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 1ivv_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.586 177.584 0.003 0.000 1.274 9 A CA 0.000 52.039 52.037 0.003 0.000 0.836 9 A CB 0.000 19.005 19.000 0.009 0.000 0.831 10 S N 2.435 118.146 115.700 0.019 0.000 2.510 10 S HA 0.406 4.865 4.470 -0.018 0.000 0.279 10 S C -1.297 173.299 174.600 -0.006 0.000 1.284 10 S CA -0.555 57.675 58.200 0.050 0.000 1.059 10 S CB 0.778 64.042 63.200 0.108 0.000 0.901 10 S HN 0.363 nan 8.310 nan 0.000 0.491 11 P HA 0.017 nan 4.420 nan 0.000 0.239 11 P C 0.232 177.199 177.300 -0.555 0.000 1.184 11 P CA 0.717 63.621 63.100 -0.327 0.000 0.760 11 P CB -0.135 31.305 31.700 -0.433 0.000 0.884 12 F N 0.186 120.065 119.950 -0.118 0.000 2.695 12 F HA 0.196 4.712 4.527 -0.018 0.000 0.303 12 F C 1.663 177.388 175.800 -0.124 0.000 1.091 12 F CA -0.734 57.147 58.000 -0.197 0.000 1.300 12 F CB -0.148 38.730 39.000 -0.202 0.000 1.071 12 F HN -0.172 nan 8.300 nan 0.000 0.578 13 R N 1.238 121.766 120.500 0.046 0.000 2.827 13 R HA 0.168 4.497 4.340 -0.018 0.000 0.269 13 R C -0.279 176.035 176.300 0.023 0.000 1.048 13 R CA -0.317 55.816 56.100 0.054 0.000 1.173 13 R CB 0.341 30.666 30.300 0.042 0.000 1.070 13 R HN 0.162 nan 8.270 nan 0.000 0.498 14 L N 1.574 122.827 121.223 0.050 0.000 2.439 14 L HA 0.220 4.549 4.340 -0.018 0.000 0.269 14 L C 0.707 177.611 176.870 0.056 0.000 1.179 14 L CA -0.296 54.576 54.840 0.054 0.000 0.828 14 L CB 0.860 42.957 42.059 0.065 0.000 1.106 14 L HN 0.845 nan 8.230 nan 0.000 0.467 15 A N 2.257 125.121 122.820 0.074 0.000 2.498 15 A HA 0.373 4.682 4.320 -0.018 0.000 0.239 15 A C 0.361 178.022 177.584 0.128 0.000 1.068 15 A CA -0.178 51.960 52.037 0.167 0.000 0.766 15 A CB 0.073 19.241 19.000 0.279 0.000 1.003 15 A HN 0.762 nan 8.150 nan 0.000 0.497 16 S N 1.365 117.136 115.700 0.119 0.000 2.722 16 S HA 0.648 5.107 4.470 -0.018 0.000 0.292 16 S C 1.244 175.865 174.600 0.036 0.000 1.135 16 S CA -0.220 58.016 58.200 0.061 0.000 1.003 16 S CB 1.424 64.650 63.200 0.044 0.000 1.067 16 S HN 1.568 nan 8.310 nan 0.000 0.546 17 A N 1.413 124.242 122.820 0.015 0.000 1.865 17 A HA 0.086 4.395 4.320 -0.018 0.000 0.217 17 A C 2.220 179.790 177.584 -0.024 0.000 1.191 17 A CA 2.003 54.038 52.037 -0.003 0.000 0.623 17 A CB -1.972 17.026 19.000 -0.003 0.000 0.826 17 A HN 1.236 nan 8.150 nan 0.000 0.444 18 G N -0.632 108.157 108.800 -0.019 0.000 2.469 18 G HA2 -0.263 3.686 3.960 -0.018 0.000 0.220 18 G HA3 -0.263 3.686 3.960 -0.018 0.000 0.220 18 G C 1.433 176.292 174.900 -0.067 0.000 1.136 18 G CA 1.129 46.209 45.100 -0.033 0.000 0.759 18 G HN 0.692 nan 8.290 nan 0.000 0.562 19 E N -0.138 120.022 120.200 -0.067 0.000 2.106 19 E HA -0.012 4.327 4.350 -0.018 0.000 0.192 19 E C 2.543 178.934 176.600 -0.348 0.000 0.984 19 E CA 0.405 56.710 56.400 -0.158 0.000 0.806 19 E CB -0.093 29.594 29.700 -0.023 0.000 0.750 19 E HN 0.488 nan 8.360 nan 0.000 0.458 20 I N 0.843 121.267 120.570 -0.242 0.000 2.202 20 I HA -0.245 3.915 4.170 -0.018 0.000 0.242 20 I C 2.378 178.378 176.117 -0.194 0.000 1.091 20 I CA 0.847 61.995 61.300 -0.255 0.000 1.368 20 I CB -0.289 37.648 38.000 -0.104 0.000 1.058 20 I HN 0.006 nan 8.210 nan 0.000 0.410 21 S N 0.272 115.900 115.700 -0.121 0.000 2.383 21 S HA -0.241 4.219 4.470 -0.018 0.000 0.229 21 S C 1.887 176.426 174.600 -0.102 0.000 1.030 21 S CA 1.580 59.730 58.200 -0.084 0.000 1.002 21 S CB -0.264 62.903 63.200 -0.054 0.000 0.829 21 S HN 0.384 nan 8.310 nan 0.000 0.467 22 E N 1.139 121.260 120.200 -0.132 0.000 2.106 22 E HA -0.072 4.268 4.350 -0.018 0.000 0.192 22 E C 1.875 178.380 176.600 -0.158 0.000 0.984 22 E CA 0.835 57.159 56.400 -0.127 0.000 0.806 22 E CB -0.318 29.308 29.700 -0.122 0.000 0.750 22 E HN 0.246 nan 8.360 nan 0.000 0.458 23 V N 0.877 120.637 119.914 -0.257 0.000 2.407 23 V HA -0.275 3.835 4.120 -0.018 0.000 0.248 23 V C 2.547 178.558 176.094 -0.139 0.000 1.055 23 V CA 2.202 64.348 62.300 -0.256 0.000 1.049 23 V CB -0.581 30.981 31.823 -0.435 0.000 0.662 23 V HN 0.415 nan 8.190 nan 0.000 0.455 24 Q N 0.089 119.818 119.800 -0.118 0.000 2.084 24 Q HA -0.171 4.158 4.340 -0.018 0.000 0.202 24 Q C 2.253 178.228 176.000 -0.042 0.000 0.978 24 Q CA 2.052 57.820 55.803 -0.059 0.000 0.844 24 Q CB -0.472 28.242 28.738 -0.039 0.000 0.898 24 Q HN 0.641 nan 8.270 nan 0.000 0.426 25 G N 0.859 109.629 108.800 -0.051 0.000 2.422 25 G HA2 -0.219 3.730 3.960 -0.018 0.000 0.218 25 G HA3 -0.219 3.730 3.960 -0.018 0.000 0.218 25 G C 1.377 176.257 174.900 -0.033 0.000 1.146 25 G CA 0.862 45.940 45.100 -0.037 0.000 0.769 25 G HN 0.370 nan 8.290 nan 0.000 0.547 26 I N 0.266 120.810 120.570 -0.044 0.000 2.252 26 I HA -0.084 4.075 4.170 -0.018 0.000 0.245 26 I C 2.654 178.760 176.117 -0.019 0.000 1.102 26 I CA 0.553 61.834 61.300 -0.032 0.000 1.385 26 I CB -0.157 37.819 38.000 -0.040 0.000 1.064 26 I HN 0.121 nan 8.210 nan 0.000 0.414 27 L N 0.038 121.249 121.223 -0.020 0.000 2.027 27 L HA -0.176 4.153 4.340 -0.018 0.000 0.206 27 L C 2.784 179.654 176.870 -0.001 0.000 1.074 27 L CA 1.350 56.188 54.840 -0.004 0.000 0.745 27 L CB -0.600 41.459 42.059 -0.001 0.000 0.898 27 L HN 0.133 nan 8.230 nan 0.000 0.433 28 R N -0.430 120.068 120.500 -0.004 0.000 2.082 28 R HA -0.165 4.164 4.340 -0.018 0.000 0.234 28 R C 2.315 178.613 176.300 -0.003 0.000 1.136 28 R CA 2.162 58.261 56.100 -0.001 0.000 0.935 28 R CB -0.811 29.487 30.300 -0.003 0.000 0.842 28 R HN 0.288 nan 8.270 nan 0.000 0.430 29 T N 0.676 115.225 114.554 -0.007 0.000 2.737 29 T HA -0.187 4.152 4.350 -0.018 0.000 0.269 29 T C 1.680 176.377 174.700 -0.004 0.000 1.040 29 T CA 1.545 63.641 62.100 -0.007 0.000 1.142 29 T CB -0.205 68.657 68.868 -0.010 0.000 0.861 29 T HN 0.420 nan 8.240 nan 0.000 0.456 30 A N 0.203 123.021 122.820 -0.002 0.000 2.235 30 A HA 0.476 4.785 4.320 -0.018 0.000 0.208 30 A C 1.868 179.453 177.584 0.002 0.000 1.172 30 A CA 0.882 52.920 52.037 0.001 0.000 0.786 30 A CB -0.765 18.238 19.000 0.004 0.000 0.804 30 A HN 0.787 nan 8.150 nan 0.000 0.479 31 G N -1.241 107.559 108.800 0.001 0.000 2.160 31 G HA2 -0.233 3.716 3.960 -0.018 0.000 0.244 31 G HA3 -0.233 3.716 3.960 -0.018 0.000 0.244 31 G C 0.489 175.391 174.900 0.003 0.000 1.022 31 G CA 0.503 45.604 45.100 0.001 0.000 0.741 31 G HN 0.512 nan 8.290 nan 0.000 0.508 32 L N -1.426 119.801 121.223 0.007 0.000 2.616 32 L HA 0.477 4.806 4.340 -0.018 0.000 0.229 32 L C 1.062 177.942 176.870 0.016 0.000 1.110 32 L CA 0.107 54.954 54.840 0.012 0.000 0.884 32 L CB 0.614 42.684 42.059 0.019 0.000 1.115 32 L HN 0.210 nan 8.230 nan 0.000 0.481 33 L N 0.554 121.786 121.223 0.016 0.000 2.594 33 L HA 0.515 4.844 4.340 -0.018 0.000 0.245 33 L C 0.518 177.406 176.870 0.029 0.000 1.460 33 L CA -0.192 54.663 54.840 0.026 0.000 0.865 33 L CB 0.544 42.620 42.059 0.029 0.000 1.131 33 L HN -0.062 nan 8.230 nan 0.000 0.506 34 G N 0.838 109.650 108.800 0.020 0.000 2.588 34 G HA2 0.331 4.280 3.960 -0.018 0.000 0.278 34 G HA3 0.331 4.280 3.960 -0.018 0.000 0.278 34 G C -1.687 173.235 174.900 0.036 0.000 1.307 34 G CA -0.831 44.280 45.100 0.019 0.000 1.016 34 G HN 0.381 nan 8.290 nan 0.000 0.503 35 P HA -0.076 nan 4.420 nan 0.000 0.218 35 P C 1.320 178.658 177.300 0.062 0.000 1.146 35 P CA 0.985 64.112 63.100 0.045 0.000 0.813 35 P CB 0.306 32.017 31.700 0.018 0.000 0.778 36 E N -1.024 119.192 120.200 0.028 0.000 2.479 36 E HA 0.046 4.385 4.350 -0.018 0.000 0.193 36 E C 0.310 176.899 176.600 -0.018 0.000 1.049 36 E CA 0.540 56.942 56.400 0.003 0.000 0.870 36 E CB -0.008 29.672 29.700 -0.032 0.000 0.944 36 E HN 0.307 nan 8.360 nan 0.000 0.492 37 K N 1.384 121.793 120.400 0.016 0.000 2.118 37 K HA 0.365 4.674 4.320 -0.018 0.000 0.267 37 K C 0.372 176.992 176.600 0.032 0.000 0.991 37 K CA -0.505 55.784 56.287 0.004 0.000 0.916 37 K CB 1.497 34.008 32.500 0.017 0.000 1.041 37 K HN -0.182 nan 8.250 nan 0.000 0.455 38 R N 1.686 122.194 120.500 0.013 0.000 2.621 38 R HA 0.416 4.745 4.340 -0.018 0.000 0.284 38 R C -0.326 175.982 176.300 0.013 0.000 0.998 38 R CA -0.915 55.164 56.100 -0.034 0.000 0.895 38 R CB 1.274 31.573 30.300 -0.000 0.000 1.195 38 R HN 0.467 nan 8.270 nan 0.000 0.450 39 I N 2.744 123.286 120.570 -0.045 0.000 2.347 39 I HA 0.102 4.261 4.170 -0.018 0.000 0.294 39 I C 1.398 177.522 176.117 0.012 0.000 1.090 39 I CA 0.130 61.429 61.300 -0.002 0.000 1.314 39 I CB 0.526 38.496 38.000 -0.049 0.000 1.423 39 I HN 0.704 nan 8.210 nan 0.000 0.503 40 A N 6.799 129.686 122.820 0.111 0.000 2.132 40 A HA 0.002 4.311 4.320 -0.018 0.000 0.213 40 A C 0.424 178.121 177.584 0.188 0.000 1.154 40 A CA 0.631 52.749 52.037 0.135 0.000 0.753 40 A CB 0.118 19.231 19.000 0.188 0.000 0.826 40 A HN 0.665 nan 8.150 nan 0.000 0.469 41 Y N -1.906 118.401 120.300 0.012 0.000 2.409 41 Y HA 0.520 5.059 4.550 -0.018 0.000 0.321 41 Y C -1.924 173.861 175.900 -0.192 0.000 1.209 41 Y CA -1.198 56.808 58.100 -0.156 0.000 1.086 41 Y CB 0.903 39.122 38.460 -0.401 0.000 1.320 41 Y HN 0.162 nan 8.280 nan 0.000 0.440 42 L N 5.826 126.335 121.223 -1.190 0.000 2.470 42 L HA 1.029 5.359 4.340 -0.018 0.000 0.268 42 L C -1.167 175.198 176.870 -0.841 0.000 0.964 42 L CA -0.226 54.127 54.840 -0.813 0.000 0.839 42 L CB 2.079 43.966 42.059 -0.287 0.000 1.276 42 L HN 0.949 nan 8.230 nan 0.000 0.403 43 G N 2.956 111.431 108.800 -0.542 0.000 2.720 43 G HA2 0.459 4.409 3.960 -0.018 0.000 0.295 43 G HA3 0.459 4.409 3.960 -0.018 0.000 0.295 43 G C -1.825 172.906 174.900 -0.281 0.000 1.437 43 G CA -0.529 44.413 45.100 -0.263 0.000 0.886 43 G HN 0.552 nan 8.290 nan 0.000 0.509 44 V N 1.726 121.264 119.914 -0.625 0.000 2.811 44 V HA 0.554 4.663 4.120 -0.018 0.000 0.302 44 V C 0.240 176.060 176.094 -0.457 0.000 1.063 44 V CA -0.314 61.335 62.300 -1.086 0.000 1.088 44 V CB 0.714 31.846 31.823 -1.152 0.000 0.982 44 V HN 0.567 nan 8.190 nan 0.000 0.485 45 L N 4.628 125.628 121.223 -0.372 0.000 2.360 45 L HA 0.496 4.825 4.340 -0.018 0.000 0.271 45 L C -0.078 176.663 176.870 -0.215 0.000 1.057 45 L CA -0.861 53.866 54.840 -0.189 0.000 0.803 45 L CB 1.164 43.157 42.059 -0.109 0.000 1.207 45 L HN 0.581 nan 8.230 nan 0.000 0.445 46 D N 1.506 121.823 120.400 -0.139 0.000 2.341 46 D HA 0.228 4.857 4.640 -0.018 0.000 0.245 46 D C -2.058 174.133 176.300 -0.182 0.000 1.106 46 D CA -0.898 53.004 54.000 -0.164 0.000 0.905 46 D CB 0.578 41.382 40.800 0.007 0.000 1.202 46 D HN 0.228 nan 8.370 nan 0.000 0.426 47 P HA 0.138 nan 4.420 nan 0.000 0.267 47 P C -0.702 176.547 177.300 -0.086 0.000 1.200 47 P CA -0.159 62.809 63.100 -0.220 0.000 0.772 47 P CB 0.463 31.971 31.700 -0.319 0.000 0.855 48 A N 2.722 125.506 122.820 -0.060 0.000 2.448 48 A HA 0.200 4.510 4.320 -0.018 0.000 0.239 48 A C 0.696 178.261 177.584 -0.032 0.000 1.080 48 A CA 0.037 52.058 52.037 -0.025 0.000 0.779 48 A CB -0.027 18.962 19.000 -0.019 0.000 1.026 48 A HN 0.464 nan 8.150 nan 0.000 0.499 49 R N -0.153 120.315 120.500 -0.053 0.000 2.827 49 R HA 0.455 4.784 4.340 -0.018 0.000 0.269 49 R C 0.763 177.022 176.300 -0.068 0.000 1.048 49 R CA 1.206 57.227 56.100 -0.132 0.000 1.173 49 R CB -0.112 30.051 30.300 -0.228 0.000 1.070 49 R HN 2.167 nan 8.270 nan 0.000 0.498 50 G N 0.407 109.172 108.800 -0.059 0.000 3.172 50 G HA2 0.012 3.961 3.960 -0.018 0.000 0.686 50 G HA3 0.012 3.961 3.960 -0.018 0.000 0.686 50 G C 0.425 175.342 174.900 0.028 0.000 1.009 50 G CA -0.153 44.943 45.100 -0.006 0.000 0.787 50 G HN 0.768 nan 8.290 nan 0.000 0.559 51 A N 1.620 124.470 122.820 0.050 0.000 2.131 51 A HA 0.375 4.684 4.320 -0.018 0.000 0.220 51 A C 2.215 179.818 177.584 0.031 0.000 1.158 51 A CA 2.113 54.181 52.037 0.052 0.000 0.665 51 A CB -0.235 18.796 19.000 0.052 0.000 0.795 51 A HN 2.429 nan 8.150 nan 0.000 0.460 52 G N 1.311 110.124 108.800 0.021 0.000 2.734 52 G HA2 0.334 4.283 3.960 -0.018 0.000 0.287 52 G HA3 0.334 4.283 3.960 -0.018 0.000 0.287 52 G C 0.243 175.148 174.900 0.007 0.000 0.728 52 G CA 0.463 45.571 45.100 0.012 0.000 1.999 52 G HN 0.606 nan 8.290 nan 0.000 0.535 53 S N 1.065 116.770 115.700 0.009 0.000 2.567 53 S HA 0.292 4.751 4.470 -0.018 0.000 0.262 53 S C -0.047 174.552 174.600 -0.002 0.000 1.237 53 S CA -0.849 57.352 58.200 0.001 0.000 1.093 53 S CB 1.693 64.898 63.200 0.008 0.000 1.095 53 S HN 0.363 nan 8.310 nan 0.000 0.489 54 E N 3.327 123.524 120.200 -0.006 0.000 1.842 54 E HA 0.519 4.858 4.350 -0.018 0.000 0.278 54 E C 0.726 177.320 176.600 -0.009 0.000 1.171 54 E CA 0.654 57.051 56.400 -0.005 0.000 1.127 54 E CB -0.948 28.750 29.700 -0.004 0.000 1.100 54 E HN 0.994 nan 8.360 nan 0.000 0.456 55 A N 2.790 125.604 122.820 -0.009 0.000 6.506 55 A HA -0.273 4.036 4.320 -0.018 0.000 0.234 55 A C 0.157 177.728 177.584 -0.022 0.000 2.257 55 A CA 0.562 52.592 52.037 -0.012 0.000 0.695 55 A CB -0.868 18.127 19.000 -0.008 0.000 0.929 55 A HN 0.609 nan 8.150 nan 0.000 0.364 56 E N 0.206 120.392 120.200 -0.023 0.000 2.229 56 E HA 0.439 4.779 4.350 -0.018 0.000 0.283 56 E C -1.023 175.559 176.600 -0.030 0.000 1.030 56 E CA 0.128 56.507 56.400 -0.036 0.000 0.836 56 E CB 0.651 30.333 29.700 -0.030 0.000 1.068 56 E HN 0.539 nan 8.360 nan 0.000 0.401 57 D N 4.415 124.789 120.400 -0.043 0.000 2.364 57 D HA 0.136 4.765 4.640 -0.018 0.000 0.251 57 D C -1.110 175.167 176.300 -0.037 0.000 1.282 57 D CA -0.561 53.423 54.000 -0.027 0.000 0.927 57 D CB 0.357 41.144 40.800 -0.023 0.000 1.267 57 D HN 0.279 nan 8.370 nan 0.000 0.531 58 R N 3.156 123.652 120.500 -0.007 0.000 2.248 58 R HA 0.359 4.689 4.340 -0.018 0.000 0.337 58 R C 0.246 176.608 176.300 0.104 0.000 1.085 58 R CA -0.195 55.911 56.100 0.009 0.000 0.934 58 R CB 0.652 31.000 30.300 0.081 0.000 1.034 58 R HN 0.328 nan 8.270 nan 0.000 0.465 59 R N 2.163 122.679 120.500 0.026 0.000 2.668 59 R HA 0.510 4.840 4.340 -0.018 0.000 0.279 59 R C -0.606 175.734 176.300 0.067 0.000 0.976 59 R CA -0.554 55.608 56.100 0.103 0.000 0.978 59 R CB 1.258 31.577 30.300 0.032 0.000 1.133 59 R HN 0.233 nan 8.270 nan 0.000 0.484 60 F N 0.204 120.139 119.950 -0.024 0.000 2.576 60 F HA 0.479 4.995 4.527 -0.018 0.000 0.313 60 F C 0.170 175.969 175.800 -0.002 0.000 1.078 60 F CA -0.821 57.160 58.000 -0.032 0.000 0.921 60 F CB 2.030 40.998 39.000 -0.054 0.000 1.232 60 F HN 0.190 nan 8.300 nan 0.000 0.459 61 R N 1.666 122.267 120.500 0.169 0.000 2.514 61 R HA 0.879 5.208 4.340 -0.018 0.000 0.301 61 R C -1.917 174.457 176.300 0.124 0.000 0.962 61 R CA -0.594 55.612 56.100 0.177 0.000 0.882 61 R CB 1.704 32.125 30.300 0.201 0.000 1.143 61 R HN 0.540 nan 8.270 nan 0.000 0.452 62 V N 4.310 124.335 