0.160 120.727 120.570 -0.005 0.000 2.044 419 I HA -0.390 3.780 4.170 -0.000 0.000 0.234 419 I C 2.456 178.436 176.117 -0.229 0.000 1.031 419 I CA 1.692 62.921 61.300 -0.117 0.000 1.305 419 I CB -0.625 37.294 38.000 -0.134 0.000 1.026 419 I HN 0.515 nan 8.210 nan 0.000 0.392 420 D N 0.630 120.874 120.400 -0.262 0.000 2.248 420 D HA -0.272 4.368 4.640 -0.000 0.000 0.189 420 D C 2.085 178.199 176.300 -0.310 0.000 1.011 420 D CA 2.902 56.743 54.000 -0.264 0.000 0.868 420 D CB -0.097 40.591 40.800 -0.187 0.000 0.931 420 D HN 0.535 nan 8.370 nan 0.000 0.449 421 T N -0.711 113.520 114.554 -0.538 0.000 2.639 421 T HA -0.093 4.257 4.350 -0.000 0.000 0.261 421 T C 2.450 176.909 174.700 -0.401 0.000 1.053 421 T CA 1.079 62.843 62.100 -0.559 0.000 1.158 421 T CB -0.833 67.427 68.868 -1.013 0.000 0.863 421 T HN 0.179 nan 8.240 nan 0.000 0.413 422 I N 1.600 121.902 120.570 -0.445 0.000 2.091 422 I HA -0.323 3.847 4.170 -0.000 0.000 0.240 422 I C 2.931 178.903 176.117 -0.241 0.000 1.046 422 I CA 2.330 63.379 61.300 -0.418 0.000 1.306 422 I CB -0.498 37.278 38.000 -0.374 0.000 1.018 422 I HN 0.315 nan 8.210 nan 0.000 0.404 423 M N -0.447 119.046 119.600 -0.178 0.000 2.226 423 M HA -0.325 4.155 4.480 -0.000 0.000 0.257 423 M C 2.401 178.652 176.300 -0.082 0.000 1.070 423 M CA 2.085 57.324 55.300 -0.101 0.000 1.087 423 M CB -0.877 31.665 32.600 -0.097 0.000 1.278 423 M HN 0.134 nan 8.290 nan 0.000 0.426 424 R N 0.662 121.099 120.500 -0.105 0.000 2.191 424 R HA -0.201 4.139 4.340 -0.000 0.000 0.248 424 R C 1.974 178.248 176.300 -0.043 0.000 1.127 424 R CA 2.435 58.492 56.100 -0.071 0.000 0.943 424 R CB -1.434 28.809 30.300 -0.095 0.000 0.891 424 R HN 0.371 nan 8.270 nan 0.000 0.439 425 V N 0.041 119.922 119.914 -0.055 0.000 2.255 425 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 425 V C 2.191 178.312 176.094 0.045 0.000 1.051 425 V CA 2.106 64.413 62.300 0.012 0.000 1.018 425 V CB -0.479 31.377 31.823 0.055 0.000 0.641 425 V HN 0.375 nan 8.190 nan 0.000 0.445 426 L N 0.137 121.388 121.223 0.046 0.000 1.976 426 L HA -0.270 4.070 4.340 -0.000 0.000 0.223 426 L C 2.633 179.527 176.870 0.040 0.000 1.081 426 L CA 3.184 58.063 54.840 0.064 0.000 0.784 426 L CB -2.306 39.777 42.059 0.041 0.000 0.896 426 L HN 0.456 nan 8.230 nan 0.000 0.438 427 T N -0.978 113.585 114.554 0.016 0.000 2.736 427 T HA -0.274 4.076 4.350 -0.000 0.000 0.265 427 T C 1.646 176.352 174.700 0.009 0.000 1.031 427 T CA 2.299 64.406 62.100 0.011 0.000 1.155 427 T CB -0.461 68.407 68.868 -0.001 0.000 0.849 427 T HN 0.440 nan 8.240 nan 0.000 0.471 428 T N -0.110 114.447 114.554 0.004 0.000 3.034 428 T HA 0.497 4.847 4.350 -0.000 0.000 0.248 428 T C 2.245 176.936 174.700 -0.015 0.000 1.040 428 T CA 0.472 62.562 62.100 -0.016 0.000 1.107 428 T CB 0.017 68.858 68.868 -0.046 0.000 0.932 428 T HN 0.442 nan 8.240 nan 0.000 0.474 429 A N 0.940 123.772 122.820 0.019 0.000 1.944 429 A HA 0.588 4.908 4.320 -0.000 0.000 0.207 429 A C 2.297 179.981 177.584 0.165 0.000 1.265 429 A CA 1.242 53.301 52.037 0.037 0.000 0.712 429 A CB -1.246 17.774 19.000 0.033 0.000 0.915 429 A HN 0.425 nan 8.150 nan 0.000 0.470 430 G N 0.460 109.340 108.800 0.133 0.000 3.310 430 G HA2 -0.546 3.414 3.960 -0.000 0.000 0.355 430 G HA3 -0.546 3.414 3.960 -0.000 0.000 0.355 430 G C 1.829 176.811 174.900 0.137 0.000 1.811 430 G CA 2.723 47.895 45.100 0.119 0.000 2.003 430 G HN 1.232 nan 8.290 nan 0.000 1.001 431 S N -0.688 115.100 115.700 0.147 0.000 2.462 431 S HA -0.198 4.272 4.470 -0.000 0.000 0.251 431 S C 1.976 176.589 174.600 0.022 0.000 1.018 431 S CA 2.478 60.730 58.200 0.087 0.000 0.988 431 S CB -0.317 62.948 63.200 0.109 0.000 0.766 431 S HN 0.619 nan 8.310 nan 0.000 0.504 432 Y N 0.249 120.548 120.300 -0.002 0.000 2.498 432 Y HA 0.378 4.928 4.550 -0.000 0.000 0.259 432 Y C 1.037 176.924 175.900 -0.023 0.000 1.086 432 Y CA -0.549 57.547 58.100 -0.007 0.000 1.287 432 Y CB -0.281 38.182 38.460 0.005 0.000 1.146 432 Y HN -0.001 nan 8.280 nan 0.000 0.523 433 V N 4.021 124.016 119.914 0.135 0.000 3.032 433 V HA -0.075 4.045 4.120 -0.000 0.000 0.307 433 V C 1.179 177.246 176.094 -0.044 0.000 1.097 433 V CA -0.741 61.570 62.300 0.019 0.000 1.191 433 V CB 0.096 31.943 31.823 0.040 0.000 0.964 433 V HN 0.327 nan 8.190 nan 0.000 0.494 434 R N 2.517 122.941 120.500 -0.126 0.000 3.357 434 R HA 0.037 4.377 4.340 -0.000 0.000 0.218 434 R C 0.684 176.936 176.300 -0.081 0.000 1.015 434 R CA 0.292 56.325 56.100 -0.111 0.000 1.122 434 R CB -0.066 30.142 30.300 -0.154 0.000 0.804 434 R HN 0.714 nan 8.270 nan 0.000 0.466 435 D N -0.392 119.966 120.400 -0.070 0.000 2.338 435 D HA -0.094 4.546 4.640 -0.000 0.000 0.224 435 D C 1.396 177.675 176.300 -0.035 0.000 0.967 435 D CA 1.035 55.007 54.000 -0.048 0.000 0.896 435 D CB -0.168 40.607 40.800 -0.041 0.000 1.028 435 D HN 0.615 nan 8.370 nan 0.000 0.493 436 D N 1.128 121.506 120.400 -0.036 0.000 2.354 436 D HA -0.144 4.496 4.640 -0.000 0.000 0.216 436 D C 1.684 177.999 176.300 0.025 0.000 0.970 436 D CA 0.721 54.715 54.000 -0.010 0.000 0.905 436 D CB 0.005 40.800 40.800 -0.007 0.000 0.903 436 D HN 0.103 nan 8.370 nan 0.000 0.508 437 A N 1.755 124.596 122.820 0.034 0.000 1.848 437 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 437 A C 2.646 180.283 177.584 0.088 0.000 1.220 437 A CA 2.640 54.757 52.037 0.134 0.000 0.645 437 A CB -1.220 17.872 19.000 0.154 0.000 0.842 437 A HN 0.173 nan 8.150 nan 0.000 0.451 438 V N 0.758 120.689 119.914 0.029 0.000 2.243 438 V HA -0.330 3.790 4.120 -0.000 0.000 0.258 438 V C 0.165 176.255 176.094 -0.005 0.000 1.073 438 V CA 3.088 65.378 62.300 -0.017 0.000 1.069 438 V CB -2.137 29.642 31.823 -0.074 0.000 0.681 438 V HN 0.469 nan 8.190 nan 0.000 0.457 439 P HA -0.120 nan 4.420 nan 0.000 0.215 439 P C 1.598 178.911 177.300 0.022 0.000 1.157 439 P CA 1.645 64.739 63.100 -0.009 0.000 0.863 439 P CB -0.212 31.481 31.700 -0.013 0.000 0.787 440 N N 0.243 118.973 118.700 0.050 0.000 2.048 440 N HA -0.231 4.509 4.740 -0.000 0.000 0.197 440 N C 1.729 177.271 175.510 0.054 0.000 1.048 440 N CA 1.847 54.944 53.050 0.077 0.000 0.887 440 N CB -1.219 37.365 