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_I 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 0.606 32.221 31.700 -0.143 0.000 1.121 3 A N -0.962 121.819 122.820 -0.065 0.000 2.897 3 A HA 0.394 4.714 4.320 -0.000 0.000 0.230 3 A C -2.227 175.362 177.584 0.009 0.000 0.896 3 A CA -0.848 51.179 52.037 -0.017 0.000 1.114 3 A CB -1.368 17.628 19.000 -0.006 0.000 1.230 3 A HN 0.548 nan 8.150 nan 0.000 0.481 4 P HA -0.088 nan 4.420 nan 0.000 0.259 4 P C 0.105 177.462 177.300 0.094 0.000 1.120 4 P CA 0.800 63.931 63.100 0.051 0.000 0.759 4 P CB 0.035 31.804 31.700 0.116 0.000 0.704 5 I N 1.974 122.569 120.570 0.042 0.000 3.060 5 I HA 0.150 4.320 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 -0.212 61.102 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 3.206 123.715 120.500 0.015 0.000 2.604 6 R HA 0.347 4.687 4.340 -0.000 0.000 0.287 6 R C 0.887 177.175 176.300 -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 31.565 30.300 0.001 0.000 1.127 6 R HN 0.695 nan 8.270 nan 0.000 0.473 7 L N 3.274 124.488 121.223 -0.016 0.000 2.035 7 L HA -0.373 3.967 4.340 -0.000 0.000 0.243 7 L C 2.044 178.869 176.870 -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 2.165 58.233 56.100 -0.053 0.000 0.928 8 R CB -0.825 29.460 30.300 -0.024 0.000 0.873 8 R HN 0.507 nan 8.270 nan 0.000 0.434 9 E N 1.025 121.191 120.200 -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 -0.554 29.122 29.700 -0.039 0.000 0.764 9 E HN 0.221 nan 8.360 nan 0.000 0.463 10 L N 0.445 121.595 121.223 -0.121 0.000 1.941 10 L HA -0.206 4.134 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 2.448 57.181 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 -0.602 119.750 120.570 -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 -0.406 0.000 1.294 11 I CB -0.743 37.070 38.000 -0.312 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 2.081 178.342 176.300 -0.066 0.000 1.183 12 R CA 2.477 58.539 56.100 -0.064 0.000 1.002 12 R CB -0.866 29.404 30.300 -0.049 0.000 0.879 12 R HN 0.493 nan 8.270 nan 0.000 0.467 13 T N 0.484 114.983 114.554 -0.091 0.000 2.851 13 T HA -0.048 4.302 4.350 -0.000 0.000 0.262 13 T C 1.743 176.398 174.700 -0.076 0.000 1.043 13 T CA 1.120 63.174 62.100 -0.078 0.000 1.140 13 T CB -0.086 68.729 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 2.338 178.434 176.117 -0.035 0.000 1.263 14 I CA 0.749 62.002 61.300 -0.078 0.000 1.471 14 I CB -0.476 37.465 38.000 -0.099 0.000 1.089 14 I HN 0.012 nan 8.210 nan 0.000 0.468 15 R N -0.047 120.433 120.500 -0.032 0.000 2.148 15 R HA 0.019 4.359 4.340 -0.000 0.000 0.223 15 R C 1.941 178.234 176.300 -0.011 0.000 1.088 15 R CA 1.230 57.324 56.100 -0.010 0.000 0.985 15 R CB -0.857 29.437 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 0.040 4.390 4.350 -0.000 0.000 0.269 16 T C 0.953 175.646 174.700 -0.012 0.000 1.091 16 T CA 0.590 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 1.838 124.650 122.820 -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 0.403 52.436 52.037 -0.007 0.000 0.778 17 A CB 0.055 19.052 19.000 -0.004 0.000 0.920 17 A HN 0.537 nan 8.150 nan 0.000 0.513 18 R N 0.965 121.467 120.500 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 0.611 115.172 114.554 0.012 0.000 2.971 19 T HA 0.114 4.464 4.350 -0.000 0.000 0.304 19 T C 0.342 175.057 174.700 0.026 0.000 1.038 19 T CA -0.693 61.416 62.100 0.017 0.000 1.007 19 T CB 2.489 71.365 68.868 0.014 0.000 1.055 19 T HN -0.099 nan 8.240 nan 0.000 0.451 20 Q N 1.626 121.445 119.800 0.032 0.000 2.156 20 Q HA -0.236 4.104 4.340 -0.000 0.000 0.211 20 Q C 2.449 178.481 176.000 0.054 0.000 0.995 20 Q CA 2.109 57.942 55.803 0.049 0.000 0.877 20 Q CB -0.610 28.155 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 -0.283 4.037 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 1.941 53.999 52.037 0.035 0.000 0.629 21 A CB -0.778 18.236 19.000 0.023 0.000 0.826 21 A HN 0.517 nan 8.150 nan 0.000 0.447 22 E N -0.417 119.798 120.200 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 1.679 58.090 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 0.208 120.426 120.200 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 1.898 58.315 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 2.379 178.725 176.300 0.076 0.000 1.121 24 R CA 2.040 58.232 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 1.774 178.372 176.600 -0.003 0.000 1.043 25 E CA 2.564 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 2.557 57.831 55.300 -0.044 0.000 1.080 26 M CB -0.746 31.820 32.600 -0.056 0.000 1.274 26 M HN 0.304 nan 8.290 nan 0.000 0.434 27 I N -0.589 119.940 120.570 -0.069 0.000 2.053 27 I HA -0.407 3.763 4.170 -0.000 0.000 0.236 27 I C 2.676 178.759 176.117 -0.057 0.000 1.038 27 I CA 2.062 63.306 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 0.511 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 2.378 58.175 55.803 -0.011 0.000 0.877 28 Q CB -0.155 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 -0.318 120.055 120.400 -0.046 0.000 2.148 29 K HA -0.211 4.109 4.320 -0.000 0.000 0.204 29 K C 1.837 178.387 176.600 -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 0.907 121.047 120.200 -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 1.967 58.293 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 1.091 120.261 119.300 -0.218 0.000 2.396 31 C HA -0.101 4.359 4.460 -0.000 0.000 0.279 31 C C 2.691 177.459 174.990 -0.369 0.000 1.229 31 C CA 1.003 59.804 59.018 -0.362 0.000 1.801 31 C CB -1.714 25.743 27.740 -0.471 0.000 2.050 31 C HN 0.441 nan 8.230 nan 0.000 0.491 32 A N 1.808 124.491 122.820 -0.228 0.000 1.851 32 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 32 A C 2.645 180.142 177.584 -0.145 0.000 1.195 32 A CA 2.861 54.813 52.037 -0.142 0.000 0.622 32 A CB -1.423 17.530 19.000 -0.078 0.000 0.831 32 A HN 1.134 nan 8.150 nan 0.000 0.444 33 A N -0.561 122.174 122.820 -0.143 0.000 2.015 33 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 33 A C 2.094 179.558 177.584 -0.200 0.000 1.163 33 A CA 1.408 53.364 52.037 -0.134 0.000 0.646 33 A CB -0.572 18.364 19.000 -0.106 0.000 0.806 33 A HN 0.524 nan 8.150 nan 0.000 0.448 34 I N -1.213 119.187 120.570 -0.283 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 1.383 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 1.211 121.366 120.500 -0.574 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 58.043 56.100 -0.349 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 -0.407 115.210 115.700 -0.138 0.000 2.520 36 S HA -0.109 4.361 4.470 -0.000 0.000 0.249 36 S C 1.670 176.235 174.600 -0.058 0.000 0.983 36 S CA 1.249 59.410 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 -0.573 115.052 115.700 -0.126 0.000 2.486 37 S HA 0.219 4.689 4.470 -0.000 0.000 0.220 37 S C 1.298 176.060 174.600 0.270 0.000 1.011 37 S CA -0.018 58.184 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 1.160 121.135 119.950 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 -0.608 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 1.498 177.855 176.300 0.095 0.000 1.142 39 R CA 1.542 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 -0.271 176.372 176.600 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 1.601 121.860 120.200 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 56.883 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 0.274 120.716 120.400 0.071 0.000 2.339 42 D HA 0.117 4.757 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 -0.316 53.728 54.000 0.075 0.000 0.859 42 D CB 0.552 41.398 40.800 0.077 0.000 1.067 42 D HN 0.203 nan 8.370 nan 0.000 0.484 43 N N 0.935 119.672 118.700 0.063 0.000 2.133 43 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 43 N C 0.289 175.843 175.510 0.074 0.000 1.012 43 N CA 0.793 53.873 53.050 0.049 0.000 0.871 43 N CB 0.005 38.514 38.487 0.037 0.000 1.011 43 N HN 0.328 nan 8.380 nan 0.000 0.435 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 -0.118 174.805 174.700 0.372 0.000 0.992 44 T CA -0.291 61.907 62.100 0.163 0.000 1.076 44 T CB 0.978 69.956 68.868 0.182 0.000 0.961 44 T HN 0.278 nan 8.240 nan 0.000 0.490 45 Y N -0.691 119.623 120.300 0.024 0.000 4.174 45 Y HA -0.299 4.251 4.550 0.000 0.000 0.342 45 Y C 1.978 177.904 175.900 0.044 0.000 1.191 45 Y CA 0.952 59.076 58.100 0.040 0.000 1.799 45 Y CB -1.515 36.981 38.460 0.060 0.000 0.869 45 Y HN 0.565 nan 8.280 nan 0.000 0.417 46 R N 0.854 121.450 120.500 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 2.816 58.938 56.100 0.036 0.000 0.927 46 R CB -0.934 29.352 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 1.598 60.614 59.018 -0.003 0.000 1.769 47 C CB -1.198 26.530 27.740 -0.020 0.000 2.047 47 C HN 0.588 nan 8.230 nan 0.000 0.448 48 R N 0.944 121.469 120.500 0.042 0.000 2.223 48 R HA -0.196 4.144 4.340 -0.000 0.000 0.229 48 R C 2.233 178.592 176.300 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 0.278 119.074 118.700 0.161 0.000 2.064 49 N HA -0.216 4.524 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 1.991 55.166 53.050 0.209 0.000 0.880 49 N CB -0.873 37.866 38.487 0.420 0.000 1.062 49 N HN 0.072 nan 8.380 nan 0.000 0.454 50 V N 1.956 121.951 119.914 0.135 0.000 2.277 50 V HA -0.350 3.770 4.120 -0.000 0.000 0.255 50 V C 2.526 178.674 176.094 0.090 0.000 1.074 50 V CA 2.231 64.583 62.300 0.086 0.000 1.058 50 V CB -1.224 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 -0.265 4.055 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 2.274 54.361 52.037 0.082 0.000 0.614 51 A CB -0.692 18.346 19.000 0.063 0.000 0.852 51 A HN 0.536 nan 8.150 nan 0.000 0.447 52 K N -1.029 119.420 120.400 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 0.023 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 2.148 179.121 176.870 0.170 0.000 1.081 53 L CA 1.639 56.552 54.840 0.123 0.000 0.784 53 L CB -0.834 41.306 42.059 0.134 0.000 0.894 53 L HN 0.258 nan 8.230 nan 0.000 0.436 54 L N -1.685 119.630 121.223 0.154 0.000 2.064 54 L HA -0.405 3.935 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 40.945 42.059 0.127 0.000 0.919 54 L HN 0.502 nan 8.230 nan 0.000 0.447 55 Y N -0.056 120.282 120.300 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 -0.462 37.995 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 0.450 0.000 2.513 56 M HA -0.428 4.052 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 0.611 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 1.889 177.249 175.328 0.054 0.000 1.066 57 H CA 2.810 58.921 56.048 0.105 0.000 1.153 57 H CB -0.564 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 -0.810 118.648 119.600 -0.238 0.000 2.217 58 M HA -0.224 4.256 4.480 -0.000 0.000 0.245 58 M C 1.522 177.628 176.300 -0.322 0.000 1.101 58 M CA 1.280 56.369 55.300 -0.351 0.000 1.050 58 M CB -0.718 31.711 32.600 -0.284 0.000 1.357 58 M HN 0.379 nan 8.290 nan 0.000 0.394 59 L N 0.102 121.184 121.223 -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 0.518 55.301 54.840 -0.096 0.000 0.984 59 L CB -0.820 41.170 42.059 -0.115 0.000 1.232 59 L HN 0.497 nan 8.230 nan 0.000 0.465 60 G N -0.312 108.499 108.800 0.018 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 0.200 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 -0.585 119.738 120.300 0.038 0.000 2.790 61 Y HA 0.612 5.162 4.550 -0.000 0.000 0.323 61 Y C -1.976 174.002 175.900 0.129 0.000 1.230 61 Y CA -2.453 55.692 58.100 0.075 0.000 1.121 61 Y CB 0.986 39.479 38.460 0.055 0.000 1.328 61 Y HN 0.090 nan 8.280 nan 0.000 0.514 62 P HA 0.129 nan 4.420 nan 0.000 0.258 62 P C -0.588 176.816 177.300 0.173 0.000 1.214 62 P CA 0.641 63.860 63.100 0.200 0.000 0.872 62 P CB 0.437 32.231 31.700 0.156 0.000 0.890 63 A N 4.293 127.250 122.820 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 0.662 52.798 52.037 0.165 0.000 0.635 63 A CB -1.295 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 -1.378 117.778 119.070 0.143 0.000 2.346 64 H HA -0.331 4.225 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 2.039 58.155 56.048 0.113 0.000 1.182 64 H CB -1.408 28.400 29.762 0.077 0.000 1.351 64 H HN 0.360 nan 8.280 nan 0.000 0.475 65 F N 1.809 121.469 119.950 -0.483 0.000 2.115 65 F HA -0.320 4.207 4.527 -0.000 0.000 0.279 65 F C 2.580 178.392 175.800 0.019 0.000 1.092 65 F CA 3.040 60.891 58.000 -0.250 0.000 1.346 65 F CB -0.678 38.201 39.000 -0.202 0.000 0.919 65 F HN 0.477 nan 8.300 nan 0.000 0.505 66 G N -1.958 107.020 108.800 0.296 0.000 3.690 66 G HA2 0.130 4.090 3.960 -0.000 0.000 0.283 66 G HA3 0.130 4.090 3.960 -0.000 0.000 0.283 66 G C 0.853 175.803 174.900 0.084 0.000 1.057 66 G CA 0.390 45.618 45.100 0.213 0.000 0.821 66 G HN 0.447 nan 8.290 nan 0.000 0.526 67 Q N 0.539 120.385 119.800 0.076 0.000 2.028 67 Q HA -0.280 4.060 4.340 -0.000 0.000 0.213 67 Q C 2.466 178.468 176.000 0.003 0.000 1.017 67 Q CA 2.455 58.278 55.803 0.033 0.000 0.875 67 Q CB -0.395 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 -0.665 120.562 121.223 0.006 0.000 1.981 68 L HA -0.302 4.038 4.340 -0.000 0.000 0.237 68 L C 2.399 179.244 176.870 -0.042 0.000 1.095 68 L CA 2.410 57.241 54.840 -0.015 0.000 0.820 68 L CB -1.508 40.547 42.059 -0.006 0.000 0.914 68 L HN 0.405 nan 8.230 nan 0.000 0.442 69 E N -0.475 119.687 120.200 -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 2.088 58.409 56.400 -0.131 0.000 0.840 69 E CB -0.279 29.267 29.700 -0.258 0.000 0.738 69 E HN 0.665 nan 8.360 nan 0.000 0.470 70 C N 0.115 119.362 119.300 -0.087 0.000 2.393 70 C HA -0.186 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 1.369 60.349 59.018 -0.064 0.000 1.743 70 C CB -1.318 26.399 27.740 -0.039 0.000 2.044 70 C HN 0.704 nan 8.230 nan 0.000 0.464 71 L N 0.953 122.142 121.223 -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 2.100 56.909 54.840 -0.053 0.000 0.752 71 L CB -0.660 41.365 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 -0.168 4.152 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 0.936 57.199 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 -0.320 120.882 121.223 -0.034 0.000 2.071 73 L HA -0.119 4.221 4.340 -0.000 0.000 0.201 73 L C 1.851 178.725 176.870 0.006 0.000 1.076 73 L CA 0.546 55.372 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 0.969 121.571 120.570 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 1.765 63.157 61.300 0.153 0.000 1.335 74 I CB -1.020 37.085 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 1.504 53.554 52.037 0.023 0.000 0.630 75 A CB -1.209 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 -1.554 114.148 115.700 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 0.722 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 2.340 122.151 119.800 0.019 0.000 2.008 77 Q HA 0.124 4.464 4.340 -0.000 0.000 0.196 77 Q C 0.094 176.116 176.000 0.036 0.000 0.973 77 Q CA 1.445 