119.914 0.185 0.000 2.789 62 V HA 0.519 4.628 4.120 -0.018 0.000 0.311 62 V C -1.167 175.203 176.094 0.460 0.000 1.073 62 V CA -0.835 61.556 62.300 0.151 0.000 0.921 62 V CB 2.008 33.893 31.823 0.102 0.000 1.009 62 V HN 0.563 nan 8.190 nan 0.000 0.426 63 F N 3.945 124.045 119.950 0.251 0.000 2.402 63 F HA 0.628 5.144 4.527 -0.018 0.000 0.355 63 F C 0.051 175.938 175.800 0.145 0.000 1.123 63 F CA -1.758 56.388 58.000 0.243 0.000 1.021 63 F CB 1.288 40.486 39.000 0.330 0.000 1.160 63 F HN 0.220 nan 8.300 nan 0.000 0.451 64 I N 3.951 124.686 120.570 0.275 0.000 2.330 64 I HA 0.212 4.371 4.170 -0.018 0.000 0.289 64 I C -0.132 176.068 176.117 0.139 0.000 1.001 64 I CA -0.690 60.708 61.300 0.163 0.000 1.193 64 I CB 1.154 39.214 38.000 0.100 0.000 1.345 64 I HN 0.500 nan 8.210 nan 0.000 0.461 65 H N 5.830 124.917 119.070 0.029 0.000 2.482 65 H HA 0.316 4.861 4.556 -0.018 0.000 0.344 65 H C -1.060 174.258 175.328 -0.016 0.000 1.151 65 H CA -0.325 55.718 56.048 -0.009 0.000 1.300 65 H CB 1.287 31.038 29.762 -0.019 0.000 1.494 65 H HN 0.500 nan 8.280 nan 0.000 0.542 66 D N 4.136 124.135 120.400 -0.669 0.000 2.440 66 D HA 0.081 4.710 4.640 -0.018 0.000 0.239 66 D C 1.209 177.073 176.300 -0.727 0.000 1.084 66 D CA -0.420 53.281 54.000 -0.498 0.000 0.843 66 D CB 1.410 42.060 40.800 -0.250 0.000 1.097 66 D HN 0.501 nan 8.370 nan 0.000 0.531 67 V N 2.265 121.909 119.914 -0.450 0.000 2.913 67 V HA -0.125 3.984 4.120 -0.018 0.000 0.260 67 V C 1.832 177.851 176.094 -0.126 0.000 1.098 67 V CA 1.914 64.077 62.300 -0.229 0.000 1.121 67 V CB -0.715 31.080 31.823 -0.047 0.000 0.714 67 V HN 0.504 nan 8.190 nan 0.000 0.487 68 S N 0.120 115.744 115.700 -0.126 0.000 2.496 68 S HA 0.372 4.831 4.470 -0.018 0.000 0.224 68 S C 1.760 176.315 174.600 -0.076 0.000 0.996 68 S CA 1.026 59.181 58.200 -0.075 0.000 0.927 68 S CB 0.227 63.390 63.200 -0.061 0.000 0.774 68 S HN 1.797 nan 8.310 nan 0.000 0.524 69 G N 0.305 109.039 108.800 -0.111 0.000 2.192 69 G HA2 0.027 3.976 3.960 -0.018 0.000 0.193 69 G HA3 0.027 3.976 3.960 -0.018 0.000 0.193 69 G C 0.252 175.105 174.900 -0.079 0.000 0.999 69 G CA -0.116 44.937 45.100 -0.079 0.000 0.659 69 G HN 1.139 nan 8.290 nan 0.000 0.503 70 A N 0.456 123.219 122.820 -0.094 0.000 2.366 70 A HA 0.688 4.997 4.320 -0.018 0.000 0.249 70 A C 0.918 178.451 177.584 -0.084 0.000 1.084 70 A CA 0.004 51.995 52.037 -0.078 0.000 0.794 70 A CB 0.234 19.191 19.000 -0.072 0.000 1.034 70 A HN 0.509 nan 8.150 nan 0.000 0.491 71 R N 1.106 121.563 120.500 -0.072 0.000 2.640 71 R HA 0.155 4.484 4.340 -0.018 0.000 0.270 71 R C -2.148 174.104 176.300 -0.081 0.000 1.024 71 R CA -0.727 55.325 56.100 -0.080 0.000 1.085 71 R CB -0.077 30.175 30.300 -0.080 0.000 0.963 71 R HN 0.593 nan 8.270 nan 0.000 0.426 72 P HA 0.098 nan 4.420 nan 0.000 0.279 72 P C -1.029 176.220 177.300 -0.084 0.000 1.276 72 P CA -0.342 62.717 63.100 -0.067 0.000 0.801 72 P CB 1.007 32.673 31.700 -0.056 0.000 1.127 73 Q N -0.588 119.192 119.800 -0.034 0.000 2.423 73 Q HA 0.385 4.715 4.340 -0.018 0.000 0.278 73 Q C -0.834 175.200 176.000 0.056 0.000 1.097 73 Q CA -0.710 55.084 55.803 -0.016 0.000 0.809 73 Q CB 2.722 31.469 28.738 0.015 0.000 1.391 73 Q HN 0.475 nan 8.270 nan 0.000 0.428 74 E N 1.489 121.734 120.200 0.076 0.000 2.158 74 E HA 0.505 4.844 4.350 -0.018 0.000 0.271 74 E C -1.532 175.191 176.600 0.205 0.000 0.911 74 E CA -0.550 55.990 56.400 0.233 0.000 0.767 74 E CB 1.532 31.371 29.700 0.233 0.000 1.120 74 E HN 0.300 nan 8.360 nan 0.000 0.405 75 V N 3.316 123.379 119.914 0.247 0.000 2.709 75 V HA 0.378 4.488 4.120 -0.018 0.000 0.308 75 V C -0.422 175.774 176.094 0.169 0.000 1.062 75 V CA -0.772 61.627 62.300 0.166 0.000 0.901 75 V CB 2.265 34.162 31.823 0.123 0.000 1.003 75 V HN 0.724 nan 8.190 nan 0.000 0.425 76 T N 3.994 118.625 114.554 0.128 0.000 2.792 76 T HA 0.656 4.995 4.350 -0.018 0.000 0.280 76 T C -0.432 174.323 174.700 0.092 0.000 0.990 76 T CA -0.442 61.729 62.100 0.119 0.000 0.960 76 T CB 1.508 70.435 68.868 0.098 0.000 0.939 76 T HN 0.808 nan 8.240 nan 0.000 0.439 77 V N 0.785 120.761 119.914 0.103 0.000 2.769 77 V HA 0.869 4.978 4.120 -0.018 0.000 0.312 77 V C -0.046 176.104 176.094 0.093 0.000 1.061 77 V CA -0.920 61.425 62.300 0.075 0.000 0.931 77 V CB 2.114 33.963 31.823 0.042 0.000 1.010 77 V HN 0.772 nan 8.190 nan 0.000 0.433 78 S N 3.043 118.779 115.700 0.061 0.000 2.415 78 S HA 0.269 4.728 4.470 -0.018 0.000 0.313 78 S C 0.683 175.312 174.600 0.049 0.000 1.067 78 S CA 0.131 58.369 58.200 0.063 0.000 1.099 78 S CB 0.838 64.059 63.200 0.036 0.000 0.991 78 S HN 1.279 nan 8.310 nan 0.000 0.491 79 V N 5.388 125.348 119.914 0.076 0.000 2.759 79 V HA -0.084 4.025 4.120 -0.018 0.000 0.256 79 V C 1.980 178.082 176.094 0.013 0.000 1.080 79 V CA 2.608 64.911 62.300 0.006 0.000 1.101 79 V CB -0.823 30.963 31.823 -0.060 0.000 0.698 79 V HN 0.986 nan 8.190 nan 0.000 0.477 80 T N 0.810 115.386 114.554 0.036 0.000 2.732 80 T HA -0.090 4.250 4.350 -0.018 0.000 0.261 80 T C 1.596 176.301 174.700 0.008 0.000 1.040 80 T CA 1.649 63.760 62.100 0.020 0.000 1.145 80 T CB -0.311 68.568 68.868 0.019 0.000 0.866 80 T HN 0.490 nan 8.240 nan 0.000 0.427 81 N N 0.620 119.326 118.700 0.010 0.000 2.412 81 N HA 0.126 4.856 4.740 -0.018 0.000 0.184 81 N C 1.291 176.802 175.510 0.001 0.000 1.101 81 N CA 0.630 53.683 53.050 0.005 0.000 0.881 81 N CB 0.041 38.531 38.487 0.007 0.000 0.969 81 N HN 0.555 nan 8.380 nan 0.000 0.459 82 G N 1.456 110.255 108.800 -0.002 0.000 2.295 82 G HA2 -0.269 3.680 3.960 -0.018 0.000 0.287 82 G HA3 -0.269 3.680 3.960 -0.018 0.000 0.287 82 G C 0.147 175.044 174.900 -0.004 0.000 1.055 82 G CA 1.004 46.099 45.100 -0.009 0.000 0.922 82 G HN 0.518 nan 8.290 nan 0.000 0.503 83 T N -3.893 110.663 114.554 0.004 0.000 2.907 83 T HA 0.725 5.064 4.350 -0.018 0.000 0.290 83 T C -0.367 174.341 174.700 0.014 0.000 1.066 83 T CA -0.662 61.442 62.100 0.007 0.000 1.012 83 T CB 2.816 71.690 68.868 0.009 0.000 1.184 83 T HN 0.751 nan 8.240 nan 0.000 0.522 84 V N 2.929 122.853 119.914 0.016 0.000 2.370 84 V HA 0.240 4.350 4.120 -0.018 0.000 0.279 84 V C 0.989 177.100 176.094 0.027 0.000 1.029 84 V CA -0.764 61.551 62.300 0.025 0.000 0.870 84 V CB 0.829 32.666 31.823 0.023 0.000 0.984 84 V HN 0.814 nan 8.190 nan 0.000 0.451 85 I N 3.185 123.777 120.570 0.036 0.000 2.286 85 I HA 0.012 4.171 4.170 -0.018 0.000 0.245 85 I C 1.053 177.190 176.117 0.033 0.000 1.104 85 I CA 1.219 62.538 61.300 0.033 0.000 1.397 85 I CB -0.473 37.550 38.000 0.038 0.000 1.072 85 I HN 0.799 nan 8.210 nan 0.000 0.417 86 S N -0.657 115.069 115.700 0.043 0.000 2.587 86 S HA 0.814 5.273 4.470 -0.018 0.000 0.269 86 S C -0.989 173.643 174.600 0.054 0.000 1.154 86 S CA -0.436 57.789 58.200 0.042 0.000 0.824 86 S CB 2.479 65.705 63.200 0.043 0.000 1.118 86 S HN 0.372 nan 8.310 nan 0.000 0.462 87 A N 0.635 123.482 122.820 0.046 0.000 2.500 87 A HA 0.685 4.994 4.320 -0.018 0.000 0.288 87 A C -0.734 176.869 177.584 0.031 0.000 1.045 87 A CA -0.270 51.797 52.037 0.049 0.000 0.830 87 A CB 0.716 19.740 19.000 0.040 0.000 1.337 87 A HN 2.193 nan 8.150 nan 0.000 0.400 88 V N -0.292 119.640 119.914 0.030 0.000 2.823 88 V HA 0.732 4.841 4.120 -0.018 0.000 0.312 88 V C -0.240 175.838 176.094 -0.025 0.000 1.072 88 V CA -0.840 61.462 62.300 0.003 0.000 0.937 88 V CB 1.708 33.533 31.823 0.004 0.000 1.013 88 V HN 0.829 nan 8.190 nan 0.000 0.430 89 E N 2.858 123.033 120.200 -0.043 0.000 2.366 89 E HA 0.497 4.836 4.350 -0.018 0.000 0.266 89 E C -1.116 175.415 176.600 -0.116 0.000 1.051 89 E CA -0.407 55.951 56.400 -0.071 0.000 0.884 89 E CB 1.639 31.302 29.700 -0.060 0.000 1.006 89 E HN 0.615 nan 8.360 nan 0.000 0.417 90 L N 2.253 123.375 121.223 -0.169 0.000 2.313 90 L HA 0.232 4.561 4.340 -0.018 0.000 0.283 90 L C 0.040 176.780 176.870 -0.216 0.000 1.013 90 L CA -0.700 53.985 54.840 -0.258 0.000 0.816 90 L CB 1.290 43.074 42.059 -0.459 0.000 1.236 90 L HN 0.406 nan 8.230 nan 0.000 0.419 91 D N 1.901 122.185 120.400 -0.194 0.000 2.494 91 D HA 0.023 4.652 4.640 -0.018 0.000 0.217 91 D C 1.403 177.592 176.300 -0.184 0.000 1.153 91 D CA -0.156 53.755 54.000 -0.148 0.000 0.954 91 D CB 1.117 41.854 40.800 -0.105 0.000 1.034 91 D HN 0.699 nan 8.370 nan 0.000 0.518 92 T N 0.432 114.866 114.554 -0.202 0.000 2.897 92 T HA -0.166 4.173 4.350 -0.018 0.000 0.271 92 T C 1.723 176.339 174.700 -0.139 0.000 1.084 92 T CA 1.062 63.030 62.100 -0.219 0.000 1.123 92 T CB -0.028 68.724 68.868 -0.194 0.000 0.865 92 T HN 0.246 nan 8.240 nan 0.000 0.496 93 A N 0.701 123.465 122.820 -0.094 0.000 2.119 93 A HA 0.606 4.916 4.320 -0.018 0.000 0.217 93 A C 2.557 180.124 177.584 -0.028 0.000 1.153 93 A CA 1.195 53.200 52.037 -0.053 0.000 0.692 93 A CB -0.813 18.159 19.000 -0.046 0.000 0.799 93 A HN 0.743 nan 8.150 nan 0.000 0.458 94 A N -0.696 122.096 122.820 -0.048 0.000 1.909 94 A HA 0.124 4.433 4.320 -0.018 0.000 0.209 94 A C 2.211 179.802 177.584 0.011 0.000 1.247 94 A CA 1.713 53.742 52.037 -0.013 0.000 0.660 94 A CB -0.781 18.198 19.000 -0.035 0.000 0.910 94 A HN 0.626 nan 8.150 nan 0.000 0.465 95 T N -3.311 111.162 114.554 -0.135 0.000 3.081 95 T HA 0.461 4.800 4.350 -0.018 0.000 0.250 95 T C 0.866 175.198 174.700 -0.614 0.000 1.100 95 T CA 0.883 62.807 62.100 -0.294 0.000 1.038 95 T CB -0.140 68.582 68.868 -0.243 0.000 0.962 95 T HN 1.920 nan 8.240 nan 0.000 0.516 96 G N 1.019 109.582 108.800 -0.395 0.000 2.674 96 G HA2 0.051 4.000 3.960 -0.018 0.000 0.686 96 G HA3 0.051 4.000 3.960 -0.018 0.000 0.686 96 G C -1.040 173.702 174.900 -0.264 0.000 1.195 96 G CA -1.074 43.851 45.100 -0.291 0.000 0.776 96 G HN 0.252 nan 8.290 nan 0.000 0.654 97 E N 0.534 120.646 120.200 -0.146 0.000 2.374 97 E HA 0.442 4.781 4.350 -0.018 0.000 0.260 97 E C 1.265 177.804 176.600 -0.102 0.000 1.101 97 E CA -0.414 55.892 56.400 -0.155 0.000 0.907 97 E CB 0.899 30.528 29.700 -0.118 0.000 1.014 97 E HN 0.511 nan 8.360 nan 0.000 0.427 98 L N 1.841 123.003 121.223 -0.101 0.000 2.472 98 L HA 0.191 4.520 4.340 -0.018 0.000 0.260 98 L C -1.934 174.950 176.870 0.023 0.000 1.209 98 L CA -1.774 53.086 54.840 0.034 0.000 0.817 98 L CB -0.292 41.796 42.059 0.048 0.000 1.106 98 L HN 0.148 nan 8.230 nan 0.000 0.479 99 P HA -0.016 nan 4.420 nan 0.000 0.268 99 P C -0.650 176.621 177.300 -0.049 0.000 1.208 99 P CA -0.244 62.889 63.100 0.054 0.000 0.777 99 P CB 0.415 32.200 31.700 0.142 0.000 0.875 100 V N 3.697 123.540 119.914 -0.118 0.000 2.673 100 V HA -0.033 4.076 4.120 -0.018 0.000 0.303 100 V C 0.831 176.817 176.094 -0.180 0.000 1.046 100 V CA 0.259 62.387 62.300 -0.286 0.000 1.126 100 V CB -0.323 31.177 31.823 -0.538 0.000 0.934 100 V HN 0.335 nan 8.190 nan 0.000 0.487 101 L N 3.146 124.204 121.223 -0.275 0.000 2.375 101 L HA 0.284 4.613 4.340 -0.018 0.000 0.271 101 L C 1.549 178.403 176.870 -0.027 0.000 1.107 101 L CA -0.064 54.705 54.840 -0.119 0.000 0.806 101 L CB 0.909 42.877 42.059 -0.152 0.000 1.146 101 L HN 0.745 nan 8.230 nan 0.000 0.447 102 E N 1.345 121.671 120.200 0.211 0.000 2.085 102 E HA -0.261 4.079 4.350 -0.018 0.000 0.194 102 E C 1.698 178.482 176.600 0.306 0.000 0.994 102 E CA 1.844 58.516 56.400 0.454 0.000 0.801 102 E CB 0.195 30.103 29.700 0.347 0.000 0.743 102 E HN 0.773 nan 8.360 nan 0.000 0.453 103 E N 0.335 120.616 120.200 0.134 0.000 2.160 103 E HA -0.255 4.084 4.350 -0.018 0.000 0.195 103 E C 1.695 178.325 176.600 0.050 0.000 0.991 103 E CA 1.361 57.821 56.400 0.101 0.000 0.810 103 E CB -0.308 29.433 29.700 0.068 0.000 0.742 103 E HN 0.383 nan 8.360 nan 0.000 0.466 104 E N 0.084 120.242 120.200 -0.070 0.000 2.204 104 E HA -0.122 4.218 4.350 -0.018 0.000 0.194 104 E C 1.664 178.177 176.600 -0.145 0.000 0.989 104 E CA 0.866 57.166 56.400 -0.168 0.000 0.824 104 E CB -0.204 29.300 29.700 -0.327 0.000 0.756 104 E HN 0.290 nan 8.360 nan 0.000 0.477 105 F N 1.507 121.481 119.950 0.041 0.000 2.146 105 F HA -0.122 4.394 4.527 -0.018 0.000 0.298 105 F C 2.242 178.076 175.800 0.056 0.000 1.096 105 F CA 1.176 59.211 58.000 0.058 0.000 1.275 105 F CB -0.407 38.654 39.000 0.102 0.000 1.008 105 F HN -0.085 nan 8.300 nan 0.000 0.480 106 E N 0.202 120.549 120.200 0.245 0.000 2.097 106 E HA -0.179 4.160 4.350 -0.018 0.000 0.196 106 E C 2.377 179.033 176.600 0.094 0.000 1.000 106 E CA 1.377 57.870 56.400 0.155 0.000 0.804 106 E CB -0.660 29.119 29.700 0.131 0.000 0.740 106 E HN 0.115 nan 8.360 nan 0.000 0.454 107 V N 0.335 120.286 119.914 0.063 0.000 2.250 107 V HA -0.352 3.757 4.120 -0.018 0.000 0.250 107 V C 2.251 178.340 176.094 -0.009 0.000 1.060 107 V CA 1.941 64.252 62.300 0.017 0.000 1.030 107 V CB -0.790 31.026 31.823 -0.011 0.000 0.643 107 V HN 0.161 nan 8.190 nan 0.000 0.445 108 V N -0.265 119.643 119.914 -0.009 0.000 2.233 108 V HA -0.418 3.691 4.120 -0.018 0.000 0.252 108 V C 2.432 178.463 176.094 -0.104 0.000 1.063 108 V CA 2.715 64.979 62.300 -0.060 0.000 1.032 108 V CB -0.767 31.045 31.823 -0.019 0.000 0.645 108 V HN 0.692 nan 8.190 nan 0.000 0.446 109 E N -0.533 119.649 120.200 -0.031 0.000 2.077 109 E HA -0.274 4.065 4.350 -0.018 0.000 0.193 109 E C 2.324 178.902 176.600 -0.038 0.000 0.989 109 E CA 1.591 57.975 56.400 -0.026 0.000 0.800 109 E CB -0.100 29.632 29.700 0.053 0.000 0.746 109 E HN 0.733 nan 8.360 nan 0.000 0.452 110 Q N 0.253 120.045 119.800 -0.013 0.000 2.002 110 Q HA -0.203 4.126 4.340 -0.018 0.000 0.204 110 Q C 2.490 178.469 176.000 -0.036 0.000 0.988 110 Q CA 1.767 57.566 55.803 -0.006 0.000 0.843 110 Q CB -0.236 28.507 28.738 0.009 0.000 0.908 110 Q HN 0.363 nan 8.270 nan 0.000 0.420 111 L N 0.370 121.552 121.223 -0.068 0.000 2.017 111 L HA -0.208 4.121 4.340 -0.018 0.000 0.208 111 L C 2.437 179.223 176.870 -0.141 0.000 1.073 111 L CA 0.983 55.770 54.840 -0.089 0.000 0.745 111 L CB -0.564 41.433 42.059 -0.103 0.000 0.894 111 L HN 0.273 nan 8.230 nan 0.000 0.432 112 L N -0.108 120.951 121.223 -0.273 0.000 2.079 112 L HA -0.201 4.129 4.340 -0.018 0.000 0.210 112 L C 2.854 179.612 176.870 -0.187 0.000 1.081 112 L CA 1.058 55.587 54.840 -0.519 0.000 0.752 112 L CB -0.698 40.648 42.059 -1.189 0.000 0.896 112 L HN 0.264 nan 8.230 nan 0.000 0.433 113 A N -0.219 122.586 122.820 -0.026 0.000 2.019 113 A HA -0.178 4.131 4.320 -0.018 0.000 0.219 113 A C 2.150 179.799 177.584 0.108 0.000 1.164 113 A CA 2.057 54.171 52.037 0.128 0.000 0.644 113 A CB -0.684 18.371 19.000 0.091 0.000 0.805 113 A HN 0.526 nan 8.150 nan 0.000 0.449 114 T N -3.246 111.338 114.554 0.049 0.000 3.092 114 T HA 0.152 4.491 4.350 -0.018 0.000 0.258 114 T C 0.198 