38.487 0.162 0.000 1.081 440 N HN -0.007 nan 8.380 nan 0.000 0.512 441 L N 0.174 121.435 121.223 0.063 0.000 2.034 441 L HA -0.254 4.086 4.340 -0.000 0.000 0.217 441 L C 2.454 179.348 176.870 0.041 0.000 1.077 441 L CA 1.548 56.404 54.840 0.027 0.000 0.769 441 L CB -0.395 41.681 42.059 0.029 0.000 0.890 441 L HN 0.255 nan 8.230 nan 0.000 0.435 442 I N 0.019 120.628 120.570 0.065 0.000 2.127 442 I HA -0.384 3.786 4.170 -0.000 0.000 0.241 442 I C 2.638 178.817 176.117 0.104 0.000 1.075 442 I CA 1.849 63.218 61.300 0.115 0.000 1.334 442 I CB -0.779 37.275 38.000 0.089 0.000 1.040 442 I HN 0.452 nan 8.210 nan 0.000 0.405 443 Q N -0.049 119.788 119.800 0.061 0.000 2.173 443 Q HA -0.288 4.052 4.340 -0.000 0.000 0.208 443 Q C 2.293 178.318 176.000 0.041 0.000 0.989 443 Q CA 2.031 57.865 55.803 0.053 0.000 0.872 443 Q CB -0.282 28.474 28.738 0.030 0.000 0.909 443 Q HN 0.454 nan 8.270 nan 0.000 0.420 444 L N 0.403 121.629 121.223 0.004 0.000 1.994 444 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 444 L C 2.091 178.962 176.870 0.000 0.000 1.071 444 L CA 1.595 56.402 54.840 -0.054 0.000 0.745 444 L CB -0.456 41.507 42.059 -0.160 0.000 0.892 444 L HN 0.322 nan 8.230 nan 0.000 0.431 445 I N -1.007 119.597 120.570 0.057 0.000 2.069 445 I HA -0.402 3.768 4.170 -0.000 0.000 0.237 445 I C 2.558 178.809 176.117 0.223 0.000 1.053 445 I CA 2.140 63.521 61.300 0.134 0.000 1.311 445 I CB -0.745 37.387 38.000 0.221 0.000 1.030 445 I HN 0.466 nan 8.210 nan 0.000 0.398 446 T N 0.757 115.479 114.554 0.281 0.000 2.570 446 T HA -0.293 4.057 4.350 -0.000 0.000 0.266 446 T C 1.889 176.740 174.700 0.251 0.000 1.071 446 T CA 2.439 64.747 62.100 0.346 0.000 1.172 446 T CB -0.371 68.641 68.868 0.240 0.000 0.864 446 T HN 0.267 nan 8.240 nan 0.000 0.421 447 N N 1.147 119.927 118.700 0.134 0.000 2.049 447 N HA -0.071 4.669 4.740 -0.000 0.000 0.198 447 N C 0.612 176.150 175.510 0.047 0.000 1.030 447 N CA 1.175 54.272 53.050 0.078 0.000 0.870 447 N CB -0.701 37.808 38.487 0.036 0.000 1.045 447 N HN 0.363 nan 8.380 nan 0.000 0.434 448 S N 0.558 116.257 115.700 -0.002 0.000 2.399 448 S HA 0.216 4.686 4.470 -0.000 0.000 0.301 448 S C 1.225 175.685 174.600 -0.232 0.000 1.093 448 S CA -0.498 57.661 58.200 -0.068 0.000 1.077 448 S CB 1.363 64.525 63.200 -0.063 0.000 0.980 448 S HN 0.026 nan 8.310 nan 0.000 0.494 449 V N 3.224 123.016 119.914 -0.204 0.000 3.541 449 V HA -0.027 4.093 4.120 -0.000 0.000 0.272 449 V C 1.207 177.008 176.094 -0.488 0.000 1.215 449 V CA 0.956 63.044 62.300 -0.354 0.000 1.176 449 V CB -1.207 30.668 31.823 0.086 0.000 0.854 449 V HN 0.584 nan 8.190 nan 0.000 0.496 450 E N -0.083 119.893 120.200 -0.374 0.000 2.083 450 E HA 0.115 4.465 4.350 -0.000 0.000 0.193 450 E C 1.706 178.207 176.600 -0.166 0.000 0.950 450 E CA 0.408 56.696 56.400 -0.187 0.000 0.849 450 E CB -0.458 29.198 29.700 -0.072 0.000 0.827 450 E HN 0.354 nan 8.360 nan 0.000 0.465 451 M N 1.601 121.126 119.600 -0.124 0.000 2.706 451 M HA -0.084 4.396 4.480 -0.000 0.000 0.253 451 M C 1.110 177.422 176.300 0.021 0.000 1.063 451 M CA 0.832 56.142 55.300 0.017 0.000 1.067 451 M CB -0.801 31.823 32.600 0.040 0.000 1.423 451 M HN 0.145 nan 8.290 nan 0.000 0.530 452 H N 0.318 119.365 119.070 -0.038 0.000 2.297 452 H HA -0.245 4.311 4.556 -0.000 0.000 0.289 452 H C 2.079 177.352 175.328 -0.091 0.000 1.105 452 H CA 2.069 58.017 56.048 -0.166 0.000 1.219 452 H CB -0.895 28.573 29.762 -0.491 0.000 1.351 452 H HN 0.484 nan 8.280 nan 0.000 0.481 453 A N 0.679 123.540 122.820 0.069 0.000 1.830 453 A HA -0.249 4.071 4.320 -0.000 0.000 0.214 453 A C 2.262 179.944 177.584 0.165 0.000 1.218 453 A CA 1.584 53.664 52.037 0.071 0.000 0.628 453 A CB -1.704 17.322 19.000 0.044 0.000 0.860 453 A HN 0.620 nan 8.150 nan 0.000 0.454 454 Y N 0.894 121.207 120.300 0.020 0.000 2.248 454 Y HA -0.387 4.163 4.550 -0.000 0.000 0.274 454 Y C 2.463 178.397 175.900 0.058 0.000 1.277 454 Y CA 1.970 60.091 58.100 0.034 0.000 1.140 454 Y CB -0.429 38.047 38.460 0.027 0.000 0.934 454 Y HN 0.445 nan 8.280 nan 0.000 0.529 455 T N -0.059 114.582 114.554 0.145 0.000 2.623 455 T HA -0.174 4.176 4.350 -0.000 0.000 0.254 455 T C 1.827 176.605 174.700 0.130 0.000 1.075 455 T CA 1.891 64.024 62.100 0.054 0.000 1.177 455 T CB -1.010 67.911 68.868 0.089 0.000 0.869 455 T HN 0.254 nan 8.240 nan 0.000 0.403 456 V N 2.533 122.551 119.914 0.174 0.000 2.313 456 V HA -0.290 3.830 4.120 -0.000 0.000 0.253 456 V C 2.657 178.862 176.094 0.186 0.000 1.070 456 V CA 1.653 64.062 62.300 0.182 0.000 1.057 456 V CB -1.122 30.806 31.823 0.175 0.000 0.653 456 V HN 0.431 nan 8.190 nan 0.000 0.450 457 Q N 0.510 120.410 119.800 0.167 0.000 1.800 457 Q HA -0.242 4.098 4.340 -0.000 0.000 0.289 457 Q C 2.389 178.522 176.000 0.222 0.000 1.015 457 Q CA 1.997 57.903 55.803 0.172 0.000 0.890 457 Q CB -0.637 28.217 28.738 0.194 0.000 0.958 457 Q HN 0.570 nan 8.270 nan 0.000 0.416 458 R N 0.381 121.012 120.500 0.219 0.000 2.134 458 R HA -0.189 4.151 4.340 -0.000 0.000 0.248 458 R C 2.587 178.977 176.300 0.150 0.000 1.143 458 R CA 1.430 57.637 56.100 0.178 0.000 0.957 458 R CB -0.777 29.594 30.300 0.118 0.000 0.867 458 R HN 0.293 nan 8.270 nan 0.000 0.441 459 L N -0.645 120.657 121.223 0.132 0.000 1.978 459 L HA -0.324 4.016 4.340 -0.000 0.000 0.218 459 L C 2.409 179.372 176.870 0.155 0.000 1.075 459 L CA 1.993 56.905 54.840 0.119 0.000 0.767 459 L CB -0.763 41.373 42.059 0.128 0.000 0.890 459 L HN 0.229 nan 8.230 nan 0.000 0.434 460 Y N 0.811 121.157 120.300 0.077 0.000 1.979 460 Y HA -0.412 4.138 4.550 -0.000 0.000 0.262 460 Y C 2.690 178.635 175.900 0.076 0.000 1.142 460 Y CA 2.169 60.316 58.100 0.078 0.000 1.096 460 Y CB -0.314 38.196 38.460 0.083 0.000 0.958 460 Y HN 0.001 nan 8.280 nan 0.000 0.484 461 K N -0.065 120.525 120.400 0.317 0.000 2.044 461 K HA -0.385 3.935 4.320 -0.000 0.000 0.224 461 K C 2.270 178.900 176.600 0.049 0.000 1.056 461 K CA 1.992 58.386 56.287 0.178 0.000 0.962 461 K CB -0.900 31.707 32.500 0.178 0.000 0.730 461 K HN 0.521 nan 8.250 nan 0.000 0.453 462 A N 1.382 124.238 122.820 0.060 0.000 1.881 462 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 