57.273 55.803 0.041 0.000 0.826 77 Q CB -0.391 28.379 28.738 0.053 0.000 0.894 77 Q HN 0.735 nan 8.270 nan 0.000 0.439 78 K N 1.262 121.683 120.400 0.033 0.000 2.440 78 K HA -0.136 4.184 4.320 -0.000 0.000 0.275 78 K C 1.005 177.635 176.600 0.050 0.000 1.082 78 K CA -0.195 56.123 56.287 0.050 0.000 1.135 78 K CB -0.026 32.494 32.500 0.033 0.000 0.864 78 K HN 0.067 nan 8.250 nan 0.000 0.479 79 F N 3.991 123.897 119.950 -0.074 0.000 2.054 79 F HA -0.438 4.089 4.527 -0.000 0.000 0.294 79 F C 1.994 177.735 175.800 -0.099 0.000 1.126 79 F CA 2.644 60.578 58.000 -0.109 0.000 1.226 79 F CB -0.773 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 0.870 115.450 114.554 0.043 0.000 2.397 80 T HA -0.383 3.967 4.350 -0.000 0.000 0.236 80 T C 1.518 176.088 174.700 -0.217 0.000 1.393 80 T CA 2.082 64.125 62.100 -0.095 0.000 1.148 80 T CB -1.038 67.846 68.868 0.027 0.000 0.853 80 T HN 0.443 nan 8.240 nan 0.000 0.419 81 D N 0.914 121.243 120.400 -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 1.427 55.367 54.000 -0.101 0.000 0.872 81 D CB -0.258 40.506 40.800 -0.060 0.000 0.923 81 D HN 0.496 nan 8.370 nan 0.000 0.447 82 K N 0.197 120.446 120.400 -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 -0.411 0.000 1.049 82 K CA 1.033 57.122 56.287 -0.329 0.000 0.933 82 K CB -0.072 32.140 32.500 -0.479 0.000 0.714 82 K HN 0.210 nan 8.250 nan 0.000 0.438 83 R N 1.124 121.263 120.500 -0.602 0.000 2.062 83 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 83 R C 2.122 178.326 176.300 -0.160 0.000 1.136 83 R CA 1.334 57.169 56.100 -0.442 0.000 0.948 83 R CB -0.647 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 1.954 122.443 120.570 -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 63.225 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 0.107 108.905 108.800 -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 1.204 46.337 45.100 0.054 0.000 0.802 85 G HN 0.240 nan 8.290 nan 0.000 0.658 86 Y N 0.435 120.676 120.300 -0.098 0.000 2.100 86 Y HA -0.257 4.293 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 59.700 58.100 -0.082 0.000 1.105 86 Y CB -1.369 37.033 38.460 -0.096 0.000 0.924 86 Y HN 0.202 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 2.534 179.419 176.870 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 -1.337 107.475 108.800 0.020 0.000 2.469 88 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 88 G HA3 -0.310 3.650 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 1.321 46.422 45.100 0.001 0.000 0.759 88 G HN 0.769 nan 8.290 nan 0.000 0.562 89 A N 1.034 123.824 122.820 -0.049 0.000 1.829 89 A HA -0.077 4.243 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 2.147 54.132 52.037 -0.088 0.000 0.622 89 A CB -0.621 18.273 19.000 -0.177 0.000 0.846 89 A HN 0.343 nan 8.150 nan 0.000 0.447 90 M N -0.706 118.859 119.600 -0.059 0.000 2.252 90 M HA -0.223 4.257 4.480 -0.000 0.000 0.257 90 M C 1.913 178.202 176.300 -0.019 0.000 1.077 90 M CA 1.388 56.667 55.300 -0.035 0.000 1.066 90 M CB -0.571 32.019 32.600 -0.017 0.000 1.380 90 M HN 0.426 nan 8.290 nan 0.000 0.412 91 L N -1.027 120.181 121.223 -0.024 0.000 2.189 91 L HA -0.038 4.302 4.340 -0.000 0.000 0.199 91 L C 1.944 178.758 176.870 -0.095 0.000 1.074 91 L CA 0.725 55.544 54.840 -0.035 0.000 0.783 91 L CB -0.285 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 0.137 121.300 121.223 -0.099 0.000 2.591 92 L HA 0.125 4.465 4.340 -0.000 0.000 0.228 92 L C 0.473 177.315 176.870 -0.047 0.000 1.133 92 L CA -0.071 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 0.411 121.612 121.223 -0.037 0.000 2.326 93 L HA 0.262 4.602 4.340 -0.000 0.000 0.278 93 L C -0.185 176.684 176.870 -0.002 0.000 1.092 93 L CA -0.244 54.586 54.840 -0.018 0.000 0.810 93 L CB 1.079 43.122 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 -0.274 176.036 176.300 0.017 0.000 1.027 94 D CA -0.454 53.553 54.000 0.012 0.000 0.923 94 D CB 1.619 42.426 40.800 0.011 0.000 1.174 94 D HN 0.425 nan 8.370 nan 0.000 0.443 95 E N 0.720 120.930 120.200 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 56.380 56.400 0.024 0.000 1.534 95 E CB -0.231 29.479 29.700 0.016 0.000 1.309 95 E HN -0.022 nan 8.360 nan 0.000 0.499 96 R N 1.309 121.825 120.500 0.027 0.000 2.248 96 R HA 0.102 4.442 4.340 -0.000 0.000 0.328 96 R C 0.898 177.231 176.300 0.056 0.000 1.067 96 R CA -0.021 56.092 56.100 0.022 0.000 0.924 96 R CB 0.542 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 1.451 121.253 119.800 0.003 0.000 2.234 97 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 97 Q C 0.770 176.841 176.000 0.119 0.000 0.980 97 Q CA 1.405 57.205 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 40.073 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 2.332 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 0.386 119.440 119.070 -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 2.733 58.765 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 -0.440 120.828 121.223 0.076 0.000 2.044 101 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 101 L C 2.620 179.463 176.870 -0.044 0.000 1.075 101 L CA 1.008 55.863 54.840 0.025 0.000 0.747 101 L CB -0.381 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 -0.980 120.227 121.223 -0.028 0.000 2.081 102 L HA -0.307 4.033 4.340 -0.000 0.000 0.212 102 L C 2.618 179.443 176.870 -0.074 0.000 1.080 102 L CA 1.262 56.080 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 0.344 nan 8.230 nan 0.000 0.433 103 M N -0.446 119.081 119.600 -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 2.460 57.651 55.300 -0.180 0.000 1.103 103 M CB -0.616 31.834 32.600 -0.250 0.000 1.284 103 M HN 0.086 nan 8.290 nan 0.000 0.420 104 T N 0.826 115.246 114.554 -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 2.222 64.224 62.100 -0.163 0.000 1.164 104 T CB -1.033 67.750 68.868 -0.142 0.000 0.860 104 T HN 0.593 nan 8.240 nan 0.000 0.442 105 N N -0.352 118.315 118.700 -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 55.120 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 0.690 119.986 119.300 -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 0.074 59.111 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 1.346 121.929 120.570 0.021 0.000 2.076 107 I HA -0.196 3.974 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 1.787 63.116 61.300 0.048 0.000 1.317 107 I CB -1.557 36.431 38.000 -0.019 0.000 1.037 107 I HN 0.392 nan 8.210 nan 0.000 0.398 108 K N 1.245 121.661 120.400 0.027 0.000 2.000 108 K HA -0.236 4.084 4.320 -0.000 0.000 0.218 108 K C 1.952 178.580 176.600 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 0.926 119.655 118.700 0.048 0.000 2.182 109 N HA -0.203 4.537 4.740 -0.000 0.000 0.192 109 N C 1.216 176.781 175.510 0.093 0.000 1.007 109 N CA 1.710 54.798 53.050 0.064 0.000 0.873 109 N CB -0.326 38.196 38.487 0.058 0.000 0.998 109 N HN 0.375 nan 8.380 nan 0.000 0.436 110 D N 0.357 120.808 120.400 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 0.033 54.076 54.000 0.072 0.000 0.861 110 D CB -0.073 40.751 40.800 0.039 0.000 0.985 110 D HN 0.189 nan 8.370 nan 0.000 0.493 111 L N 0.594 121.856 121.223 0.066 0.000 2.189 111 L HA -0.123 4.217 4.340 -0.000 0.000 0.214 111 L C 0.452 177.357 176.870 0.059 0.000 1.097 111 L CA 0.875 55.744 54.840 0.049 0.000 0.764 111 L CB -0.159 41.922 42.059 0.037 0.000 0.900 111 L HN -0.073 nan 8.230 nan 0.000 0.436 112 N N -0.598 118.148 118.700 0.077 0.000 2.936 112 N HA 0.195 4.935 4.740 -0.000 0.000 0.243 112 N C -1.008 174.570 175.510 0.113 0.000 1.149 112 N CA -0.065 53.027 53.050 0.070 0.000 0.914 112 N CB 0.677 39.189 38.487 0.042 0.000 1.179 112 N HN 0.185 nan 8.380 nan 0.000 0.502 113 H N -0.971 118.110 119.070 0.018 0.000 2.797 113 H HA 0.361 4.917 4.556 -0.000 0.000 0.372 113 H C 0.868 176.213 175.328 0.029 0.000 1.168 113 H CA -0.378 55.687 56.048 0.027 0.000 1.163 113 H CB 1.526 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 0.650 116.127 115.700 -0.371 0.000 2.348 114 S HA -0.088 4.382 4.470 -0.000 0.000 0.221 114 S C 0.585 175.223 174.600 0.064 0.000 1.033 114 S CA 1.520 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 2.052 116.780 114.554 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 0.009 62.294 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 1.673 177.771 176.000 0.162 0.000 0.792 116 Q CA 0.256 56.164 55.803 0.175 0.000 0.960 116 Q CB -0.422 28.375 28.738 0.097 0.000 1.304 116 Q HN 0.473 nan 8.270 nan 0.000 0.566 117 F N 2.538 122.565 119.950 0.128 0.000 2.307 117 F HA -0.147 4.380 4.527 -0.000 0.000 0.301 117 F C 2.266 178.182 175.800 0.192 0.000 1.076 117 F CA 1.089 59.212 58.000 0.206 0.000 1.383 117 F CB -0.547 38.551 39.000 0.163 0.000 1.055 117 F HN -0.070 nan 8.300 nan 0.000 0.526 118 V N 0.027 120.138 119.914 0.329 0.000 2.214 118 V HA -0.345 3.775 4.120 -0.000 0.000 0.245 118 V C 2.292 178.376 176.094 -0.016 0.000 1.047 118 V CA 2.105 64.461 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 2.267 178.213 176.000 -0.090 0.000 0.998 119 Q CA 1.946 57.725 55.803 -0.039 0.000 0.895 119 Q CB -0.823 27.890 28.738 -0.043 0.000 0.926 119 Q HN 0.774 nan 8.270 nan 0.000 0.417 120 G N 1.521 110.254 108.800 -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 0.231 nan 8.290 nan 0.000 0.592 121 L N 0.952 122.163 121.223 -0.020 0.000 2.040 121 L HA -0.321 4.019 4.340 -0.000 0.000 0.228 121 L C 3.401 180.330 176.870 0.098 0.000 1.092 121 L CA 1.886 56.692 54.840 -0.057 0.000 0.805 121 L CB -1.177 40.613 42.059 -0.449 0.000 0.905 121 L HN 0.394 nan 8.230 nan 0.000 0.443 122 A N 0.393 123.254 122.820 0.069 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 2.228 54.409 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 -1.130 120.106 121.223 0.022 0.000 2.054 123 L HA -0.423 3.917 4.340 -0.000 0.000 0.240 123 L C 2.781 179.642 176.870 -0.016 0.000 1.107 123 L CA 2.191 57.022 54.840 -0.015 0.000 0.833 123 L CB -1.535 40.488 42.059 -0.060 0.000 0.929 123 L HN 0.795 nan 8.230 nan 0.000 0.447 124 C N -0.204 119.090 119.300 -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 2.453 61.470 59.018 -0.002 0.000 1.793 124 C CB -1.086 26.675 27.740 0.034 0.000 1.882 124 C HN 0.664 nan 8.230 nan 0.000 0.410 125 T N 0.725 115.300 114.554 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 -0.003 0.000 0.861 125 T HN 0.701 nan 8.240 nan 0.000 0.443 126 L N 0.428 121.595 121.223 -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 1.618 56.372 54.840 -0.142 0.000 0.759 126 L CB -0.538 41.476 42.059 -0.075 0.000 0.903 126 L HN 0.359 nan 8.230 nan 0.000 0.435 127 G N -1.903 106.734 108.800 -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 1.114 175.663 174.900 -0.584 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 -0.445 118.649 119.300 -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 -0.295 27.399 27.740 -0.077 0.000 2.153 128 C HN 0.419 nan 8.230 nan 0.000 0.618 129 M N 0.512 120.013 119.600 -0.166 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 0.046 0.000 1.523 129 M CA 0.558 55.834 55.300 -0.039 0.000 1.195 129 M CB -0.885 31.679 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 0.759 45.971 45.100 0.187 0.000 1.226 130 G HN 0.543 nan 8.290 nan 0.000 0.395 131 S N 1.790 117.669 115.700 0.297 0.000 2.608 131 S HA 0.672 5.142 4.470 -0.000 0.000 0.291 131 S C 1.578 176.268 174.600 0.150 0.000 1.146 131 S CA 0.355 58.666 58.200 0.186 0.000 1.043 131 S CB 1.862 65.116 63.200 0.091 0.000 1.037 131 S HN 0.855 nan 8.310 nan 0.000 0.520 132 S N 2.745 118.474 115.700 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 60.482 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 1.876 58.316 56.400 0.067 0.000 0.889 133 E CB -0.494 29.183 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 -0.493 32.245 32.600 0.230 0.000 1.252 134 M HN 0.371 nan 8.290 nan 0.000 0.454 135 C N -0.204 119.185 119.300 0.148 0.000 2.363 135 C HA -0.246 4.214 4.460 -0.000 0.000 0.274 135 C C 2.637 177.691 174.990 0.108 0.000 1.183 135 C CA 1.647 60.739 59.018 0.125 0.000 1.771 135 C CB -1.770 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 0.952 121.511 120.500 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 2.191 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 -0.302 40.534 40.800 0.060 0.000 1.036 137 D HN -0.024 nan 8.370 nan 0.000 0.428 138 L N 1.250 122.506 121.223 0.055 0.000 2.351 138 L HA -0.133 4.207 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 55.859 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 1.121 124.004 122.820 0.105 0.000 1.883 139 A HA -0.314 4.006 4.320 -0.000 0.000 0.226 139 A C 2.527 180.193 177.584 0.138 0.000 1.512 139 A CA 2.725 54.860 52.037 0.164 0.000 0.738 139 A CB -1.516 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 -1.150 107.689 108.800 0.066 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 0.562 nan 8.290 nan 0.000 0.573 141 E N 0.263 120.477 120.200 0.024 0.000 2.169 141 E HA -0.166 4.184 4.350 -0.000 0.000 0.202 141 E C 2.820 179.440 176.600 0.032 0.000 1.016 141 E CA 1.228 57.642 56.400 0.023 0.000 0.817 141 E CB -0.735 28.982 29.700 0.029 0.000 0.736 141 E HN 0.361 nan 8.360 nan 0.000 0.462 142 V N 1.076 121.031 119.914 0.067 0.000 2.332 142 V HA -0.263 3.857 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 2.187 64.548 62.300 0.101 0.000 1.038 142 V CB -0.529 31.415 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 -0.047 0.000 0.997 143 E CA 1.429 57.775 56.400 -0.090 0.000 0.804 143 E CB -0.146 29.400 29.700 -0.257 0.000 0.757 143 E HN 0.510 nan 8.360 nan 0.000 0.448 144 K N 0.011 120.386 120.400 -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 1.745 58.017 56.287 -0.025 0.000 0.927 144 K CB -0.183 32.308 32.500 -0.015 0.000 0.714 144 K HN 0.275 nan 8.250 nan 0.000 0.452 145 L N 0.394 121.616 121.223 -0.002 0.000 2.162 145 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 145 L C 2.367 179.238 176.870 0.002 0.000 1.086 145 L CA 0.288 55.127 54.840 -0.001 0.000 0.778 145 L CB -0.308 41.751 42.059 -0.000 0.000 0.928 145 L HN 0.214 nan 8.230 nan 0.000 0.446 146 L N 0.070 121.304 121.223 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 1.462 56.322 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 -0.311 120.091 120.400 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 1.090 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 4.472 120.178 115.700 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 57.697 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 0.781 nan 8.310 nan 0.000 0.540 150 N N 2.990 121.701 118.700 0.018 0.000 2.750 150 N HA 0.099 4.839 4.740 -0.000 0.000 0.253 150 N C 1.223 176.759 175.510 0.043 0.000 1.408 150 N CA 0.070 53.137 53.050 0.028 0.000 0.780 150 N CB 0.455 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 