174.925 174.700 0.046 0.000 1.031 114 T CA 0.019 62.146 62.100 0.045 0.000 0.925 114 T CB -0.093 68.788 68.868 0.021 0.000 1.036 114 T HN 0.356 nan 8.240 nan 0.000 0.544 115 D N 2.181 122.617 120.400 0.060 0.000 2.277 115 D HA 0.074 4.704 4.640 -0.018 0.000 0.249 115 D C 1.118 177.488 176.300 0.116 0.000 1.134 115 D CA -0.073 53.966 54.000 0.065 0.000 0.863 115 D CB 1.759 42.581 40.800 0.035 0.000 1.143 115 D HN 0.531 nan 8.370 nan 0.000 0.458 116 E N 4.022 124.266 120.200 0.073 0.000 2.110 116 E HA -0.210 4.129 4.350 -0.018 0.000 0.193 116 E C 1.599 178.243 176.600 0.074 0.000 0.988 116 E CA 0.996 57.435 56.400 0.064 0.000 0.804 116 E CB -0.004 29.717 29.700 0.035 0.000 0.745 116 E HN 0.395 nan 8.360 nan 0.000 0.458 117 R N -0.282 120.267 120.500 0.081 0.000 2.096 117 R HA -0.086 4.244 4.340 -0.018 0.000 0.235 117 R C 2.127 178.507 176.300 0.133 0.000 1.127 117 R CA 1.651 57.798 56.100 0.078 0.000 0.968 117 R CB -0.482 29.857 30.300 0.064 0.000 0.861 117 R HN 0.465 nan 8.270 nan 0.000 0.440 118 W N 1.245 122.524 121.300 -0.036 0.000 2.408 118 W HA -0.113 4.536 4.660 -0.018 0.000 0.311 118 W C 1.472 177.978 176.519 -0.022 0.000 1.190 118 W CA 1.089 58.415 57.345 -0.032 0.000 1.321 118 W CB -0.158 29.286 29.460 -0.028 0.000 1.143 118 W HN 0.063 nan 8.180 nan 0.000 0.501 119 L N 0.914 122.223 121.223 0.144 0.000 2.127 119 L HA -0.258 4.071 4.340 -0.018 0.000 0.211 119 L C 2.620 179.459 176.870 -0.051 0.000 1.089 119 L CA 1.604 56.456 54.840 0.021 0.000 0.757 119 L CB -0.845 41.255 42.059 0.068 0.000 0.899 119 L HN -0.054 nan 8.230 nan 0.000 0.434 120 K N 0.270 120.654 120.400 -0.026 0.000 2.057 120 K HA -0.172 4.137 4.320 -0.018 0.000 0.206 120 K C 2.164 178.709 176.600 -0.091 0.000 1.050 120 K CA 1.257 57.518 56.287 -0.043 0.000 0.935 120 K CB -0.049 32.441 32.500 -0.017 0.000 0.715 120 K HN 0.269 nan 8.250 nan 0.000 0.439 121 A N 1.374 124.110 122.820 -0.140 0.000 1.898 121 A HA -0.112 4.197 4.320 -0.018 0.000 0.216 121 A C 2.098 179.525 177.584 -0.261 0.000 1.181 121 A CA 1.183 53.096 52.037 -0.206 0.000 0.620 121 A CB -0.595 18.236 19.000 -0.283 0.000 0.819 121 A HN 0.293 nan 8.150 nan 0.000 0.442 122 L N -0.843 120.173 121.223 -0.346 0.000 2.046 122 L HA -0.203 4.127 4.340 -0.018 0.000 0.208 122 L C 3.091 179.862 176.870 -0.166 0.000 1.077 122 L CA 1.164 55.824 54.840 -0.300 0.000 0.747 122 L CB -0.697 41.172 42.059 -0.317 0.000 0.896 122 L HN 0.460 nan 8.230 nan 0.000 0.432 123 A N 0.184 122.929 122.820 -0.124 0.000 1.930 123 A HA -0.111 4.198 4.320 -0.018 0.000 0.217 123 A C 2.492 180.033 177.584 -0.072 0.000 1.175 123 A CA 1.503 53.493 52.037 -0.078 0.000 0.627 123 A CB -0.583 18.384 19.000 -0.055 0.000 0.815 123 A HN 0.393 nan 8.150 nan 0.000 0.443 124 A N -0.607 122.164 122.820 -0.081 0.000 2.125 124 A HA -0.091 4.218 4.320 -0.018 0.000 0.219 124 A C 2.057 179.600 177.584 -0.067 0.000 1.156 124 A CA 1.431 53.427 52.037 -0.068 0.000 0.671 124 A CB -0.297 18.660 19.000 -0.071 0.000 0.794 124 A HN 0.550 nan 8.150 nan 0.000 0.459 125 R N -1.186 119.264 120.500 -0.082 0.000 2.437 125 R HA 0.121 4.450 4.340 -0.018 0.000 0.257 125 R C -0.304 175.958 176.300 -0.063 0.000 0.927 125 R CA 0.141 56.198 56.100 -0.072 0.000 1.078 125 R CB 0.342 30.587 30.300 -0.091 0.000 1.161 125 R HN 0.430 nan 8.270 nan 0.000 0.529 126 N N 0.856 119.519 118.700 -0.062 0.000 2.780 126 N HA -0.169 4.560 4.740 -0.018 0.000 0.248 126 N C -1.064 174.415 175.510 -0.053 0.000 1.102 126 N CA 0.909 53.930 53.050 -0.049 0.000 0.697 126 N CB -1.502 36.963 38.487 -0.037 0.000 1.028 126 N HN 0.255 nan 8.380 nan 0.000 0.554 127 L N 0.210 121.390 121.223 -0.071 0.000 2.307 127 L HA 0.358 4.688 4.340 -0.018 0.000 0.284 127 L C 0.593 177.429 176.870 -0.057 0.000 1.023 127 L CA -0.877 53.921 54.840 -0.070 0.000 0.810 127 L CB 1.498 43.497 42.059 -0.100 0.000 1.231 127 L HN -0.091 nan 8.230 nan 0.000 0.423 128 D N 2.130 122.509 120.400 -0.035 0.000 2.339 128 D HA 0.012 4.641 4.640 -0.018 0.000 0.256 128 D C 0.787 177.086 176.300 -0.003 0.000 1.214 128 D CA 0.051 54.042 54.000 -0.015 0.000 0.877 128 D CB 1.868 42.665 40.800 -0.005 0.000 1.111 128 D HN 0.289 nan 8.370 nan 0.000 0.478 129 V N 4.059 123.980 119.914 0.012 0.000 2.380 129 V HA -0.274 3.836 4.120 -0.018 0.000 0.251 129 V C 2.120 178.254 176.094 0.068 0.000 1.063 129 V CA 2.953 65.285 62.300 0.054 0.000 1.055 129 V CB -0.565 31.309 31.823 0.086 0.000 0.657 129 V HN 0.761 nan 8.190 nan 0.000 0.455 130 S N -1.022 114.707 115.700 0.049 0.000 2.469 130 S HA -0.164 4.295 4.470 -0.018 0.000 0.238 130 S C 1.700 176.326 174.600 0.042 0.000 0.998 130 S CA 1.379 59.608 58.200 0.047 0.000 0.957 130 S CB -0.429 62.793 63.200 0.037 0.000 0.764 130 S HN 0.757 nan 8.310 nan 0.000 0.514 131 K N 0.574 120.994 120.400 0.033 0.000 2.358 131 K HA 0.286 4.595 4.320 -0.018 0.000 0.200 131 K C -0.698 175.918 176.600 0.027 0.000 1.030 131 K CA -0.043 56.257 56.287 0.021 0.000 1.097 131 K CB 0.938 33.441 32.500 0.005 0.000 0.862 131 K HN 0.218 nan 8.250 nan 0.000 0.534 132 V N 3.719 123.666 119.914 0.056 0.000 2.334 132 V HA 0.185 4.294 4.120 -0.018 0.000 0.267 132 V C 0.188 176.360 176.094 0.130 0.000 1.040 132 V CA -0.741 61.610 62.300 0.086 0.000 0.866 132 V CB 0.600 32.481 31.823 0.097 0.000 1.019 132 V HN 0.156 nan 8.190 nan 0.000 0.468 133 R N 3.320 123.881 120.500 0.102 0.000 2.539 133 R HA 0.553 4.882 4.340 -0.018 0.000 0.275 133 R C -0.644 175.775 176.300 0.197 0.000 1.077 133 R CA -0.392 55.767 56.100 0.098 0.000 1.097 133 R CB 1.567 31.858 30.300 -0.014 0.000 1.018 133 R HN 0.431 nan 8.270 nan 0.000 0.483 134 V N 1.661 121.693 119.914 0.196 0.000 2.487 134 V HA 0.400 4.509 4.120 -0.018 0.000 0.298 134 V C -0.081 176.175 176.094 0.270 0.000 1.028 134 V CA -1.100 61.359 62.300 0.265 0.000 0.860 134 V CB 1.803 33.731 31.823 0.176 0.000 0.991 134 V HN 0.848 nan 8.190 nan 0.000 0.427 135 A N 7.616 130.681 122.820 0.408 0.000 2.343 135 A HA 0.634 4.943 4.320 -0.018 0.000 0.305 135 A C -2.265 175.564 177.584 0.408 0.000 1.308 135 A CA -1.379 50.925 52.037 0.445 0.000 0.949 135 A CB 0.083 19.510 19.000 0.711 0.000 1.148 135 A HN 0.573 nan 8.150 nan 0.000 0.545 136 P HA 0.321 nan 4.420 nan 0.000 0.274 136 P C -0.738 176.831 177.300 0.449 0.000 1.470 136 P CA 0.213 63.526 63.100 0.356 0.000 1.001 136 P CB 0.435 32.388 31.700 0.421 0.000 1.332 137 L N 2.138 123.568 121.223 0.345 0.000 2.334 137 L HA 0.439 4.768 4.340 -0.018 0.000 0.270 137 L C 1.213 178.207 176.870 0.207 0.000 1.018 137 L CA -1.009 54.030 54.840 0.333 0.000 0.811 137 L CB 1.353 43.587 42.059 0.292 0.000 1.271 137 L HN 0.282 nan 8.230 nan 0.000 0.443 138 S N 0.319 116.128 115.700 0.181 0.000 2.566 138 S HA 0.174 4.633 4.470 -0.018 0.000 0.280 138 S C 0.746 175.426 174.600 0.133 0.000 1.343 138 S CA -0.035 58.209 58.200 0.074 0.000 1.036 138 S CB 1.269 64.533 63.200 0.106 0.000 0.866 138 S HN 0.740 nan 8.310 nan 0.000 0.526 139 A N 2.563 125.409 122.820 0.043 0.000 1.997 139 A HA 0.595 4.904 4.320 -0.018 0.000 0.212 139 A C 1.516 179.232 177.584 0.219 0.000 1.178 139 A CA 0.623 52.676 52.037 0.027 0.000 0.698 139 A CB -1.421 17.508 19.000 -0.118 0.000 0.842 139 A HN 2.336 nan 8.150 nan 0.000 0.458 140 G N -1.635 107.254 108.800 0.147 0.000 2.750 140 G HA2 -0.054 3.895 3.960 -0.018 0.000 0.228 140 G HA3 -0.054 3.895 3.960 -0.018 0.000 0.228 140 G C -0.402 174.450 174.900 -0.081 0.000 1.367 140 G CA -0.239 44.910 45.100 0.082 0.000 0.871 140 G HN 1.058 nan 8.290 nan 0.000 0.560 141 V N 1.282 120.944 119.914 -0.419 0.000 2.376 141 V HA 0.724 4.833 4.120 -0.018 0.000 0.287 141 V C -0.045 175.566 176.094 -0.806 0.000 1.015 141 V CA -0.267 61.783 62.300 -0.415 0.000 0.834 141 V CB 0.890 32.522 31.823 -0.320 0.000 1.001 141 V HN 0.648 nan 8.190 nan 0.000 0.428 142 F N 1.962 121.885 119.950 -0.046 0.000 3.124 142 F HA 0.444 4.960 4.527 -0.018 0.000 0.280 142 F C 1.558 177.210 175.800 -0.246 0.000 1.519 142 F CA -0.665 57.258 58.000 -0.128 0.000 0.994 142 F CB 0.357 39.288 39.000 -0.113 0.000 1.823 142 F HN 0.433 nan 8.300 nan 0.000 0.390 143 E N 0.463 120.492 120.200 -0.284 0.000 2.465 143 E HA -0.022 4.317 4.350 -0.018 0.000 0.191 143 E C -1.014 175.379 176.600 -0.345 0.000 1.053 143 E CA 0.281 56.483 56.400 -0.331 0.000 0.869 143 E CB -0.897 28.630 29.700 -0.287 0.000 0.977 143 E HN 0.497 nan 8.360 nan 0.000 0.483 144 Y N 1.184 121.527 120.300 0.073 0.000 2.650 144 Y HA 0.473 5.012 4.550 -0.018 0.000 0.343 144 Y C 1.584 177.493 175.900 0.015 0.000 1.078 144 Y CA -0.334 57.794 58.100 0.046 0.000 1.356 144 Y CB 0.720 39.204 38.460 0.040 0.000 1.204 144 Y HN 0.045 nan 8.280 nan 0.000 0.508 145 A N 2.334 125.220 122.820 0.110 0.000 1.986 145 A HA -0.231 4.078 4.320 -0.018 0.000 0.220 145 A C 2.195 179.814 177.584 0.058 0.000 1.171 145 A CA 1.865 53.936 52.037 0.057 0.000 0.640 145 A CB -0.293 18.728 19.000 0.036 0.000 0.811 145 A HN 0.763 nan 8.150 nan 0.000 0.451 146 E N 0.597 120.848 120.200 0.084 0.000 2.338 146 E HA -0.202 4.138 4.350 -0.018 0.000 0.197 146 E C 1.191 177.812 176.600 0.035 0.000 1.007 146 E CA 1.382 57.813 56.400 0.052 0.000 0.849 146 E CB -0.442 29.290 29.700 0.053 0.000 0.774 146 E HN 0.780 nan 8.360 nan 0.000 0.506 147 E N 0.797 121.030 120.200 0.055 0.000 2.371 147 E HA 0.026 4.366 4.350 -0.018 0.000 0.194 147 E C 0.227 176.824 176.600 -0.005 0.000 1.012 147 E CA -0.150 56.261 56.400 0.018 0.000 0.860 147 E CB 0.031 29.752 29.700 0.035 0.000 0.811 147 E HN 0.190 nan 8.360 nan 0.000 0.502 148 R N 0.580 121.080 120.500 -0.000 0.000 2.483 148 R HA 0.092 4.421 4.340 -0.018 0.000 0.329 148 R C 0.820 177.104 176.300 -0.027 0.000 0.961 148 R CA 0.715 56.804 56.100 -0.018 0.000 1.041 148 R CB 0.048 30.338 30.300 -0.016 0.000 0.930 148 R HN 0.289 nan 8.270 nan 0.000 0.413 149 G N 2.652 111.429 108.800 -0.040 0.000 2.194 149 G HA2 -0.279 3.671 3.960 -0.018 0.000 0.236 149 G HA3 -0.279 3.671 3.960 -0.018 0.000 0.236 149 G C 0.109 174.980 174.900 -0.047 0.000 0.987 149 G CA -0.393 44.678 45.100 -0.048 0.000 0.635 149 G HN 0.521 nan 8.290 nan 0.000 0.520 150 R N -0.126 120.348 120.500 -0.044 0.000 2.668 150 R HA 0.684 5.013 4.340 -0.018 0.000 0.279 150 R C -0.031 176.230 176.300 -0.065 0.000 0.976 150 R CA -0.901 55.171 56.100 -0.046 0.000 0.978 150 R CB 1.101 31.378 30.300 -0.039 0.000 1.133 150 R HN 0.130 nan 8.270 nan 0.000 0.484 151 R N 2.231 122.688 120.500 -0.071 0.000 2.230 151 R HA 0.323 4.652 4.340 -0.018 0.000 0.337 151 R C -0.320 175.910 176.300 -0.117 0.000 1.063 151 R CA -0.264 55.772 56.100 -0.108 0.000 0.935 151 R CB 0.433 30.656 30.300 -0.129 0.000 1.121 151 R HN 0.297 nan 8.270 nan 0.000 0.486 152 I N 4.343 124.838 120.570 -0.126 0.000 2.525 152 I HA 0.426 4.586 4.170 -0.018 0.000 0.301 152 I C 0.052 176.072 176.117 -0.162 0.000 0.992 152 I CA -0.791 60.425 61.300 -0.140 0.000 1.162 152 I CB 1.683 39.590 38.000 -0.155 0.000 1.332 152 I HN 0.479 nan 8.210 nan 0.000 0.458 153 L N 5.305 126.432 121.223 -0.160 0.000 2.408 153 L HA 0.517 4.846 4.340 -0.018 0.000 0.268 153 L C -0.313 176.464 176.870 -0.154 0.000 0.986 153 L CA -0.774 53.983 54.840 -0.138 0.000 0.820 153 L CB 2.545 44.537 42.059 -0.111 0.000 1.303 153 L HN 0.524 nan 8.230 nan 0.000 0.411 154 R N 1.166 121.544 120.500 -0.204 0.000 2.532 154 R HA 0.686 5.015 4.340 -0.018 0.000 0.295 154 R C -0.151 176.111 176.300 -0.063 0.000 0.968 154 R CA -0.714 55.211 56.100 -0.291 0.000 0.916 154 R CB 1.937 31.657 30.300 -0.967 0.000 1.124 154 R HN 0.731 nan 8.270 nan 0.000 0.463 155 G N 2.431 111.233 108.800 0.004 0.000 2.452 155 G HA2 0.610 4.560 3.960 -0.018 0.000 0.324 155 G HA3 0.610 4.560 3.960 -0.018 0.000 0.324 155 G C -0.945 174.129 174.900 0.291 0.000 1.214 155 G CA -0.641 44.538 45.100 0.133 0.000 0.947 155 G HN 0.295 nan 8.290 nan 0.000 0.478 156 L N 1.303 122.784 121.223 0.430 0.000 2.365 156 L HA 0.697 5.026 4.340 -0.018 0.000 0.273 156 L C 0.465 177.533 176.870 0.330 0.000 1.000 156 L CA -1.005 54.092 54.840 0.429 0.000 0.819 156 L CB 2.239 44.652 42.059 0.590 0.000 1.284 156 L HN 0.644 nan 8.230 nan 0.000 0.418 157 A N 2.938 125.823 122.820 0.107 0.000 2.304 157 A HA 0.840 5.149 4.320 -0.018 0.000 0.301 157 A C -1.177 176.130 177.584 -0.462 0.000 1.132 157 A CA -0.124 51.926 52.037 0.022 0.000 0.819 157 A CB 0.404 19.431 19.000 0.045 0.000 1.094 157 A HN 0.506 nan 8.150 nan 0.000 0.492 158 F N 0.929 120.871 119.950 -0.013 0.000 2.574 158 F HA 0.400 4.916 4.527 -0.018 0.000 0.313 158 F C -0.143 175.614 175.800 -0.070 0.000 1.130 158 F CA -0.652 57.292 58.000 -0.094 0.000 0.936 158 F CB 2.234 41.061 39.000 -0.288 0.000 1.219 158 F HN 0.317 nan 8.300 nan 0.000 0.445 159 V N 3.061 123.041 119.914 0.110 0.000 2.530 159 V HA 0.268 4.377 4.120 -0.018 0.000 0.282 159 V C -0.247 175.885 176.094 0.062 0.000 1.048 159 V CA -0.425 61.902 62.300 0.044 0.000 0.997 159 V CB 1.338 33.139 31.823 -0.037 0.000 0.987 159 V HN 0.763 nan 8.190 nan 0.000 0.477 160 Q N 2.841 122.635 119.800 -0.009 0.000 2.357 160 Q HA 0.258 4.588 4.340 -0.018 0.000 0.266 160 Q C -0.141 175.811 176.000 -0.080 0.000 1.021 160 Q CA -0.668 55.096 55.803 -0.064 0.000 0.784 160 Q CB 1.398 30.073 28.738 -0.104 0.000 1.243 160 Q HN 0.762 nan 8.270 nan 0.000 0.465 161 D N 3.579 123.916 120.400 -0.105 0.000 2.269 161 D HA 0.035 4.665 4.640 -0.018 0.000 0.208 161 D C -0.059 176.393 176.300 0.254 0.000 0.963 161 D CA 1.056 55.093 54.000 0.060 0.000 0.864 161 D CB 0.119 41.028 40.800 0.183 0.000 0.936 161 D HN 0.415 nan 8.370 nan 0.000 0.505 162 F N -4.299 115.648 119.950 -0.006 0.000 2.741 162 F HA 0.384 4.901 4.527 -0.018 0.000 0.313 162 F C -2.468 173.328 175.800 -0.007 0.000 1.153 162 F CA -2.287 55.706 58.000 -0.011 0.000 0.931 162 F CB 0.413 39.400 39.000 -0.021 0.000 1.335 162 F HN -0.425 nan 8.300 nan 0.000 0.460 163 P HA -0.159 nan 4.420 nan 0.000 0.216 163 P C 0.323 177.603 177.300 -0.034 0.000 1.157 163 P CA 2.271 65.394 63.100 0.040 0.000 0.880 163 P CB 0.128 31.880 31.700 0.086 0.000 0.791 164 E N -1.297 118.920 120.200 0.028 0.000 2.445 164 E HA 0.070 4.409 4.350 -0.018 0.000 0.189 164 E C 0.061 176.467 176.600 -0.323 0.000 1.069 164 E CA 0.047 56.427 56.400 -0.033 0.000 0.871 164 E CB -0.775 29.010 29.700 0.141 0.000 0.991 164 E HN 0.319 nan 8.360 nan 0.000 0.481 165 D N 0.044 119.968 120.400 -0.792 0.000 2.304 165 D HA 0.102 4.732 4.640 -0.018 0.000 0.247 165 D C -0.599 175.462 176.300 -0.398 0.000 1.089 165 D CA -0.207 53.217 54.000 -0.960 0.000 0.910 165 D CB 0.969 40.941 40.800 -1.380 0.000 1.199 165 D HN -0.107 