462 A C 2.218 179.811 177.584 0.016 0.000 1.215 462 A CA 2.355 54.414 52.037 0.036 0.000 0.648 462 A CB -0.994 18.029 19.000 0.038 0.000 0.832 462 A HN 0.350 nan 8.150 nan 0.000 0.455 463 I N -0.224 120.342 120.570 -0.007 0.000 2.335 463 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 463 I C 2.249 178.371 176.117 0.009 0.000 1.129 463 I CA 0.608 61.904 61.300 -0.006 0.000 1.402 463 I CB -0.459 37.507 38.000 -0.058 0.000 1.069 463 I HN 0.255 nan 8.210 nan 0.000 0.424 464 L N 0.868 122.021 121.223 -0.116 0.000 1.989 464 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 464 L C 2.606 179.452 176.870 -0.039 0.000 1.071 464 L CA 2.538 57.306 54.840 -0.119 0.000 0.749 464 L CB -1.859 40.095 42.059 -0.174 0.000 0.890 464 L HN 0.373 nan 8.230 nan 0.000 0.431 465 G N -1.042 107.742 108.800 -0.026 0.000 2.424 465 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.214 465 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.214 465 G C 0.651 175.530 174.900 -0.035 0.000 1.202 465 G CA -0.005 45.071 45.100 -0.041 0.000 0.793 465 G HN 0.295 nan 8.290 nan 0.000 0.534 466 D N -1.619 118.806 120.400 0.042 0.000 2.360 466 D HA 0.325 4.965 4.640 -0.000 0.000 0.242 466 D C 0.029 176.536 176.300 0.344 0.000 1.184 466 D CA 0.179 54.243 54.000 0.106 0.000 0.930 466 D CB 1.342 42.189 40.800 0.079 0.000 1.161 466 D HN 0.126 nan 8.370 nan 0.000 0.447 467 Y N -1.228 119.059 120.300 -0.022 0.000 2.510 467 Y HA -0.067 4.483 4.550 -0.000 0.000 0.285 467 Y C 0.617 176.509 175.900 -0.014 0.000 1.089 467 Y CA -0.224 57.864 58.100 -0.020 0.000 1.007 467 Y CB -0.353 38.097 38.460 -0.017 0.000 1.372 467 Y HN 0.250 nan 8.280 nan 0.000 0.563 468 S N 2.627 118.430 115.700 0.171 0.000 2.509 468 S HA 0.442 4.912 4.470 -0.000 0.000 0.287 468 S C -0.252 174.384 174.600 0.059 0.000 1.248 468 S CA 0.084 58.338 58.200 0.089 0.000 1.089 468 S CB 1.206 64.446 63.200 0.067 0.000 0.900 468 S HN 0.334 nan 8.310 nan 0.000 0.496 469 Q N 0.655 120.476 119.800 0.035 0.000 3.168 469 Q HA 0.053 4.393 4.340 -0.000 0.000 0.172 469 Q C -0.802 175.191 176.000 -0.012 0.000 0.994 469 Q CA -0.149 55.666 55.803 0.020 0.000 1.054 469 Q CB -0.230 28.521 28.738 0.023 0.000 2.158 469 Q HN 0.670 nan 8.270 nan 0.000 0.603 470 Q N 0.753 120.540 119.800 -0.022 0.000 2.435 470 Q HA 0.325 4.665 4.340 -0.000 0.000 0.180 470 Q C -1.440 174.514 176.000 -0.076 0.000 0.699 470 Q CA 0.902 56.671 55.803 -0.057 0.000 0.805 470 Q CB -0.952 27.753 28.738 -0.056 0.000 1.157 470 Q HN 0.431 nan 8.270 nan 0.000 0.570 471 P HA -0.236 nan 4.420 nan 0.000 0.222 471 P C 1.655 178.916 177.300 -0.064 0.000 1.159 471 P CA 1.383 64.441 63.100 -0.069 0.000 0.920 471 P CB -0.124 31.567 31.700 -0.014 0.000 0.793 472 L N 0.120 121.326 121.223 -0.028 0.000 1.933 472 L HA -0.193 4.147 4.340 -0.000 0.000 0.220 472 L C 2.318 179.166 176.870 -0.036 0.000 1.078 472 L CA 2.240 57.070 54.840 -0.017 0.000 0.773 472 L CB -1.700 40.359 42.059 0.000 0.000 0.890 472 L HN -0.030 nan 8.230 nan 0.000 0.434 473 V N -1.634 118.249 119.914 -0.052 0.000 2.226 473 V HA -0.462 3.658 4.120 -0.000 0.000 0.254 473 V C 2.272 178.316 176.094 -0.082 0.000 1.065 473 V CA 2.489 64.745 62.300 -0.073 0.000 1.039 473 V CB -1.565 30.188 31.823 -0.116 0.000 0.653 473 V HN 0.754 nan 8.190 nan 0.000 0.450 474 Q N 0.026 119.730 119.800 -0.161 0.000 1.914 474 Q HA -0.246 4.094 4.340 -0.000 0.000 0.222 474 Q C 2.377 178.295 176.000 -0.135 0.000 1.031 474 Q CA 3.300 58.920 55.803 -0.305 0.000 0.886 474 Q CB -0.823 27.587 28.738 -0.547 0.000 0.982 474 Q HN 0.627 nan 8.270 nan 0.000 0.417 475 V N 1.000 120.857 119.914 -0.095 0.000 2.257 475 V HA -0.418 3.702 4.120 -0.000 0.000 0.257 475 V C 2.187 178.389 176.094 0.180 0.000 1.077 475 V CA 2.200 64.541 62.300 0.069 0.000 1.063 475 V CB -1.397 30.454 31.823 0.047 0.000 0.664 475 V HN 0.598 nan 8.190 nan 0.000 0.450 476 A N -0.121 122.760 122.820 0.101 0.000 1.836 476 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 476 A C 2.510 180.183 177.584 0.147 0.000 1.214 476 A CA 3.061 55.166 52.037 0.113 0.000 0.636 476 A CB -1.446 17.594 19.000 0.066 0.000 0.847 476 A HN 0.860 nan 8.150 nan 0.000 0.451 477 A N -1.386 121.508 122.820 0.123 0.000 1.984 477 A HA -0.323 3.997 4.320 -0.000 0.000 0.224 477 A C 2.049 179.778 177.584 0.241 0.000 1.256 477 A CA 2.120 54.247 52.037 0.151 0.000 0.679 477 A CB -1.516 17.570 19.000 0.144 0.000 0.829 477 A HN 0.902 nan 8.150 nan 0.000 0.483 478 W N 0.248 121.606 121.300 0.097 0.000 2.194 478 W HA -0.352 4.308 4.660 -0.000 0.000 0.323 478 W C 2.464 178.979 176.519 -0.006 0.000 1.222 478 W CA 2.075 59.483 57.345 0.105 0.000 1.136 478 W CB -0.839 28.691 29.460 0.116 0.000 1.162 478 W HN 0.486 nan 8.180 nan 0.000 0.466 479 C N 1.156 120.240 119.300 -0.360 0.000 2.363 479 C HA -0.296 4.164 4.460 -0.000 0.000 0.274 479 C C 2.587 177.399 174.990 -0.296 0.000 1.183 479 C CA 1.483 60.173 59.018 -0.546 0.000 1.771 479 C CB -1.788 25.904 27.740 -0.081 0.000 2.059 479 C HN 0.480 nan 8.230 nan 0.000 0.455 480 I N 1.501 122.038 120.570 -0.055 0.000 2.121 480 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 480 I C 2.663 178.750 176.117 -0.050 0.000 1.047 480 I CA 2.095 63.419 61.300 0.040 0.000 1.308 480 I CB -1.319 36.749 38.000 0.113 0.000 1.015 480 I HN 0.540 nan 8.210 nan 0.000 0.410 481 G N 0.493 109.199 108.800 -0.156 0.000 2.808 481 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.211 481 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.211 481 G C 1.335 176.014 174.900 -0.367 0.000 1.364 481 G CA 0.616 45.584 45.100 -0.220 0.000 0.824 481 G HN 0.322 nan 8.290 nan 0.000 0.630 482 E N 0.025 119.765 120.200 -0.766 0.000 2.253 482 E HA -0.167 4.183 4.350 -0.000 0.000 0.202 482 E C 1.819 178.222 176.600 -0.328 0.000 1.014 482 E CA 1.192 57.161 56.400 -0.719 0.000 0.823 482 E CB -0.271 28.680 29.700 -1.248 0.000 0.736 482 E HN 0.800 nan 8.360 nan 0.000 0.478 483 Y N -1.074 119.023 120.300 -0.338 0.000 2.481 483 Y HA 0.185 4.735 4.550 -0.000 0.000 0.247 483 Y C 2.213 177.983 175.900 -0.217 0.000 1.151 483 Y CA -0.346 57.605 58.100 -0.249 0.000 1.238 483 Y CB 