1.803 117.533 115.700 0.050 0.000 2.472 151 S HA -0.411 4.059 4.470 -0.000 0.000 0.292 151 S C 1.674 176.336 174.600 0.104 0.000 1.175 151 S CA 1.660 59.900 58.200 0.066 0.000 1.249 151 S CB -1.095 62.143 63.200 0.063 0.000 1.208 151 S HN 0.688 nan 8.310 nan 0.000 0.442 152 Y N 3.681 123.949 120.300 -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 -1.148 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 -0.316 4.024 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 2.204 56.887 54.840 -0.262 0.000 0.762 153 L CB -1.077 40.869 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 -0.297 4.043 4.340 -0.000 0.000 0.244 154 R C 2.464 178.769 176.300 0.008 0.000 1.121 154 R CA 2.959 59.058 56.100 -0.002 0.000 0.930 154 R CB -0.356 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 0.183 120.597 120.400 0.024 0.000 2.032 155 K HA -0.247 4.073 4.320 -0.000 0.000 0.218 155 K C 1.875 178.482 176.600 0.012 0.000 1.054 155 K CA 1.781 58.089 56.287 0.034 0.000 0.941 155 K CB -0.443 32.090 32.500 0.054 0.000 0.720 155 K HN 0.113 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 -0.023 0.000 1.052 156 K CA 1.794 58.053 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 1.638 124.443 122.820 -0.024 0.000 1.863 157 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 157 A C 2.426 180.037 177.584 0.046 0.000 1.233 157 A CA 3.425 55.472 52.037 0.017 0.000 0.655 157 A CB -1.278 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 -0.467 122.384 122.820 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 2.391 54.461 52.037 0.056 0.000 0.738 158 A CB -1.313 17.716 19.000 0.049 0.000 0.848 158 A HN 0.688 nan 8.150 nan 0.000 0.477 159 L N -1.319 119.923 121.223 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 56.765 54.840 0.029 0.000 0.769 159 L CB -1.130 40.945 42.059 0.027 0.000 0.890 159 L HN 0.679 nan 8.230 nan 0.000 0.435 160 C N -0.366 118.951 119.300 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 -0.241 122.588 122.820 0.014 0.000 1.944 161 A HA -0.248 4.072 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 2.961 54.901 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 0.068 119.904 119.914 -0.131 0.000 2.239 162 V HA -0.407 3.713 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 2.547 64.790 62.300 -0.095 0.000 1.012 162 V CB -1.213 30.600 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 2.143 177.443 175.328 -0.047 0.000 1.117 163 H CA 2.914 58.939 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 -0.108 0.000 1.053 164 V CA 2.244 64.548 62.300 0.006 0.000 1.009 164 V CB -0.879 30.950 31.823 0.009 0.000 0.636 164 V HN 0.382 nan 8.190 nan 0.000 0.445 165 I N -0.317 120.158 120.570 -0.158 0.000 2.091 165 I HA -0.400 3.770 4.170 -0.000 0.000 0.240 165 I C 2.830 178.873 176.117 -0.124 0.000 1.046 165 I CA 2.282 63.495 61.300 -0.145 0.000 1.306 165 I CB -0.601 37.298 38.000 -0.168 0.000 1.018 165 I HN 0.268 nan 8.210 nan 0.000 0.404 166 R N 0.540 120.947 120.500 -0.155 0.000 2.133 166 R HA -0.191 4.149 4.340 -0.000 0.000 0.247 166 R C 2.059 178.259 176.300 -0.167 0.000 1.151 166 R CA 1.303 57.307 56.100 -0.161 0.000 0.971 166 R CB -0.212 29.966 30.300 -0.203 0.000 0.866 166 R HN 0.336 nan 8.270 nan 0.000 0.447 167 K N -0.214 120.059 120.400 -0.212 0.000 2.379 167 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 167 K C 0.049 176.607 176.600 -0.070 0.000 1.031 167 K CA 0.469 56.668 56.287 -0.146 0.000 1.037 167 K CB 1.283 33.687 32.500 -0.160 0.000 0.824 167 K HN -0.008 nan 8.250 nan 0.000 0.516 168 V N 1.995 121.873 119.914 -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 -0.927 61.360 62.300 -0.023 0.000 1.185 168 V CB 1.489 33.316 31.823 0.006 0.000 1.178 168 V HN -0.113 nan 8.190 nan 0.000 0.562 169 P HA -0.272 nan 4.420 nan 0.000 0.222 169 P C 1.499 178.798 177.300 -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 31.999 31.700 -0.018 0.000 0.790 170 E N -0.986 119.219 120.200 0.009 0.000 2.233 170 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 170 E C 1.517 178.148 176.600 0.051 0.000 1.004 170 E CA 0.892 57.307 56.400 0.026 0.000 0.819 170 E CB -0.540 29.175 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 0.089 4.429 4.340 -0.000 0.000 0.227 171 L C 2.026 179.036 176.870 0.235 0.000 1.127 171 L CA -0.304 54.618 54.840 0.138 0.000 0.884 171 L CB -0.366 41.797 42.059 0.173 0.000 1.065 171 L HN 0.270 nan 8.230 nan 0.000 0.457 172 M N -0.392 119.286 119.600 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 0.150 0.000 1.028 173 E CA 2.608 59.101 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 0.919 176.963 176.300 -0.428 0.000 1.062 174 M CA 1.375 56.567 55.300 -0.181 0.000 1.050 174 M CB -0.430 31.988 32.600 -0.304 0.000 1.380 174 M HN -0.017 nan 8.290 nan 0.000 0.520 175 F N -0.391 119.580 119.950 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 -0.240 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 2.082 123.414 121.223 0.181 0.000 2.010 176 L HA -0.179 4.161 4.340 -0.000 0.000 0.219 176 L C -0.737 176.191 176.870 0.096 0.000 1.077 176 L CA 2.466 57.393 54.840 0.145 0.000 0.773 176 L CB -1.837 40.278 42.059 0.093 0.000 0.892 176 L HN -0.067 nan 8.230 nan 0.000 0.436 177 P HA -0.291 nan 4.420 nan 0.000 0.219 177 P C 1.544 178.857 177.300 0.021 0.000 1.161 177 P CA 2.595 65.698 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 -1.766 121.075 122.820 0.034 0.000 1.969 178 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 178 A C 2.050 179.665 177.584 0.051 0.000 1.169 178 A CA 2.107 54.172 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 0.387 114.986 114.554 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 1.925 64.058 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 0.775 121.210 120.400 0.058 0.000 2.127 180 K HA -0.299 4.021 4.320 -0.000 0.000 0.222 180 K C 2.134 178.747 176.600 0.022 0.000 1.034 180 K CA 2.255 58.569 56.287 0.046 0.000 0.955 180 K CB -0.508 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 0.724 119.434 118.700 0.018 0.000 2.062 181 N HA -0.107 4.633 4.740 -0.000 0.000 0.191 181 N C 2.034 177.545 175.510 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 0.150 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 -1.069 40.980 42.059 -0.017 0.000 0.942 182 L HN 0.206 nan 8.230 nan 0.000 0.451 183 L N 0.906 122.113 121.223 -0.028 0.000 2.544 183 L HA -0.021 4.319 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 -1.067 117.626 118.700 -0.012 0.000 1.862 184 N HA -0.046 4.694 4.740 -0.000 0.000 0.235 184 N C 0.405 175.915 175.510 0.000 0.000 1.398 184 N CA -0.137 52.910 53.050 -0.005 0.000 0.779 184 N CB 0.549 39.037 38.487 0.001 0.000 1.086 184 N HN 0.280 nan 8.380 nan 0.000 0.490 185 E N 1.099 121.300 120.200 0.001 0.000 2.492 185 E HA -0.043 4.307 4.350 -0.000 0.000 0.266 185 E C 0.829 177.439 176.600 0.017 0.000 1.187 185 E CA 0.846 57.254 56.400 0.013 0.000 1.036 185 E CB 0.617 30.327 29.700 0.016 0.000 0.994 185 E HN 0.168 nan 8.360 nan 0.000 0.468 186 K N 1.020 121.442 120.400 0.038 0.000 2.367 186 K HA 0.095 4.415 4.320 -0.000 0.000 0.198 186 K C 0.127 176.796 176.600 0.115 0.000 1.132 186 K CA 0.034 56.358 56.287 0.062 0.000 0.941 186 K CB 0.152 32.687 32.500 0.059 0.000 1.052 186 K HN 0.621 nan 8.250 nan 0.000 0.507 187 N N 0.987 119.752 118.700 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 53.000 53.050 0.154 0.000 0.952 187 N CB 0.497 39.048 38.487 0.107 0.000 1.081 187 N HN 0.260 nan 8.380 nan 0.000 0.480 188 H N 3.288 122.353 119.070 -0.010 0.000 2.255 188 H HA -0.235 4.321 4.556 -0.000 0.000 0.290 188 H C 1.941 177.281 175.328 0.020 0.000 1.087 188 H CA 1.537 57.551 56.048 -0.057 0.000 1.213 188 H CB -0.342 29.266 29.762 -0.256 0.000 1.349 188 H HN 0.829 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 2.572 47.735 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 2.391 64.736 62.300 0.074 0.000 1.032 190 V CB -1.084 30.773 31.823 0.058 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 2.851 57.698 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 -0.522 118.535 119.070 -0.021 0.000 2.257 192 H HA -0.204 4.352 4.556 -0.000 0.000 0.292 192 H C 2.191 177.517 175.328 -0.003 0.000 1.075 192 H CA 3.020 59.064 56.048 -0.007 0.000 1.212 192 H CB -0.676 29.095 29.762 0.015 0.000 1.354 192 H HN 0.662 nan 8.280 nan 0.000 0.497 193 T N -0.697 114.036 114.554 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 2.868 65.079 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 1.607 117.338 115.700 0.053 0.000 2.426 194 S HA -0.215 4.255 4.470 -0.000 0.000 0.253 194 S C 2.145 176.730 174.600 -0.027 0.000 1.104 194 S CA 1.712 59.917 58.200 0.010 0.000 1.158 194 S CB -1.380 61.819 63.200 -0.002 0.000 1.043 194 S HN 0.483 nan 8.310 nan 0.000 0.443 195 V N 2.458 122.343 119.914 -0.049 0.000 2.221 195 V HA -0.250 3.870 4.120 -0.000 0.000 0.244 195 V C 2.556 178.608 176.094 -0.071 0.000 1.043 195 V CA 2.067 64.309 62.300 -0.095 0.000 0.996 195 V CB -1.417 30.303 31.823 -0.172 0.000 0.636 195 V HN 0.575 nan 8.190 nan 0.000 0.454 196 V N -0.699 119.183 119.914 -0.054 0.000 2.363 196 V HA -0.302 3.818 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 30.634 31.823 0.046 0.000 0.659 196 V HN 0.471 nan 8.190 nan 0.000 0.455 197 L N 0.216 121.435 121.223 -0.007 0.000 1.963 197 L HA -0.202 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 2.798 57.628 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 0.394 nan 8.230 nan 0.000 0.435 198 L N -0.563 120.629 121.223 -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 2.188 56.981 54.840 -0.079 0.000 0.758 198 L CB -1.163 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 -0.032 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 64.204 62.100 -0.021 0.000 1.173 199 T CB -0.364 68.485 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 1.199 57.592 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 -0.262 119.346 119.600 0.013 0.000 2.073 201 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 201 M C 1.248 177.582 176.300 0.058 0.000 1.070 201 M CA 0.973 56.301 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 2.803 122.149 119.300 0.077 0.000 3.849 202 C HA 0.007 4.467 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 -2.160 25.619 27.740 0.066 0.000 1.363 202 C HN 0.347 nan 8.230 nan 0.000 0.633 203 E N 1.011 121.221 120.200 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 0.301 30.000 29.700 -0.002 0.000 1.076 203 E HN 0.615 nan 8.360 nan 0.000 0.462 204 R N 0.242 120.749 120.500 0.012 0.000 2.912 204 R HA 0.209 4.549 4.340 -0.000 0.000 0.278 204 R C 0.717 177.025 176.300 0.012 0.000 1.533 204 R CA -0.093 56.014 56.100 0.011 0.000 1.061 204 R CB 1.023 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 2.323 118.034 115.700 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 60.112 58.200 0.029 0.000 1.176 205 S CB -0.880 62.335 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 64.389 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 -0.210 0.000 0.999 207 D CA 1.130 55.025 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 0.176 119.754 119.600 -0.037 0.000 2.352 208 M HA -0.253 4.227 4.480 -0.000 0.000 0.260 208 M C 2.422 178.832 176.300 0.185 0.000 1.068 208 M CA 1.472 56.830 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 -0.483 120.821 121.223 0.135 0.000 2.064 209 L HA -0.314 4.026 4.340 -0.000 0.000 0.216 209 L C 2.615 179.500 176.870 0.023 0.000 1.077 209 L CA 1.563 56.418 54.840 0.024 0.000 0.766 209 L CB -0.810 41.201 42.059 -0.081 0.000 0.890 209 L HN 0.467 nan 8.230 nan 0.000 0.435 210 A N -0.433 122.352 122.820 -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 1.988 53.975 52.037 -0.083 0.000 0.621 210 A CB -0.926 17.935 19.000 -0.232 0.000 0.841 210 A HN 0.491 nan 8.150 nan 0.000 0.446 211 H N -1.745 117.387 119.070 0.102 0.000 2.389 211 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 211 H C 1.895 177.310 175.328 0.146 0.000 1.081 211 H CA 0.843 56.946 56.048 0.091 0.000 1.345 211 H CB -1.019 28.776 29.762 0.055 0.000 1.393 211 H HN 0.586 nan 8.280 nan 0.000 0.520 212 F N 2.291 122.297 119.950 0.094 0.000 2.070 212 F HA -0.393 4.134 4.527 -0.000 0.000 0.298 212 F C 2.724 178.546 175.800 0.038 0.000 1.189 212 F CA 1.872 59.899 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 0.311 121.025 120.500 0.357 0.000 2.105 213 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 213 R C 1.820 178.201 176.300 0.134 0.000 1.135 213 R CA 1.568 57.764 56.100 0.159 0.000 0.967 213 R CB -0.392 29.914 30.300 0.009 0.000 0.861 213 R HN 0.400 nan 8.270 nan 0.000 0.442 214 K N 0.846 121.331 120.400 0.141 0.000 2.057 214 K HA -0.034 4.286 4.320 -0.000 0.000 0.197 214 K C 1.899 178.557 176.600 0.096 0.000 1.055 214 K CA 0.650 57.004 56.287 0.111 0.000 1.028 214 K CB -0.415 32.164 32.500 0.133 0.000 1.289 214 K HN -0.037 nan 8.250 nan 0.000 0.462 215 L N 1.841 123.116 121.223 0.087 0.000 2.302 215 L HA -0.282 4.058 4.340 -0.000 0.000 0.218 215 L C 2.280 179.169 176.870 0.032 0.000 1.100 215 L CA 0.597 55.463 54.840 0.043 0.000 0.774 215 L CB -1.116 40.948 42.059 0.009 0.000 0.896 215 L HN 0.237 nan 8.230 nan 0.000 0.439 216 V N 0.093 120.040 119.914 0.054 0.000 2.226 216 V HA -0.285 3.835 4.120 -0.000 0.000 0.254 216 V C 0.317 176.421 176.094 0.018 0.000 1.065 216 V CA 2.793 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 0.394 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 1.803 64.913 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 -0.190 119.613 119.800 0.005 0.000 2.002 218 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 218 Q C 2.103 178.092 176.000 -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 27.371 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 1.700 56.516 54.840 -0.039 0.000 0.785 219 L CB -1.044 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 -0.257 119.643 119.914 -0.024 0.000 2.217 220 V HA -0.393 3.727 4.120 -0.000 0.000 0.248 220 V C 2.510 178.592 176.094 -0.020 0.000 1.050 220 V CA 2.365 64.653 62.300 -0.020 0.000 1.007 220 V CB -0.885 30.932 31.823 -0.010 0.000 0.639 220 V HN 0.443 nan 8.190 nan 0.000 0.452 221 R N -0.258 120.233 120.500 -0.014 0.000 2.159 221 R HA -0.250 4.090 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 2.408 58.501 56.100 -0.012 0.000 0.951 221 R CB -0.853 29.442 30.300 -0.008 0.000 0.876 221 R HN 0.515 nan 8.270 nan 0.000 0.440 222 I N 0.498 121.049 120.570 -0.033 0.000 2.052 222 I HA -0.341 3.829 4.170 -0.000 0.000 0.235 222 I C 2.498 178.584 176.117 -0.052 0.000 1.046 222 I CA 1.226 62.495 61.300 -0.051 0.000 1.308 222 I CB -0.616 37.341 38.000 -0.072 0.000 1.031 222 I HN 0.139 nan 8.210 nan 0.000 0.395 223 L N 1.340 122.532 121.223 -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 