nan 8.370 nan 0.000 0.426 166 S N 2.070 117.619 115.700 -0.250 0.000 2.399 166 S HA 0.458 4.917 4.470 -0.018 0.000 0.301 166 S C 0.906 175.448 174.600 -0.095 0.000 1.093 166 S CA -0.293 57.844 58.200 -0.104 0.000 1.077 166 S CB 0.529 63.715 63.200 -0.024 0.000 0.980 166 S HN 0.505 nan 8.310 nan 0.000 0.494 167 A N 4.909 127.570 122.820 -0.266 0.000 2.067 167 A HA 0.028 4.338 4.320 -0.018 0.000 0.219 167 A C 1.394 178.880 177.584 -0.164 0.000 1.158 167 A CA 0.627 52.537 52.037 -0.211 0.000 0.661 167 A CB -0.691 18.107 19.000 -0.337 0.000 0.801 167 A HN 0.993 nan 8.150 nan 0.000 0.452 168 W N -0.026 121.265 121.300 -0.014 0.000 2.364 168 W HA -0.080 4.569 4.660 -0.018 0.000 0.281 168 W C 2.419 179.081 176.519 0.240 0.000 1.219 168 W CA 0.925 58.259 57.345 -0.019 0.000 1.220 168 W CB -0.183 29.256 29.460 -0.034 0.000 1.127 168 W HN 0.369 nan 8.180 nan 0.000 0.556 169 A N -0.741 122.292 122.820 0.355 0.000 2.119 169 A HA -0.069 4.240 4.320 -0.018 0.000 0.217 169 A C 0.590 178.059 177.584 -0.191 0.000 1.153 169 A CA 0.834 52.952 52.037 0.134 0.000 0.692 169 A CB -0.610 18.392 19.000 0.004 0.000 0.799 169 A HN 0.334 nan 8.150 nan 0.000 0.458 170 H N -0.057 119.137 119.070 0.205 0.000 2.340 170 H HA 0.266 4.811 4.556 -0.018 0.000 0.233 170 H C -2.934 172.427 175.328 0.056 0.000 1.435 170 H CA -2.183 53.927 56.048 0.104 0.000 1.389 170 H CB -0.043 29.763 29.762 0.074 0.000 1.491 170 H HN 0.354 nan 8.280 nan 0.000 0.518 171 P HA 0.055 nan 4.420 nan 0.000 0.279 171 P C 0.245 177.380 177.300 -0.276 0.000 1.239 171 P CA -0.453 62.461 63.100 -0.310 0.000 0.789 171 P CB 2.176 33.735 31.700 -0.234 0.000 0.933 172 V N 3.251 122.925 119.914 -0.401 0.000 2.240 172 V HA 0.143 4.252 4.120 -0.018 0.000 0.265 172 V C 0.646 176.588 176.094 -0.253 0.000 1.073 172 V CA -0.378 61.774 62.300 -0.246 0.000 0.857 172 V CB 0.144 31.829 31.823 -0.229 0.000 1.114 172 V HN 0.530 nan 8.190 nan 0.000 0.469 173 D N 2.881 123.118 120.400 -0.272 0.000 2.357 173 D HA 0.391 5.021 4.640 -0.018 0.000 0.242 173 D C 1.304 177.482 176.300 -0.203 0.000 1.153 173 D CA 1.593 55.350 54.000 -0.404 0.000 0.918 173 D CB 1.698 41.957 40.800 -0.902 0.000 1.181 173 D HN 0.729 nan 8.370 nan 0.000 0.435 174 G N 0.571 109.282 108.800 -0.149 0.000 2.176 174 G HA2 -0.210 3.740 3.960 -0.018 0.000 0.253 174 G HA3 -0.210 3.740 3.960 -0.018 0.000 0.253 174 G C -0.141 174.795 174.900 0.059 0.000 0.979 174 G CA 0.476 45.648 45.100 0.121 0.000 0.641 174 G HN 0.518 nan 8.290 nan 0.000 0.530 175 L N 0.171 121.400 121.223 0.011 0.000 2.431 175 L HA 0.930 5.259 4.340 -0.018 0.000 0.266 175 L C -0.744 176.208 176.870 0.137 0.000 0.978 175 L CA -1.120 53.733 54.840 0.022 0.000 0.822 175 L CB 2.375 44.362 42.059 -0.119 0.000 1.310 175 L HN 0.636 nan 8.230 nan 0.000 0.409 176 V N 3.947 123.970 119.914 0.182 0.000 2.969 176 V HA 0.953 5.062 4.120 -0.018 0.000 0.304 176 V C -1.337 174.798 176.094 0.069 0.000 1.192 176 V CA 0.252 62.683 62.300 0.219 0.000 0.962 176 V CB 2.061 34.035 31.823 0.253 0.000 1.045 176 V HN 1.178 nan 8.190 nan 0.000 0.428 177 A N 5.338 128.175 122.820 0.029 0.000 2.386 177 A HA 0.931 5.240 4.320 -0.018 0.000 0.311 177 A C -1.884 175.622 177.584 -0.130 0.000 1.068 177 A CA -0.445 51.481 52.037 -0.185 0.000 0.743 177 A CB 1.458 20.254 19.000 -0.340 0.000 1.258 177 A HN 0.812 nan 8.150 nan 0.000 0.429 178 Y N 0.803 120.943 120.300 -0.266 0.000 2.341 178 Y HA 0.598 5.138 4.550 -0.018 0.000 0.337 178 Y C -0.022 175.734 175.900 -0.241 0.000 1.014 178 Y CA -1.592 56.325 58.100 -0.304 0.000 1.111 178 Y CB 1.638 39.879 38.460 -0.366 0.000 1.194 178 Y HN 0.357 nan 8.280 nan 0.000 0.462 179 V N 3.170 123.047 119.914 -0.061 0.000 2.709 179 V HA 0.240 4.350 4.120 -0.018 0.000 0.308 179 V C -0.672 175.368 176.094 -0.091 0.000 1.062 179 V CA -1.106 61.137 62.300 -0.095 0.000 0.901 179 V CB 2.295 34.042 31.823 -0.126 0.000 1.003 179 V HN 0.662 nan 8.190 nan 0.000 0.425 180 D N 3.068 123.422 120.400 -0.077 0.000 2.347 180 D HA 0.168 4.797 4.640 -0.018 0.000 0.235 180 D C 0.943 177.202 176.300 -0.068 0.000 1.149 180 D CA -0.210 53.748 54.000 -0.070 0.000 0.850 180 D CB 2.033 42.803 40.800 -0.051 0.000 1.061 180 D HN 0.458 nan 8.370 nan 0.000 0.487 181 V N 2.299 122.163 119.914 -0.082 0.000 3.380 181 V HA -0.035 4.074 4.120 -0.018 0.000 0.268 181 V C 1.406 177.479 176.094 -0.035 0.000 1.168 181 V CA 0.457 62.711 62.300 -0.076 0.000 1.156 181 V CB -0.168 31.578 31.823 -0.128 0.000 0.785 181 V HN 0.386 nan 8.190 nan 0.000 0.487 182 V N 1.271 121.175 119.914 -0.016 0.000 2.490 182 V HA -0.019 4.090 4.120 -0.018 0.000 0.238 182 V C 2.728 178.822 176.094 0.000 0.000 1.056 182 V CA 1.694 64.006 62.300 0.021 0.000 1.075 182 V CB 0.042 31.893 31.823 0.047 0.000 0.746 182 V HN 0.690 nan 8.190 nan 0.000 0.479 183 S N -0.602 115.091 115.700 -0.013 0.000 2.561 183 S HA -0.034 4.425 4.470 -0.018 0.000 0.225 183 S C 0.863 175.451 174.600 -0.020 0.000 0.977 183 S CA 0.272 58.463 58.200 -0.016 0.000 0.926 183 S CB -0.498 62.690 63.200 -0.020 0.000 0.769 183 S HN 0.575 nan 8.310 nan 0.000 0.533 184 K N 1.152 121.537 120.400 -0.025 0.000 3.257 184 K HA -0.158 4.151 4.320 -0.018 0.000 0.270 184 K C -0.960 175.617 176.600 -0.038 0.000 0.984 184 K CA 0.917 57.185 56.287 -0.031 0.000 0.739 184 K CB -1.687 30.801 32.500 -0.021 0.000 1.351 184 K HN 0.715 nan 8.250 nan 0.000 0.463 185 E N -0.160 120.014 120.200 -0.044 0.000 2.256 185 E HA 0.350 4.690 4.350 -0.018 0.000 0.267 185 E C -0.455 176.106 176.600 -0.064 0.000 0.892 185 E CA -1.087 55.285 56.400 -0.047 0.000 0.775 185 E CB 2.250 31.928 29.700 -0.037 0.000 1.207 185 E HN -0.061 nan 8.360 nan 0.000 0.420 186 V N 3.087 122.958 119.914 -0.072 0.000 2.299 186 V HA -0.019 4.090 4.120 -0.018 0.000 0.255 186 V C 1.480 177.528 176.094 -0.077 0.000 1.100 186 V CA 0.287 62.529 62.300 -0.096 0.000 0.938 186 V CB -0.015 31.741 31.823 -0.112 0.000 1.139 186 V HN 0.937 nan 8.190 nan 0.000 0.490 187 T N 2.293 116.807 114.554 -0.067 0.000 2.915 187 T HA 0.009 4.349 4.350 -0.018 0.000 0.269 187 T C 0.847 175.498 174.700 -0.082 0.000 1.071 187 T CA 0.841 62.909 62.100 -0.053 0.000 1.132 187 T CB 0.261 69.110 68.868 -0.031 0.000 0.878 187 T HN 0.509 nan 8.240 nan 0.000 0.479 188 R N -0.933 119.482 120.500 -0.142 0.000 2.629 188 R HA 0.614 4.943 4.340 -0.018 0.000 0.266 188 R C -2.273 173.840 176.300 -0.311 0.000 1.051 188 R CA -0.665 55.278 56.100 -0.261 0.000 0.895 188 R CB 2.754 32.777 30.300 -0.462 0.000 1.246 188 R HN 0.073 nan 8.270 nan 0.000 0.459 189 V N 4.629 124.409 119.914 -0.224 0.000 2.488 189 V HA 0.471 4.580 4.120 -0.018 0.000 0.293 189 V C -0.600 175.421 176.094 -0.120 0.000 1.027 189 V CA -0.530 61.707 62.300 -0.105 0.000 0.862 189 V CB 1.816 33.675 31.823 0.060 0.000 1.008 189 V HN 0.562 nan 8.190 nan 0.000 0.428 190 I N 4.192 124.675 120.570 -0.146 0.000 2.378 190 I HA 0.518 4.677 4.170 -0.018 0.000 0.291 190 I C -0.851 175.255 176.117 -0.017 0.000 0.992 190 I CA -0.241 61.000 61.300 -0.099 0.000 1.154 190 I CB 1.862 39.775 38.000 -0.146 0.000 1.315 190 I HN 0.491 nan 8.210 nan 0.000 0.448 191 D N 4.227 124.623 120.400 -0.007 0.000 2.549 191 D HA 0.223 4.852 4.640 -0.018 0.000 0.251 191 D C 0.581 176.895 176.300 0.023 0.000 1.153 191 D CA -0.317 53.685 54.000 0.004 0.000 0.861 191 D CB 1.885 42.673 40.800 -0.020 0.000 1.207 191 D HN 0.642 nan 8.370 nan 0.000 0.543 192 T N 0.271 114.860 114.554 0.059 0.000 3.022 192 T HA 0.502 4.841 4.350 -0.018 0.000 0.250 192 T C 0.914 175.652 174.700 0.064 0.000 1.060 192 T CA 0.249 62.393 62.100 0.074 0.000 1.013 192 T CB 0.540 69.479 68.868 0.118 0.000 0.982 192 T HN 0.593 nan 8.240 nan 0.000 0.508 193 G N 0.361 109.199 108.800 0.064 0.000 2.329 193 G HA2 0.347 4.296 3.960 -0.018 0.000 0.308 193 G HA3 0.347 4.296 3.960 -0.018 0.000 0.308 193 G C -1.284 173.638 174.900 0.037 0.000 1.587 193 G CA -0.789 44.310 45.100 -0.002 0.000 0.978 193 G HN 0.254 nan 8.290 nan 0.000 0.685 194 V N 0.752 120.640 119.914 -0.043 0.000 2.686 194 V HA 0.649 4.758 4.120 -0.018 0.000 0.295 194 V C -0.038 176.024 176.094 -0.054 0.000 1.055 194 V CA 0.214 62.511 62.300 -0.005 0.000 1.050 194 V CB 0.926 32.722 31.823 -0.046 0.000 0.984 194 V HN 0.559 nan 8.190 nan 0.000 0.482 195 F N 3.113 123.029 119.950 -0.058 0.000 2.563 195 F HA 0.585 5.101 4.527 -0.018 0.000 0.316 195 F C -2.120 173.655 175.800 -0.042 0.000 1.076 195 F CA -2.206 55.765 58.000 -0.047 0.000 0.921 195 F CB 1.948 40.918 39.000 -0.050 0.000 1.209 195 F HN 0.327 nan 8.300 nan 0.000 0.462 196 P HA 0.212 nan 4.420 nan 0.000 0.271 196 P C -1.093 176.270 177.300 0.105 0.000 1.216 196 P CA -0.263 62.893 63.100 0.093 0.000 0.776 196 P CB 0.741 32.486 31.700 0.074 0.000 0.881 197 V N 5.946 125.899 119.914 0.065 0.000 2.385 197 V HA 0.191 4.300 4.120 -0.018 0.000 0.269 197 V C -1.929 174.224 176.094 0.099 0.000 1.043 197 V CA -1.645 60.691 62.300 0.059 0.000 0.906 197 V CB 0.626 32.464 31.823 0.025 0.000 0.995 197 V HN 0.583 nan 8.190 nan 0.000 0.467 198 P HA -0.041 nan 4.420 nan 0.000 0.259 198 P C 0.495 177.955 177.300 0.267 0.000 1.163 198 P CA 0.537 63.711 63.100 0.123 0.000 0.760 198 P CB 0.717 32.442 31.700 0.042 0.000 0.762 199 A N 3.816 126.763 122.820 0.211 0.000 1.943 199 A HA -0.021 4.288 4.320 -0.018 0.000 0.213 199 A C 0.817 178.613 177.584 0.353 0.000 1.181 199 A CA 0.554 52.745 52.037 0.258 0.000 0.653 199 A CB -0.465 18.621 19.000 0.143 0.000 0.833 199 A HN 0.550 nan 8.150 nan 0.000 0.451 200 E N 0.605 120.939 120.200 0.224 0.000 2.413 200 E HA 0.216 4.555 4.350 -0.018 0.000 0.263 200 E C -0.118 176.622 176.600 0.234 0.000 1.015 200 E CA 0.082 56.597 56.400 0.191 0.000 0.916 200 E CB 0.290 30.046 29.700 0.094 0.000 0.947 200 E HN 0.780 nan 8.360 nan 0.000 0.440 201 H N -0.235 118.982 119.070 0.246 0.000 2.544 201 H HA 0.463 5.008 4.556 -0.018 0.000 0.365 201 H C 0.597 176.026 175.328 0.167 0.000 1.268 201 H CA -0.669 55.492 56.048 0.189 0.000 1.400 201 H CB 0.912 30.822 29.762 0.247 0.000 1.538 201 H HN 0.484 nan 8.280 nan 0.000 0.597 202 G N 0.577 109.509 108.800 0.221 0.000 4.637 202 G HA2 0.082 4.031 3.960 -0.018 0.000 0.294 202 G HA3 0.082 4.031 3.960 -0.018 0.000 0.294 202 G C -0.818 174.059 174.900 -0.038 0.000 1.215 202 G CA -0.694 44.424 45.100 0.030 0.000 0.943 202 G HN 0.740 nan 8.290 nan 0.000 0.572 203 N N 1.363 120.201 118.700 0.230 0.000 2.663 203 N HA 0.190 4.920 4.740 -0.018 0.000 0.250 203 N C 0.774 176.236 175.510 -0.079 0.000 1.129 203 N CA -0.694 52.312 53.050 -0.075 0.000 0.995 203 N CB 0.266 38.754 38.487 0.001 0.000 1.324 203 N HN 0.530 nan 8.380 nan 0.000 0.512 204 Y N -0.675 119.620 120.300 -0.009 0.000 2.716 204 Y HA -0.022 4.517 4.550 -0.018 0.000 0.302 204 Y C 1.183 177.079 175.900 -0.007 0.000 1.160 204 Y CA 0.117 58.190 58.100 -0.045 0.000 1.362 204 Y CB -0.394 37.993 38.460 -0.122 0.000 0.988 204 Y HN 0.208 nan 8.280 nan 0.000 0.546 205 T N -0.935 113.610 114.554 -0.015 0.000 3.044 205 T HA 0.010 4.349 4.350 -0.018 0.000 0.260 205 T C -0.149 174.566 174.700 0.026 0.000 1.019 205 T CA -0.125 61.994 62.100 0.031 0.000 0.921 205 T CB -0.171 68.694 68.868 -0.006 0.000 1.053 205 T HN 0.241 nan 8.240 nan 0.000 0.533 206 D N 2.275 122.699 120.400 0.040 0.000 2.338 206 D HA 0.169 4.798 4.640 -0.018 0.000 0.255 206 D C -1.732 174.613 176.300 0.073 0.000 1.237 206 D CA -2.338 51.695 54.000 0.054 0.000 0.883 206 D CB 1.721 42.576 40.800 0.092 0.000 1.087 206 D HN 0.001 nan 8.370 nan 0.000 0.485 207 P HA -0.186 nan 4.420 nan 0.000 0.217 207 P C 1.050 178.382 177.300 0.053 0.000 1.148 207 P CA 0.939 64.064 63.100 0.042 0.000 0.834 207 P CB 0.204 31.919 31.700 0.025 0.000 0.783 208 E N -0.615 119.625 120.200 0.067 0.000 2.204 208 E HA -0.174 4.165 4.350 -0.018 0.000 0.194 208 E C 1.642 178.304 176.600 0.103 0.000 0.989 208 E CA 0.905 57.354 56.400 0.082 0.000 0.824 208 E CB -0.364 29.394 29.700 0.096 0.000 0.756 208 E HN 0.151 nan 8.360 nan 0.000 0.477 209 L N 0.722 122.025 121.223 0.134 0.000 2.253 209 L HA 0.007 4.336 4.340 -0.018 0.000 0.205 209 L C 2.464 179.376 176.870 0.070 0.000 1.078 209 L CA 1.951 56.857 54.840 0.111 0.000 0.805 209 L CB -0.373 41.783 42.059 0.162 0.000 0.963 209 L HN 0.197 nan 8.230 nan 0.000 0.459 210 T N -2.696 111.900 114.554 0.070 0.000 2.985 210 T HA 0.389 4.728 4.350 -0.018 0.000 0.266 210 T C 1.161 175.883 174.700 0.037 0.000 1.076 210 T CA 0.454 62.584 62.100 0.050 0.000 1.135 210 T CB -0.772 68.127 68.868 0.051 0.000 0.890 210 T HN 0.740 nan 8.240 nan 0.000 0.480 211 G N 2.332 111.155 108.800 0.039 0.000 2.796 211 G HA2 -0.029 3.921 3.960 -0.018 0.000 0.571 211 G HA3 -0.029 3.921 3.960 -0.018 0.000 0.571 211 G C -2.819 172.096 174.900 0.025 0.000 1.370 211 G CA -0.604 44.514 45.100 0.030 0.000 0.856 211 G HN 0.542 nan 8.290 nan 0.000 0.538 212 P HA 0.330 nan 4.420 nan 0.000 0.269 212 P C 0.467 177.775 177.300 0.015 0.000 1.209 212 P CA -0.100 63.010 63.100 0.016 0.000 0.776 212 P CB 0.491 32.199 31.700 0.013 0.000 0.876 213 L N 2.961 124.192 121.223 0.014 0.000 2.397 213 L HA 0.229 4.558 4.340 -0.018 0.000 0.271 213 L C 1.431 178.305 176.870 0.008 0.000 1.148 213 L CA -0.478 54.369 54.840 0.012 0.000 0.825 213 L CB -0.023 42.043 42.059 0.012 0.000 1.117 213 L HN 0.366 nan 8.230 nan 0.000 0.456 214 R N 0.695 121.198 120.500 0.005 0.000 2.638 214 R HA 0.001 4.330 4.340 -0.018 0.000 0.268 214 R C 0.795 177.097 176.300 0.003 0.000 1.006 214 R CA 0.623 56.725 56.100 0.003 0.000 1.088 214 R CB 0.192 30.492 30.300 -0.000 0.000 0.950 214 R HN 0.738 nan 8.270 nan 0.000 0.419 215 T N -3.442 111.114 114.554 0.002 0.000 3.200 215 T HA 0.019 4.359 4.350 -0.018 0.000 0.284 215 T C 1.080 175.780 174.700 0.001 0.000 1.009 215 T CA 0.024 62.125 62.100 0.002 0.000 0.907 215 T CB 0.390 69.259 68.868 0.003 0.000 1.120 215 T HN 0.672 nan 8.240 nan 0.000 0.534 216 T N -0.920 113.634 114.554 -0.001 0.000 3.060 216 T HA 0.187 4.526 4.350 -0.018 0.000 0.249 216 T C 0.628 175.327 174.700 -0.003 0.000 1.079 216 T CA -0.228 61.871 62.100 -0.002 0.000 1.013 216 T CB -0.246 68.620 68.868 -0.003 0.000 0.975 216 T HN 0.392 nan 8.240 nan 0.000 0.518 217 Q N 2.307 122.106 119.800 -0.003 0.000 2.361 217 Q HA 0.293 4.622 4.340 -0.018 0.000 0.250 217 Q C -0.330 175.669 176.000 -0.002 0.000 1.023 217 Q CA -0.442 55.359 55.803 -0.003 0.000 0.915 217 Q CB 0.871 29.607 28.738 -0.004 0.000 1.238 217 Q HN 0.247 nan 8.270 nan 0.000 0.451 218 K N 2.995 123.394 120.400 -0.002 0.000 2.126 218 K HA 0.376 4.685 4.320 -0.018 0.000 0.257 218 K C -1.907 174.693 