0.588 38.933 38.460 -0.192 0.000 1.179 483 Y HN 0.051 nan 8.280 nan 0.000 0.524 484 G N 1.057 109.802 108.800 -0.092 0.000 2.596 484 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.223 484 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.223 484 G C 1.183 175.820 174.900 -0.439 0.000 1.120 484 G CA 1.684 46.641 45.100 -0.239 0.000 0.752 484 G HN 0.310 nan 8.290 nan 0.000 0.596 485 D N 0.827 120.981 120.400 -0.409 0.000 2.286 485 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 485 D C 2.674 178.846 176.300 -0.213 0.000 1.015 485 D CA 1.476 55.277 54.000 -0.332 0.000 0.871 485 D CB -0.732 39.939 40.800 -0.215 0.000 1.044 485 D HN 0.345 nan 8.370 nan 0.000 0.459 486 L N 0.322 121.445 121.223 -0.166 0.000 2.129 486 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 486 L C 2.585 179.412 176.870 -0.073 0.000 1.087 486 L CA 0.373 55.138 54.840 -0.125 0.000 0.757 486 L CB -0.504 41.449 42.059 -0.176 0.000 0.896 486 L HN 0.043 nan 8.230 nan 0.000 0.434 487 L N -0.071 121.118 121.223 -0.057 0.000 2.353 487 L HA -0.041 4.299 4.340 -0.000 0.000 0.220 487 L C 0.906 177.769 176.870 -0.012 0.000 1.133 487 L CA 0.940 55.772 54.840 -0.014 0.000 0.798 487 L CB -0.054 42.028 42.059 0.039 0.000 0.922 487 L HN -0.056 nan 8.230 nan 0.000 0.445 488 V N 0.904 120.814 119.914 -0.007 0.000 2.313 488 V HA 0.097 4.217 4.120 -0.000 0.000 0.252 488 V C 1.131 177.224 176.094 -0.003 0.000 1.112 488 V CA -0.179 62.139 62.300 0.028 0.000 0.984 488 V CB -0.531 31.328 31.823 0.060 0.000 1.157 488 V HN 0.423 nan 8.190 nan 0.000 0.493 489 S N 3.808 119.500 115.700 -0.013 0.000 3.256 489 S HA -0.174 4.296 4.470 -0.000 0.000 0.262 489 S C 1.192 175.783 174.600 -0.016 0.000 0.668 489 S CA 0.639 58.829 58.200 -0.017 0.000 1.336 489 S CB -0.714 62.479 63.200 -0.012 0.000 0.792 489 S HN 1.103 nan 8.310 nan 0.000 0.383 490 G N 0.620 109.407 108.800 -0.022 0.000 2.599 490 G HA2 0.410 4.370 3.960 -0.000 0.000 0.264 490 G HA3 0.410 4.370 3.960 -0.000 0.000 0.264 490 G C -0.017 174.870 174.900 -0.022 0.000 1.200 490 G CA -1.009 44.075 45.100 -0.025 0.000 0.896 490 G HN 0.531 nan 8.290 nan 0.000 0.536 491 Q N -0.439 119.349 119.800 -0.021 0.000 2.903 491 Q HA 0.175 4.515 4.340 -0.000 0.000 0.243 491 Q C 0.221 176.209 176.000 -0.020 0.000 1.366 491 Q CA -0.230 55.562 55.803 -0.018 0.000 0.898 491 Q CB -0.191 28.537 28.738 -0.017 0.000 1.718 491 Q HN 0.397 nan 8.270 nan 0.000 0.557 492 C N 2.195 121.482 119.300 -0.021 0.000 2.394 492 C HA 0.257 4.717 4.460 -0.000 0.000 0.362 492 C C 0.458 175.432 174.990 -0.026 0.000 1.268 492 C CA -0.470 58.536 59.018 -0.021 0.000 1.828 492 C CB -0.252 27.477 27.740 -0.018 0.000 2.442 492 C HN 0.810 nan 8.230 nan 0.000 0.549 493 E N 3.128 123.315 120.200 -0.021 0.000 2.280 493 E HA 0.293 4.643 4.350 -0.000 0.000 0.264 493 E C 0.547 177.127 176.600 -0.033 0.000 1.064 493 E CA -0.054 56.331 56.400 -0.025 0.000 0.900 493 E CB 0.709 30.400 29.700 -0.014 0.000 1.123 493 E HN 0.807 nan 8.360 nan 0.000 0.418 494 E N 0.007 120.181 120.200 -0.043 0.000 4.459 494 E HA -0.188 4.162 4.350 -0.000 0.000 0.312 494 E C -0.894 175.615 176.600 -0.152 0.000 0.670 494 E CA 1.869 58.233 56.400 -0.061 0.000 1.781 494 E CB -0.741 28.953 29.700 -0.010 0.000 1.823 494 E HN 0.644 nan 8.360 nan 0.000 0.453 495 E N -1.588 118.521 120.200 -0.152 0.000 2.310 495 E HA 0.179 4.529 4.350 -0.000 0.000 0.264 495 E C -1.656 174.873 176.600 -0.119 0.000 1.309 495 E CA -0.091 56.201 56.400 -0.180 0.000 0.900 495 E CB 0.391 29.884 29.700 -0.345 0.000 1.496 495 E HN 0.113 nan 8.360 nan 0.000 0.433 496 E N 1.558 121.693 120.200 -0.108 0.000 2.003 496 E HA 0.312 4.662 4.350 -0.000 0.000 0.279 496 E C -2.368 174.207 176.600 -0.041 0.000 1.132 496 E CA -1.425 54.938 56.400 -0.061 0.000 0.888 496 E CB 0.099 29.771 29.700 -0.048 0.000 1.056 496 E HN 0.057 nan 8.360 nan 0.000 0.399 497 P HA 0.136 nan 4.420 nan 0.000 0.280 497 P C -0.348 176.944 177.300 -0.014 0.000 1.278 497 P CA -0.229 62.861 63.100 -0.018 0.000 0.787 497 P CB 0.708 32.396 31.700 -0.020 0.000 1.163 498 I N -2.578 117.980 120.570 -0.021 0.000 3.550 498 I HA 0.198 4.368 4.170 -0.000 0.000 0.307 498 I C -0.390 175.703 176.117 -0.040 0.000 1.178 498 I CA -1.173 60.115 61.300 -0.020 0.000 1.001 498 I CB 1.163 39.161 38.000 -0.003 0.000 1.360 498 I HN 0.193 nan 8.210 nan 0.000 0.477 499 Q N 1.754 121.533 119.800 -0.036 0.000 2.307 499 Q HA 0.231 4.571 4.340 -0.000 0.000 0.261 499 Q C -0.544 175.401 176.000 -0.091 0.000 1.051 499 Q CA 0.046 55.826 55.803 -0.039 0.000 0.911 499 Q CB 1.357 30.090 28.738 -0.008 0.000 1.227 499 Q HN 0.307 nan 8.270 nan 0.000 0.418 500 V N 4.130 123.996 119.914 -0.080 0.000 2.225 500 V HA 0.175 4.295 4.120 -0.000 0.000 0.264 500 V C -0.247 175.830 176.094 -0.028 0.000 1.067 500 V CA -0.397 61.842 62.300 -0.101 0.000 0.903 500 V CB 0.850 32.629 31.823 -0.074 0.000 1.136 500 V HN 0.849 nan 8.190 nan 0.000 0.456 501 T N 0.504 115.043 114.554 -0.026 0.000 2.794 501 T HA 0.259 4.609 4.350 -0.000 0.000 0.296 501 T C 1.005 175.676 174.700 -0.050 0.000 0.949 501 T CA 0.182 62.270 62.100 -0.019 0.000 1.101 501 T CB 1.367 70.231 68.868 -0.007 0.000 0.905 501 T HN 0.711 nan 8.240 nan 0.000 0.516 502 E N 2.192 122.324 120.200 -0.113 0.000 2.097 502 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 502 E C 1.358 177.831 176.600 -0.212 0.000 1.000 502 E CA 1.781 57.994 56.400 -0.312 0.000 0.804 502 E CB 0.007 29.403 29.700 -0.506 0.000 0.740 502 E HN 0.780 nan 8.360 nan 0.000 0.454 503 D N 0.187 120.513 120.400 -0.122 0.000 2.133 503 D HA -0.205 4.435 4.640 -0.000 0.000 0.195 503 D C 1.787 178.076 176.300 -0.019 0.000 0.997 503 D CA 1.281 55.240 54.000 -0.069 0.000 0.840 503 D CB -0.116 40.661 40.800 -0.038 0.000 0.947 503 D HN 0.365 nan 8.370 nan 0.000 0.452 504 E N 0.285 120.496 120.200 0.019 0.000 2.031 504 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 504 E C 2.441 179.138 176.600 0.163 0.000 0.994 504 E CA 0.603 57.066 56.400 0.105 0.000 0.800 504 E CB 0.042 29.834 29.700 0.155 0.000 0.752 504 E HN 0.027 nan 8.360 nan 0.000 0.447 505 V N 2.042 122.048 119.914 0.153 0.000 2.277 505 V