31.830 32.500 -0.004 0.000 0.731 224 K HN 0.587 nan 8.250 nan 0.000 0.450 225 N N 0.364 119.063 118.700 -0.002 0.000 2.106 225 N HA -0.259 4.481 4.740 -0.000 0.000 0.200 225 N C 1.716 177.236 175.510 0.017 0.000 1.014 225 N CA 2.663 55.718 53.050 0.008 0.000 0.891 225 N CB -0.482 38.006 38.487 0.001 0.000 1.069 225 N HN 0.338 nan 8.380 nan 0.000 0.490 226 L N -0.002 121.225 121.223 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 1.738 56.592 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 -1.649 114.078 115.700 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 -0.355 57.877 58.200 0.054 0.000 0.855 229 S CB 1.721 64.948 63.200 0.045 0.000 1.136 229 S HN 0.719 nan 8.310 nan 0.000 0.484 230 G N 0.292 109.138 108.800 0.076 0.000 3.087 230 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.680 230 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.680 230 G C -0.823 174.158 174.900 0.134 0.000 1.626 230 G CA 0.061 45.218 45.100 0.095 0.000 1.157 230 G HN 1.737 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 -0.652 57.468 58.100 0.033 0.000 1.215 231 Y CB 1.856 40.328 38.460 0.020 0.000 1.221 231 Y HN 0.677 nan 8.280 nan 0.000 0.486 232 S N 7.335 122.528 115.700 -0.846 0.000 2.524 232 S HA 0.234 4.704 4.470 -0.000 0.000 0.227 232 S C -2.232 171.946 174.600 -0.702 0.000 1.304 232 S CA -0.967 56.859 58.200 -0.623 0.000 1.185 232 S CB 1.329 64.406 63.200 -0.205 0.000 1.104 232 S HN 0.639 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 1.179 64.051 63.100 -0.380 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 1.418 177.676 176.600 -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 -0.354 118.632 119.070 -0.140 0.000 2.657 235 H HA 0.075 4.631 4.556 -0.000 0.000 0.262 235 H C 0.545 175.894 175.328 0.036 0.000 0.965 235 H CA -0.134 55.889 56.048 -0.043 0.000 1.184 235 H CB -0.238 29.482 29.762 -0.069 0.000 1.443 235 H HN 0.083 nan 8.280 nan 0.000 0.462 236 D N 1.501 121.957 120.400 0.092 0.000 2.461 236 D HA 0.002 4.642 4.640 -0.000 0.000 0.231 236 D C -0.134 176.264 176.300 0.163 0.000 1.208 236 D CA 0.614 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 2.387 122.386 119.914 0.142 0.000 2.675 237 V HA 0.214 4.334 4.120 -0.000 0.000 0.266 237 V C 0.131 176.272 176.094 0.078 0.000 0.974 237 V CA -0.246 62.121 62.300 0.110 0.000 0.890 237 V CB 0.612 32.486 31.823 0.086 0.000 1.055 237 V HN 0.807 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 1.401 176.034 174.600 0.055 0.000 1.006 238 S CA 1.369 59.602 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 -0.679 108.180 108.800 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 0.008 174.973 174.900 0.109 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 0.226 176.401 176.117 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 0.110 nan 8.210 nan 0.000 0.435 241 S N 0.732 116.491 115.700 0.099 0.000 2.537 241 S HA 0.236 4.706 4.470 -0.000 0.000 0.275 241 S C -0.163 174.511 174.600 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 4.519 4.640 -0.000 0.000 0.217 242 D C -1.612 174.735 176.300 0.078 0.000 1.233 242 D CA 0.226 54.369 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 -1.418 118.597 119.950 0.109 0.000 2.041 244 F HA -0.265 4.262 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 -1.999 37.136 39.000 0.225 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 -1.216 118.581 119.800 -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 2.635 58.418 55.803 -0.034 0.000 0.857 246 Q CB -0.474 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 0.892 120.793 119.914 -0.021 0.000 2.232 247 V HA -0.342 3.778 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 1.919 64.210 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 0.383 nan 8.190 nan 0.000 0.459 248 R N -0.439 120.038 120.500 -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 2.100 58.138 56.100 -0.104 0.000 0.969 248 R CB -1.284 28.854 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 -0.129 0.000 2.044 249 I HA -0.334 3.836 4.170 -0.000 0.000 0.234 249 I C 2.654 178.720 176.117 -0.085 0.000 1.031 249 I CA 1.462 62.696 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 0.156 nan 8.210 nan 0.000 0.392 250 L N -0.005 121.176 121.223 -0.071 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 2.392 57.193 54.840 -0.065 0.000 0.810 250 L CB -0.981 41.044 42.059 -0.058 0.000 0.909 250 L HN 0.323 nan 8.230 nan 0.000 0.444 251 R N 0.338 120.796 120.500 -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 2.458 58.517 56.100 -0.068 0.000 0.915 251 R CB -0.753 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 0.579 121.756 121.223 -0.076 0.000 2.021 252 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 252 L C 2.408 179.223 176.870 -0.091 0.000 1.074 252 L CA 1.764 56.557 54.840 -0.079 0.000 0.760 252 L CB -0.308 41.702 42.059 -0.082 0.000 0.889 252 L HN 0.410 nan 8.230 nan 0.000 0.433 253 L N -0.801 120.369 121.223 -0.089 0.000 1.990 253 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 253 L C 2.753 179.555 176.870 -0.114 0.000 1.072 253 L CA 1.837 56.619 54.840 -0.096 0.000 0.755 253 L CB -1.007 41.006 42.059 -0.076 0.000 0.889 253 L HN 0.364 nan 8.230 nan 0.000 0.432 254 R N 0.867 121.309 120.500 -0.096 0.000 2.196 254 R HA -0.289 4.051 4.340 -0.000 0.000 0.227 254 R C 2.368 178.600 176.300 -0.114 0.000 1.108 254 R CA 2.595 58.637 56.100 -0.096 0.000 0.884 254 R CB -0.759 29.490 30.300 -0.084 0.000 0.839 254 R HN 0.190 nan 8.270 nan 0.000 0.431 255 I N 1.224 121.733 120.570 -0.102 0.000 2.181 255 I HA -0.313 3.857 4.170 -0.000 0.000 0.247 255 I C 2.257 178.276 176.117 -0.163 0.000 1.081 255 I CA 1.576 62.814 61.300 -0.103 0.000 1.340 255 I CB -0.290 37.665 38.000 -0.075 0.000 1.036 255 I HN 0.386 nan 8.210 nan 0.000 0.417 256 L N -0.241 120.849 121.223 -0.222 0.000 1.994 256 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 256 L C 2.160 178.636 176.870 -0.656 0.000 1.071 256 L CA 1.500 56.084 54.840 -0.427 0.000 0.745 256 L CB -1.217 40.607 42.059 -0.392 0.000 0.892 256 L HN 0.415 nan 8.230 nan 0.000 0.431 257 G N -1.064 107.486 108.800 -0.416 0.000 3.234 257 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.221 257 G HA3 -0.091 3.869 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 -0.155 44.763 45.100 -0.303 0.000 0.909 257 G HN 0.111 nan 8.290 nan 0.000 0.510 258 R N 1.099 121.500 120.500 -0.165 0.000 2.292 258 R HA -0.174 4.166 4.340 -0.000 0.000 0.223 258 R C 0.253 176.545 176.300 -0.014 0.000 1.088 258 R CA 1.739 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 1.001 119.722 118.700 0.035 0.000 2.569 259 N HA 0.238 4.978 4.740 -0.000 0.000 0.254 259 N C -1.664 173.923 175.510 0.128 0.000 1.004 259 N CA -0.319 52.768 53.050 0.062 0.000 0.904 259 N CB 1.522 40.041 38.487 0.054 0.000 1.165 259 N HN 0.347 nan 8.380 nan 0.000 0.513 260 D N 0.424 120.900 120.400 0.126 0.000 2.842 260 D HA 0.140 4.780 4.640 -0.000 0.000 0.248 260 D C -0.562 175.814 176.300 0.127 0.000 1.140 260 D CA -0.348 53.761 54.000 0.181 0.000 0.728 260 D CB 0.988 42.062 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 0.008 4.648 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 0.536 54.576 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 0.865 121.313 120.400 0.081 0.000 2.355 262 D HA -0.248 4.392 4.640 -0.000 0.000 0.192 262 D C 2.144 178.525 176.300 0.134 0.000 1.014 262 D CA 2.455 56.506 54.000 0.085 0.000 0.862 262 D CB -0.547 40.285 40.800 0.053 0.000 0.986 262 D HN 0.241 nan 8.370 nan 0.000 0.456 263 S N 1.200 117.058 115.700 0.262 0.000 2.427 263 S HA -0.249 4.221 4.470 -0.000 0.000 0.231 263 S C 2.240 176.891 174.600 0.083 0.000 1.045 263 S CA 2.418 60.751 58.200 0.221 0.000 1.154 263 S CB -0.968 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 2.096 117.831 115.700 0.059 0.000 2.404 264 S HA -0.291 4.179 4.470 -0.000 0.000 0.230 264 S C 1.869 176.484 174.600 0.024 0.000 1.046 264 S CA 1.601 59.815 58.200 0.022 0.000 1.135 264 S CB -1.090 62.124 63.200 0.023 0.000 1.056 264 S HN 0.668 nan 8.310 nan 0.000 0.426 265 E N 0.993 121.213 120.200 0.033 0.000 2.279 265 E HA -0.247 4.103 4.350 -0.000 0.000 0.205 265 E C 1.692 178.306 176.600 0.024 0.000 1.028 265 E CA 1.101 57.516 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 -0.854 121.985 122.820 0.032 0.000 2.308 266 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 266 A C 1.680 179.274 177.584 0.016 0.000 1.216 266 A CA -0.003 52.051 52.037 0.028 0.000 0.864 266 A CB 0.181 19.207 19.000 0.043 0.000 0.902 266 A HN 0.168 nan 8.150 nan 0.000 0.499 267 M N -0.543 119.062 119.600 0.008 0.000 2.800 267 M HA 0.015 4.495 4.480 -0.000 0.000 0.257 267 M C 1.826 178.122 176.300 -0.007 0.000 1.309 267 M CA 0.916 56.213 55.300 -0.005 0.000 1.202 267 M CB -0.270 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 -0.258 4.482 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 2.169 55.215 53.050 -0.007 0.000 0.890 268 N CB -0.684 37.801 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 1.900 178.197 176.300 -0.004 0.000 0.980 269 D CA 1.155 55.154 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 1.824 122.391 120.570 -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 -0.357 37.636 38.000 -0.012 0.000 1.033 270 I HN -0.032 nan 8.210 nan 0.000 0.410 271 L N 0.689 121.904 121.223 -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 2.564 57.394 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 -1.031 118.768 119.800 -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 2.081 57.885 55.803 0.001 0.000 0.857 273 Q CB -0.557 28.182 28.738 0.002 0.000 0.926 273 Q HN 0.503 nan 8.270 nan 0.000 0.415 274 V N 1.022 120.937 119.914 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 2.025 64.327 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 -0.333 122.489 122.820 0.004 0.000 1.825 275 A HA -0.199 4.121 4.320 -0.000 0.000 0.214 275 A C 2.414 180.004 177.584 0.011 0.000 1.206 275 A CA 2.453 54.493 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 0.971 115.529 114.554 0.006 0.000 2.684 276 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 276 T C 1.451 176.160 174.700 0.014 0.000 1.036 276 T CA 1.782 63.888 62.100 0.009 0.000 1.148 276 T CB -0.534 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 0.958 119.667 118.700 0.014 0.000 2.515 277 N HA 0.066 4.806 4.740 -0.000 0.000 0.191 277 N C 0.040 175.564 175.510 0.022 0.000 1.182 277 N CA 0.341 53.402 53.050 0.017 0.000 0.879 277 N CB -0.028 38.469 38.487 0.016 0.000 0.984 277 N HN 0.376 nan 8.380 nan 0.000 0.453 278 T N 0.195 114.765 114.554 0.026 0.000 2.945 278 T HA 0.348 4.698 4.350 -0.000 0.000 0.286 278 T C -0.079 174.643 174.700 0.036 0.000 1.025 278 T CA -0.688 61.431 62.100 0.032 0.000 1.039 278 T CB 1.409 70.299 68.868 0.035 0.000 1.068 278 T HN -0.059 nan 8.240 nan 0.000 0.497 279 E N 1.232 121.452 120.200 0.034 0.000 2.194 279 E HA 0.271 4.621 4.350 -0.000 0.000 0.284 279 E C 0.552 177.174 176.600 0.037 0.000 1.035 279 E CA -0.156 56.263 56.400 0.031 0.000 0.836 279 E CB 0.516 30.230 29.700 0.024 0.000 1.070 279 E HN 0.499 nan 8.360 nan 0.000 0.401 280 T N 0.907 115.486 114.554 0.042 0.000 3.148 280 T HA -0.121 4.229 4.350 -0.000 0.000 0.253 280 T C 1.720 176.435 174.700 0.025 0.000 1.134 280 T CA 0.637 62.767 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 2.468 118.178 115.700 0.016 0.000 2.548 281 S HA -0.204 4.266 4.470 -0.000 0.000 0.252 281 S C 0.664 175.260 174.600 -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 1.635 122.029 120.400 -0.012 0.000 2.371 282 K HA 0.331 4.651 4.320 -0.000 0.000 0.251 282 K C 0.942 177.520 176.600 -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 33.791 32.500 -0.019 0.000 1.204 282 K HN 0.493 nan 8.250 nan 0.000 0.427 283 N N 1.915 120.579 118.700 -0.060 0.000 1.643 283 N HA -0.383 4.357 4.740 -0.000 0.000 0.123 283 N C 1.173 176.646 175.510 -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 0.323 nan 8.380 nan 0.000 1.360 284 V N 1.380 121.267 119.914 -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 65.456 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 -0.316 108.472 108.800 -0.021 0.000 2.628 285 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.217 285 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.217 285 G C 1.215 176.129 174.900 0.022 0.000 1.240 285 G CA 1.599 46.701 45.100 0.004 0.000 0.792 285 G HN 0.630 nan 8.290 nan 0.000 0.593 286 N N 1.318 120.022 118.700 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 2.080 55.129 53.050 -0.002 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 1.193 124.015 122.820 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 1.424 53.499 52.037 0.064 0.000 0.638 287 A CB -0.795 18.210 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 1.870 63.196 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 0.264 nan 8.210 nan 0.000 0.400 289 L N -0.234 121.073 121.223 0.141 0.000 1.971 289 L HA -0.297 4.043 4.340 -0.000 0.000 0.215 289 L C 2.511 179.524 176.870 0.239 0.000 1.072 289 L CA 1.929 56.883 54.840 0.190 0.000 0.758 289 L CB -1.597 40.643 42.059 0.301 0.000 0.889 289 L HN 0.226 nan 8.230 nan 0.000 0.433 290 Y N 0.856 121.292 120.300 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 -0.661 37.877 38.460 0.131 0.000 0.932 290 Y HN 0.334 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 59.056 56.400 -0.204 0.000 0.809 291 E CB -0.746 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 -1.308 113.212 114.554 -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 -1.145 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 2.214 122.090 119.914 -0.063 0.000 2.220 293 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 293 V C 2.818 178.850 176.094 -0.104 0.000 1.049 293 V CA 2.029 64.284 62.300 -0.075 0.000 1.003 293 V CB -1.068 30.721 31.823 -0.057 0.000 0.634 293 V HN 0.442 nan 8.190 nan 0.000 0.444 294 L N -0.259 120.861 121.223 -0.171 0.000 2.030 294 L HA -0.335 4.005 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 40.791 42.059 -0.271 0.000 0.895 294 L HN 0.437 nan 8.230 nan 0.000 0.439 295 T N 0.040 114.525 114.554 -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 63.793 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 0.693 121.225 120.570 -0.063 0.000 2.381 296 I HA -0.240 3.930 4.170 -0.000 0.000 0.255 296 I C 2.330 178.421 176.117 -0.044 0.000 1.140 296 I CA 1.030 62.300 61.300 -0.049 0.000 1.404 296 I CB -0.348 37.624 38.000 -0.047 0.000 1.075 296 I HN 0.284 nan 8.210 nan 0.000 0.433 297 M N -0.463 119.107 119.600 -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 1.571 56.848 55.300 -0.039 0.000 1.143 297 M CB -1.184 31.391 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 0.553 176.836 