176.600 0.001 0.000 1.007 218 K CA -1.632 54.655 56.287 -0.000 0.000 0.928 218 K CB 0.003 32.502 32.500 -0.001 0.000 1.013 218 K HN 0.464 nan 8.250 nan 0.000 0.473 219 P HA 0.253 nan 4.420 nan 0.000 0.271 219 P C -0.477 176.826 177.300 0.005 0.000 1.218 219 P CA -0.053 63.050 63.100 0.004 0.000 0.780 219 P CB 0.550 32.254 31.700 0.006 0.000 0.901 220 I N 1.234 121.809 120.570 0.007 0.000 2.464 220 I HA 0.091 4.250 4.170 -0.018 0.000 0.277 220 I C 0.424 176.550 176.117 0.014 0.000 1.040 220 I CA -0.501 60.805 61.300 0.010 0.000 1.153 220 I CB 1.419 39.425 38.000 0.009 0.000 1.274 220 I HN 0.280 nan 8.210 nan 0.000 0.469 221 S N 7.645 123.355 115.700 0.015 0.000 2.416 221 S HA 0.522 4.981 4.470 -0.018 0.000 0.287 221 S C -0.324 174.291 174.600 0.025 0.000 1.139 221 S CA -0.366 57.845 58.200 0.019 0.000 1.058 221 S CB 0.054 63.264 63.200 0.017 0.000 0.967 221 S HN 0.436 nan 8.310 nan 0.000 0.495 222 I N 5.776 126.365 120.570 0.031 0.000 2.328 222 I HA 0.338 4.497 4.170 -0.018 0.000 0.287 222 I C 0.349 176.492 176.117 0.043 0.000 1.012 222 I CA -0.396 60.930 61.300 0.043 0.000 1.195 222 I CB 1.487 39.520 38.000 0.055 0.000 1.350 222 I HN 0.660 nan 8.210 nan 0.000 0.464 223 T N 1.970 116.551 114.554 0.045 0.000 2.901 223 T HA 0.498 4.837 4.350 -0.018 0.000 0.293 223 T C -0.703 174.026 174.700 0.049 0.000 1.084 223 T CA -0.920 61.206 62.100 0.042 0.000 1.008 223 T CB 2.279 71.165 68.868 0.031 0.000 1.170 223 T HN 0.482 nan 8.240 nan 0.000 0.509 224 Q N 1.175 121.002 119.800 0.044 0.000 2.558 224 Q HA 0.270 4.599 4.340 -0.018 0.000 0.252 224 Q C -2.122 173.894 176.000 0.026 0.000 1.015 224 Q CA -1.953 53.877 55.803 0.044 0.000 0.720 224 Q CB 1.869 30.639 28.738 0.053 0.000 1.215 224 Q HN 0.510 nan 8.270 nan 0.000 0.500 225 P HA -0.224 nan 4.420 nan 0.000 0.216 225 P C 0.111 177.417 177.300 0.010 0.000 1.154 225 P CA 1.509 64.619 63.100 0.016 0.000 0.865 225 P CB 0.355 32.066 31.700 0.017 0.000 0.789 226 E N -1.131 119.075 120.200 0.009 0.000 2.499 226 E HA 0.375 4.714 4.350 -0.018 0.000 0.199 226 E C 0.755 177.348 176.600 -0.012 0.000 1.016 226 E CA -0.025 56.375 56.400 0.001 0.000 0.933 226 E CB 0.100 29.802 29.700 0.003 0.000 1.050 226 E HN 0.157 nan 8.360 nan 0.000 0.462 227 G N 2.750 111.542 108.800 -0.014 0.000 2.757 227 G HA2 -0.191 3.758 3.960 -0.018 0.000 0.638 227 G HA3 -0.191 3.758 3.960 -0.018 0.000 0.638 227 G C -2.712 172.151 174.900 -0.062 0.000 1.344 227 G CA -0.909 44.164 45.100 -0.045 0.000 0.855 227 G HN 0.022 nan 8.290 nan 0.000 0.537 228 P HA 0.380 nan 4.420 nan 0.000 0.274 228 P C 0.566 177.762 177.300 -0.173 0.000 1.246 228 P CA 0.104 63.066 63.100 -0.231 0.000 0.795 228 P CB 1.306 32.536 31.700 -0.782 0.000 1.006 229 S N -0.363 115.370 115.700 0.055 0.000 2.524 229 S HA 0.121 4.580 4.470 -0.018 0.000 0.216 229 S C 0.737 175.503 174.600 0.277 0.000 0.987 229 S CA 0.109 58.413 58.200 0.174 0.000 0.909 229 S CB -0.667 62.699 63.200 0.277 0.000 0.781 229 S HN 0.563 nan 8.310 nan 0.000 0.521 230 F N 2.286 122.436 119.950 0.333 0.000 2.378 230 F HA 0.723 5.239 4.527 -0.018 0.000 0.325 230 F C 0.227 176.114 175.800 0.145 0.000 1.097 230 F CA -1.060 57.110 58.000 0.284 0.000 1.079 230 F CB 0.287 39.412 39.000 0.210 0.000 1.240 230 F HN -0.147 nan 8.300 nan 0.000 0.519 231 T N -0.304 114.426 114.554 0.293 0.000 2.885 231 T HA 0.726 5.066 4.350 -0.018 0.000 0.285 231 T C -1.107 173.742 174.700 0.248 0.000 1.019 231 T CA -0.824 61.379 62.100 0.171 0.000 1.010 231 T CB 1.512 70.458 68.868 0.130 0.000 1.022 231 T HN 0.667 nan 8.240 nan 0.000 0.466 232 V N 2.446 122.478 119.914 0.196 0.000 2.378 232 V HA 0.632 4.741 4.120 -0.018 0.000 0.288 232 V C 0.183 176.369 176.094 0.153 0.000 1.016 232 V CA -0.531 61.883 62.300 0.189 0.000 0.840 232 V CB 1.362 33.300 31.823 0.193 0.000 0.994 232 V HN 1.149 nan 8.190 nan 0.000 0.431 233 T N 2.952 117.615 114.554 0.181 0.000 2.876 233 T HA 0.622 4.961 4.350 -0.018 0.000 0.289 233 T C 0.675 175.463 174.700 0.147 0.000 1.014 233 T CA 0.591 62.782 62.100 0.152 0.000 0.986 233 T CB 1.396 70.360 68.868 0.160 0.000 1.021 233 T HN 1.463 nan 8.240 nan 0.000 0.458 234 G N 1.823 110.681 108.800 0.096 0.000 2.273 234 G HA2 -0.027 3.922 3.960 -0.018 0.000 0.280 234 G HA3 -0.027 3.922 3.960 -0.018 0.000 0.280 234 G C 1.250 176.206 174.900 0.093 0.000 1.047 234 G CA 0.926 46.075 45.100 0.081 0.000 0.869 234 G HN 1.893 nan 8.290 nan 0.000 0.502 235 G N -0.039 108.815 108.800 0.091 0.000 2.609 235 G HA2 -0.321 3.629 3.960 -0.018 0.000 0.235 235 G HA3 -0.321 3.629 3.960 -0.018 0.000 0.235 235 G C 1.005 175.963 174.900 0.096 0.000 1.177 235 G CA 1.396 46.547 45.100 0.085 0.000 0.707 235 G HN 2.234 nan 8.290 nan 0.000 0.513 236 N N -0.471 118.298 118.700 0.115 0.000 2.142 236 N HA 0.097 4.826 4.740 -0.018 0.000 0.233 236 N C -0.218 175.363 175.510 0.120 0.000 1.335 236 N CA 0.154 53.266 53.050 0.104 0.000 0.837 236 N CB -0.319 38.225 38.487 0.096 0.000 1.238 236 N HN 0.596 nan 8.380 nan 0.000 0.501 237 H N 1.612 120.721 119.070 0.065 0.000 2.604 237 H HA 0.305 4.850 4.556 -0.018 0.000 0.306 237 H C -0.721 174.654 175.328 0.078 0.000 1.075 237 H CA -0.250 55.834 56.048 0.060 0.000 1.357 237 H CB 0.955 30.752 29.762 0.059 0.000 1.426 237 H HN -0.024 nan 8.280 nan 0.000 0.470 238 I N 4.609 124.975 120.570 -0.339 0.000 2.412 238 I HA 0.237 4.396 4.170 -0.018 0.000 0.296 238 I C 0.150 176.159 176.117 -0.180 0.000 0.987 238 I CA -0.542 60.670 61.300 -0.147 0.000 1.180 238 I CB 1.655 39.568 38.000 -0.146 0.000 1.340 238 I HN 0.586 nan 8.210 nan 0.000 0.455 239 E N 5.204 125.455 120.200 0.084 0.000 2.241 239 E HA 0.322 4.661 4.350 -0.018 0.000 0.263 239 E C -1.805 174.997 176.600 0.336 0.000 0.882 239 E CA -0.516 55.980 56.400 0.161 0.000 0.769 239 E CB 2.846 32.646 29.700 0.167 0.000 1.185 239 E HN 0.612 nan 8.360 nan 0.000 0.415 240 W N 3.744 125.114 121.300 0.115 0.000 3.326 240 W HA 0.140 4.789 4.660 -0.017 0.000 0.333 240 W C -0.547 176.072 176.519 0.167 0.000 1.108 240 W CA -0.393 57.047 57.345 0.157 0.000 1.245 240 W CB 0.976 30.531 29.460 0.158 0.000 1.331 240 W HN 0.330 nan 8.180 nan 0.000 0.464 241 E N 5.020 124.948 120.200 -0.453 0.000 2.149 241 E HA -0.316 4.023 4.350 -0.018 0.000 0.191 241 E C 0.580 176.897 176.600 -0.471 0.000 1.384 241 E CA 1.887 57.916 56.400 -0.619 0.000 0.698 241 E CB -0.945 27.991 29.700 -1.274 0.000 1.086 241 E HN 0.772 nan 8.360 nan 0.000 0.338 242 K N -3.450 116.694 120.400 -0.428 0.000 3.578 242 K HA -0.229 4.080 4.320 -0.018 0.000 0.270 242 K C -0.038 176.155 176.600 -0.678 0.000 1.003 242 K CA 1.820 57.670 56.287 -0.728 0.000 1.128 242 K CB -1.493 30.124 32.500 -1.472 0.000 1.341 242 K HN 0.384 nan 8.250 nan 0.000 0.499 243 W N 0.943 122.052 121.300 -0.319 0.000 2.184 243 W HA 0.484 5.134 4.660 -0.017 0.000 0.338 243 W C 0.666 177.170 176.519 -0.026 0.000 1.257 243 W CA 0.059 57.362 57.345 -0.070 0.000 1.243 243 W CB 1.283 30.843 29.460 0.167 0.000 1.122 243 W HN -0.002 nan 8.180 nan 0.000 0.585 244 S N 3.842 119.712 115.700 0.284 0.000 2.575 244 S HA 0.803 5.262 4.470 -0.018 0.000 0.278 244 S C -1.118 173.499 174.600 0.029 0.000 1.139 244 S CA -0.759 57.498 58.200 0.094 0.000 0.954 244 S CB 0.148 63.429 63.200 0.135 0.000 1.054 244 S HN 0.562 nan 8.310 nan 0.000 0.483 245 L N 1.240 122.349 121.223 -0.190 0.000 2.940 245 L HA 0.752 5.081 4.340 -0.018 0.000 0.270 245 L C -2.162 174.570 176.870 -0.230 0.000 1.030 245 L CA -1.025 53.716 54.840 -0.165 0.000 0.928 245 L CB 1.683 43.652 42.059 -0.150 0.000 1.506 245 L HN 0.408 nan 8.230 nan 0.000 0.405 246 D N 1.453 121.798 120.400 -0.091 0.000 2.502 246 D HA 0.475 5.104 4.640 -0.018 0.000 0.249 246 D C -0.824 175.495 176.300 0.032 0.000 1.092 246 D CA -0.258 53.755 54.000 0.023 0.000 0.839 246 D CB 3.192 44.057 40.800 0.108 0.000 1.264 246 D HN 0.375 nan 8.370 nan 0.000 0.511 247 V N 2.134 122.060 119.914 0.020 0.000 2.353 247 V HA 0.483 4.592 4.120 -0.018 0.000 0.264 247 V C 0.949 177.104 176.094 0.102 0.000 1.049 247 V CA -0.399 61.901 62.300 -0.001 0.000 0.896 247 V CB 1.061 32.863 31.823 -0.036 0.000 1.025 247 V HN 0.595 nan 8.190 nan 0.000 0.475 248 G N 3.163 112.055 108.800 0.153 0.000 2.491 248 G HA2 0.712 4.661 3.960 -0.018 0.000 0.327 248 G HA3 0.712 4.661 3.960 -0.018 0.000 0.327 248 G C -1.544 173.453 174.900 0.162 0.000 1.189 248 G CA -0.494 44.737 45.100 0.218 0.000 0.956 248 G HN 0.490 nan 8.290 nan 0.000 0.491 249 F N 0.139 120.074 119.950 -0.025 0.000 2.588 249 F HA 0.501 5.017 4.527 -0.018 0.000 0.318 249 F C -1.358 174.394 175.800 -0.080 0.000 1.155 249 F CA -0.909 57.027 58.000 -0.106 0.000 0.967 249 F CB 2.506 41.429 39.000 -0.128 0.000 1.236 249 F HN 0.523 nan 8.300 nan 0.000 0.455 250 D N 3.775 123.813 120.400 -0.603 0.000 2.481 250 D HA 0.313 4.942 4.640 -0.018 0.000 0.244 250 D C 0.196 176.151 176.300 -0.574 0.000 1.057 250 D CA -0.561 53.225 54.000 -0.356 0.000 0.848 250 D CB 2.446 43.147 40.800 -0.165 0.000 1.388 250 D HN 0.369 nan 8.370 nan 0.000 0.475 251 V N 4.097 123.871 119.914 -0.234 0.000 2.594 251 V HA -0.111 3.998 4.120 -0.018 0.000 0.253 251 V C 2.083 178.111 176.094 -0.109 0.000 1.069 251 V CA 2.022 64.230 62.300 -0.154 0.000 1.082 251 V CB -0.387 31.395 31.823 -0.068 0.000 0.680 251 V HN 0.623 nan 8.190 nan 0.000 0.469 252 R N -0.583 119.906 120.500 -0.018 0.000 2.057 252 R HA -0.040 4.289 4.340 -0.018 0.000 0.224 252 R C 2.205 178.432 176.300 -0.122 0.000 1.136 252 R CA 1.618 57.691 56.100 -0.044 0.000 0.968 252 R CB -0.145 30.076 30.300 -0.131 0.000 0.863 252 R HN 0.571 nan 8.270 nan 0.000 0.433 253 E N -0.676 119.422 120.200 -0.169 0.000 2.250 253 E HA 0.127 4.467 4.350 -0.018 0.000 0.192 253 E C 0.682 177.065 176.600 -0.361 0.000 0.986 253 E CA 0.392 56.688 56.400 -0.174 0.000 0.849 253 E CB 0.573 30.224 29.700 -0.081 0.000 0.797 253 E HN 0.552 nan 8.360 nan 0.000 0.482 254 G N 0.747 109.109 108.800 -0.731 0.000 2.488 254 G HA2 -0.290 3.659 3.960 -0.018 0.000 0.237 254 G HA3 -0.290 3.659 3.960 -0.018 0.000 0.237 254 G C -0.123 174.131 174.900 -1.078 0.000 1.209 254 G CA -0.360 43.943 45.100 -1.327 0.000 0.929 254 G HN 0.102 nan 8.290 nan 0.000 0.578 255 V N 0.621 120.091 119.914 -0.740 0.000 2.599 255 V HA 0.407 4.517 4.120 -0.018 0.000 0.300 255 V C 0.826 176.838 176.094 -0.138 0.000 1.034 255 V CA 0.348 62.551 62.300 -0.162 0.000 1.115 255 V CB 0.908 32.823 31.823 0.153 0.000 0.934 255 V HN 0.952 nan 8.190 nan 0.000 0.485 256 V N 6.369 126.155 119.914 -0.212 0.000 2.709 256 V HA 0.502 4.611 4.120 -0.018 0.000 0.308 256 V C -0.317 175.456 176.094 -0.535 0.000 1.062 256 V CA -0.663 61.415 62.300 -0.369 0.000 0.901 256 V CB 2.033 33.669 31.823 -0.311 0.000 1.003 256 V HN 0.614 nan 8.190 nan 0.000 0.425 257 L N 4.555 125.332 121.223 -0.743 0.000 2.307 257 L HA 0.667 4.996 4.340 -0.018 0.000 0.284 257 L C -0.617 175.846 176.870 -0.679 0.000 1.023 257 L CA -0.608 53.835 54.840 -0.662 0.000 0.810 257 L CB 1.401 43.004 42.059 -0.760 0.000 1.231 257 L HN 0.627 nan 8.230 nan 0.000 0.423 258 H N 3.468 122.391 119.070 -0.245 0.000 2.622 258 H HA 0.289 4.834 4.556 -0.018 0.000 0.363 258 H C -0.267 174.878 175.328 -0.305 0.000 1.151 258 H CA -0.737 55.160 56.048 -0.251 0.000 1.184 258 H CB 1.964 31.579 29.762 -0.246 0.000 1.643 258 H HN 0.581 nan 8.280 nan 0.000 0.531 259 N N 1.229 119.816 118.700 -0.189 0.000 2.725 259 N HA -0.201 4.529 4.740 -0.018 0.000 0.251 259 N C -0.255 175.195 175.510 -0.100 0.000 1.031 259 N CA 0.457 53.389 53.050 -0.196 0.000 0.720 259 N CB -1.357 36.941 38.487 -0.316 0.000 0.930 259 N HN 0.567 nan 8.380 nan 0.000 0.543 260 I N 0.690 121.206 120.570 -0.090 0.000 2.581 260 I HA 0.160 4.319 4.170 -0.018 0.000 0.285 260 I C 0.993 177.171 176.117 0.102 0.000 1.129 260 I CA 0.391 61.697 61.300 0.011 0.000 1.397 260 I CB 0.342 38.323 38.000 -0.032 0.000 1.399 260 I HN 0.334 nan 8.210 nan 0.000 0.537 261 A N 7.086 130.032 122.820 0.210 0.000 2.539 261 A HA 0.733 5.043 4.320 -0.018 0.000 0.296 261 A C -1.487 176.253 177.584 0.260 0.000 1.073 261 A CA -0.448 51.705 52.037 0.194 0.000 0.700 261 A CB 1.383 20.446 19.000 0.105 0.000 1.296 261 A HN 0.505 nan 8.150 nan 0.000 0.405 262 F N 0.967 120.928 119.950 0.018 0.000 2.467 262 F HA 0.664 5.181 4.527 -0.018 0.000 0.336 262 F C 0.368 176.183 175.800 0.025 0.000 1.123 262 F CA -0.672 57.261 58.000 -0.111 0.000 0.964 262 F CB 1.664 40.526 39.000 -0.230 0.000 1.136 262 F HN 0.579 nan 8.300 nan 0.000 0.447 263 R N 4.111 124.543 120.500 -0.114 0.000 2.272 263 R HA 0.148 4.477 4.340 -0.018 0.000 0.334 263 R C -1.173 175.232 176.300 0.176 0.000 1.117 263 R CA 0.000 56.111 56.100 0.019 0.000 0.966 263 R CB -0.454 29.798 30.300 -0.081 0.000 1.049 263 R HN 0.486 nan 8.270 nan 0.000 0.477 264 D N 4.036 124.618 120.400 0.303 0.000 2.479 264 D HA 0.339 4.969 4.640 -0.018 0.000 0.218 264 D C 0.842 177.237 176.300 0.157 0.000 1.131 264 D CA 1.039 55.235 54.000 0.328 0.000 0.916 264 D CB 0.513 41.525 40.800 0.353 0.000 1.022 264 D HN 0.694 nan 8.370 nan 0.000 0.515 265 G N 4.545 113.412 108.800 0.112 0.000 2.557 265 G HA2 -0.331 3.618 3.960 -0.018 0.000 0.292 265 G HA3 -0.331 3.618 3.960 -0.018 0.000 0.292 265 G C 0.777 175.703 174.900 0.043 0.000 1.162 265 G CA 0.318 45.455 45.100 0.061 0.000 0.964 265 G HN 0.522 nan 8.290 nan 0.000 0.541 266 D N 1.983 122.404 120.400 0.035 0.000 2.350 266 D HA 0.077 4.707 4.640 -0.018 0.000 0.213 266 D C 1.396 177.714 176.300 0.028 0.000 1.031 266 D CA 0.714 54.729 54.000 0.025 0.000 0.861 266 D CB 0.161 40.971 40.800 0.017 0.000 0.926 266 D HN 0.664 nan 8.370 nan 0.000 0.520 267 R N 0.991 121.515 120.500 0.040 0.000 2.338 267 R HA 0.427 4.756 4.340 -0.018 0.000 0.317 267 R C -0.534 175.805 176.300 0.065 0.000 0.968 267 R CA -0.817 55.307 56.100 0.039 0.000 0.849 267 R CB 1.428 31.740 30.300 0.020 0.000 1.128 267 R HN -0.183 nan 8.270 nan 0.000 0.448 268 L N 4.032 125.287 121.223 0.053 0.000 2.325 268 L HA 0.281 4.610 4.340 -0.018 0.000 0.284 268 L C -0.516 176.399 176.870 0.075 0.000 1.089 268 L CA -0.110 54.772 54.840 0.070 0.000 0.836 268 L CB 0.377 42.467 42.059 0.052 0.000 1.184 268 L HN 0.630 nan 8.230 nan 0.000 0.444 269 R N 7.100 127.680 120.500 0.133 0.000 2.338 269 R HA 0.490 4.819 4.340 -0.018 0.000 0.317 269 R C -2.399 173.999 176.300 0.164 0.000 0.968 269 R CA -1.782 54.404 56.100 0.142 0.000 0.849 269 R CB 0.948 31.363 30.300 0.191 0.000 1.128 269 R HN 0.494 nan 8.270 nan 0.000 0.448 270 P HA 0.152 nan 4.420 nan 0.000 0.278 270 P C -0.171 177.131 177.300 0.004 0.000 1.238 270 P CA -0.107 