HA -0.345 3.775 4.120 -0.000 0.000 0.253 505 V C 2.328 178.492 176.094 0.115 0.000 1.067 505 V CA 1.812 64.240 62.300 0.214 0.000 1.047 505 V CB -0.783 31.096 31.823 0.093 0.000 0.649 505 V HN 0.273 nan 8.190 nan 0.000 0.447 506 L N -0.512 120.721 121.223 0.016 0.000 1.948 506 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 506 L C 2.458 179.346 176.870 0.030 0.000 1.074 506 L CA 2.018 56.858 54.840 0.001 0.000 0.753 506 L CB -1.326 40.706 42.059 -0.044 0.000 0.888 506 L HN 0.304 nan 8.230 nan 0.000 0.432 507 D N 0.454 120.874 120.400 0.033 0.000 2.558 507 D HA -0.271 4.369 4.640 -0.000 0.000 0.190 507 D C 1.955 178.290 176.300 0.059 0.000 1.047 507 D CA 2.127 56.153 54.000 0.044 0.000 0.880 507 D CB -0.292 40.537 40.800 0.049 0.000 0.926 507 D HN 0.239 nan 8.370 nan 0.000 0.465 508 I N 1.094 121.698 120.570 0.058 0.000 2.060 508 I HA -0.240 3.930 4.170 -0.000 0.000 0.233 508 I C 2.725 178.859 176.117 0.029 0.000 1.054 508 I CA 0.829 62.157 61.300 0.047 0.000 1.318 508 I CB -0.890 37.089 38.000 -0.034 0.000 1.054 508 I HN 0.028 nan 8.210 nan 0.000 0.395 509 L N -0.013 121.221 121.223 0.018 0.000 2.030 509 L HA -0.345 3.995 4.340 -0.000 0.000 0.222 509 L C 2.508 179.377 176.870 -0.002 0.000 1.082 509 L CA 1.933 56.772 54.840 -0.001 0.000 0.785 509 L CB -1.216 40.853 42.059 0.016 0.000 0.895 509 L HN 0.407 nan 8.230 nan 0.000 0.439 510 E N 0.185 120.400 120.200 0.026 0.000 2.045 510 E HA -0.259 4.091 4.350 -0.000 0.000 0.212 510 E C 2.215 178.852 176.600 0.062 0.000 1.039 510 E CA 1.954 58.384 56.400 0.050 0.000 0.860 510 E CB -0.268 29.465 29.700 0.054 0.000 0.776 510 E HN 0.394 nan 8.360 nan 0.000 0.467 511 S N 0.500 116.250 115.700 0.083 0.000 2.389 511 S HA -0.213 4.257 4.470 -0.000 0.000 0.231 511 S C 2.214 176.852 174.600 0.064 0.000 1.052 511 S CA 1.418 59.698 58.200 0.134 0.000 1.053 511 S CB -0.501 62.858 63.200 0.266 0.000 0.886 511 S HN 0.099 nan 8.310 nan 0.000 0.456 512 V N 1.730 121.597 119.914 -0.079 0.000 2.231 512 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 512 V C 2.246 178.282 176.094 -0.096 0.000 1.058 512 V CA 2.008 64.171 62.300 -0.229 0.000 1.022 512 V CB -0.923 30.775 31.823 -0.209 0.000 0.640 512 V HN 0.327 nan 8.190 nan 0.000 0.445 513 L N -0.745 120.457 121.223 -0.034 0.000 2.012 513 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 513 L C 2.189 179.117 176.870 0.098 0.000 1.073 513 L CA 1.968 56.815 54.840 0.012 0.000 0.748 513 L CB -0.778 41.287 42.059 0.010 0.000 0.891 513 L HN 0.250 nan 8.230 nan 0.000 0.431 514 I N -0.932 119.710 120.570 0.120 0.000 2.090 514 I HA -0.232 3.938 4.170 -0.000 0.000 0.236 514 I C 1.485 177.658 176.117 0.094 0.000 1.064 514 I CA 0.798 62.169 61.300 0.119 0.000 1.324 514 I CB -0.683 37.379 38.000 0.103 0.000 1.044 514 I HN 0.332 nan 8.210 nan 0.000 0.399 515 S N 2.460 118.224 115.700 0.106 0.000 2.573 515 S HA -0.146 4.324 4.470 -0.000 0.000 0.297 515 S C 0.182 174.830 174.600 0.080 0.000 1.280 515 S CA -0.361 57.911 58.200 0.120 0.000 1.061 515 S CB 0.059 63.401 63.200 0.236 0.000 0.812 515 S HN 0.402 nan 8.310 nan 0.000 0.500 516 N N 3.517 122.260 118.700 0.072 0.000 2.521 516 N HA 0.349 5.089 4.740 -0.000 0.000 0.236 516 N C -0.138 175.402 175.510 0.051 0.000 1.067 516 N CA -0.213 52.867 53.050 0.051 0.000 0.939 516 N CB -0.281 38.231 38.487 0.042 0.000 1.201 516 N HN 0.859 nan 8.380 nan 0.000 0.511 517 M N 0.137 119.759 119.600 0.037 0.000 2.749 517 M HA -0.003 4.477 4.480 -0.000 0.000 0.479 517 M C -0.821 175.478 176.300 -0.001 0.000 1.231 517 M CA 0.011 55.330 55.300 0.033 0.000 0.974 517 M CB 0.163 32.808 32.600 0.075 0.000 2.119 517 M HN 0.392 nan 8.290 nan 0.000 0.717 518 S N 0.218 115.909 115.700 -0.016 0.000 2.549 518 S HA 0.666 5.136 4.470 -0.000 0.000 0.297 518 S C -0.058 174.530 174.600 -0.021 0.000 1.115 518 S CA -0.560 57.616 58.200 -0.039 0.000 1.059 518 S CB 1.977 65.135 63.200 -0.069 0.000 1.046 518 S HN 0.067 nan 8.310 nan 0.000 0.506 519 T N 2.243 116.781 114.554 -0.026 0.000 2.904 519 T HA 0.246 4.596 4.350 -0.000 0.000 0.290 519 T C 1.792 176.490 174.700 -0.004 0.000 1.018 519 T CA -0.070 62.022 62.100 -0.013 0.000 1.075 519 T CB 1.177 70.034 68.868 -0.018 0.000 0.986 519 T HN 0.874 nan 8.240 nan 0.000 0.523 520 S N 1.870 117.574 115.700 0.007 0.000 2.392 520 S HA -0.159 4.311 4.470 -0.000 0.000 0.232 520 S C 2.145 176.759 174.600 0.024 0.000 1.041 520 S CA 1.657 59.866 58.200 0.015 0.000 1.026 520 S CB -0.883 62.328 63.200 0.020 0.000 0.845 520 S HN 0.492 nan 8.310 nan 0.000 0.465 521 V N 2.229 122.163 119.914 0.032 0.000 2.332 521 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 521 V C 2.472 178.638 176.094 0.120 0.000 1.055 521 V CA 2.729 65.076 62.300 0.077 0.000 1.038 521 V CB -1.463 30.400 31.823 0.066 0.000 0.651 521 V HN 0.741 nan 8.190 nan 0.000 0.450 522 T N 0.514 115.087 114.554 0.033 0.000 2.555 522 T HA -0.268 4.082 4.350 -0.000 0.000 0.264 522 T C 1.867 176.591 174.700 0.039 0.000 1.083 522 T CA 2.105 64.204 62.100 -0.003 0.000 1.179 522 T CB -0.459 68.374 68.868 -0.058 0.000 0.863 522 T HN 0.508 nan 8.240 nan 0.000 0.412 523 R N 0.778 121.273 120.500 -0.009 0.000 2.178 523 R HA -0.162 4.178 4.340 -0.000 0.000 0.257 523 R C 2.612 178.891 176.300 -0.035 0.000 1.163 523 R CA 1.367 57.434 56.100 -0.055 0.000 0.981 523 R CB -1.046 29.204 30.300 -0.083 0.000 0.878 523 R HN 0.524 nan 8.270 nan 0.000 0.454 524 G N 0.576 109.398 108.800 0.037 0.000 2.736 524 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.214 524 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.214 524 G C 0.778 175.737 174.900 0.099 0.000 1.327 524 G CA 1.016 46.147 45.100 0.052 0.000 0.818 524 G HN 0.243 nan 8.290 nan 0.000 0.611 525 Y N 1.631 121.933 120.300 0.003 0.000 2.170 525 Y HA -0.290 4.260 4.550 -0.000 0.000 0.274 525 Y C 3.147 179.095 175.900 0.081 0.000 1.253 525 Y CA 1.421 59.563 58.100 0.070 0.000 1.133 525 Y CB -0.907 37.592 38.460 0.065 0.000 0.941 525 Y HN 0.312 nan 8.280 nan 0.000 0.518 526 A N 0.144 123.070 122.820 0.177 0.000 1.848 526 A HA -0.217 4.103 4.320 -0.000 0.000 0.211 526 A C 2.277 179.858 177.584 -0.005 0.000 