176.300 -0.029 0.000 0.968 298 D CA 0.669 54.649 54.000 -0.033 0.000 0.899 298 D CB 0.407 41.182 40.800 -0.040 0.000 0.907 298 D HN 0.311 nan 8.370 nan 0.000 0.514 299 I N 1.012 121.563 120.570 -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 -0.013 0.000 0.989 299 I CA -0.930 60.355 61.300 -0.025 0.000 1.173 299 I CB 1.768 39.746 38.000 -0.037 0.000 1.338 299 I HN -0.410 nan 8.210 nan 0.000 0.456 300 K N 4.001 124.401 120.400 -0.001 0.000 2.527 300 K HA 0.226 4.546 4.320 -0.000 0.000 0.278 300 K C -0.253 176.349 176.600 0.003 0.000 0.981 300 K CA 0.232 56.523 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 -0.233 115.468 115.700 0.002 0.000 2.614 301 S HA 0.047 4.517 4.470 -0.000 0.000 0.280 301 S C -1.177 173.424 174.600 0.001 0.000 1.111 301 S CA -1.435 56.766 58.200 0.001 0.000 0.847 301 S CB 0.589 63.786 63.200 -0.006 0.000 1.079 301 S HN 0.687 nan 8.310 nan 0.000 0.452 302 E N 1.296 121.497 120.200 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 0.215 29.916 29.700 0.001 0.000 0.915 302 E HN 0.783 nan 8.360 nan 0.000 0.487 303 S N 3.124 118.825 115.700 0.002 0.000 2.380 303 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 303 S C 1.931 176.531 174.600 0.000 0.000 1.043 303 S CA 1.046 59.248 58.200 0.002 0.000 1.038 303 S CB -0.984 62.219 63.200 0.005 0.000 0.872 303 S HN 0.753 nan 8.310 nan 0.000 0.456 304 G N 1.906 110.705 108.800 -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 1.059 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 0.709 121.928 121.223 -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 41.012 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 2.426 58.516 56.100 -0.017 0.000 0.953 306 R CB -0.619 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 1.270 121.178 119.914 -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 0.664 121.877 121.223 -0.017 0.000 1.978 308 L HA -0.225 4.115 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 2.537 57.361 54.840 -0.026 0.000 0.767 308 L CB -1.365 40.679 42.059 -0.024 0.000 0.890 308 L HN 0.291 nan 8.230 nan 0.000 0.434 309 A N 0.024 122.809 122.820 -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 2.767 54.752 52.037 -0.086 0.000 0.681 309 A CB -1.140 17.820 19.000 -0.066 0.000 0.842 309 A HN 0.507 nan 8.150 nan 0.000 0.468 310 I N 0.283 120.798 120.570 -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 1.993 63.225 61.300 -0.113 0.000 1.304 310 I CB -1.979 35.994 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 -0.156 0.000 1.005 311 N CA 1.350 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 0.879 121.319 120.570 -0.216 0.000 2.233 312 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 312 I C 2.177 177.917 176.117 -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 0.496 121.344 121.223 -0.626 0.000 2.012 313 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 313 L C 2.768 179.371 176.870 -0.446 0.000 1.073 313 L CA 1.933 56.348 54.840 -0.708 0.000 0.748 313 L CB -1.839 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 0.197 108.696 108.800 -0.503 0.000 2.529 314 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.219 314 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.219 314 G C 1.731 176.518 174.900 -0.190 0.000 1.177 314 G CA 1.194 45.962 45.100 -0.552 0.000 0.773 314 G HN 0.316 nan 8.290 nan 0.000 0.573 315 R N -0.345 120.057 120.500 -0.162 0.000 2.154 315 R HA -0.120 4.220 4.340 -0.000 0.000 0.248 315 R C 2.302 178.692 176.300 0.151 0.000 1.155 315 R CA 1.486 57.583 56.100 -0.005 0.000 0.979 315 R CB -0.395 29.887 30.300 -0.030 0.000 0.869 315 R HN 0.538 nan 8.270 nan 0.000 0.452 316 F N 0.515 120.437 119.950 -0.047 0.000 2.022 316 F HA -0.249 4.278 4.527 0.000 0.000 0.293 316 F C 2.383 178.164 175.800 -0.032 0.000 1.142 316 F CA 0.722 58.702 58.000 -0.033 0.000 1.177 316 F CB -0.447 38.532 39.000 -0.035 0.000 0.982 316 F HN -0.022 nan 8.300 nan 0.000 0.473 317 L N 0.533 121.874 121.223 0.198 0.000 2.143 317 L HA -0.342 3.998 4.340 -0.000 0.000 0.231 317 L C 2.032 178.943 176.870 0.068 0.000 1.106 317 L CA 1.578 56.472 54.840 0.089 0.000 0.827 317 L CB -1.370 40.711 42.059 0.036 0.000 0.915 317 L HN 0.318 nan 8.230 nan 0.000 0.448 318 L N -0.158 121.107 121.223 0.071 0.000 2.711 318 L HA -0.007 4.333 4.340 -0.000 0.000 0.242 318 L C 1.047 177.946 176.870 0.047 0.000 1.153 318 L CA -0.232 54.640 54.840 0.053 0.000 0.898 318 L CB -0.914 41.178 42.059 0.055 0.000 1.044 318 L HN 0.324 nan 8.230 nan 0.000 0.437 319 N N 1.036 119.766 118.700 0.050 0.000 2.520 319 N HA -0.022 4.718 4.740 -0.000 0.000 0.273 319 N C 0.767 176.278 175.510 0.002 0.000 1.155 319 N CA -0.018 53.046 53.050 0.022 0.000 0.967 319 N CB 0.800 39.284 38.487 -0.004 0.000 1.092 319 N HN 0.121 nan 8.380 nan 0.000 0.457 320 N N 2.034 120.733 118.700 -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 1.003 177.278 176.300 -0.042 0.000 1.113 321 D CA -0.161 53.817 54.000 -0.036 0.000 0.871 321 D CB 1.531 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 1.654 122.033 120.400 -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 56.724 56.287 -0.031 0.000 0.967 322 K CB -0.269 32.208 32.500 -0.039 0.000 0.515 322 K HN 0.346 nan 8.250 nan 0.000 0.869 323 N N 0.201 118.863 118.700 -0.063 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 0.447 nan 8.380 nan 0.000 0.474 324 I N 1.225 121.704 120.570 -0.152 0.000 3.622 324 I HA -0.484 3.686 4.170 -0.000 0.000 0.171 324 I C 2.469 178.504 176.117 -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 -0.346 0.000 0.803 324 I HN 0.403 nan 8.210 nan 0.000 0.300 325 R N -0.873 119.594 120.500 -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 2.592 58.711 56.100 0.032 0.000 0.965 325 R CB -0.953 29.370 30.300 0.039 0.000 0.889 325 R HN 0.434 nan 8.270 nan 0.000 0.448 326 Y N 1.508 121.768 120.300 -0.067 0.000 1.978 326 Y HA -0.366 4.184 4.550 0.000 0.000 0.247 326 Y C 2.503 178.372 175.900 -0.051 0.000 1.102 326 Y CA 2.033 60.102 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 -0.141 119.726 119.914 -0.078 0.000 2.277 327 V HA -0.379 3.741 4.120 -0.000 0.000 0.253 327 V C 2.508 178.568 176.094 -0.058 0.000 1.067 327 V CA 2.264 64.442 62.300 -0.203 0.000 1.047 327 V CB -2.392 29.101 31.823 -0.549 0.000 0.649 327 V HN 0.611 nan 8.190 nan 0.000 0.447 328 A N 1.244 124.086 122.820 0.036 0.000 1.906 328 A HA -0.265 4.055 4.320 -0.000 0.000 0.222 328 A C 2.272 179.882 177.584 0.043 0.000 1.282 328 A CA 3.013 55.146 52.037 0.160 0.000 0.675 328 A CB -0.889 18.230 19.000 0.197 0.000 0.838 328 A HN 0.610 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 -0.168 4.172 4.340 -0.000 0.000 0.210 329 L C 2.750 179.570 176.870 -0.082 0.000 1.072 329 L CA 1.913 56.718 54.840 -0.059 0.000 0.749 329 L CB -1.617 40.395 42.059 -0.078 0.000 0.889 329 L HN 0.445 nan 8.230 nan 0.000 0.432 330 T N 0.447 114.893 114.554 -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 2.904 64.911 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 2.128 117.849 115.700 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 1.709 59.950 58.200 0.067 0.000 1.062 331 S CB -1.112 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 -0.176 4.164 4.340 -0.000 0.000 0.220 332 L C 2.377 179.246 176.870 -0.001 0.000 1.081 332 L CA 1.831 56.667 54.840 -0.007 0.000 0.780 332 L CB -0.974 41.071 42.059 -0.023 0.000 0.893 332 L HN 0.334 nan 8.230 nan 0.000 0.438 333 L N -0.738 120.484 121.223 -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 1.872 56.719 54.840 0.012 0.000 0.751 333 L CB -1.014 41.049 42.059 0.008 0.000 0.889 333 L HN 0.204 nan 8.230 nan 0.000 0.432 334 K N -0.899 119.511 120.400 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 -0.105 62.007 62.100 0.021 0.000 1.010 335 T CB 0.087 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 2.862 179.042 176.094 0.144 0.000 1.063 336 V CA 2.406 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 -0.958 118.898 119.800 0.094 0.000 2.437 337 Q HA -0.106 4.234 4.340 -0.000 0.000 0.210 337 Q C 1.723 177.757 176.000 0.058 0.000 0.972 337 Q CA 1.637 57.484 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 0.863 115.454 114.554 0.063 0.000 3.156 338 T HA 0.013 4.363 4.350 -0.000 0.000 0.236 338 T C 0.595 175.334 174.700 0.065 0.000 0.978 338 T CA 0.463 62.592 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 0.891 121.330 120.400 0.066 0.000 2.722 339 D HA 0.163 4.803 4.640 -0.000 0.000 0.239 339 D C 0.807 177.158 176.300 0.086 0.000 1.249 339 D CA -0.016 54.021 54.000 0.063 0.000 0.830 339 D CB 0.270 41.087 40.800 0.029 0.000 1.025 339 D HN 0.348 nan 8.370 nan 0.000 0.486 340 H N 2.414 121.492 119.070 0.013 0.000 2.394 340 H HA -0.287 4.269 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 2.599 58.657 56.048 0.016 0.000 1.140 340 H CB -0.055 29.720 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 1.663 177.169 175.510 -0.005 0.000 1.005 341 N CA 1.658 54.739 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 -0.975 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 -2.306 117.600 119.914 -0.013 0.000 2.407 343 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 343 V C 2.096 178.194 176.094 0.007 0.000 1.055 343 V CA 2.066 64.370 62.300 0.007 0.000 1.049 343 V CB -1.322 30.482 31.823 -0.033 0.000 0.662 343 V HN 0.471 nan 8.190 nan 0.000 0.455 344 Q N 0.736 120.483 119.800 -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 1.965 57.706 55.803 -0.103 0.000 0.910 344 Q CB -0.719 27.936 28.738 -0.139 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 0.850 176.907 176.300 -0.404 0.000 1.130 345 R CA 0.736 56.720 56.100 -0.193 0.000 1.075 345 R CB -0.317 29.863 30.300 -0.202 0.000 0.824 345 R HN 0.527 nan 8.270 nan 0.000 0.484 346 H N -1.433 117.603 119.070 -0.057 0.000 3.876 346 H HA 0.079 4.635 4.556 -0.000 0.000 0.262 346 H C 1.691 176.988 175.328 -0.051 0.000 1.158 346 H CA 0.153 56.171 56.048 -0.049 0.000 1.170 346 H CB 0.565 30.298 29.762 -0.048 0.000 1.528 346 H HN 0.174 nan 8.280 nan 0.000 0.689 347 R N 0.947 121.470 120.500 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 -0.921 29.360 30.300 -0.032 0.000 0.875 347 R HN 0.012 nan 8.270 nan 0.000 0.437 348 S N 0.427 116.115 115.700 -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 3.078 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 -1.036 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 -1.225 118.641 119.914 -0.080 0.000 2.439 351 V HA -0.351 3.769 4.120 -0.000 0.000 0.253 351 V C 2.106 178.130 176.094 -0.115 0.000 1.074 351 V CA 2.423 64.644 62.300 -0.132 0.000 1.076 351 V CB -1.030 30.723 31.823 -0.118 0.000 0.664 351 V HN 0.518 nan 8.190 nan 0.000 0.461 352 D N -0.256 120.102 120.400 -0.069 0.000 2.315 352 D HA -0.169 4.471 4.640 -0.000 0.000 0.211 352 D C 1.931 178.204 176.300 -0.046 0.000 0.977 352 D CA 1.796 55.764 54.000 -0.052 0.000 0.894 352 D CB -0.055 40.726 40.800 -0.032 0.000 0.910 352 D HN 0.678 nan 8.370 nan 0.000 0.490 353 C N -0.004 119.264 119.300 -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 26.652 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 1.539 56.295 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 -0.247 120.178 120.400 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 0.508 120.923 120.400 0.024 0.000 2.329 356 D HA 0.069 4.709 4.640 -0.000 0.000 0.246 356 D C 0.505 176.805 176.300 -0.000 0.000 1.111 356 D CA -0.161 53.846 54.000 0.011 0.000 0.941 356 D CB 1.109 41.916 40.800 0.010 0.000 1.169 356 D HN -0.030 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 0.550 177.405 176.870 -0.024 0.000 1.192 357 L CA 0.065 54.893 54.840 -0.020 0.000 0.984 357 L CB -0.008 42.041 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 2.298 43.092 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 0.014 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 0.205 0.000 1.064 359 V CA 2.433 64.784 62.300 0.084 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 0.066 115.881 115.700 0.191 0.000 2.401 360 S HA -0.294 4.176 4.470 -0.000 0.000 0.236 360 S C 1.745 176.524 174.600 0.299 0.000 1.058 360 S CA 2.431 60.800 58.200 0.282 0.000 1.151 360 S CB -0.657 62.708 63.200 0.275 0.000 1.049 360 S HN 0.519 nan 8.310 nan 0.000 0.432 361 I N 1.632 122.354 120.570 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 2.055 178.781 176.600 0.210 0.000 1.044 362 K CA 2.127 58.472 56.287 0.096 0.000 1.013 362 K CB -0.780 31.703 32.500 -0.028 0.000 0.736 362 K HN 0.262 nan 8.250 nan 0.000 0.446 363 R N 0.715 121.489 120.500 0.457 0.000 2.264 363 R HA -0.272 4.068 4.340 -0.000 0.000 0.223 363 R C 2.402 178.788 176.300 0.145 0.000 1.090 363 R CA 2.443 58.775 56.100 0.386 0.000 0.857 363 R CB -0.282 30.183 30.300 0.276 0.000 0.835 363 R HN 0.100 nan 8.270 nan 0.000 0.428 364 R N -0.141 120.423 120.500 0.107 0.000 2.227 364 R HA -0.288 4.052 4.340 -0.000 0.000 0.246 364 R C 2.157 178.456 176.300 -0.002 0.000 1.119 364 R CA 2.271 58.388 56.100 0.029 0.000 0.930 364 R CB -1.387 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 0.676 123.492 122.820 -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 -0.997 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 1.995 178.154 176.300 -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 0.099 0.000 1.073 367 E CA 2.535 58.981 56.400 0.075 0.000 0.941 367 E CB -0.844 28.894 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 2.805 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 -0.245 115.444 115.700 -0.017 0.000 2.444 369 S HA -0.416 4.054 4.470 -0.000 0.000 0.274 369 S C 1.756 176.414 174.600 0.095 0.000 1.130 369 S CA 2.275 60.460 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 0.571 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 -0.327 4.200 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 1.099 59.091 58.000 -0.013 0.000 1.214 370 F CB -0.994 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 1.689 179.327 177.584 0.091 0.000 1.180 371 A CA 2.136 54.246 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 0.702 177.544 176.870 -0.046 0.000 1.146 372 L CA 0.181 55.019 54.840 -0.004 0.000 0.858 372 L CB -0.571 41.452 42.059 -0.059 0.000 0.969 372 L HN 0.084 nan 8.230 nan 0.000 0.451 373 V N 1.551 121.415 119.914 -0.082 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 0.429 62.607 62.300 -0.204 0.000 1.160 373 V CB -0.294 31.382 31.823 -0.245 0.000 0.901 373 V HN 0.404 nan 8.190 nan 0.000 0.481 374 N N 3.474 122.033 118.700 -0.235 0.000 2.818 374 N HA 0.438 5.178 4.740 -0.000 0.000 0.312 374 N C 1.057 176.567 175.510 -0.001 0.000 1.368 374 N CA 0.388 53.368 53.050 -0.117 0.000 0.817 374 N CB 1.138 39.648 38.487 0.038 0.000 1.116 374 N HN 0.544 nan 8.380 nan 0.000 0.519 375 G N 0.441 109.343 108.800 