62.992 63.100 -0.002 0.000 0.794 270 P CB 1.400 33.024 31.700 -0.127 0.000 0.955 271 I N 1.195 121.711 120.570 -0.090 0.000 3.650 271 I HA 0.247 4.406 4.170 -0.018 0.000 0.261 271 I C 0.782 176.765 176.117 -0.223 0.000 1.154 271 I CA 0.166 61.313 61.300 -0.255 0.000 1.418 271 I CB 0.327 38.060 38.000 -0.444 0.000 1.539 271 I HN 0.138 nan 8.210 nan 0.000 0.449 272 I N 1.471 121.939 120.570 -0.170 0.000 2.466 272 I HA 0.167 4.327 4.170 -0.018 0.000 0.289 272 I C 0.677 176.710 176.117 -0.139 0.000 1.026 272 I CA -0.226 60.984 61.300 -0.149 0.000 1.078 272 I CB 2.094 40.009 38.000 -0.143 0.000 1.249 272 I HN 0.153 nan 8.210 nan 0.000 0.429 273 N N 5.340 123.974 118.700 -0.110 0.000 2.171 273 N HA 0.020 4.749 4.740 -0.018 0.000 0.184 273 N C 0.560 176.025 175.510 -0.075 0.000 1.021 273 N CA 0.937 53.947 53.050 -0.066 0.000 0.854 273 N CB 0.554 39.092 38.487 0.085 0.000 0.994 273 N HN 0.540 nan 8.380 nan 0.000 0.426 274 R N -0.173 120.258 120.500 -0.114 0.000 2.548 274 R HA 0.516 4.845 4.340 -0.018 0.000 0.280 274 R C -2.068 174.078 176.300 -0.258 0.000 1.061 274 R CA -0.528 55.451 56.100 -0.202 0.000 0.915 274 R CB 2.006 32.238 30.300 -0.112 0.000 1.210 274 R HN 0.079 nan 8.270 nan 0.000 0.442 275 A N 2.095 124.683 122.820 -0.387 0.000 2.374 275 A HA 0.733 5.043 4.320 -0.018 0.000 0.305 275 A C -1.164 176.175 177.584 -0.409 0.000 1.053 275 A CA -0.464 51.345 52.037 -0.380 0.000 0.726 275 A CB 1.633 20.294 19.000 -0.565 0.000 1.229 275 A HN 0.813 nan 8.150 nan 0.000 0.431 276 S N 1.184 116.827 115.700 -0.095 0.000 2.587 276 S HA 0.636 5.095 4.470 -0.018 0.000 0.269 276 S C -1.211 173.505 174.600 0.193 0.000 1.154 276 S CA -0.728 57.502 58.200 0.050 0.000 0.824 276 S CB 0.798 63.955 63.200 -0.071 0.000 1.118 276 S HN 0.592 nan 8.310 nan 0.000 0.462 277 I N 2.293 122.997 120.570 0.223 0.000 2.287 277 I HA 0.401 4.560 4.170 -0.018 0.000 0.290 277 I C 1.420 177.619 176.117 0.138 0.000 1.069 277 I CA -0.514 60.896 61.300 0.184 0.000 1.237 277 I CB 0.252 38.434 38.000 0.304 0.000 1.418 277 I HN 0.999 nan 8.210 nan 0.000 0.481 278 A N 5.164 128.051 122.820 0.111 0.000 2.119 278 A HA 0.035 4.344 4.320 -0.018 0.000 0.216 278 A C 0.820 178.461 177.584 0.094 0.000 1.152 278 A CA 1.070 53.201 52.037 0.157 0.000 0.708 278 A CB 0.077 19.199 19.000 0.203 0.000 0.805 278 A HN 0.655 nan 8.150 nan 0.000 0.460 279 E N -2.145 118.043 120.200 -0.021 0.000 2.401 279 E HA 0.608 4.947 4.350 -0.018 0.000 0.280 279 E C -1.252 175.308 176.600 -0.066 0.000 1.039 279 E CA -0.392 55.944 56.400 -0.108 0.000 0.814 279 E CB 0.979 30.418 29.700 -0.434 0.000 1.275 279 E HN 0.184 nan 8.360 nan 0.000 0.448 280 M N 3.582 123.150 119.600 -0.054 0.000 2.265 280 M HA 0.431 4.900 4.480 -0.018 0.000 0.262 280 M C -2.010 174.135 176.300 -0.259 0.000 1.026 280 M CA -0.728 54.431 55.300 -0.235 0.000 0.987 280 M CB 1.452 33.907 32.600 -0.243 0.000 1.937 280 M HN 0.388 nan 8.290 nan 0.000 0.481 281 V N 5.897 125.605 119.914 -0.344 0.000 2.459 281 V HA 0.674 4.783 4.120 -0.018 0.000 0.295 281 V C -1.090 174.731 176.094 -0.456 0.000 1.029 281 V CA -0.266 61.725 62.300 -0.514 0.000 0.874 281 V CB 2.083 33.510 31.823 -0.661 0.000 0.985 281 V HN 0.667 nan 8.190 nan 0.000 0.438 282 V N 9.235 128.945 119.914 -0.340 0.000 2.266 282 V HA 0.380 4.489 4.120 -0.018 0.000 0.266 282 V C -2.329 173.694 176.094 -0.119 0.000 1.036 282 V CA -1.365 60.752 62.300 -0.306 0.000 0.828 282 V CB 1.172 32.795 31.823 -0.333 0.000 1.081 282 V HN 0.782 nan 8.190 nan 0.000 0.449 283 P HA 0.301 nan 4.420 nan 0.000 0.280 283 P C -1.263 175.936 177.300 -0.167 0.000 1.244 283 P CA -0.263 62.788 63.100 -0.082 0.000 0.784 283 P CB 1.090 32.716 31.700 -0.124 0.000 0.913 284 Y N 0.557 120.827 120.300 -0.049 0.000 2.334 284 Y HA 0.457 4.996 4.550 -0.018 0.000 0.328 284 Y C 1.739 177.632 175.900 -0.011 0.000 1.130 284 Y CA 0.265 58.350 58.100 -0.025 0.000 1.163 284 Y CB 1.381 39.775 38.460 -0.111 0.000 1.207 284 Y HN 0.483 nan 8.280 nan 0.000 0.471 285 G N 1.176 110.029 108.800 0.088 0.000 3.605 285 G HA2 -0.012 3.937 3.960 -0.018 0.000 0.277 285 G HA3 -0.012 3.937 3.960 -0.018 0.000 0.277 285 G C -0.574 174.371 174.900 0.076 0.000 1.093 285 G CA -0.164 44.989 45.100 0.087 0.000 0.821 285 G HN 0.508 nan 8.290 nan 0.000 0.532 286 D N 1.228 121.666 120.400 0.064 0.000 2.280 286 D HA 0.235 4.864 4.640 -0.018 0.000 0.243 286 D C -1.099 175.198 176.300 -0.006 0.000 1.129 286 D CA -2.361 51.642 54.000 0.005 0.000 0.848 286 D CB 2.277 43.083 40.800 0.009 0.000 1.107 286 D HN 0.028 nan 8.370 nan 0.000 0.471 287 P HA -0.041 nan 4.420 nan 0.000 0.242 287 P C 0.354 177.658 177.300 0.007 0.000 1.197 287 P CA -0.001 63.103 63.100 0.008 0.000 0.765 287 P CB 0.181 31.892 31.700 0.018 0.000 0.936 288 S N 2.474 118.172 115.700 -0.004 0.000 2.537 288 S HA 0.097 4.557 4.470 -0.018 0.000 0.286 288 S C -0.899 173.721 174.600 0.032 0.000 1.299 288 S CA -1.155 57.053 58.200 0.013 0.000 1.067 288 S CB 0.230 63.423 63.200 -0.011 0.000 0.864 288 S HN 0.032 nan 8.310 nan 0.000 0.494 289 P HA -0.114 nan 4.420 nan 0.000 0.221 289 P C 1.370 178.831 177.300 0.269 0.000 1.145 289 P CA 0.709 63.904 63.100 0.158 0.000 0.795 289 P CB -0.048 31.742 31.700 0.151 0.000 0.775 290 I N -0.150 120.535 120.570 0.193 0.000 2.394 290 I HA -0.105 4.054 4.170 -0.018 0.000 0.251 290 I C 2.121 178.407 176.117 0.281 0.000 1.136 290 I CA 1.349 62.809 61.300 0.267 0.000 1.425 290 I CB -1.071 36.991 38.000 0.103 0.000 1.079 290 I HN 0.040 nan 8.210 nan 0.000 0.425 291 R N -0.714 119.730 120.500 -0.094 0.000 2.541 291 R HA 0.099 4.428 4.340 -0.018 0.000 0.332 291 R C 1.843 177.697 176.300 -0.742 0.000 0.951 291 R CA 0.481 56.218 56.100 -0.604 0.000 1.136 291 R CB 0.273 30.380 30.300 -0.322 0.000 1.449 291 R HN 0.263 nan 8.270 nan 0.000 0.531 292 S N 0.719 116.188 115.700 -0.385 0.000 2.537 292 S HA -0.106 4.353 4.470 -0.018 0.000 0.240 292 S C 1.273 175.692 174.600 -0.302 0.000 0.981 292 S CA 0.378 58.435 58.200 -0.238 0.000 0.948 292 S CB -0.375 62.778 63.200 -0.078 0.000 0.759 292 S HN 0.613 nan 8.310 nan 0.000 0.531 293 W N 0.273 121.419 121.300 -0.258 0.000 3.177 293 W HA 0.395 5.044 4.660 -0.018 0.000 0.309 293 W C 0.474 176.993 176.519 0.000 0.000 1.224 293 W CA -0.665 56.411 57.345 -0.449 0.000 1.718 293 W CB -0.577 28.510 29.460 -0.622 0.000 1.078 293 W HN 0.276 nan 8.180 nan 0.000 0.618 294 Q N 2.942 122.303 119.800 -0.731 0.000 2.286 294 Q HA 0.094 4.423 4.340 -0.018 0.000 0.265 294 Q C -0.788 175.184 176.000 -0.047 0.000 1.080 294 Q CA 0.732 56.161 55.803 -0.623 0.000 0.906 294 Q CB 0.134 28.193 28.738 -1.131 0.000 1.227 294 Q HN 0.021 nan 8.270 nan 0.000 0.409 295 N N 4.814 123.572 118.700 0.098 0.000 2.699 295 N HA 0.095 4.825 4.740 -0.018 0.000 0.271 295 N C -1.869 173.806 175.510 0.275 0.000 1.216 295 N CA -0.389 52.796 53.050 0.225 0.000 0.844 295 N CB 0.876 39.538 38.487 0.292 0.000 1.462 295 N HN 0.438 nan 8.380 nan 0.000 0.555 296 Y N 1.032 121.402 120.300 0.116 0.000 2.393 296 Y HA 0.289 4.828 4.550 -0.018 0.000 0.338 296 Y C 0.272 176.233 175.900 0.101 0.000 1.029 296 Y CA -0.155 58.046 58.100 0.169 0.000 1.239 296 Y CB 0.262 38.678 38.460 -0.074 0.000 1.170 296 Y HN 0.333 nan 8.280 nan 0.000 0.515 297 F N 3.180 123.357 119.950 0.377 0.000 2.329 297 F HA 0.223 4.740 4.527 -0.018 0.000 0.362 297 F C 0.731 176.728 175.800 0.329 0.000 1.113 297 F CA -0.989 57.163 58.000 0.254 0.000 1.212 297 F CB 0.386 39.504 39.000 0.198 0.000 1.509 297 F HN 0.533 nan 8.300 nan 0.000 0.546 298 D N -0.002 120.566 120.400 0.281 0.000 2.149 298 D HA -0.158 4.471 4.640 -0.018 0.000 0.198 298 D C 1.950 178.433 176.300 0.305 0.000 0.990 298 D CA 1.670 55.814 54.000 0.241 0.000 0.839 298 D CB 0.069 40.909 40.800 0.066 0.000 0.948 298 D HN 0.394 nan 8.370 nan 0.000 0.460 299 T N -0.862 113.819 114.554 0.212 0.000 2.814 299 T HA 0.035 4.374 4.350 -0.018 0.000 0.254 299 T C 2.084 176.839 174.700 0.092 0.000 1.037 299 T CA 1.088 63.267 62.100 0.132 0.000 1.143 299 T CB -0.607 68.298 68.868 0.062 0.000 0.866 299 T HN 0.262 nan 8.240 nan 0.000 0.431 300 G N 1.064 109.934 108.800 0.116 0.000 2.402 300 G HA2 -0.115 3.834 3.960 -0.018 0.000 0.216 300 G HA3 -0.115 3.834 3.960 -0.018 0.000 0.216 300 G C 1.460 176.402 174.900 0.070 0.000 1.162 300 G CA 0.569 45.675 45.100 0.010 0.000 0.777 300 G HN 0.478 nan 8.290 nan 0.000 0.539 301 E N -0.907 119.435 120.200 0.237 0.000 2.079 301 E HA 0.066 4.405 4.350 -0.018 0.000 0.191 301 E C 2.105 178.828 176.600 0.205 0.000 0.961 301 E CA 0.433 56.939 56.400 0.178 0.000 0.823 301 E CB -0.001 29.825 29.700 0.211 0.000 0.789 301 E HN 0.503 nan 8.360 nan 0.000 0.459 302 Y N 0.189 120.675 120.300 0.310 0.000 2.448 302 Y HA 0.231 4.771 4.550 -0.018 0.000 0.289 302 Y C 0.207 176.353 175.900 0.409 0.000 1.114 302 Y CA 0.168 58.530 58.100 0.437 0.000 1.235 302 Y CB 0.121 38.855 38.460 0.456 0.000 1.045 302 Y HN -0.108 nan 8.280 nan 0.000 0.554 303 L N 0.460 121.928 121.223 0.408 0.000 2.648 303 L HA -0.190 4.139 4.340 -0.018 0.000 0.643 303 L C 1.016 178.046 176.870 0.266 0.000 1.007 303 L CA 0.015 54.993 54.840 0.229 0.000 1.346 303 L CB -1.395 40.751 42.059 0.145 0.000 1.929 303 L HN 0.125 nan 8.230 nan 0.000 0.915 304 V N 0.153 120.199 119.914 0.220 0.000 2.427 304 V HA -0.076 4.033 4.120 -0.018 0.000 0.248 304 V C 2.150 178.380 176.094 0.227 0.000 1.051 304 V CA 2.121 64.588 62.300 0.278 0.000 1.048 304 V CB -0.476 31.473 31.823 0.209 0.000 0.666 304 V HN 0.897 nan 8.190 nan 0.000 0.456 305 G N 0.752 109.543 108.800 -0.016 0.000 2.448 305 G HA2 -0.292 3.658 3.960 -0.018 0.000 0.219 305 G HA3 -0.292 3.658 3.960 -0.018 0.000 0.219 305 G C 1.578 176.574 174.900 0.159 0.000 1.127 305 G CA 0.981 46.019 45.100 -0.104 0.000 0.766 305 G HN 0.814 nan 8.290 nan 0.000 0.552 306 Q N -0.998 118.796 119.800 -0.010 0.000 2.311 306 Q HA 0.008 4.337 4.340 -0.018 0.000 0.203 306 Q C 1.118 176.971 176.000 -0.246 0.000 0.954 306 Q CA 0.761 56.461 55.803 -0.172 0.000 0.885 306 Q CB -0.219 28.297 28.738 -0.371 0.000 0.963 306 Q HN 0.489 nan 8.270 nan 0.000 0.471 307 Y N 0.734 121.181 120.300 0.245 0.000 2.571 307 Y HA 0.491 5.030 4.550 -0.018 0.000 0.275 307 Y C 0.437 176.504 175.900 0.278 0.000 1.179 307 Y CA -0.679 57.562 58.100 0.235 0.000 1.242 307 Y CB -0.005 38.588 38.460 0.221 0.000 1.126 307 Y HN 0.169 nan 8.280 nan 0.000 0.524 308 A N 0.942 124.007 122.820 0.408 0.000 2.520 308 A HA 0.111 4.420 4.320 -0.018 0.000 0.245 308 A C 0.276 178.052 177.584 0.320 0.000 1.072 308 A CA -0.291 52.025 52.037 0.464 0.000 0.761 308 A CB -0.299 18.996 19.000 0.491 0.000 1.004 308 A HN 0.608 nan 8.150 nan 0.000 0.499 309 N N 0.883 119.775 118.700 0.320 0.000 2.424 309 N HA 0.314 5.043 4.740 -0.018 0.000 0.257 309 N C -0.347 175.255 175.510 0.153 0.000 1.250 309 N CA -0.330 52.846 53.050 0.209 0.000 0.946 309 N CB 0.626 39.221 38.487 0.180 0.000 1.175 309 N HN 0.514 nan 8.380 nan 0.000 0.477 310 S N 1.028 116.778 115.700 0.083 0.000 2.439 310 S HA 0.236 4.695 4.470 -0.018 0.000 0.282 310 S C -0.123 174.490 174.600 0.023 0.000 1.170 310 S CA -0.633 57.579 58.200 0.020 0.000 1.054 310 S CB -0.104 63.086 63.200 -0.018 0.000 0.956 310 S HN 0.258 nan 8.310 nan 0.000 0.490 311 L N 3.996 125.243 121.223 0.040 0.000 2.281 311 L HA 0.355 4.685 4.340 -0.018 0.000 0.285 311 L C 0.473 177.371 176.870 0.047 0.000 1.074 311 L CA -0.599 54.298 54.840 0.095 0.000 0.817 311 L CB 0.374 42.580 42.059 0.244 0.000 1.168 311 L HN 0.412 nan 8.230 nan 0.000 0.434 312 E N 2.929 123.158 120.200 0.048 0.000 2.283 312 E HA 0.249 4.588 4.350 -0.018 0.000 0.278 312 E C -0.428 176.244 176.600 0.119 0.000 1.027 312 E CA -0.910 55.516 56.400 0.043 0.000 0.843 312 E CB 2.081 31.789 29.700 0.014 0.000 1.062 312 E HN 0.262 nan 8.360 nan 0.000 0.401 313 L N 1.591 122.904 121.223 0.151 0.000 2.456 313 L HA 0.251 4.580 4.340 -0.018 0.000 0.272 313 L C 1.403 178.319 176.870 0.077 0.000 1.189 313 L CA 1.753 56.692 54.840 0.165 0.000 0.846 313 L CB 0.323 42.495 42.059 0.188 0.000 1.111 313 L HN 0.802 nan 8.230 nan 0.000 0.475 314 G N 1.941 110.770 108.800 0.049 0.000 2.304 314 G HA2 -0.357 3.592 3.960 -0.018 0.000 0.252 314 G HA3 -0.357 3.592 3.960 -0.018 0.000 0.252 314 G C 0.885 175.797 174.900 0.019 0.000 1.014 314 G CA 0.558 45.674 45.100 0.027 0.000 0.619 314 G HN 0.786 nan 8.290 nan 0.000 0.525 315 C N -0.394 118.921 119.300 0.024 0.000 2.598 315 C HA 0.316 4.765 4.460 -0.018 0.000 0.291 315 C C 2.247 177.241 174.990 0.007 0.000 1.437 315 C CA 1.273 60.296 59.018 0.008 0.000 1.864 315 C CB -0.674 27.067 27.740 0.002 0.000 2.068 315 C HN 0.510 nan 8.230 nan 0.000 0.618 316 D N 0.009 120.425 120.400 0.025 0.000 2.162 316 D HA 0.032 4.662 4.640 -0.018 0.000 0.205 316 D C 0.154 176.497 176.300 0.071 0.000 0.964 316 D CA 1.106 55.129 54.000 0.038 0.000 0.847 316 D CB 0.102 40.934 40.800 0.055 0.000 0.988 316 D HN 0.405 nan 8.370 nan 0.000 0.480 317 c N 1.956 120.587 118.600 0.052 0.000 2.316 317 c HA 0.491 5.050 4.570 -0.018 0.000 0.324 317 c C -0.210 173.822 174.090 -0.096 0.000 1.226 317 c CA -1.069 55.228 56.329 -0.054 0.000 1.450 317 c CB 0.561 43.019 42.510 -0.086 0.000 2.123 317 c HN 0.170 nan 8.230 nan 0.000 0.454 318 L N 4.117 125.266 121.223 -0.124 0.000 2.325 318 L HA 0.929 5.258 4.340 -0.018 0.000 0.279 318 L C 0.607 177.411 176.870 -0.110 0.000 1.054 318 L CA 1.871 56.666 54.840 -0.074 0.000 0.804 318 L CB 0.887 42.937 42.059 -0.015 0.000 1.200 318 L HN 1.071 nan 8.230 nan 0.000 0.436 319 G N 3.389 112.163 108.800 -0.043 0.000 2.416 319 G HA2 -0.152 3.797 3.960 -0.018 0.000 0.203 319 G HA3 -0.152 3.797 3.960 -0.018 0.000 0.203 319 G C -1.081 173.816 174.900 -0.004 0.000 1.227 319 G CA -0.203 44.896 45.100 -0.001 0.000 1.041 319 G HN 0.713 nan 8.290 nan 0.000 0.546 320 D N 1.404 121.828 120.400 0.040 0.000 2.396 320 D HA 0.477 5.107 4.640 -0.018 0.000 0.225 320 D C 0.054 176.386 176.300 0.053 0.000 1.121 320 D CA -0.245 53.780 54.000 0.042 0.000 0.853 320 D CB 0.307 41.142 40.800 0.059 0.000 1.043 320 D HN 0.372 nan 8.370 nan 0.000 0.500 321 I N 2.532 123.074 120.570 -0.046 0.000 2.441 321 I HA 0.224 4.383 4.170 -0.018 0.000 0.295 321 I C 0.559 176.584 176.117 -0.153 0.000 0.994 321 I CA -0.573 60.628 61.300 -0.165 0.000 1.144 321 I CB 1.550 39.253 38.000 -0.495 0.000 1.314 321 I HN 0.116 nan 8.210 nan 0.000 0.445 322 T N 6.270 120.807 114.554 -0.029 0.000 2.772 322 T HA 0.483 4.822 4.350 -0.018 0.000 0.288 322 T C -0.466 174.211 174.700 -0.037 0.000 0.994 322 T CA -0.236 61.904 62.100 0.067 