1.225 526 A CA 1.636 53.709 52.037 0.061 0.000 0.637 526 A CB -1.369 17.620 19.000 -0.017 0.000 0.867 526 A HN 0.474 nan 8.150 nan 0.000 0.463 527 L N -0.728 120.440 121.223 -0.092 0.000 2.017 527 L HA -0.341 3.999 4.340 -0.000 0.000 0.234 527 L C 2.588 179.339 176.870 -0.199 0.000 1.097 527 L CA 3.031 57.767 54.840 -0.173 0.000 0.816 527 L CB -1.013 40.907 42.059 -0.232 0.000 0.914 527 L HN 0.605 nan 8.230 nan 0.000 0.444 528 T N 0.075 114.544 114.554 -0.142 0.000 2.564 528 T HA -0.393 3.957 4.350 -0.000 0.000 0.264 528 T C 1.794 176.454 174.700 -0.066 0.000 1.100 528 T CA 2.217 64.257 62.100 -0.101 0.000 1.171 528 T CB -0.888 68.022 68.868 0.069 0.000 0.863 528 T HN 0.680 nan 8.240 nan 0.000 0.430 529 A N 1.256 124.095 122.820 0.031 0.000 1.859 529 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 529 A C 2.309 179.889 177.584 -0.007 0.000 1.209 529 A CA 2.132 54.181 52.037 0.019 0.000 0.639 529 A CB -1.189 17.851 19.000 0.067 0.000 0.835 529 A HN 0.564 nan 8.150 nan 0.000 0.450 530 I N -1.095 119.467 120.570 -0.014 0.000 2.182 530 I HA -0.419 3.751 4.170 -0.000 0.000 0.248 530 I C 2.834 178.960 176.117 0.015 0.000 1.073 530 I CA 2.189 63.488 61.300 -0.002 0.000 1.335 530 I CB -0.309 37.666 38.000 -0.042 0.000 1.031 530 I HN 0.450 nan 8.210 nan 0.000 0.420 531 M N 0.155 119.722 119.600 -0.054 0.000 2.132 531 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 531 M C 2.210 178.561 176.300 0.086 0.000 1.065 531 M CA 1.668 56.984 55.300 0.028 0.000 1.122 531 M CB -0.315 32.206 32.600 -0.132 0.000 1.365 531 M HN 0.186 nan 8.290 nan 0.000 0.411 532 K N 0.405 120.825 120.400 0.034 0.000 2.293 532 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 532 K C 1.715 178.343 176.600 0.047 0.000 1.045 532 K CA 1.073 57.372 56.287 0.020 0.000 0.933 532 K CB -0.471 31.993 32.500 -0.060 0.000 0.736 532 K HN 0.428 nan 8.250 nan 0.000 0.463 533 L N 0.891 122.190 121.223 0.127 0.000 2.095 533 L HA -0.125 4.215 4.340 -0.000 0.000 0.204 533 L C 2.795 179.859 176.870 0.323 0.000 1.080 533 L CA 1.143 56.157 54.840 0.291 0.000 0.759 533 L CB -0.964 41.387 42.059 0.486 0.000 0.914 533 L HN 0.265 nan 8.230 nan 0.000 0.439 534 S N -0.218 115.634 115.700 0.254 0.000 2.409 534 S HA -0.280 4.190 4.470 -0.000 0.000 0.237 534 S C 1.829 176.554 174.600 0.209 0.000 1.060 534 S CA 2.389 60.749 58.200 0.266 0.000 1.052 534 S CB -0.617 62.821 63.200 0.396 0.000 0.871 534 S HN 0.442 nan 8.310 nan 0.000 0.465 535 T N 0.732 115.370 114.554 0.139 0.000 3.081 535 T HA 0.248 4.598 4.350 -0.000 0.000 0.255 535 T C 1.430 176.146 174.700 0.027 0.000 1.113 535 T CA 0.328 62.474 62.100 0.076 0.000 1.082 535 T CB -0.073 68.817 68.868 0.038 0.000 0.939 535 T HN 0.461 nan 8.240 nan 0.000 0.506 536 R N -0.263 120.236 120.500 -0.003 0.000 2.468 536 R HA 0.375 4.715 4.340 -0.000 0.000 0.280 536 R C -0.735 175.318 176.300 -0.412 0.000 0.963 536 R CA -0.037 55.931 56.100 -0.220 0.000 1.083 536 R CB 0.377 30.471 30.300 -0.343 0.000 1.200 536 R HN 0.254 nan 8.270 nan 0.000 0.541 537 F N -2.901 117.062 119.950 0.022 0.000 2.692 537 F HA 0.276 4.803 4.527 -0.000 0.000 0.320 537 F C 1.121 176.935 175.800 0.023 0.000 1.123 537 F CA -0.932 57.079 58.000 0.018 0.000 0.961 537 F CB 1.910 40.920 39.000 0.016 0.000 1.383 537 F HN -0.315 nan 8.300 nan 0.000 0.483 538 T N -1.781 112.939 114.554 0.276 0.000 2.990 538 T HA 0.054 4.404 4.350 -0.000 0.000 0.249 538 T C 0.909 175.668 174.700 0.098 0.000 1.039 538 T CA 0.855 63.042 62.100 0.145 0.000 1.036 538 T CB -0.102 68.830 68.868 0.106 0.000 0.994 538 T HN 0.805 nan 8.240 nan 0.000 0.489 539 C N -0.333 119.012 119.300 0.074 0.000 3.060 539 C HA 0.237 4.697 4.460 -0.000 0.000 0.548 539 C C 2.060 177.045 174.990 -0.009 0.000 1.317 539 C CA -0.060 58.974 59.018 0.026 0.000 2.592 539 C CB -0.619 27.130 27.740 0.015 0.000 3.519 539 C HN 0.248 nan 8.230 nan 0.000 0.524 540 T N 2.597 117.118 114.554 -0.054 0.000 3.400 540 T HA 0.049 4.399 4.350 -0.000 0.000 0.254 540 T C 1.413 176.073 174.700 -0.068 0.000 1.153 540 T CA 0.601 62.652 62.100 -0.082 0.000 1.012 540 T CB -0.457 68.325 68.868 -0.144 0.000 0.994 540 T HN 0.463 nan 8.240 nan 0.000 0.555 541 V N 2.059 121.961 119.914 -0.021 0.000 3.244 541 V HA -0.163 3.957 4.120 -0.000 0.000 0.273 541 V C 1.912 177.969 176.094 -0.061 0.000 1.180 541 V CA 1.175 63.477 62.300 0.003 0.000 1.182 541 V CB -0.754 31.105 31.823 0.059 0.000 0.796 541 V HN 0.636 nan 8.190 nan 0.000 0.543 542 N N 0.029 118.685 118.700 -0.074 0.000 2.571 542 N HA 0.031 4.771 4.740 -0.000 0.000 0.195 542 N C 1.975 177.418 175.510 -0.112 0.000 1.040 542 N CA 0.280 53.272 53.050 -0.097 0.000 0.890 542 N CB 0.009 38.459 38.487 -0.062 0.000 1.233 542 N HN 0.353 nan 8.380 nan 0.000 0.435 543 R N 1.449 121.895 120.500 -0.090 0.000 2.139 543 R HA -0.013 4.327 4.340 -0.000 0.000 0.243 543 R C 2.140 178.381 176.300 -0.099 0.000 1.145 543 R CA 0.808 56.859 56.100 -0.081 0.000 0.976 543 R CB -0.168 30.090 30.300 -0.071 0.000 0.866 543 R HN 0.169 nan 8.270 nan 0.000 0.449 544 I N 0.861 121.356 120.570 -0.124 0.000 2.058 544 I HA -0.353 3.817 4.170 -0.000 0.000 0.235 544 I C 2.186 178.162 176.117 -0.235 0.000 1.053 544 I CA 1.741 62.953 61.300 -0.147 0.000 1.313 544 I CB -0.317 37.605 38.000 -0.131 0.000 1.039 544 I HN 0.200 nan 8.210 nan 0.000 0.396 545 K N 0.529 120.680 120.400 -0.414 0.000 2.144 545 K HA -0.303 4.017 4.320 -0.000 0.000 0.209 545 K C 2.094 178.550 176.600 -0.239 0.000 1.047 545 K CA 1.822 57.786 56.287 -0.538 0.000 0.927 545 K CB -0.246 31.924 32.500 -0.551 0.000 0.716 545 K HN 0.248 nan 8.250 nan 0.000 0.454 546 K N 0.936 121.243 120.400 -0.157 0.000 1.991 546 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 546 K C 1.956 178.530 176.600 -0.044 0.000 1.049 546 K CA 1.764 58.001 56.287 -0.084 0.000 0.932 546 K CB -0.078 32.382 32.500 -0.066 0.000 0.717 546 K HN -0.045 nan 8.250 nan 0.000 0.441 547 V N 1.142 121.039 119.914 -0.029 0.000 2.231 547 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 547 V C 2.468 178.622 176.094 0.100 0.000 1.054 547 V CA 1.976 64.303 62.300 0.046 0.000 1.015 547 V CB -0.674 31.183 31.823 