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 0.038 0.000 1.251 375 G CA 0.243 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 1.419 120.131 118.700 0.020 0.000 2.659 376 N HA -0.110 4.630 4.740 -0.000 0.000 0.194 376 N C 1.222 176.708 175.510 -0.041 0.000 1.140 376 N CA 1.323 54.361 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 0.263 118.939 118.700 -0.040 0.000 2.244 377 N HA 0.048 4.788 4.740 -0.000 0.000 0.189 377 N C 1.419 176.887 175.510 -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 1.332 121.852 120.570 -0.083 0.000 4.215 378 I HA -0.536 3.634 4.170 -0.000 0.000 0.124 378 I C 2.319 178.387 176.117 -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 36.829 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 -0.257 4.083 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 1.323 110.117 108.800 -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 1.504 46.617 45.100 0.022 0.000 0.812 380 G HN 0.186 nan 8.290 nan 0.000 0.628 381 M N -0.322 119.302 119.600 0.040 0.000 2.124 381 M HA -0.226 4.254 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 2.006 57.341 55.300 0.058 0.000 1.085 381 M CB -1.372 31.256 32.600 0.046 0.000 1.320 381 M HN 0.396 nan 8.290 nan 0.000 0.404 382 M N 0.628 120.332 119.600 0.173 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 32.113 32.600 0.435 0.000 1.307 382 M HN 0.128 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 1.983 178.686 176.600 0.172 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 0.584 nan 8.250 nan 0.000 0.454 384 E N 0.251 120.535 120.200 0.140 0.000 2.076 384 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 384 E C 2.218 178.940 176.600 0.202 0.000 0.979 384 E CA 0.653 57.133 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 0.269 nan 8.360 nan 0.000 0.454 385 L N 0.375 121.702 121.223 0.174 0.000 2.013 385 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 385 L C 2.447 179.501 176.870 0.306 0.000 1.073 385 L CA 1.133 56.105 54.840 0.218 0.000 0.753 385 L CB -0.603 41.595 42.059 0.231 0.000 0.890 385 L HN 0.257 nan 8.230 nan 0.000 0.432 386 L N -1.512 119.854 121.223 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 0.136 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 -0.426 4.124 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 2.067 60.225 58.100 0.095 0.000 1.120 387 Y CB -0.598 37.918 38.460 0.094 0.000 0.955 387 Y HN 0.087 nan 8.280 nan 0.000 0.495 388 F N 0.234 120.323 119.950 0.231 0.000 2.021 388 F HA -0.372 4.155 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 2.154 60.224 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 0.206 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 2.627 57.367 54.840 -0.167 0.000 0.799 389 L CB -1.123 40.967 42.059 0.051 0.000 0.900 389 L HN 0.340 nan 8.230 nan 0.000 0.442 390 D N -1.050 119.238 120.400 -0.186 0.000 2.133 390 D HA -0.205 4.435 4.640 -0.000 0.000 0.192 390 D C 2.187 178.331 176.300 -0.261 0.000 1.001 390 D CA 2.059 55.935 54.000 -0.207 0.000 0.844 390 D CB -0.267 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 4.483 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 -0.295 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 2.871 121.898 119.300 -0.455 0.000 2.893 392 C HA 0.139 4.599 4.460 -0.000 0.000 0.388 392 C C 1.016 175.821 174.990 -0.309 0.000 1.244 392 C CA -0.189 58.523 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 0.521 nan 8.230 nan 0.000 0.717 393 E N 1.536 121.578 120.200 -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 -1.878 54.444 56.400 -0.130 0.000 0.868 393 E CB 0.500 30.137 29.700 -0.105 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 1.874 64.972 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 -1.039 119.283 120.200 0.204 0.000 2.240 395 E HA -0.271 4.079 4.350 -0.000 0.000 0.236 395 E C 1.986 178.646 176.600 0.100 0.000 1.085 395 E CA 1.874 58.392 56.400 0.197 0.000 0.979 395 E CB -1.766 28.136 29.700 0.338 0.000 0.845 395 E HN 0.300 nan 8.360 nan 0.000 0.483 396 F N 1.570 121.517 119.950 -0.006 0.000 2.039 396 F HA -0.076 4.451 4.527 -0.000 0.000 0.294 396 F C 2.598 178.380 175.800 -0.029 0.000 1.130 396 F CA 1.225 59.227 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 0.397 120.822 120.400 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 0.288 nan 8.250 nan 0.000 0.451 398 A N 2.144 124.983 122.820 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 2.585 54.715 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 1.633 55.672 54.000 0.065 0.000 0.840 399 D CB -0.549 40.247 40.800 -0.008 0.000 0.947 399 D HN 0.478 nan 8.370 nan 0.000 0.452 400 C N 1.217 120.646 119.300 0.215 0.000 2.413 400 C HA -0.133 4.327 4.460 -0.000 0.000 0.276 400 C C 2.931 178.131 174.990 0.350 0.000 1.236 400 C CA 0.771 60.004 59.018 0.359 0.000 1.735 400 C CB -1.044 26.893 27.740 0.329 0.000 2.031 400 C HN 0.399 nan 8.230 nan 0.000 0.474 401 A N -0.023 122.938 122.820 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 1.987 176.626 174.600 0.066 0.000 1.064 402 S CA 2.403 60.592 58.200 -0.017 0.000 1.088 402 S CB -1.079 62.114 63.200 -0.012 0.000 0.939 402 S HN 0.976 nan 8.310 nan 0.000 0.448 403 G N 1.624 110.494 108.800 0.118 0.000 2.587 403 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 403 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 403 G C 1.400 176.141 174.900 -0.265 0.000 1.240 403 G CA 1.134 46.088 45.100 -0.245 0.000 0.794 403 G HN 0.581 nan 8.290 nan 0.000 0.580 404 I N -0.086 120.567 120.570 0.139 0.000 2.068 404 I HA -0.271 3.899 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 1.595 62.980 61.300 0.141 0.000 1.306 404 I CB -0.647 37.477 38.000 0.207 0.000 1.023 404 I HN 0.067 nan 8.210 nan 0.000 0.399 405 F N 0.946 120.879 119.950 -0.028 0.000 2.050 405 F HA -0.352 4.175 4.527 -0.000 0.000 0.294 405 F C 2.483 178.265 175.800 -0.031 0.000 1.113 405 F CA 1.953 59.940 58.000 -0.022 0.000 1.225 405 F CB -1.108 37.897 39.000 0.008 0.000 0.953 405 F HN -0.010 nan 8.300 nan 0.000 0.501 406 L N -0.731 120.588 121.223 0.161 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 40.648 42.059 -0.049 0.000 0.905 406 L HN 0.331 nan 8.230 nan 0.000 0.441 407 A N -0.218 122.596 122.820 -0.010 0.000 1.883 407 A HA -0.403 3.917 4.320 -0.000 0.000 0.222 407 A C 2.446 180.121 177.584 0.151 0.000 1.339 407 A CA 3.239 55.312 52.037 0.061 0.000 0.692 407 A CB -1.356 17.670 19.000 0.044 0.000 0.845 407 A HN 0.583 nan 8.150 nan 0.000 0.467 408 A N -1.148 121.711 122.820 0.065 0.000 1.903 408 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 408 A C 1.880 179.441 177.584 -0.038 0.000 1.191 408 A CA 2.109 54.089 52.037 -0.095 0.000 0.638 408 A CB -0.694 17.879 19.000 -0.712 0.000 0.823 408 A HN 0.616 nan 8.150 nan 0.000 0.451 409 E N 0.266 120.514 120.200 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 0.994 121.319 120.300 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 -0.370 57.743 58.100 0.022 0.000 1.576 411 Y CB -0.258 38.206 38.460 0.007 0.000 1.223 411 Y HN 0.270 nan 8.280 nan 0.000 0.536 412 A N 5.261 128.164 122.820 0.140 0.000 2.565 412 A HA 0.560 4.880 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 1.068 20.260 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 0.952 64.005 63.100 -0.077 0.000 0.723 413 P CB -0.163 31.372 31.700 -0.276 0.000 0.680 414 S N -1.279 114.510 115.700 0.149 0.000 2.646 414 S HA 0.281 4.751 4.470 -0.000 0.000 0.276 414 S C 1.007 175.795 174.600 0.313 0.000 1.222 414 S CA -0.577 57.748 58.200 0.210 0.000 1.014 414 S CB 1.662 64.978 63.200 0.194 0.000 0.991 414 S HN -0.061 nan 8.310 nan 0.000 0.533 415 K N 1.376 121.899 120.400 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 1.593 57.978 56.287 0.164 0.000 0.932 415 K CB -0.532 31.999 32.500 0.052 0.000 0.715 415 K HN 0.748 nan 8.250 nan 0.000 0.437 416 R N -0.252 120.342 120.500 0.157 0.000 2.159 416 R HA -0.272 4.068 4.340 -0.000 0.000 0.252 416 R C 2.068 178.448 176.300 0.134 0.000 1.144 416 R CA 2.237 58.417 56.100 0.133 0.000 0.961 416 R CB -0.723 29.769 30.300 0.320 0.000 0.877 416 R HN 0.440 nan 8.270 nan 0.000 0.444 417 W N 0.632 121.977 121.300 0.075 0.000 2.381 417 W HA -0.187 4.473 4.660 0.000 0.000 0.321 417 W C 2.246 178.795 176.519 0.051 0.000 1.196 417 W CA 2.168 59.548 57.345 0.059 0.000 1.304 417 W CB -1.002 28.493 29.460 0.058 0.000 1.166 417 W HN 0.290 nan 8.180 nan 0.000 0.473 418 H N -0.181 118.915 119.070 0.043 0.000 2.275 418 H HA -0.352 4.204 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 3.574 59.465 56.048 -0.263 0.000 1.169 418 H CB -0.594 29.190 29.762 0.037 0.000 1.349 418 H HN 0.199 nan 8.280 nan 0.000 0.501 419 I N 0.161 120.728 120.570 -0.005 0.000 2.044 419 I HA -0.389 3.781 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 1.691 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 0.631 120.874 120.400 -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 2.901 56.743 54.000 -0.264 0.000 0.868 420 D CB -0.096 40.592 40.800 -0.187 0.000 0.931 420 D HN 0.535 nan 8.370 nan 0.000 0.449 421 T N -0.713 113.517 114.554 -0.539 0.000 2.639 421 T HA -0.092 4.258 4.350 -0.000 0.000 0.261 421 T C 2.451 176.910 174.700 -0.402 0.000 1.053 421 T CA 1.075 62.840 62.100 -0.559 0.000 1.158 421 T CB -0.832 67.428 68.868 -1.013 0.000 0.863 421 T HN 0.179 nan 8.240 nan 0.000 0.413 422 I N 1.601 121.904 120.570 -0.445 0.000 2.091 422 I HA -0.323 3.847 4.170 -0.000 0.000 0.240 422 I C 2.930 178.903 176.117 -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 57.325 55.300 -0.101 0.000 1.087 423 M CB -0.877 31.664 32.600 -0.097 0.000 1.278 423 M HN 0.134 nan 8.290 nan 0.000 0.426 424 R N 0.663 121.100 120.500 -0.105 0.000 2.191 424 R HA -0.201 4.139 4.340 -0.000 0.000 0.248 424 R C 1.975 178.249 176.300 -0.043 0.000 1.127 424 R CA 2.434 58.492 56.100 -0.071 0.000 0.943 424 R CB -1.433 28.810 30.300 -0.095 0.000 0.891 424 R HN 0.371 nan 8.270 nan 0.000 0.439 425 V N 0.042 119.923 119.914 -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 2.105 64.412 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 3.185 58.064 54.840 0.064 0.000 0.784 426 L CB -2.307 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 -0.977 113.586 114.554 0.016 0.000 2.736 427 T HA -0.275 4.075 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 2.301 64.408 62.100 0.011 0.000 1.155 427 T CB -0.462 68.406 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 0.005 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 0.473 62.563 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 0.940 123.771 122.820 0.019 0.000 1.944 429 A HA 0.588 4.908 4.320 -0.000 0.000 0.207 429 A C 2.298 179.981 177.584 0.166 0.000 1.265 429 A CA 1.241 53.300 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 0.462 109.341 108.800 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 2.724 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 -0.690 115.098 115.700 0.147 0.000 2.462 431 S HA -0.199 4.271 4.470 -0.000 0.000 0.251 431 S C 1.976 176.588 174.600 0.021 0.000 1.018 431 S CA 2.479 60.731 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 0.247 120.546 120.300 -0.002 0.000 2.498 432 Y HA 0.378 4.928 4.550 0.000 0.000 0.259 432 Y C 1.036 176.922 175.900 -0.023 0.000 1.086 432 Y CA -0.548 57.547 58.100 -0.007 0.000 1.287 432 Y CB -0.277 38.186 38.460 0.005 0.000 1.146 432 Y HN -0.001 nan 8.280 nan 0.000 0.523 433 V N 4.020 124.015 119.914 0.135 0.000 3.032 433 V HA -0.075 4.045 4.120 -0.000 0.000 0.307 433 V C 1.178 177.246 176.094 -0.044 0.000 1.097 433 V CA -0.743 61.569 62.300 0.020 0.000 1.191 433 V CB 0.097 31.944 31.823 0.040 0.000 0.964 433 V HN 0.327 nan 8.190 nan 0.000 0.494 434 R N 2.516 122.940 120.500 -0.126 0.000 3.357 434 R HA 0.037 4.377 4.340 -0.000 0.000 0.218 434 R C 0.684 176.935 176.300 -0.081 0.000 1.015 434 R CA 0.291 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 -0.390 119.968 120.400 -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 1.129 121.507 120.400 -0.036 0.000 2.354 436 D HA -0.144 4.496 4.640 -0.000 0.000 0.216 436 D C 1.683 177.999 176.300 0.025 0.000 0.970 436 D CA 0.721 54.715 54.000 -0.010 0.000 0.905 436 D CB 0.004 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 54.758 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 0.757 120.689 119.914 0.029 0.000 2.243 438 V HA -0.331 3.789 4.120 -0.000 0.000 0.258 438 V C 0.164 176.255 176.094 -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 -0.073 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 1.599 178.912 177.300 0.022 0.000 1.157 439 P CA 1.644 64.738 63.100 -0.010 0.000 0.863 439 P CB -0.211 31.481 31.700 -0.013 0.000 0.787 440 N N 0.243 118.972 118.700 0.050 0.000 2.048 440 N HA -0.231 4.508 4.740 -0.000 0.000 0.197 440 N C 1.728 177.271 175.510 0.054 0.000 1.048 440 N CA 1.848 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 0.175 121.436 121.223 0.063 0.000 2.034 441 L HA -0.254 4.086 4.340 -0.000 0.000 0.217 441 L C 2.454 179.349 176.870 0.041 0.000 1.077 441 L CA 1.549 56.405 54.840 0.027 0.000 0.769 441 L CB -0.396 41.680 42.059 0.029 0.000 0.890 441 L HN 0.255 nan 8.230 nan 0.000 0.435 442 I N 0.020 120.629 120.570 0.065 0.000 2.127 442 I HA -0.385 3.785 4.170 -0.000 0.000 0.241 442 I C 2.638 178.818 176.117 0.104 0.000 1.075 442 I CA 1.850 63.219 61.300 0.115 0.000 1.334 442 I CB -0.779 37.274 38.000 0.088 0.000 1.040 442 I HN 0.453 nan 8.210 nan 0.000 0.405 443 Q N -0.049 119.787 119.800 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 57.866 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 0.405 121.630 121.223 0.004 0.000 1.994 444 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 444 L C 2.092 178.962 176.870 0.000 0.000 1.071 444 L CA 1.595 56.402 54.840 -0.054 0.000 0.745 444 L CB -0.457 41.506 42.059 -0.160 0.000 0.892 444 L HN 0.322 nan 8.230 nan 0.000 0.431 445 I N -1.006 119.598 120.570 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 2.142 63.522 61.300 0.134 0.000 1.311 445 I CB -0.746 37.387 38.000 0.221 0.000 1.030 445 I HN 0.467 nan 8.210 nan 0.000 0.398 446 T N 0.757 115.480 114.554 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 2.440 64.748 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 1.149 119.929 118.700 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 1.176 54.273 53.050 0.078 0.000 0.870 447 N CB -0.702 37.807 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 1.225 175.686 174.600 -0.232 0.000 1.093 448 S CA -0.498 57.661 58.200 -0.068 0.000 1.077 448 S CB 1.364 64.526 63.200 -0.062 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 -0.203 0.000 3.541 449 V HA -0.027 4.093 4.120 -0.000 0.000 0.272 449 V C 1.208 177.009 176.094 -0.488 0.000 1.215 449 V CA 0.956 63.044 62.300 -0.353 0.000 1.176 449 V