0.000 0.951 322 T CB 0.276 69.338 68.868 0.324 0.000 0.933 322 T HN 0.154 nan 8.240 nan 0.000 0.447 323 Y N 2.290 122.644 120.300 0.092 0.000 2.335 323 Y HA 0.613 5.152 4.550 -0.018 0.000 0.323 323 Y C 0.328 176.250 175.900 0.036 0.000 1.224 323 Y CA -1.169 56.964 58.100 0.054 0.000 1.241 323 Y CB 0.877 39.358 38.460 0.035 0.000 1.235 323 Y HN 0.380 nan 8.280 nan 0.000 0.492 324 L N 1.306 122.654 121.223 0.209 0.000 2.381 324 L HA 0.493 4.822 4.340 -0.018 0.000 0.268 324 L C -0.601 176.278 176.870 0.014 0.000 0.997 324 L CA -0.641 54.248 54.840 0.083 0.000 0.818 324 L CB 2.036 44.117 42.059 0.037 0.000 1.310 324 L HN 0.511 nan 8.230 nan 0.000 0.416 325 S N 3.262 118.942 115.700 -0.032 0.000 2.269 325 S HA 0.318 4.777 4.470 -0.018 0.000 0.194 325 S C -2.345 172.173 174.600 -0.137 0.000 1.547 325 S CA -1.044 57.099 58.200 -0.094 0.000 1.186 325 S CB 0.636 63.800 63.200 -0.060 0.000 1.069 325 S HN 0.380 nan 8.310 nan 0.000 0.473 326 P HA 0.183 nan 4.420 nan 0.000 0.269 326 P C -0.717 176.481 177.300 -0.170 0.000 1.215 326 P CA -0.250 62.685 63.100 -0.275 0.000 0.780 326 P CB 0.723 32.003 31.700 -0.701 0.000 0.898 327 V N 3.767 123.654 119.914 -0.046 0.000 2.459 327 V HA 0.455 4.564 4.120 -0.018 0.000 0.295 327 V C 0.681 176.806 176.094 0.052 0.000 1.029 327 V CA -0.591 61.708 62.300 -0.001 0.000 0.874 327 V CB 1.122 32.955 31.823 0.016 0.000 0.985 327 V HN 0.495 nan 8.190 nan 0.000 0.438 328 I N 0.969 121.564 120.570 0.041 0.000 3.170 328 I HA 0.823 4.982 4.170 -0.018 0.000 0.312 328 I C -0.151 175.971 176.117 0.008 0.000 1.085 328 I CA -0.641 60.686 61.300 0.046 0.000 0.999 328 I CB 2.334 40.374 38.000 0.068 0.000 1.233 328 I HN 0.515 nan 8.210 nan 0.000 0.467 329 S N 1.280 116.966 115.700 -0.023 0.000 2.525 329 S HA 0.377 4.836 4.470 -0.018 0.000 0.290 329 S C -0.578 174.003 174.600 -0.031 0.000 1.152 329 S CA -0.615 57.566 58.200 -0.032 0.000 1.072 329 S CB 0.725 63.886 63.200 -0.065 0.000 1.027 329 S HN 0.807 nan 8.310 nan 0.000 0.500 330 D N 2.923 123.321 120.400 -0.004 0.000 2.447 330 D HA 0.373 5.003 4.640 -0.018 0.000 0.265 330 D C 1.261 177.504 176.300 -0.095 0.000 1.250 330 D CA -0.144 53.852 54.000 -0.007 0.000 1.046 330 D CB 0.074 40.920 40.800 0.078 0.000 1.095 330 D HN 0.475 nan 8.370 nan 0.000 0.555 331 A N -1.042 121.635 122.820 -0.239 0.000 2.186 331 A HA -0.055 4.254 4.320 -0.018 0.000 0.219 331 A C 1.431 178.620 177.584 -0.659 0.000 1.159 331 A CA 0.840 52.585 52.037 -0.487 0.000 0.680 331 A CB -0.945 17.659 19.000 -0.661 0.000 0.787 331 A HN 0.473 nan 8.150 nan 0.000 0.467 332 F N -1.871 118.091 119.950 0.020 0.000 2.678 332 F HA 0.410 4.926 4.527 -0.018 0.000 0.305 332 F C 1.751 177.547 175.800 -0.006 0.000 1.090 332 F CA 0.259 58.266 58.000 0.011 0.000 1.272 332 F CB 0.233 39.239 39.000 0.010 0.000 1.060 332 F HN 0.292 nan 8.300 nan 0.000 0.576 333 G N 0.558 109.404 108.800 0.077 0.000 2.176 333 G HA2 -0.277 3.672 3.960 -0.018 0.000 0.232 333 G HA3 -0.277 3.672 3.960 -0.018 0.000 0.232 333 G C -0.087 174.831 174.900 0.029 0.000 0.986 333 G CA -0.336 44.782 45.100 0.029 0.000 0.643 333 G HN 0.418 nan 8.290 nan 0.000 0.522 334 N N 2.466 121.212 118.700 0.077 0.000 2.518 334 N HA 0.527 5.256 4.740 -0.018 0.000 0.283 334 N C -2.273 173.254 175.510 0.028 0.000 1.119 334 N CA -1.136 51.945 53.050 0.051 0.000 0.983 334 N CB 1.611 40.146 38.487 0.081 0.000 1.139 334 N HN 0.158 nan 8.380 nan 0.000 0.465 335 P HA 0.101 nan 4.420 nan 0.000 0.275 335 P C -1.003 176.306 177.300 0.015 0.000 1.228 335 P CA -0.143 62.959 63.100 0.004 0.000 0.786 335 P CB 0.983 32.680 31.700 -0.006 0.000 0.927 336 R N 2.155 122.663 120.500 0.013 0.000 2.514 336 R HA 0.244 4.574 4.340 -0.018 0.000 0.296 336 R C -0.794 175.507 176.300 0.001 0.000 1.012 336 R CA -0.508 55.601 56.100 0.015 0.000 0.897 336 R CB 1.541 31.856 30.300 0.025 0.000 1.184 336 R HN 0.588 nan 8.270 nan 0.000 0.440 337 E N 4.745 124.940 120.200 -0.008 0.000 2.249 337 E HA 0.249 4.588 4.350 -0.018 0.000 0.280 337 E C -0.483 176.091 176.600 -0.043 0.000 1.016 337 E CA -0.485 55.896 56.400 -0.032 0.000 0.830 337 E CB 0.947 30.629 29.700 -0.029 0.000 1.081 337 E HN 0.518 nan 8.360 nan 0.000 0.395 338 I N 5.420 125.937 120.570 -0.088 0.000 2.313 338 I HA 0.206 4.365 4.170 -0.018 0.000 0.286 338 I C 0.499 176.550 176.117 -0.109 0.000 1.091 338 I CA -0.463 60.781 61.300 -0.094 0.000 1.216 338 I CB 0.526 38.431 38.000 -0.159 0.000 1.434 338 I HN 0.395 nan 8.210 nan 0.000 0.487 339 R N 6.735 127.187 120.500 -0.079 0.000 2.484 339 R HA -0.006 4.323 4.340 -0.018 0.000 0.293 339 R C 0.087 176.300 176.300 -0.146 0.000 1.023 339 R CA 0.187 56.226 56.100 -0.101 0.000 1.037 339 R CB 0.234 30.482 30.300 -0.086 0.000 0.951 339 R HN 0.642 nan 8.270 nan 0.000 0.418 340 N N 2.577 121.160 118.700 -0.194 0.000 2.727 340 N HA -0.171 4.558 4.740 -0.018 0.000 0.249 340 N C 0.532 176.003 175.510 -0.066 0.000 1.048 340 N CA 1.148 54.006 53.050 -0.321 0.000 0.714 340 N CB -1.283 36.728 38.487 -0.793 0.000 0.959 340 N HN 0.898 nan 8.380 nan 0.000 0.544 341 G N -0.987 107.793 108.800 -0.034 0.000 2.551 341 G HA2 0.240 4.189 3.960 -0.018 0.000 0.216 341 G HA3 0.240 4.189 3.960 -0.018 0.000 0.216 341 G C 0.538 175.504 174.900 0.110 0.000 1.137 341 G CA 0.256 45.355 45.100 -0.002 0.000 0.798 341 G HN 0.451 nan 8.290 nan 0.000 0.536 342 I N 0.274 120.924 120.570 0.134 0.000 2.498 342 I HA 0.317 4.476 4.170 -0.018 0.000 0.290 342 I C -0.852 175.396 176.117 0.219 0.000 1.032 342 I CA -0.924 60.482 61.300 0.177 0.000 1.073 342 I CB 2.456 40.502 38.000 0.077 0.000 1.251 342 I HN -0.200 nan 8.210 nan 0.000 0.426 343 c N 6.803 125.495 118.600 0.154 0.000 2.341 343 c HA 0.672 5.231 4.570 -0.018 0.000 0.338 343 c C 0.057 174.150 174.090 0.004 0.000 1.257 343 c CA -0.487 55.853 56.329 0.018 0.000 1.883 343 c CB 0.652 43.186 42.510 0.040 0.000 2.334 343 c HN 0.663 nan 8.230 nan 0.000 0.524 344 M N 6.018 125.580 119.600 -0.062 0.000 2.165 344 M HA 0.443 4.913 4.480 -0.018 0.000 0.283 344 M C -0.694 175.543 176.300 -0.105 0.000 0.978 344 M CA -0.120 55.071 55.300 -0.182 0.000 0.948 344 M CB 1.471 33.905 32.600 -0.278 0.000 1.599 344 M HN 0.931 nan 8.290 nan 0.000 0.450 345 H N 1.200 120.052 119.070 -0.364 0.000 3.014 345 H HA 0.550 5.095 4.556 -0.018 0.000 0.337 345 H C -1.958 173.237 175.328 -0.222 0.000 1.320 345 H CA -1.051 54.932 56.048 -0.107 0.000 1.128 345 H CB 1.170 30.933 29.762 0.002 0.000 1.862 345 H HN 0.717 nan 8.280 nan 0.000 0.536 346 E N 1.052 121.237 120.200 -0.026 0.000 2.195 346 E HA 0.505 4.845 4.350 -0.018 0.000 0.271 346 E C -0.942 175.662 176.600 0.008 0.000 0.923 346 E CA -0.967 55.330 56.400 -0.172 0.000 0.790 346 E CB 2.555 32.338 29.700 0.138 0.000 1.155 346 E HN 0.721 nan 8.360 nan 0.000 0.402 347 E N 1.802 121.983 120.200 -0.032 0.000 2.317 347 E HA 0.259 4.598 4.350 -0.018 0.000 0.270 347 E C -1.326 175.404 176.600 0.216 0.000 0.885 347 E CA -1.076 55.396 56.400 0.120 0.000 0.760 347 E CB 1.522 31.292 29.700 0.117 0.000 1.227 347 E HN 0.515 nan 8.360 nan 0.000 0.434 348 D N 1.722 122.261 120.400 0.232 0.000 2.488 348 D HA -0.115 4.514 4.640 -0.018 0.000 0.238 348 D C -0.951 175.573 176.300 0.373 0.000 1.138 348 D CA 0.383 54.530 54.000 0.245 0.000 0.873 348 D CB 0.489 41.379 40.800 0.150 0.000 1.183 348 D HN 0.530 nan 8.370 nan 0.000 0.458 349 W N 5.933 127.284 121.300 0.084 0.000 1.513 349 W HA 0.368 5.016 4.660 -0.019 0.000 0.311 349 W C 0.392 176.943 176.519 0.053 0.000 0.821 349 W CA 0.060 57.452 57.345 0.079 0.000 2.622 349 W CB 0.051 29.615 29.460 0.174 0.000 1.907 349 W HN 0.841 nan 8.180 nan 0.000 0.562 350 G N 1.926 110.654 108.800 -0.121 0.000 2.552 350 G HA2 -0.331 3.618 3.960 -0.018 0.000 0.265 350 G HA3 -0.331 3.618 3.960 -0.018 0.000 0.265 350 G C -0.354 174.512 174.900 -0.057 0.000 1.234 350 G CA -0.001 45.001 45.100 -0.163 0.000 0.944 350 G HN 0.078 nan 8.290 nan 0.000 0.568 351 I N 1.544 122.069 120.570 -0.075 0.000 2.441 351 I HA 0.235 4.394 4.170 -0.018 0.000 0.287 351 I C 1.581 177.707 176.117 0.015 0.000 1.049 351 I CA -0.180 61.103 61.300 -0.028 0.000 1.381 351 I CB 0.833 38.810 38.000 -0.037 0.000 1.409 351 I HN 0.615 nan 8.210 nan 0.000 0.523 352 L N 6.610 127.860 121.223 0.045 0.000 2.145 352 L HA 0.420 4.749 4.340 -0.018 0.000 0.201 352 L C 0.665 177.578 176.870 0.072 0.000 1.075 352 L CA 1.171 56.059 54.840 0.081 0.000 0.773 352 L CB 0.039 42.153 42.059 0.092 0.000 0.936 352 L HN 0.728 nan 8.230 nan 0.000 0.451 353 A N -0.623 122.240 122.820 0.072 0.000 2.589 353 A HA 0.652 4.961 4.320 -0.018 0.000 0.296 353 A C -1.117 176.550 177.584 0.138 0.000 1.062 353 A CA -0.616 51.497 52.037 0.127 0.000 0.686 353 A CB 1.087 20.222 19.000 0.226 0.000 1.282 353 A HN 0.052 nan 8.150 nan 0.000 0.404 354 K N 0.980 121.484 120.400 0.174 0.000 2.571 354 K HA 0.550 4.859 4.320 -0.018 0.000 0.252 354 K C -2.179 174.560 176.600 0.231 0.000 0.956 354 K CA -0.451 55.942 56.287 0.176 0.000 0.822 354 K CB 1.583 34.124 32.500 0.067 0.000 1.286 354 K HN 1.066 nan 8.250 nan 0.000 0.439 355 H N 0.480 119.630 119.070 0.133 0.000 3.026 355 H HA 0.413 4.958 4.556 -0.018 0.000 0.352 355 H C -1.858 173.497 175.328 0.044 0.000 1.090 355 H CA -0.314 55.765 56.048 0.052 0.000 1.268 355 H CB 1.964 31.731 29.762 0.009 0.000 1.816 355 H HN 0.404 nan 8.280 nan 0.000 0.518 356 S N 4.070 119.425 115.700 -0.575 0.000 2.594 356 S HA 0.169 4.628 4.470 -0.018 0.000 0.322 356 S C -0.914 173.262 174.600 -0.707 0.000 1.085 356 S CA -0.666 57.278 58.200 -0.427 0.000 1.116 356 S CB 0.551 63.614 63.200 -0.229 0.000 0.979 356 S HN 0.664 nan 8.310 nan 0.000 0.465 357 D N 2.220 122.307 120.400 -0.522 0.000 2.274 357 D HA 0.316 4.945 4.640 -0.018 0.000 0.239 357 D C 0.933 177.126 176.300 -0.178 0.000 1.104 357 D CA -0.589 53.213 54.000 -0.331 0.000 0.840 357 D CB 0.931 41.721 40.800 -0.016 0.000 1.100 357 D HN 0.252 nan 8.370 nan 0.000 0.477 358 L N 5.433 126.509 121.223 -0.245 0.000 1.976 358 L HA -0.041 4.288 4.340 -0.018 0.000 0.209 358 L C 1.503 178.385 176.870 0.020 0.000 1.071 358 L CA 1.612 56.355 54.840 -0.161 0.000 0.746 358 L CB -0.538 41.356 42.059 -0.275 0.000 0.890 358 L HN 0.606 nan 8.230 nan 0.000 0.432 359 W N -0.060 121.245 121.300 0.009 0.000 2.325 359 W HA -0.173 4.483 4.660 -0.007 0.000 0.299 359 W C 2.899 179.423 176.519 0.009 0.000 1.215 359 W CA 1.632 58.983 57.345 0.011 0.000 1.244 359 W CB -1.884 27.587 29.460 0.017 0.000 1.140 359 W HN 0.564 nan 8.180 nan 0.000 0.523 360 S N -1.349 114.484 115.700 0.223 0.000 2.524 360 S HA 0.350 4.810 4.470 -0.018 0.000 0.216 360 S C 1.740 176.389 174.600 0.081 0.000 0.987 360 S CA 0.679 58.961 58.200 0.136 0.000 0.909 360 S CB 0.049 63.320 63.200 0.118 0.000 0.781 360 S HN 0.435 nan 8.310 nan 0.000 0.521 361 G N 1.240 110.074 108.800 0.057 0.000 2.162 361 G HA2 -0.244 3.705 3.960 -0.018 0.000 0.260 361 G HA3 -0.244 3.705 3.960 -0.018 0.000 0.260 361 G C -0.012 174.897 174.900 0.015 0.000 0.976 361 G CA 0.406 45.522 45.100 0.027 0.000 0.655 361 G HN 0.605 nan 8.290 nan 0.000 0.533 362 I N 1.253 121.835 120.570 0.020 0.000 2.331 362 I HA 0.312 4.471 4.170 -0.018 0.000 0.292 362 I C -0.490 175.633 176.117 0.010 0.000 0.998 362 I CA -0.855 60.464 61.300 0.031 0.000 1.267 362 I CB 1.147 39.181 38.000 0.056 0.000 1.386 362 I HN -0.039 nan 8.210 nan 0.000 0.476 363 N N 6.384 125.102 118.700 0.029 0.000 2.392 363 N HA 0.342 5.071 4.740 -0.018 0.000 0.283 363 N C -1.369 174.215 175.510 0.124 0.000 1.003 363 N CA -0.470 52.595 53.050 0.024 0.000 0.892 363 N CB 2.081 40.561 38.487 -0.011 0.000 1.193 363 N HN 0.476 nan 8.380 nan 0.000 0.487 364 Y N 0.810 121.102 120.300 -0.014 0.000 2.406 364 Y HA 0.504 5.045 4.550 -0.015 0.000 0.340 364 Y C -1.120 174.787 175.900 0.012 0.000 0.975 364 Y CA -0.317 57.790 58.100 0.012 0.000 1.056 364 Y CB 1.703 40.187 38.460 0.039 0.000 1.210 364 Y HN 0.354 nan 8.280 nan 0.000 0.448 365 T N 6.809 121.183 114.554 -0.301 0.000 3.032 365 T HA 0.571 4.911 4.350 -0.018 0.000 0.312 365 T C -1.357 173.103 174.700 -0.401 0.000 1.078 365 T CA -0.985 60.968 62.100 -0.247 0.000 1.028 365 T CB 1.191 69.993 68.868 -0.110 0.000 1.091 365 T HN 0.415 nan 8.240 nan 0.000 0.457 366 R N 1.809 122.131 120.500 -0.297 0.000 2.686 366 R HA 0.532 4.862 4.340 -0.018 0.000 0.283 366 R C -0.469 175.787 176.300 -0.073 0.000 0.978 366 R CA -0.845 55.123 56.100 -0.220 0.000 0.897 366 R CB 2.193 32.358 30.300 -0.225 0.000 1.192 366 R HN 0.553 nan 8.270 nan 0.000 0.457 367 R N 1.213 121.693 120.500 -0.034 0.000 2.457 367 R HA 0.326 4.655 4.340 -0.018 0.000 0.284 367 R C 0.215 176.565 176.300 0.084 0.000 1.024 367 R CA -0.761 55.352 56.100 0.022 0.000 1.025 367 R CB 0.983 31.299 30.300 0.026 0.000 1.063 367 R HN 0.385 nan 8.270 nan 0.000 0.493 368 N N 1.292 120.077 118.700 0.142 0.000 2.476 368 N HA 0.381 5.110 4.740 -0.018 0.000 0.276 368 N C -1.033 174.678 175.510 0.334 0.000 1.204 368 N CA -0.567 52.636 53.050 0.254 0.000 0.974 368 N CB 1.098 39.780 38.487 0.325 0.000 1.204 368 N HN 0.597 nan 8.380 nan 0.000 0.543 369 R N -1.016 119.742 120.500 0.431 0.000 2.716 369 R HA 0.578 4.907 4.340 -0.018 0.000 0.271 369 R C -1.216 175.372 176.300 0.481 0.000 1.028 369 R CA -1.040 55.330 56.100 0.450 0.000 0.883 369 R CB 1.317 31.866 30.300 0.415 0.000 1.250 369 R HN 0.663 nan 8.270 nan 0.000 0.465 370 R N 1.061 121.658 120.500 0.163 0.000 2.725 370 R HA 0.539 4.868 4.340 -0.018 0.000 0.277 370 R C -1.249 174.601 176.300 -0.750 0.000 0.987 370 R CA -1.148 54.758 56.100 -0.323 0.000 0.901 370 R CB 1.822 31.546 30.300 -0.961 0.000 1.207 370 R HN 0.583 nan 8.270 nan 0.000 0.463 371 M N 2.808 121.594 119.600 -1.355 0.000 2.146 371 M HA 0.275 4.744 4.480 -0.018 0.000 0.357 371 M C -1.476 174.313 176.300 -0.852 0.000 1.261 371 M CA -0.364 54.080 55.300 -1.426 0.000 1.106 371 M CB 1.457 32.984 32.600 -1.789 0.000 1.612 371 M HN 0.516 nan 8.290 nan 0.000 0.470 372 V N 7.311 126.778 119.914 -0.746 0.000 2.459 372 V HA 0.560 4.669 4.120 -0.018 0.000 0.295 372 V C -0.341 175.524 176.094 -0.381 0.000 1.029 372 V CA -0.559 61.456 62.300 -0.477 0.000 0.874 372 V CB 1.454 32.969 31.823 -0.513 0.000 0.985 372 V HN 0.788 nan 8.190 nan 0.000 0.438 373 I N 4.644 125.077 120.570 -0.228 0.000 2.468 373 I HA 0.601 4.760 4.170 -0.018 0.000 0.285 373 I C -0.149 175.973 176.117 0.009 0.000 1.039 373 I CA 0.094 61.326 61.300 -0.113 0.000 1.074 373 I CB 1.942 39.862 38.000 -0.133 0.000 1.228 373 I HN 0.815 nan 8.210 nan 0.000 0.436 374 S N 5.464 121.179 115.700 0.025 0.000 2.671 374 S HA 