0.057 0.000 0.638 547 V HN 0.193 nan 8.190 nan 0.000 0.444 548 V N -0.190 119.755 119.914 0.051 0.000 2.222 548 V HA -0.376 3.744 4.120 -0.000 0.000 0.252 548 V C 2.644 178.817 176.094 0.132 0.000 1.060 548 V CA 2.748 65.108 62.300 0.100 0.000 1.027 548 V CB -1.135 30.732 31.823 0.074 0.000 0.644 548 V HN 0.590 nan 8.190 nan 0.000 0.448 549 S N -0.953 114.788 115.700 0.068 0.000 2.420 549 S HA -0.137 4.333 4.470 -0.000 0.000 0.237 549 S C 1.709 176.336 174.600 0.045 0.000 1.023 549 S CA 1.626 59.863 58.200 0.062 0.000 0.991 549 S CB -0.475 62.738 63.200 0.023 0.000 0.792 549 S HN 0.522 nan 8.310 nan 0.000 0.488 550 I N -0.906 119.679 120.570 0.025 0.000 2.406 550 I HA -0.089 4.081 4.170 -0.000 0.000 0.249 550 I C 1.578 177.642 176.117 -0.089 0.000 1.122 550 I CA 1.025 62.295 61.300 -0.049 0.000 1.431 550 I CB -0.342 37.597 38.000 -0.102 0.000 1.087 550 I HN 0.294 nan 8.210 nan 0.000 0.424 551 Y N 1.312 121.625 120.300 0.022 0.000 2.616 551 Y HA -0.009 4.541 4.550 -0.000 0.000 0.296 551 Y C 2.449 178.377 175.900 0.046 0.000 1.154 551 Y CA 0.575 58.694 58.100 0.032 0.000 1.325 551 Y CB -0.341 38.140 38.460 0.034 0.000 1.007 551 Y HN 0.128 nan 8.280 nan 0.000 0.542 552 G N -1.070 107.825 108.800 0.159 0.000 2.564 552 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 552 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 552 G C 0.545 175.498 174.900 0.090 0.000 1.120 552 G CA 0.967 46.143 45.100 0.127 0.000 0.752 552 G HN 0.255 nan 8.290 nan 0.000 0.558 553 S N -0.433 115.304 115.700 0.062 0.000 2.112 553 S HA 0.528 4.998 4.470 -0.000 0.000 0.151 553 S C -0.487 174.132 174.600 0.032 0.000 1.723 553 S CA -0.521 57.700 58.200 0.036 0.000 1.263 553 S CB 1.236 64.439 63.200 0.005 0.000 1.194 553 S HN 0.212 nan 8.310 nan 0.000 0.419 554 S N 1.127 116.879 115.700 0.087 0.000 2.526 554 S HA 0.561 5.031 4.470 -0.000 0.000 0.293 554 S C 1.196 175.849 174.600 0.088 0.000 1.092 554 S CA -0.839 57.425 58.200 0.108 0.000 0.980 554 S CB 0.571 63.924 63.200 0.256 0.000 1.048 554 S HN 0.449 nan 8.310 nan 0.000 0.483 555 I N 1.617 122.229 120.570 0.069 0.000 2.185 555 I HA -0.148 4.022 4.170 -0.000 0.000 0.246 555 I C 1.233 177.384 176.117 0.057 0.000 1.088 555 I CA 1.059 62.390 61.300 0.053 0.000 1.347 555 I CB -0.236 37.791 38.000 0.044 0.000 1.041 555 I HN 0.605 nan 8.210 nan 0.000 0.415 556 D N 1.908 122.351 120.400 0.073 0.000 2.426 556 D HA -0.005 4.635 4.640 -0.000 0.000 0.271 556 D C 1.427 177.762 176.300 0.059 0.000 1.376 556 D CA 0.165 54.203 54.000 0.063 0.000 1.149 556 D CB 0.710 41.552 40.800 0.069 0.000 1.118 556 D HN -0.013 nan 8.370 nan 0.000 0.529 557 V N 3.524 123.464 119.914 0.044 0.000 2.285 557 V HA -0.363 3.757 4.120 -0.000 0.000 0.260 557 V C 2.315 178.433 176.094 0.041 0.000 1.089 557 V CA 2.363 64.685 62.300 0.038 0.000 1.082 557 V CB -0.651 31.187 31.823 0.025 0.000 0.681 557 V HN 0.499 nan 8.190 nan 0.000 0.452 558 E N 0.448 120.671 120.200 0.038 0.000 1.998 558 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 558 E C 2.020 178.655 176.600 0.059 0.000 1.003 558 E CA 1.770 58.193 56.400 0.038 0.000 0.829 558 E CB -0.621 29.095 29.700 0.028 0.000 0.777 558 E HN 0.485 nan 8.360 nan 0.000 0.460 559 L N 0.606 121.864 121.223 0.057 0.000 1.997 559 L HA -0.360 3.980 4.340 -0.000 0.000 0.227 559 L C 2.908 179.850 176.870 0.120 0.000 1.087 559 L CA 2.346 57.224 54.840 0.063 0.000 0.797 559 L CB -1.175 40.906 42.059 0.036 0.000 0.902 559 L HN 0.428 nan 8.230 nan 0.000 0.441 560 Q N 0.053 119.930 119.800 0.129 0.000 1.943 560 Q HA -0.374 3.966 4.340 -0.000 0.000 0.213 560 Q C 2.143 178.210 176.000 0.112 0.000 1.017 560 Q CA 2.684 58.566 55.803 0.132 0.000 0.874 560 Q CB -0.281 28.517 28.738 0.099 0.000 0.960 560 Q HN 0.426 nan 8.270 nan 0.000 0.417 561 Q N 0.357 120.202 119.800 0.074 0.000 2.028 561 Q HA -0.283 4.057 4.340 -0.000 0.000 0.215 561 Q C 1.990 178.018 176.000 0.047 0.000 1.041 561 Q CA 2.922 58.752 55.803 0.045 0.000 0.897 561 Q CB -0.447 28.305 28.738 0.023 0.000 1.017 561 Q HN 0.433 nan 8.270 nan 0.000 0.418 562 R N -0.322 120.222 120.500 0.073 0.000 2.115 562 R HA -0.231 4.109 4.340 -0.000 0.000 0.239 562 R C 2.358 178.822 176.300 0.274 0.000 1.133 562 R CA 1.562 57.718 56.100 0.094 0.000 0.935 562 R CB -1.013 29.508 30.300 0.368 0.000 0.853 562 R HN 0.490 nan 8.270 nan 0.000 0.433 563 A N 0.833 123.868 122.820 0.360 0.000 1.882 563 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 563 A C 2.430 180.183 177.584 0.283 0.000 1.253 563 A CA 2.461 54.715 52.037 0.362 0.000 0.664 563 A CB -1.132 18.022 19.000 0.256 0.000 0.838 563 A HN 0.184 nan 8.150 nan 0.000 0.460 564 V N -0.161 119.853 119.914 0.167 0.000 2.252 564 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 564 V C 2.384 178.529 176.094 0.086 0.000 1.056 564 V CA 2.573 64.941 62.300 0.114 0.000 1.022 564 V CB -1.106 30.758 31.823 0.069 0.000 0.641 564 V HN 0.685 nan 8.190 nan 0.000 0.445 565 E N -0.844 119.354 120.200 -0.002 0.000 2.037 565 E HA -0.285 4.065 4.350 -0.000 0.000 0.214 565 E C 2.073 178.623 176.600 -0.083 0.000 1.041 565 E CA 2.482 58.804 56.400 -0.130 0.000 0.872 565 E CB -0.467 29.029 29.700 -0.341 0.000 0.785 565 E HN 0.711 nan 8.360 nan 0.000 0.476 566 Y N 1.066 121.414 120.300 0.080 0.000 1.977 566 Y HA -0.373 4.177 4.550 -0.000 0.000 0.264 566 Y C 2.420 178.460 175.900 0.233 0.000 1.167 566 Y CA 1.823 59.997 58.100 0.123 0.000 1.102 566 Y CB -1.114 37.471 38.460 0.208 0.000 0.948 566 Y HN 0.290 nan 8.280 nan 0.000 0.489 567 N N 0.306 119.283 118.700 0.462 0.000 2.161 567 N HA -0.396 4.344 4.740 -0.000 0.000 0.199 567 N C 1.906 177.610 175.510 0.322 0.000 0.990 567 N CA 1.841 55.117 53.050 0.377 0.000 0.902 567 N CB -0.452 38.168 38.487 0.222 0.000 1.074 567 N HN 0.430 nan 8.380 nan 0.000 0.556 568 A N 0.876 123.815 122.820 0.198 0.000 1.940 568 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 568 A C 2.410 180.078 177.584 0.140 0.000 1.176 568 A CA 1.176 53.299 52.037 0.145 0.000 0.631 568 A CB -0.708 18.351 19.000 0.097 0.000 0.814 568 A HN 0.434 nan 8.150 nan 0.000 0.446 569 L N -1.896 119.375 121.223 0.080 0.000 2.013 569 