CB -1.206 30.669 31.823 0.086 0.000 0.854 449 V HN 0.584 nan 8.190 nan 0.000 0.496 450 E N -0.081 119.894 120.200 -0.374 0.000 2.083 450 E HA 0.114 4.464 4.350 -0.000 0.000 0.193 450 E C 1.707 178.207 176.600 -0.166 0.000 0.950 450 E CA 0.409 56.697 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 1.599 121.125 119.600 -0.124 0.000 2.706 451 M HA -0.084 4.396 4.480 -0.000 0.000 0.253 451 M C 1.110 177.423 176.300 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 0.317 119.364 119.070 -0.038 0.000 2.297 452 H HA -0.244 4.312 4.556 -0.000 0.000 0.289 452 H C 2.078 177.352 175.328 -0.091 0.000 1.105 452 H CA 2.068 58.017 56.048 -0.166 0.000 1.219 452 H CB -0.894 28.573 29.762 -0.490 0.000 1.351 452 H HN 0.484 nan 8.280 nan 0.000 0.481 453 A N 0.677 123.538 122.820 0.069 0.000 1.830 453 A HA -0.248 4.072 4.320 -0.000 0.000 0.214 453 A C 2.261 179.944 177.584 0.165 0.000 1.218 453 A CA 1.582 53.661 52.037 0.071 0.000 0.628 453 A CB -1.703 17.323 19.000 0.044 0.000 0.860 453 A HN 0.619 nan 8.150 nan 0.000 0.454 454 Y N 0.896 121.208 120.300 0.020 0.000 2.248 454 Y HA -0.387 4.163 4.550 -0.000 0.000 0.274 454 Y C 2.462 178.397 175.900 0.058 0.000 1.277 454 Y CA 1.969 60.090 58.100 0.034 0.000 1.140 454 Y CB -0.429 38.048 38.460 0.027 0.000 0.934 454 Y HN 0.445 nan 8.280 nan 0.000 0.529 455 T N -0.058 114.583 114.554 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 1.892 64.025 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 2.535 122.553 119.914 0.174 0.000 2.313 456 V HA -0.290 3.830 4.120 -0.000 0.000 0.253 456 V C 2.656 178.862 176.094 0.186 0.000 1.070 456 V CA 1.653 64.063 62.300 0.182 0.000 1.057 456 V CB -1.123 30.805 31.823 0.175 0.000 0.653 456 V HN 0.431 nan 8.190 nan 0.000 0.450 457 Q N 0.511 120.411 119.800 0.167 0.000 1.800 457 Q HA -0.243 4.097 4.340 -0.000 0.000 0.289 457 Q C 2.388 178.521 176.000 0.222 0.000 1.015 457 Q CA 1.999 57.905 55.803 0.172 0.000 0.890 457 Q CB -0.638 28.216 28.738 0.194 0.000 0.958 457 Q HN 0.570 nan 8.270 nan 0.000 0.416 458 R N 0.380 121.012 120.500 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 1.434 57.641 56.100 0.178 0.000 0.957 458 R CB -0.779 29.592 30.300 0.118 0.000 0.867 458 R HN 0.293 nan 8.270 nan 0.000 0.441 459 L N -0.646 120.656 121.223 0.132 0.000 1.991 459 L HA -0.324 4.016 4.340 -0.000 0.000 0.221 459 L C 2.409 179.372 176.870 0.155 0.000 1.079 459 L CA 1.995 56.907 54.840 0.120 0.000 0.778 459 L CB -0.764 41.372 42.059 0.128 0.000 0.893 459 L HN 0.229 nan 8.230 nan 0.000 0.437 460 Y N 0.809 121.155 120.300 0.077 0.000 1.979 460 Y HA -0.413 4.137 4.550 0.000 0.000 0.262 460 Y C 2.690 178.636 175.900 0.076 0.000 1.142 460 Y CA 2.170 60.318 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 0.002 nan 8.280 nan 0.000 0.484 461 K N -0.067 120.524 120.400 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 1.990 58.384 56.287 0.178 0.000 0.962 461 K CB -0.899 31.709 32.500 0.178 0.000 0.730 461 K HN 0.521 nan 8.250 nan 0.000 0.453 462 A N 1.383 124.239 122.820 0.060 0.000 1.881 462 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 462 A C 2.217 179.811 177.584 0.016 0.000 1.215 462 A CA 2.354 54.413 52.037 0.036 0.000 0.648 462 A CB -0.993 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 2.248 178.371 176.117 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 37.506 38.000 -0.058 0.000 1.069 463 I HN 0.255 nan 8.210 nan 0.000 0.424 464 L N 0.868 122.022 121.223 -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 57.307 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 -1.041 107.743 108.800 -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 0.651 175.531 174.900 -0.035 0.000 1.202 465 G CA -0.005 45.071 45.100 -0.041 0.000 0.793 465 G HN 0.296 nan 8.290 nan 0.000 0.534 466 D N -1.620 118.806 120.400 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 42.190 40.800 0.079 0.000 1.161 466 D HN 0.127 nan 8.370 nan 0.000 0.447 467 Y N -1.227 119.060 120.300 -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 -0.223 57.865 58.100 -0.020 0.000 1.007 467 Y CB -0.352 38.097 38.460 -0.017 0.000 1.372 467 Y HN 0.251 nan 8.280 nan 0.000 0.563 468 S N 2.628 118.431 115.700 0.171 0.000 2.509 468 S HA 0.441 4.911 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 0.085 58.338 58.200 0.089 0.000 1.089 468 S CB 1.204 64.444 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 -0.150 55.665 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 0.669 nan 8.270 nan 0.000 0.603 470 Q N 0.746 120.533 119.800 -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 0.903 56.671 55.803 -0.057 0.000 0.805 470 Q CB -0.952 27.752 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 1.654 178.916 177.300 -0.064 0.000 1.159 471 P CA 1.383 64.442 63.100 -0.069 0.000 0.920 471 P CB -0.125 31.566 31.700 -0.014 0.000 0.793 472 L N 0.121 121.327 121.223 -0.028 0.000 1.933 472 L HA -0.194 4.146 4.340 -0.000 0.000 0.220 472 L C 2.318 179.167 176.870 -0.036 0.000 1.078 472 L CA 2.244 57.074 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 -1.636 118.247 119.914 -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 -1.564 30.189 31.823 -0.117 0.000 0.653 473 V HN 0.755 nan 8.190 nan 0.000 0.450 474 Q N 0.027 119.731 119.800 -0.161 0.000 1.914 474 Q HA -0.246 4.094 4.340 -0.000 0.000 0.222 474 Q C 2.377 178.296 176.000 -0.135 0.000 1.031 474 Q CA 3.299 58.919 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 2.188 178.390 176.094 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 -0.121 122.759 122.820 0.101 0.000 1.836 476 A HA -0.191 4.129 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 3.059 55.164 52.037 0.112 0.000 0.636 476 A CB -1.445 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 -1.385 121.508 122.820 0.123 0.000 1.984 477 A HA -0.322 3.998 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 2.119 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 2.464 178.980 176.519 -0.006 0.000 1.222 478 W CA 2.075 59.483 57.345 0.105 0.000 1.136 478 W CB -0.838 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 1.155 120.240 119.300 -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 1.482 60.173 59.018 -0.546 0.000 1.771 479 C CB -1.787 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 2.094 63.418 61.300 0.040 0.000 1.308 480 I CB -1.317 36.751 38.000 0.113 0.000 1.015 480 I HN 0.540 nan 8.210 nan 0.000 0.410 481 G N 0.492 109.199 108.800 -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 0.614 45.583 45.100 -0.220 0.000 0.824 481 G HN 0.322 nan 8.290 nan 0.000 0.630 482 E N 0.025 119.766 120.200 -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 1.191 57.159 56.400 -0.719 0.000 0.823 482 E CB -0.270 28.681 29.700 -1.249 0.000 0.736 482 E HN 0.800 nan 8.360 nan 0.000 0.478 483 Y N -1.076 119.021 120.300 -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 -0.345 57.605 58.100 -0.249 0.000 1.238 483 Y CB 0.587 38.932 38.460 -0.192 0.000 1.179 483 Y HN 0.051 nan 8.280 nan 0.000 0.524 484 G N 1.059 109.804 108.800 -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 1.686 46.642 45.100 -0.239 0.000 0.752 484 G HN 0.311 nan 8.290 nan 0.000 0.596 485 D N 0.826 120.981 120.400 -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 1.475 55.276 54.000 -0.332 0.000 0.871 485 D CB -0.731 39.940 40.800 -0.215 0.000 1.044 485 D HN 0.346 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 2.584 179.410 176.870 -0.073 0.000 1.087 486 L CA 0.373 55.138 54.840 -0.125 0.000 0.757 486 L CB -0.503 41.450 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 0.938 55.769 54.840 -0.014 0.000 0.798 487 L CB -0.054 42.029 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 1.132 177.225 176.094 -0.003 0.000 1.112 488 V CA -0.178 62.139 62.300 0.028 0.000 0.984 488 V CB -0.537 31.322 31.823 0.060 0.000 1.157 488 V HN 0.424 nan 8.190 nan 0.000 0.493 489 S N 3.804 119.496 115.700 -0.013 0.000 3.256 489 S HA -0.174 4.296 4.470 -0.000 0.000 0.262 489 S C 1.193 175.783 174.600 -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 0.619 109.406 108.800 -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 44.076 45.100 -0.025 0.000 0.896 490 G HN 0.531 nan 8.290 nan 0.000 0.536 491 Q N -0.438 119.350 119.800 -0.021 0.000 2.903 491 Q HA 0.174 4.514 4.340 -0.000 0.000 0.243 491 Q C 0.222 176.210 176.000 -0.020 0.000 1.366 491 Q CA -0.229 55.563 55.803 -0.018 0.000 0.898 491 Q CB -0.192 28.536 28.738 -0.017 0.000 1.718 491 Q HN 0.397 nan 8.270 nan 0.000 0.557 492 C N 2.194 121.482 119.300 -0.021 0.000 2.373 492 C HA 0.257 4.717 4.460 -0.000 0.000 0.354 492 C C 0.460 175.434 174.990 -0.026 0.000 1.249 492 C CA -0.471 58.535 59.018 -0.021 0.000 1.784 492 C CB -0.256 27.473 27.740 -0.018 0.000 2.408 492 C HN 0.809 nan 8.230 nan 0.000 0.542 493 E N 3.127 123.314 120.200 -0.022 0.000 2.280 493 E HA 0.292 4.642 4.350 -0.000 0.000 0.264 493 E C 0.549 177.129 176.600 -0.033 0.000 1.064 493 E CA -0.053 56.332 56.400 -0.025 0.000 0.900 493 E CB 0.707 30.398 29.700 -0.015 0.000 1.123 493 E HN 0.807 nan 8.360 nan 0.000 0.418 494 E N 0.005 120.180 120.200 -0.043 0.000 4.459 494 E HA -0.188 4.162 4.350 -0.000 0.000 0.312 494 E C -0.894 175.614 176.600 -0.153 0.000 0.670 494 E CA 1.869 58.233 56.400 -0.061 0.000 1.781 494 E CB -0.740 28.953 29.700 -0.010 0.000 1.823 494 E HN 0.643 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 -1.656 174.872 176.600 -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 1.557 121.692 120.200 -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 -1.424 54.939 56.400 -0.061 0.000 0.888 496 E CB 0.096 29.768 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 -0.228 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 -2.576 117.982 120.570 -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 1.161 39.159 38.000 -0.003 0.000 1.360 498 I HN 0.193 nan 8.210 nan 0.000 0.477 499 Q N 1.755 121.533 119.800 -0.036 0.000 2.307 499 Q HA 0.231 4.571 4.340 -0.000 0.000 0.261 499 Q C -0.545 175.400 176.000 -0.091 0.000 1.051 499 Q CA 0.047 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 4.126 123.993 119.914 -0.079 0.000 2.225 500 V HA 0.175 4.295 4.120 -0.000 0.000 0.264 500 V C -0.249 175.828 176.094 -0.028 0.000 1.067 500 V CA -0.398 61.842 62.300 -0.101 0.000 0.903 500 V CB 0.855 32.633 31.823 -0.074 0.000 1.136 500 V HN 0.849 nan 8.190 nan 0.000 0.456 501 T N 0.508 115.047 114.554 -0.026 0.000 2.794 501 T HA 0.260 4.610 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 62.271 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 2.194 122.326 120.200 -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 1.784 57.997 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 0.184 120.511 120.400 -0.122 0.000 2.133 503 D HA -0.205 4.435 4.640 -0.000 0.000 0.195 503 D C 1.787 178.075 176.300 -0.019 0.000 0.997 503 D CA 1.280 55.238 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 0.366 nan 8.370 nan 0.000 0.452 504 E N 0.285 120.497 120.200 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 0.600 57.063 56.400 0.105 0.000 0.800 504 E CB 0.043 29.835 29.700 0.154 0.000 0.752 504 E HN 0.027 nan 8.360 nan 0.000 0.447 505 V N 2.042 122.047 119.914 0.153 0.000 2.277 505 V HA -0.345 3.775 4.120 -0.000 0.000 0.253 505 V C 2.328 178.491 176.094 0.115 0.000 1.067 505 V CA 1.810 64.239 62.300 0.214 0.000 1.047 505 V CB -0.781 31.098 31.823 0.093 0.000 0.649 505 V HN 0.273 nan 8.190 nan 0.000 0.447 506 L N -0.514 120.718 121.223 0.016 0.000 1.948 506 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 506 L C 2.457 179.345 176.870 0.030 0.000 1.074 506 L CA 2.016 56.856 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 0.457 120.876 120.400 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 56.154 54.000 0.044 0.000 0.880 507 D CB -0.291 40.538 40.800 0.049 0.000 0.926 507 D HN 0.239 nan 8.370 nan 0.000 0.465 508 I N 1.094 121.699 120.570 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 -0.892 37.088 38.000 -0.034 0.000 1.054 508 I HN 0.029 nan 8.210 nan 0.000 0.395 509 L N -0.013 121.220 121.223 0.018 0.000 2.030 509 L HA -0.345 3.995 4.340 -0.000 0.000 0.222 509 L C 2.507 179.376 176.870 -0.002 0.000 1.082 509 L CA 1.934 56.773 54.840 -0.001 0.000 0.785 509 L CB -1.217 40.852 42.059 0.016 0.000 0.895 509 L HN 0.407 nan 8.230 nan 0.000 0.439 510 E N 0.186 120.401 120.200 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 1.956 58.386 56.400 0.050 0.000 0.860 510 E CB -0.268 29.464 29.700 0.054 0.000 0.776 510 E HN 0.395 nan 8.360 nan 0.000 0.467 511 S N 0.499 116.248 115.700 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 1.417 59.698 58.200 0.134 0.000 1.053 511 S CB -0.501 62.859 63.200 0.267 0.000 0.886 511 S HN 0.099 nan 8.310 nan 0.000 0.456 512 V N 1.734 121.601 119.914 -0.079 0.000 2.231 512 V HA -0.256 3.864 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 2.009 64.172 62.300 -0.229 0.000 1.022 512 V CB -0.925 30.773 31.823 -0.209 0.000 0.640 512 V HN 0.327 nan 8.190 nan 0.000 0.445 513 L N -0.744 120.458 121.223 -0.034 0.000 2.012 513 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 513 L C 2.189 179.118 176.870 0.098 0.000 1.073 513 L CA 1.969 56.816 54.840 0.012 0.000 0.748 513 L CB -0.780 41.285 42.059 0.010 0.000 0.891 513 L HN 0.250 nan 8.230 nan 0.000 0.431 514 I N -0.931 119.711 120.570 0.120 0.000 2.090 514 I HA -0.232 3.938 4.170 -0.000 0.000 0.236 514 I C 1.486 177.659 176.117 0.094 0.000 1.064 514 I CA 0.799 62.170 61.300 0.119 0.000 1.324 514 I CB -0.684 37.378 38.000 0.103 0.000 1.044 514 I HN 0.332 nan 8.210 nan 0.000 0.399 515 S N 2.460 118.223 115.700 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 0.060 63.402 63.200 0.237 0.000 0.812 515 S HN 0.402 nan 8.310 nan 0.000 0.500 516 N N 3.515 122.258 118.700 0.072 0.000 2.521 516 N HA 0.350 5.090 4.740 -0.000 0.000 0.236 516 N C -0.139 175.402 175.510 0.051 0.000 1.067 516 N CA -0.215 52.866 53.050 0.051 0.000 0.939 516 N CB -0.280 38.232 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 0.393 nan 8.290 nan 0.000 0.717 518 S N 0.220 115.911 115.700 -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 57.617 58.200 -0.039 0.000 1.059 518 S CB 1.975 65.134 63.200 -0.069 0.000 1.046 518 S HN 0.067 nan 8.310 nan 0.000 0.506 519 T N 2.244 116.783 114.554 -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 62.023 62.100 -0.013 0.000 1.075 519 T CB 1.176 70.033 68.868 -0.018 0.000 0.986 519 T HN 0.875 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 1.656 59.865 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 2.231 122.165 119.914 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 30.399 31.823 0.066 0.000 0.651 521 V HN 0.741 nan 8.190 nan 0.000 0.450 522 T N 0.514 115.088 114.554 0.033 0.000 2.555 522 