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 569 L C 2.544 179.370 176.870 -0.073 0.000 1.073 569 L CA 1.713 56.532 54.840 -0.036 0.000 0.753 569 L CB -0.673 41.257 42.059 -0.215 0.000 0.890 569 L HN 0.443 nan 8.230 nan 0.000 0.432 570 F N 0.116 120.119 119.950 0.088 0.000 2.031 570 F HA -0.224 4.303 4.527 -0.000 0.000 0.295 570 F C 2.535 178.349 175.800 0.024 0.000 1.133 570 F CA 1.250 59.279 58.000 0.049 0.000 1.188 570 F CB -0.570 38.458 39.000 0.046 0.000 0.974 570 F HN -0.179 nan 8.300 nan 0.000 0.473 571 K N -0.029 120.518 120.400 0.246 0.000 2.304 571 K HA -0.235 4.085 4.320 -0.000 0.000 0.204 571 K C 1.519 178.139 176.600 0.033 0.000 1.044 571 K CA 1.511 57.869 56.287 0.118 0.000 0.932 571 K CB -0.131 32.432 32.500 0.105 0.000 0.735 571 K HN 0.133 nan 8.250 nan 0.000 0.468 572 K N -1.882 118.526 120.400 0.012 0.000 2.678 572 K HA 0.124 4.444 4.320 -0.000 0.000 0.240 572 K C -0.312 176.140 176.600 -0.247 0.000 1.508 572 K CA 0.251 56.438 56.287 -0.168 0.000 0.824 572 K CB -0.104 32.256 32.500 -0.233 0.000 1.893 572 K HN -0.070 nan 8.250 nan 0.000 0.366 573 Y N 2.976 123.266 120.300 -0.017 0.000 2.994 573 Y HA 0.199 4.749 4.550 -0.000 0.000 0.393 573 Y C 0.487 176.353 175.900 -0.056 0.000 1.118 573 Y CA -0.616 57.472 58.100 -0.020 0.000 1.906 573 Y CB -0.902 37.546 38.460 -0.019 0.000 1.925 573 Y HN 0.232 nan 8.280 nan 0.000 0.446 574 D N 0.305 120.700 120.400 -0.008 0.000 2.722 574 D HA -0.314 4.326 4.640 -0.000 0.000 0.252 574 D C 1.805 178.047 176.300 -0.096 0.000 1.234 574 D CA 2.001 55.929 54.000 -0.120 0.000 1.061 574 D CB -0.408 40.226 40.800 -0.276 0.000 1.558 574 D HN 0.495 nan 8.370 nan 0.000 0.555 575 H N -0.119 118.975 119.070 0.039 0.000 2.486 575 H HA -0.219 4.337 4.556 -0.000 0.000 0.285 575 H C 2.253 177.594 175.328 0.020 0.000 1.129 575 H CA 1.423 57.490 56.048 0.032 0.000 1.131 575 H CB -0.510 29.273 29.762 0.036 0.000 1.339 575 H HN 0.368 nan 8.280 nan 0.000 0.503 576 M N 0.291 119.954 119.600 0.106 0.000 2.159 576 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 576 M C 2.632 178.932 176.300 0.001 0.000 1.063 576 M CA 1.644 56.972 55.300 0.047 0.000 1.110 576 M CB -0.251 32.363 32.600 0.023 0.000 1.374 576 M HN 0.328 nan 8.290 nan 0.000 0.411 577 R N 0.359 120.833 120.500 -0.045 0.000 2.112 577 R HA -0.157 4.183 4.340 -0.000 0.000 0.242 577 R C 2.042 178.334 176.300 -0.014 0.000 1.137 577 R CA 2.157 58.210 56.100 -0.078 0.000 0.944 577 R CB -1.324 28.872 30.300 -0.174 0.000 0.857 577 R HN 0.169 nan 8.270 nan 0.000 0.435 578 S N 1.381 117.094 115.700 0.022 0.000 2.369 578 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 578 S C 2.281 176.896 174.600 0.024 0.000 1.043 578 S CA 1.784 60.008 58.200 0.040 0.000 1.074 578 S CB -0.522 62.725 63.200 0.078 0.000 0.962 578 S HN 0.654 nan 8.310 nan 0.000 0.433 579 A N 1.041 123.876 122.820 0.025 0.000 1.930 579 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 579 A C 2.139 179.725 177.584 0.003 0.000 1.175 579 A CA 1.066 53.111 52.037 0.013 0.000 0.627 579 A CB -0.685 18.323 19.000 0.013 0.000 0.815 579 A HN 0.436 nan 8.150 nan 0.000 0.443 580 L N -0.591 120.630 121.223 -0.003 0.000 1.955 580 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 580 L C 2.681 179.554 176.870 0.005 0.000 1.072 580 L CA 1.648 56.483 54.840 -0.008 0.000 0.755 580 L CB -0.811 41.235 42.059 -0.022 0.000 0.888 580 L HN 0.396 nan 8.230 nan 0.000 0.432 581 L N -0.692 120.536 121.223 0.009 0.000 2.007 581 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 581 L C 2.278 179.147 176.870 -0.002 0.000 1.073 581 L CA 0.831 55.679 54.840 0.013 0.000 0.744 581 L CB -0.784 41.286 42.059 0.019 0.000 0.898 581 L HN 0.221 nan 8.230 nan 0.000 0.435 582 E N 1.160 121.357 120.200 -0.006 0.000 2.483 582 E HA -0.190 4.160 4.350 -0.000 0.000 0.207 582 E C -0.143 176.451 176.600 -0.010 0.000 1.117 582 E CA 0.789 57.181 56.400 -0.014 0.000 0.915 582 E CB -0.112 29.584 29.700 -0.007 0.000 0.862 582 E HN 0.300 nan 8.360 nan 0.000 0.600 583 R N 0.107 120.606 120.500 -0.003 0.000 2.518 583 R HA 0.361 4.700 4.340 -0.000 0.000 0.296 583 R C -0.840 175.471 176.300 0.018 0.000 1.080 583 R CA -0.388 55.716 56.100 0.007 0.000 0.922 583 R CB 1.385 31.690 30.300 0.010 0.000 1.184 583 R HN 0.080 nan 8.270 nan 0.000 0.445 584 M N 2.947 122.561 119.600 0.023 0.000 2.268 584 M HA 0.483 4.963 4.480 -0.000 0.000 0.344 584 M C -2.116 174.221 176.300 0.061 0.000 1.106 584 M CA -1.943 53.389 55.300 0.053 0.000 1.010 584 M CB 0.956 33.577 32.600 0.036 0.000 1.649 584 M HN 0.164 nan 8.290 nan 0.000 0.443 585 P HA 0.474 nan 4.420 nan 0.000 0.302 585 P C -1.094 176.250 177.300 0.072 0.000 1.301 585 P CA -0.588 62.545 63.100 0.056 0.000 0.745 585 P CB 0.549 32.275 31.700 0.043 0.000 1.331 586 V N -0.206 119.745 119.914 0.063 0.000 2.697 586 V HA 0.230 4.350 4.120 -0.000 0.000 0.296 586 V C -0.749 175.377 176.094 0.054 0.000 1.140 586 V CA -0.502 61.842 62.300 0.073 0.000 0.921 586 V CB 1.553 33.428 31.823 0.086 0.000 1.036 586 V HN 0.360 nan 8.190 nan 0.000 0.438 587 M N 3.847 123.477 119.600 0.050 0.000 2.264 587 M HA 0.596 5.076 4.480 -0.000 0.000 0.352 587 M C -0.101 176.221 176.300 0.037 0.000 1.173 587 M CA -0.265 55.056 55.300 0.035 0.000 1.075 587 M CB 1.237 33.850 32.600 0.023 0.000 1.621 587 M HN 0.733 nan 8.290 nan 0.000 0.457 588 E N 1.604 121.821 120.200 0.029 0.000 2.248 588 E HA 0.552 4.902 4.350 -0.000 0.000 0.267 588 E C -1.021 175.591 176.600 0.020 0.000 0.877 588 E CA -0.917 55.499 56.400 0.027 0.000 0.759 588 E CB 3.066 32.783 29.700 0.028 0.000 1.182 588 E HN 0.444 nan 8.360 nan 0.000 0.418 589 K N 1.659 122.071 120.400 0.019 0.000 2.185 589 K HA 0.827 5.147 4.320 -0.000 0.000 0.240 589 K C -0.876 175.733 176.600 0.014 0.000 0.983 589 K CA -0.547 55.749 56.287 0.016 0.000 0.873 589 K CB 1.614 34.124 32.500 0.016 0.000 1.118 589 K HN 0.486 nan 8.250 nan 0.000 0.441 590 V N 0.000 119.922 119.914 0.013 0.000 2.409 590 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 590 V CA 0.000 nan 62.300 nan 0.000 1.235 590 V CB 0.000 nan 31.823 nan 0.000 1.184 590 V HN 0.000 nan 8.190 nan 0.000 0.556