T HA -0.268 4.082 4.350 -0.000 0.000 0.264 522 T C 1.867 176.590 174.700 0.039 0.000 1.083 522 T CA 2.107 64.205 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 2.613 178.892 176.300 -0.035 0.000 1.163 523 R CA 1.369 57.436 56.100 -0.055 0.000 0.981 523 R CB -1.048 29.202 30.300 -0.083 0.000 0.878 523 R HN 0.524 nan 8.270 nan 0.000 0.454 524 G N 0.577 109.399 108.800 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 0.778 175.738 174.900 0.099 0.000 1.327 524 G CA 1.019 46.150 45.100 0.052 0.000 0.818 524 G HN 0.244 nan 8.290 nan 0.000 0.611 525 Y N 1.630 121.932 120.300 0.003 0.000 2.170 525 Y HA -0.290 4.260 4.550 -0.000 0.000 0.274 525 Y C 3.147 179.096 175.900 0.081 0.000 1.253 525 Y CA 1.423 59.565 58.100 0.070 0.000 1.133 525 Y CB -0.908 37.591 38.460 0.065 0.000 0.941 525 Y HN 0.312 nan 8.280 nan 0.000 0.518 526 A N 0.143 123.069 122.820 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 1.637 53.710 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 -0.727 120.441 121.223 -0.091 0.000 2.017 527 L HA -0.341 3.999 4.340 -0.000 0.000 0.234 527 L C 2.589 179.339 176.870 -0.199 0.000 1.097 527 L CA 3.030 57.766 54.840 -0.173 0.000 0.816 527 L CB -1.012 40.908 42.059 -0.232 0.000 0.914 527 L HN 0.604 nan 8.230 nan 0.000 0.444 528 T N 0.076 114.545 114.554 -0.142 0.000 2.564 528 T HA -0.392 3.958 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 2.213 64.253 62.100 -0.101 0.000 1.171 528 T CB -0.886 68.024 68.868 0.069 0.000 0.863 528 T HN 0.680 nan 8.240 nan 0.000 0.430 529 A N 1.257 124.095 122.820 0.031 0.000 1.859 529 A HA -0.170 4.150 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 2.129 54.177 52.037 0.019 0.000 0.639 529 A CB -1.188 17.852 19.000 0.067 0.000 0.835 529 A HN 0.564 nan 8.150 nan 0.000 0.450 530 I N -1.093 119.468 120.570 -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 2.187 63.486 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 0.449 nan 8.210 nan 0.000 0.420 531 M N 0.153 119.721 119.600 -0.055 0.000 2.132 531 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 531 M C 2.209 178.560 176.300 0.086 0.000 1.065 531 M CA 1.666 56.982 55.300 0.028 0.000 1.122 531 M CB -0.314 32.207 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 -0.176 4.144 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 1.070 57.369 56.287 0.020 0.000 0.933 532 K CB -0.469 31.996 32.500 -0.059 0.000 0.736 532 K HN 0.428 nan 8.250 nan 0.000 0.463 533 L N 0.887 122.187 121.223 0.128 0.000 2.095 533 L HA -0.124 4.216 4.340 -0.000 0.000 0.204 533 L C 2.794 179.858 176.870 0.323 0.000 1.080 533 L CA 1.141 56.155 54.840 0.291 0.000 0.759 533 L CB -0.963 41.388 42.059 0.486 0.000 0.914 533 L HN 0.265 nan 8.230 nan 0.000 0.439 534 S N -0.220 115.633 115.700 0.254 0.000 2.409 534 S HA -0.280 4.190 4.470 -0.000 0.000 0.237 534 S C 1.830 176.555 174.600 0.209 0.000 1.060 534 S CA 2.388 60.748 58.200 0.266 0.000 1.052 534 S CB -0.616 62.822 63.200 0.396 0.000 0.871 534 S HN 0.441 nan 8.310 nan 0.000 0.465 535 T N 0.733 115.370 114.554 0.140 0.000 3.081 535 T HA 0.248 4.598 4.350 -0.000 0.000 0.255 535 T C 1.432 176.149 174.700 0.027 0.000 1.113 535 T CA 0.330 62.476 62.100 0.076 0.000 1.082 535 T CB -0.074 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 -0.265 120.233 120.500 -0.003 0.000 2.468 536 R HA 0.375 4.715 4.340 -0.000 0.000 0.280 536 R C -0.734 175.319 176.300 -0.412 0.000 0.963 536 R CA -0.036 55.932 56.100 -0.220 0.000 1.083 536 R CB 0.376 30.470 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 1.909 40.919 39.000 0.016 0.000 1.383 537 F HN -0.315 nan 8.300 nan 0.000 0.483 538 T N -1.782 112.938 114.554 0.276 0.000 2.990 538 T HA 0.054 4.404 4.350 -0.000 0.000 0.249 538 T C 0.910 175.668 174.700 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 68.829 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 2.061 177.045 174.990 -0.009 0.000 1.317 539 C CA -0.060 58.974 59.018 0.026 0.000 2.592 539 C CB -0.620 27.129 27.740 0.015 0.000 3.519 539 C HN 0.248 nan 8.230 nan 0.000 0.524 540 T N 2.596 117.117 114.554 -0.055 0.000 3.400 540 T HA 0.049 4.399 4.350 -0.000 0.000 0.254 540 T C 1.413 176.072 174.700 -0.068 0.000 1.153 540 T CA 0.602 62.653 62.100 -0.082 0.000 1.012 540 T CB -0.456 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 2.061 121.963 119.914 -0.021 0.000 3.244 541 V HA -0.162 3.958 4.120 -0.000 0.000 0.273 541 V C 1.910 177.968 176.094 -0.061 0.000 1.180 541 V CA 1.174 63.476 62.300 0.002 0.000 1.182 541 V CB -0.755 31.103 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 1.975 177.417 175.510 -0.113 0.000 1.040 542 N CA 0.278 53.270 53.050 -0.097 0.000 0.890 542 N CB 0.010 38.460 38.487 -0.062 0.000 1.233 542 N HN 0.353 nan 8.380 nan 0.000 0.435 543 R N 1.450 121.896 120.500 -0.090 0.000 2.139 543 R HA -0.013 4.327 4.340 -0.000 0.000 0.243 543 R C 2.140 178.380 176.300 -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 30.089 30.300 -0.071 0.000 0.866 543 R HN 0.169 nan 8.270 nan 0.000 0.449 544 I N 0.860 121.356 120.570 -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 37.604 38.000 -0.131 0.000 1.039 544 I HN 0.200 nan 8.210 nan 0.000 0.396 545 K N 0.529 120.681 120.400 -0.414 0.000 2.144 545 K HA -0.304 4.016 4.320 -0.000 0.000 0.209 545 K C 2.094 178.551 176.600 -0.239 0.000 1.047 545 K CA 1.827 57.791 56.287 -0.538 0.000 0.927 545 K CB -0.247 31.923 32.500 -0.550 0.000 0.716 545 K HN 0.248 nan 8.250 nan 0.000 0.454 546 K N 0.937 121.243 120.400 -0.157 0.000 1.991 546 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 546 K C 1.957 178.530 176.600 -0.044 0.000 1.049 546 K CA 1.766 58.003 56.287 -0.084 0.000 0.932 546 K CB -0.079 32.382 32.500 -0.066 0.000 0.717 546 K HN -0.044 nan 8.250 nan 0.000 0.441 547 V N 1.141 121.038 119.914 -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 0.045 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 -0.191 119.754 119.914 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 2.747 65.107 62.300 0.100 0.000 1.027 548 V CB -1.133 30.735 31.823 0.074 0.000 0.644 548 V HN 0.590 nan 8.190 nan 0.000 0.448 549 S N -0.954 114.787 115.700 0.068 0.000 2.420 549 S HA -0.136 4.334 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 1.621 59.858 58.200 0.062 0.000 0.991 549 S CB -0.475 62.739 63.200 0.023 0.000 0.792 549 S HN 0.522 nan 8.310 nan 0.000 0.488 550 I N -0.905 119.680 120.570 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 1.024 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 1.315 121.629 120.300 0.022 0.000 2.616 551 Y HA -0.010 4.540 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 0.576 58.695 58.100 0.032 0.000 1.325 551 Y CB -0.342 38.139 38.460 0.034 0.000 1.007 551 Y HN 0.128 nan 8.280 nan 0.000 0.542 552 G N -1.071 107.824 108.800 0.159 0.000 2.564 552 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 552 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 552 G C 0.545 175.499 174.900 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 -0.434 115.303 115.700 0.062 0.000 2.158 553 S HA 0.528 4.998 4.470 -0.000 0.000 0.160 553 S C -0.488 174.131 174.600 0.032 0.000 1.693 553 S CA -0.521 57.700 58.200 0.036 0.000 1.251 553 S CB 1.237 64.440 63.200 0.005 0.000 1.153 553 S HN 0.212 nan 8.310 nan 0.000 0.439 554 S N 1.132 116.885 115.700 0.088 0.000 2.526 554 S HA 0.561 5.031 4.470 -0.000 0.000 0.293 554 S C 1.197 175.850 174.600 0.088 0.000 1.092 554 S CA -0.840 57.425 58.200 0.108 0.000 0.980 554 S CB 0.570 63.923 63.200 0.256 0.000 1.048 554 S HN 0.450 nan 8.310 nan 0.000 0.483 555 I N 1.619 122.230 120.570 0.069 0.000 2.185 555 I HA -0.148 4.022 4.170 -0.000 0.000 0.246 555 I C 1.234 177.385 176.117 0.057 0.000 1.088 555 I CA 1.060 62.392 61.300 0.053 0.000 1.347 555 I CB -0.237 37.790 38.000 0.044 0.000 1.041 555 I HN 0.605 nan 8.210 nan 0.000 0.415 556 D N 1.909 122.353 120.400 0.073 0.000 2.426 556 D HA -0.005 4.635 4.640 -0.000 0.000 0.271 556 D C 1.427 177.763 176.300 0.059 0.000 1.376 556 D CA 0.165 54.203 54.000 0.063 0.000 1.149 556 D CB 0.708 41.550 40.800 0.069 0.000 1.118 556 D HN -0.012 nan 8.370 nan 0.000 0.529 557 V N 3.518 123.459 119.914 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 64.686 62.300 0.038 0.000 1.082 557 V CB -0.651 31.186 31.823 0.025 0.000 0.681 557 V HN 0.498 nan 8.190 nan 0.000 0.452 558 E N 0.448 120.670 120.200 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 1.769 58.191 56.400 0.037 0.000 0.829 558 E CB -0.621 29.096 29.700 0.028 0.000 0.777 558 E HN 0.485 nan 8.360 nan 0.000 0.460 559 L N 0.607 121.865 121.223 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 -1.174 40.907 42.059 0.036 0.000 0.902 559 L HN 0.428 nan 8.230 nan 0.000 0.441 560 Q N 0.053 119.931 119.800 0.129 0.000 1.943 560 Q HA -0.373 3.967 4.340 -0.000 0.000 0.213 560 Q C 2.143 178.211 176.000 0.112 0.000 1.017 560 Q CA 2.683 58.565 55.803 0.132 0.000 0.874 560 Q CB -0.280 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 0.360 120.204 119.800 0.074 0.000 2.028 561 Q HA -0.283 4.057 4.340 -0.000 0.000 0.215 561 Q C 1.990 178.019 176.000 0.047 0.000 1.041 561 Q CA 2.919 58.749 55.803 0.045 0.000 0.897 561 Q CB -0.446 28.306 28.738 0.023 0.000 1.017 561 Q HN 0.432 nan 8.270 nan 0.000 0.418 562 R N -0.320 120.224 120.500 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 0.273 0.000 1.133 562 R CA 1.564 57.720 56.100 0.094 0.000 0.935 562 R CB -1.014 29.507 30.300 0.368 0.000 0.853 562 R HN 0.490 nan 8.270 nan 0.000 0.433 563 A N 0.832 123.868 122.820 0.360 0.000 1.882 563 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 563 A C 2.430 180.184 177.584 0.283 0.000 1.253 563 A CA 2.459 54.713 52.037 0.362 0.000 0.664 563 A CB -1.130 18.024 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 0.085 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 -0.845 119.354 120.200 -0.003 0.000 2.037 565 E HA -0.284 4.066 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 2.481 58.803 56.400 -0.131 0.000 0.872 565 E CB -0.466 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 -0.372 4.178 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 1.822 59.996 58.100 0.123 0.000 1.102 566 Y CB -1.113 37.472 38.460 0.208 0.000 0.948 566 Y HN 0.289 nan 8.280 nan 0.000 0.489 567 N N 0.306 119.284 118.700 0.462 0.000 2.161 567 N HA -0.396 4.344 4.740 -0.000 0.000 0.199 567 N C 1.907 177.610 175.510 0.322 0.000 0.990 567 N CA 1.840 55.116 53.050 0.377 0.000 0.902 567 N CB -0.452 38.169 38.487 0.222 0.000 1.074 567 N HN 0.430 nan 8.380 nan 0.000 0.556 568 A N 0.878 123.817 122.820 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 1.177 53.300 52.037 0.145 0.000 0.631 568 A CB -0.709 18.349 19.000 0.097 0.000 0.814 568 A HN 0.433 nan 8.150 nan 0.000 0.446 569 L N -1.895 119.376 121.223 0.079 0.000 2.013 569 L HA -0.241 4.099 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 1.716 56.535 54.840 -0.036 0.000 0.753 569 L CB -0.674 41.256 42.059 -0.215 0.000 0.890 569 L HN 0.444 nan 8.230 nan 0.000 0.432 570 F N 0.114 120.117 119.950 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 1.249 59.278 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 -0.029 120.519 120.400 0.246 0.000 2.304 571 K HA -0.235 4.085 4.320 -0.000 0.000 0.204 571 K C 1.519 178.138 176.600 0.033 0.000 1.044 571 K CA 1.510 57.867 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 -1.880 118.527 120.400 0.012 0.000 2.678 572 K HA 0.124 4.444 4.320 -0.000 0.000 0.240 572 K C -0.310 176.142 176.600 -0.247 0.000 1.508 572 K CA 0.252 56.438 56.287 -0.168 0.000 0.824 572 K CB -0.105 32.255 32.500 -0.233 0.000 1.893 572 K HN -0.070 nan 8.250 nan 0.000 0.366 573 Y N 2.975 123.265 120.300 -0.017 0.000 2.994 573 Y HA 0.199 4.749 4.550 -0.000 0.000 0.393 573 Y C 0.488 176.354 175.900 -0.056 0.000 1.118 573 Y CA -0.614 57.473 58.100 -0.020 0.000 1.906 573 Y CB -0.904 37.544 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 1.805 178.048 176.300 -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 -0.121 118.973 119.070 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 1.424 57.491 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 1.642 56.970 55.300 0.047 0.000 1.110 576 M CB -0.250 32.364 32.600 0.023 0.000 1.374 576 M HN 0.328 nan 8.290 nan 0.000 0.411 577 R N 0.358 120.832 120.500 -0.044 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 -1.323 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 1.380 117.093 115.700 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 0.025 0.000 1.043 578 S CA 1.783 60.007 58.200 0.040 0.000 1.074 578 S CB -0.521 62.726 63.200 0.078 0.000 0.962 578 S HN 0.654 nan 8.310 nan 0.000 0.433 579 A N 1.042 123.877 122.820 0.025 0.000 1.930 579 A HA 0.028 4.348 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 1.065 53.110 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 1.649 56.484 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 -0.693 120.535 121.223 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 0.829 55.676 54.840 0.013 0.000 0.744 581 L CB -0.783 41.288 42.059 0.019 0.000 0.898 581 L HN 0.221 nan 8.230 nan 0.000 0.435 582 E N 1.162 121.359 120.200 -0.006 0.000 2.483 582 E HA -0.190 4.160 4.350 -0.000 0.000 0.207 582 E C -0.142 176.452 176.600 -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 0.108 120.606 120.500 -0.003 0.000 2.518 583 R HA 0.361 4.701 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 -0.387 55.717 56.100 0.007 0.000 0.922 583 R CB 1.384 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 2.947 122.560 119.600 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 -1.942 53.389 55.300 0.053 0.000 1.010 584 M CB 0.957 33.578 32.600 0.036 0.000 1.649 584 M HN 0.164 nan 8.290 nan 0.000 0.443 585 P HA 0.475 nan 4.420 nan 0.000 0.302 585 P C -1.094 176.249 177.300 0.072 0.000 1.301 585 P CA -0.588 62.545 63.100 0.056 0.000 0.745 585 P CB 0.550 32.276 31.700 0.043 0.000 1.331 586 V N -0.203 119.749 119.914 0.062 0.000 2.697 586 V HA 0.230 4.350 4.120 -0.000 0.000 0.296 586 V C -0.748 175.378 176.094 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 -0.100 176.222 176.300 0.037 0.000 1.173 587 M CA -0.264 55.057 55.300 0.035 0.000 1.075 587 M CB 1.236 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 1.603 121.821 120.200 0.029 0.000 2.248 588 E HA 0.551 4.901 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 3.065 32.782 29.700 0.028 0.000 1.182 588 E HN 0.444 nan 8.360 nan 0.000 0.418 589 K N 1.660 122.072 120.400 0.019 0.000 2.185 589 K HA 0.827 5.147 4.320 -0.000 0.000 0.240 589 K C -0.875 175.733 176.600 0.014 0.000 0.983 589 K CA -0.547 55.750 56.287 0.016 0.000 0.873 589 K CB 1.614 34.123 32.500 0.016 0.000 1.118 589 K HN 0.487 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