0.878 5.338 4.470 -0.018 0.000 0.277 374 S C -0.965 173.732 174.600 0.161 0.000 1.165 374 S CA -0.751 57.418 58.200 -0.052 0.000 0.822 374 S CB 2.647 65.499 63.200 -0.580 0.000 1.150 374 S HN 0.534 nan 8.310 nan 0.000 0.479 375 F N -1.286 118.613 119.950 -0.084 0.000 2.693 375 F HA 0.870 5.386 4.527 -0.018 0.000 0.309 375 F C -2.247 173.616 175.800 0.104 0.000 1.129 375 F CA -1.626 56.426 58.000 0.086 0.000 0.948 375 F CB 0.707 39.819 39.000 0.186 0.000 1.315 375 F HN 0.626 nan 8.300 nan 0.000 0.447 376 F N 0.914 120.827 119.950 -0.060 0.000 2.546 376 F HA 0.758 5.275 4.527 -0.018 0.000 0.320 376 F C -0.013 175.854 175.800 0.112 0.000 1.076 376 F CA -0.392 57.560 58.000 -0.080 0.000 0.928 376 F CB 2.384 41.393 39.000 0.015 0.000 1.189 376 F HN 0.866 nan 8.300 nan 0.000 0.465 377 T N 1.324 116.088 114.554 0.351 0.000 2.896 377 T HA 0.617 4.956 4.350 -0.018 0.000 0.297 377 T C -1.365 173.555 174.700 0.367 0.000 1.108 377 T CA -0.394 61.962 62.100 0.426 0.000 1.004 377 T CB 1.434 70.593 68.868 0.485 0.000 1.159 377 T HN 0.551 nan 8.240 nan 0.000 0.499 378 T N 4.047 118.781 114.554 0.300 0.000 2.847 378 T HA 0.517 4.856 4.350 -0.018 0.000 0.291 378 T C -0.657 174.071 174.700 0.047 0.000 0.998 378 T CA -0.555 61.627 62.100 0.136 0.000 0.967 378 T CB 0.515 69.443 68.868 0.100 0.000 0.954 378 T HN 0.404 nan 8.240 nan 0.000 0.441 379 I N 3.929 124.478 120.570 -0.036 0.000 2.557 379 I HA 0.387 4.547 4.170 -0.018 0.000 0.277 379 I C 1.333 177.346 176.117 -0.173 0.000 1.106 379 I CA 0.108 61.323 61.300 -0.141 0.000 1.180 379 I CB -0.457 37.491 38.000 -0.087 0.000 1.392 379 I HN 0.981 nan 8.210 nan 0.000 0.506 380 G N 6.373 115.088 108.800 -0.141 0.000 2.687 380 G HA2 -0.313 3.636 3.960 -0.018 0.000 0.303 380 G HA3 -0.313 3.636 3.960 -0.018 0.000 0.303 380 G C 0.461 175.291 174.900 -0.118 0.000 1.209 380 G CA 0.448 45.540 45.100 -0.013 0.000 0.968 380 G HN 0.610 nan 8.290 nan 0.000 0.549 384 Y N 0.336 120.701 120.300 0.108 0.000 2.391 384 Y HA 0.702 5.242 4.550 -0.018 0.000 0.341 384 Y C 0.787 176.121 175.900 -0.943 0.000 0.965 384 Y CA -1.111 56.826 58.100 -0.271 0.000 1.067 384 Y CB 2.441 40.865 38.460 -0.060 0.000 1.199 384 Y HN 0.454 nan 8.280 nan 0.000 0.450 385 G N 2.298 110.256 108.800 -1.403 0.000 2.356 385 G HA2 0.588 4.537 3.960 -0.018 0.000 0.322 385 G HA3 0.588 4.537 3.960 -0.018 0.000 0.322 385 G C -1.648 172.734 174.900 -0.863 0.000 1.125 385 G CA -0.402 43.722 45.100 -1.626 0.000 0.885 385 G HN 0.339 nan 8.290 nan 0.000 0.467 386 F N 1.163 120.556 119.950 -0.928 0.000 2.449 386 F HA 0.492 5.009 4.527 -0.018 0.000 0.342 386 F C -0.712 174.708 175.800 -0.633 0.000 1.127 386 F CA -0.832 56.866 58.000 -0.504 0.000 0.975 386 F CB 1.912 40.826 39.000 -0.143 0.000 1.146 386 F HN 0.308 nan 8.300 nan 0.000 0.444 387 Y N 1.394 121.267 120.300 -0.711 0.000 2.391 387 Y HA 0.450 4.989 4.550 -0.018 0.000 0.341 387 Y C -1.076 174.109 175.900 -1.193 0.000 0.965 387 Y CA -1.443 56.179 58.100 -0.797 0.000 1.067 387 Y CB 1.460 39.392 38.460 -0.880 0.000 1.199 387 Y HN 0.522 nan 8.280 nan 0.000 0.450 388 W N 3.152 124.092 121.300 -0.600 0.000 2.573 388 W HA 0.625 5.274 4.660 -0.018 0.000 0.326 388 W C -1.462 174.588 176.519 -0.782 0.000 1.049 388 W CA -0.754 56.265 57.345 -0.543 0.000 1.220 388 W CB 1.228 30.547 29.460 -0.234 0.000 1.373 388 W HN 0.314 nan 8.180 nan 0.000 0.507 389 Y N 2.857 123.043 120.300 -0.189 0.000 2.425 389 Y HA 0.622 5.161 4.550 -0.018 0.000 0.344 389 Y C -0.346 175.210 175.900 -0.573 0.000 0.969 389 Y CA -1.571 56.214 58.100 -0.525 0.000 1.052 389 Y CB 1.191 39.228 38.460 -0.706 0.000 1.215 389 Y HN 0.060 nan 8.280 nan 0.000 0.451 390 L N 4.332 125.184 121.223 -0.619 0.000 2.325 390 L HA 0.517 4.847 4.340 -0.018 0.000 0.281 390 L C -1.166 175.514 176.870 -0.316 0.000 1.004 390 L CA -0.846 53.587 54.840 -0.678 0.000 0.823 390 L CB 1.096 42.417 42.059 -1.230 0.000 1.236 390 L HN 0.583 nan 8.230 nan 0.000 0.415 391 Y N 1.956 122.437 120.300 0.300 0.000 2.403 391 Y HA 0.298 4.837 4.550 -0.018 0.000 0.323 391 Y C 1.258 177.622 175.900 0.772 0.000 1.226 391 Y CA -0.697 57.687 58.100 0.474 0.000 1.235 391 Y CB 1.279 39.905 38.460 0.276 0.000 1.248 391 Y HN 0.444 nan 8.280 nan 0.000 0.489 392 L N 0.711 122.364 121.223 0.716 0.000 2.043 392 L HA -0.235 4.094 4.340 -0.018 0.000 0.212 392 L C 1.809 178.918 176.870 0.399 0.000 1.075 392 L CA 1.847 56.950 54.840 0.439 0.000 0.752 392 L CB -0.361 41.841 42.059 0.237 0.000 0.891 392 L HN 0.774 nan 8.230 nan 0.000 0.432 393 D N -0.376 120.238 120.400 0.357 0.000 2.363 393 D HA -0.041 4.588 4.640 -0.018 0.000 0.226 393 D C 1.407 177.804 176.300 0.160 0.000 1.020 393 D CA 0.952 55.056 54.000 0.174 0.000 0.892 393 D CB 0.247 41.119 40.800 0.120 0.000 0.900 393 D HN 0.397 nan 8.370 nan 0.000 0.531 394 G N -0.421 108.652 108.800 0.454 0.000 2.176 394 G HA2 -0.235 3.714 3.960 -0.018 0.000 0.232 394 G HA3 -0.235 3.714 3.960 -0.018 0.000 0.232 394 G C 0.345 175.732 174.900 0.810 0.000 0.986 394 G CA 0.183 45.593 45.100 0.517 0.000 0.643 394 G HN 0.441 nan 8.290 nan 0.000 0.522 395 T N 1.187 116.148 114.554 0.678 0.000 2.884 395 T HA 0.554 4.893 4.350 -0.018 0.000 0.298 395 T C 0.514 175.608 174.700 0.656 0.000 0.998 395 T CA 0.416 62.865 62.100 0.582 0.000 1.124 395 T CB 1.294 70.345 68.868 0.305 0.000 0.931 395 T HN 0.313 nan 8.240 nan 0.000 0.531 396 I N 2.944 123.819 120.570 0.507 0.000 2.389 396 I HA 0.427 4.587 4.170 -0.018 0.000 0.288 396 I C 0.192 176.467 176.117 0.263 0.000 0.999 396 I CA -0.484 60.989 61.300 0.289 0.000 1.129 396 I CB 1.536 39.677 38.000 0.234 0.000 1.288 396 I HN 0.603 nan 8.210 nan 0.000 0.444 397 E N 6.232 126.541 120.200 0.182 0.000 2.340 397 E HA 0.474 4.813 4.350 -0.018 0.000 0.273 397 E C -1.970 174.485 176.600 -0.243 0.000 0.891 397 E CA -0.673 55.741 56.400 0.024 0.000 0.757 397 E CB 2.655 32.501 29.700 0.243 0.000 1.231 397 E HN 0.404 nan 8.360 nan 0.000 0.439 398 F N 2.362 121.766 119.950 -0.910 0.000 2.532 398 F HA 0.497 5.013 4.527 -0.018 0.000 0.321 398 F C -1.137 174.126 175.800 -0.895 0.000 1.089 398 F CA -0.552 56.713 58.000 -1.226 0.000 0.926 398 F CB 1.796 39.716 39.000 -1.800 0.000 1.168 398 F HN 0.503 nan 8.300 nan 0.000 0.459 399 E N 4.268 123.314 120.200 -1.924 0.000 2.263 399 E HA 0.680 5.020 4.350 -0.018 0.000 0.268 399 E C -1.863 173.808 176.600 -1.547 0.000 0.884 399 E CA -0.961 54.672 56.400 -1.278 0.000 0.766 399 E CB 1.706 31.116 29.700 -0.483 0.000 1.196 399 E HN 0.859 nan 8.360 nan 0.000 0.416 400 A N 4.690 126.849 122.820 -1.101 0.000 2.276 400 A HA 0.512 4.821 4.320 -0.018 0.000 0.316 400 A C -0.732 176.557 177.584 -0.493 0.000 1.229 400 A CA -0.655 50.839 52.037 -0.906 0.000 0.851 400 A CB 0.696 19.004 19.000 -1.154 0.000 1.165 400 A HN 0.557 nan 8.150 nan 0.000 0.513 401 K N 1.807 121.987 120.400 -0.366 0.000 2.394 401 K HA 0.568 4.877 4.320 -0.018 0.000 0.260 401 K C -0.577 176.002 176.600 -0.035 0.000 0.967 401 K CA -0.283 55.913 56.287 -0.151 0.000 0.855 401 K CB 2.100 34.570 32.500 -0.049 0.000 1.101 401 K HN 0.732 nan 8.250 nan 0.000 0.433 402 A N 2.610 125.459 122.820 0.049 0.000 2.276 402 A HA 0.551 4.860 4.320 -0.018 0.000 0.316 402 A C -0.093 177.503 177.584 0.019 0.000 1.229 402 A CA -0.216 51.880 52.037 0.098 0.000 0.851 402 A CB 1.243 20.283 19.000 0.067 0.000 1.165 402 A HN 0.680 nan 8.150 nan 0.000 0.513 403 T N 0.869 115.391 114.554 -0.053 0.000 2.598 403 T HA 0.785 5.124 4.350 -0.018 0.000 0.289 403 T C 0.449 175.041 174.700 -0.180 0.000 1.056 403 T CA 1.085 63.140 62.100 -0.075 0.000 1.088 403 T CB 0.632 69.497 68.868 -0.005 0.000 1.519 403 T HN 2.633 nan 8.240 nan 0.000 0.488 404 G N -0.047 108.632 108.800 -0.203 0.000 2.466 404 G HA2 -0.031 3.918 3.960 -0.018 0.000 0.218 404 G HA3 -0.031 3.918 3.960 -0.018 0.000 0.218 404 G C -1.085 173.645 174.900 -0.283 0.000 1.237 404 G CA -0.190 44.753 45.100 -0.262 0.000 0.954 404 G HN 1.397 nan 8.290 nan 0.000 0.580 405 V N 1.247 120.959 119.914 -0.336 0.000 2.495 405 V HA 0.642 4.752 4.120 -0.018 0.000 0.298 405 V C 1.112 177.059 176.094 -0.244 0.000 1.031 405 V CA -0.129 61.988 62.300 -0.305 0.000 0.871 405 V CB 1.121 32.694 31.823 -0.416 0.000 0.988 405 V HN 1.733 nan 8.190 nan 0.000 0.432 406 V N 2.014 121.933 119.914 0.008 0.000 2.924 406 V HA 0.448 4.557 4.120 -0.018 0.000 0.305 406 V C -0.206 175.965 176.094 0.128 0.000 1.073 406 V CA -0.309 62.056 62.300 0.110 0.000 1.098 406 V CB 0.652 32.623 31.823 0.247 0.000 1.000 406 V HN 0.620 nan 8.190 nan 0.000 0.484 407 F N 4.530 124.497 119.950 0.029 0.000 2.471 407 F HA 0.493 5.009 4.527 -0.018 0.000 0.365 407 F C 1.032 176.974 175.800 0.237 0.000 1.095 407 F CA 0.407 58.473 58.000 0.109 0.000 1.174 407 F CB 0.642 39.653 39.000 0.020 0.000 1.105 407 F HN 1.000 nan 8.300 nan 0.000 0.535 408 T N 1.730 116.291 114.554 0.011 0.000 2.912 408 T HA 0.802 5.141 4.350 -0.018 0.000 0.280 408 T C -0.031 174.700 174.700 0.052 0.000 0.989 408 T CA -0.186 61.961 62.100 0.078 0.000 0.995 408 T CB 1.639 70.535 68.868 0.047 0.000 1.077 408 T HN 0.694 nan 8.240 nan 0.000 0.531 409 S N -0.410 115.298 115.700 0.013 0.000 2.790 409 S HA 0.780 5.239 4.470 -0.018 0.000 0.292 409 S C -0.733 173.810 174.600 -0.095 0.000 1.197 409 S CA -0.774 57.385 58.200 -0.068 0.000 0.851 409 S CB 0.791 63.970 63.200 -0.036 0.000 1.217 409 S HN 1.419 nan 8.310 nan 0.000 0.526 410 A N 0.434 123.142 122.820 -0.188 0.000 2.304 410 A HA 0.729 5.038 4.320 -0.018 0.000 0.301 410 A C -0.919 176.672 177.584 0.012 0.000 1.132 410 A CA -0.487 51.495 52.037 -0.093 0.000 0.819 410 A CB 0.020 18.917 19.000 -0.171 0.000 1.094 410 A HN 0.932 nan 8.150 nan 0.000 0.492 411 F N 4.393 124.333 119.950 -0.017 0.000 2.404 411 F HA 0.467 4.983 4.527 -0.018 0.000 0.358 411 F C -1.807 174.039 175.800 0.076 0.000 1.120 411 F CA -2.611 55.393 58.000 0.006 0.000 1.144 411 F CB 1.039 40.035 39.000 -0.007 0.000 1.133 411 F HN 0.359 nan 8.300 nan 0.000 0.495 412 P HA -0.037 nan 4.420 nan 0.000 0.268 412 P C -0.666 176.462 177.300 -0.286 0.000 1.204 412 P CA -0.105 62.852 63.100 -0.239 0.000 0.768 412 P CB 0.671 32.247 31.700 -0.208 0.000 0.842 413 E N 1.825 121.977 120.200 -0.081 0.000 2.415 413 E HA 0.209 4.548 4.350 -0.018 0.000 0.260 413 E C 0.857 177.421 176.600 -0.060 0.000 1.016 413 E CA 0.519 56.903 56.400 -0.026 0.000 0.924 413 E CB -0.570 29.120 29.700 -0.017 0.000 0.961 413 E HN 0.813 nan 8.360 nan 0.000 0.459 414 G N 3.001 111.789 108.800 -0.020 0.000 2.138 414 G HA2 -0.118 3.831 3.960 -0.018 0.000 0.193 414 G HA3 -0.118 3.831 3.960 -0.018 0.000 0.193 414 G C 0.556 175.428 174.900 -0.046 0.000 0.998 414 G CA -0.117 44.972 45.100 -0.019 0.000 0.668 414 G HN 1.328 nan 8.290 nan 0.000 0.516 415 G N -1.366 107.373 108.800 -0.101 0.000 2.804 415 G HA2 0.371 4.320 3.960 -0.018 0.000 0.230 415 G HA3 0.371 4.320 3.960 -0.018 0.000 0.230 415 G C -0.026 174.684 174.900 -0.316 0.000 1.386 415 G CA 0.937 45.961 45.100 -0.127 0.000 0.875 415 G HN 2.278 nan 8.290 nan 0.000 0.557 416 S N -1.398 114.225 115.700 -0.128 0.000 2.543 416 S HA 0.579 5.038 4.470 -0.018 0.000 0.274 416 S C -0.154 174.454 174.600 0.014 0.000 1.149 416 S CA 0.411 58.538 58.200 -0.123 0.000 0.866 416 S CB 1.725 64.765 63.200 -0.268 0.000 1.111 416 S HN 0.607 nan 8.310 nan 0.000 0.457 417 D N 2.397 122.794 120.400 -0.005 0.000 2.350 417 D HA 0.178 4.808 4.640 -0.018 0.000 0.213 417 D C 0.324 176.637 176.300 0.021 0.000 1.031 417 D CA 0.511 54.557 54.000 0.077 0.000 0.861 417 D CB 0.042 40.891 40.800 0.081 0.000 0.926 417 D HN 0.615 nan 8.370 nan 0.000 0.520 418 N N -0.502 118.024 118.700 -0.290 0.000 2.184 418 N HA 0.263 4.993 4.740 -0.018 0.000 0.234 418 N C -0.384 174.367 175.510 -1.265 0.000 1.282 418 N CA -0.005 52.656 53.050 -0.648 0.000 0.877 418 N CB 1.703 40.072 38.487 -0.196 0.000 1.184 418 N HN -0.005 nan 8.380 nan 0.000 0.510 419 I N 0.304 120.284 120.570 -0.983 0.000 2.722 419 I HA 0.364 4.523 4.170 -0.018 0.000 0.295 419 I C -0.708 175.446 176.117 0.062 0.000 1.161 419 I CA -0.946 60.078 61.300 -0.460 0.000 1.032 419 I CB 2.215 40.169 38.000 -0.077 0.000 1.244 419 I HN -0.049 nan 8.210 nan 0.000 0.421 420 S N 3.553 119.453 115.700 0.334 0.000 2.621 420 S HA 0.564 5.023 4.470 -0.018 0.000 0.302 420 S C -0.762 173.854 174.600 0.027 0.000 1.093 420 S CA -0.831 57.579 58.200 0.351 0.000 1.017 420 S CB 2.065 65.545 63.200 0.466 0.000 1.077 420 S HN 0.666 nan 8.310 nan 0.000 0.517 421 Q N 0.463 119.990 119.800 -0.455 0.000 2.256 421 Q HA 0.496 4.825 4.340 -0.018 0.000 0.254 421 Q C -0.336 175.488 176.000 -0.294 0.000 0.916 421 Q CA -0.554 54.846 55.803 -0.671 0.000 0.932 421 Q CB 0.785 28.763 28.738 -1.267 0.000 1.207 421 Q HN 0.853 nan 8.270 nan 0.000 0.426 422 L N 2.148 123.216 121.223 -0.258 0.000 2.642 422 L HA 0.575 4.904 4.340 -0.018 0.000 0.233 422 L C 0.306 177.036 176.870 -0.233 0.000 1.077 422 L CA 0.118 54.833 54.840 -0.208 0.000 0.879 422 L CB 0.657 42.526 42.059 -0.317 0.000 1.151 422 L HN 0.661 nan 8.230 nan 0.000 0.495 423 A N -0.952 121.703 122.820 -0.275 0.000 2.536 423 A HA 0.647 4.956 4.320 -0.018 0.000 0.293 423 A C -2.795 174.711 177.584 -0.130 0.000 1.119 423 A CA -0.949 50.984 52.037 -0.175 0.000 0.654 423 A CB 0.261 19.133 19.000 -0.213 0.000 1.291 423 A HN -0.236 nan 8.150 nan 0.000 0.439 424 P HA 0.333 nan 4.420 nan 0.000 0.265 424 P C 0.931 178.240 177.300 0.015 0.000 1.222 424 P CA 2.107 65.200 63.100 -0.011 0.000 0.767 424 P CB 0.428 32.137 31.700 0.015 0.000 0.801 425 G N 2.492 111.332 108.800 0.066 0.000 2.212 425 G HA2 -0.279 3.670 3.960 -0.018 0.000 0.266 425 G HA3 -0.279 3.670 3.960 -0.018 0.000 0.266 425 G C -0.136 174.823 174.900 0.097 0.000 0.978 425 G CA -0.172 45.001 45.100 0.122 0.000 0.632 425 G HN 0.558 nan 8.290 nan 0.000 0.537 426 L N 2.091 123.304 121.223 -0.016 0.000 2.265 426 L HA 0.760 5.089 4.340 -0.018 0.000 0.288 426 L C 0.812 177.639 176.870 -0.071 0.000 1.058 426 L CA 0.132 54.902 54.840 -0.118 0.000 0.809 426 L CB 0.919 42.767 42.059 -0.353 0.000 1.179 426 L HN 0.384 nan 8.230 nan 0.000 0.429 427 G N 3.430 112.246 108.800 0.026 0.000 2.509 427 G HA2 0.769 4.718 3.960 -0.018 0.000 0.328 427 G HA3 0.769 4.718 3.960 -0.018 0.000 0.328 427 G C -1.531 173.412 174.900 0.072 0.000 1.194 427 G CA -0.271 44.915 45.100 0.144 0.000 0.967 427 G HN 0.978 nan 8.290 nan 0.000 0.488 428 A N 1.479 124.397 122.820 0.163 0.000 2.679 428 A HA 0.705 5.014 4.320 -0.018 0.000 0.288 428 A C -2.757 175.015 177.584 0.313 0.000 1.160 428 A CA -1.178 50.999 52.037 0.234 0.000 0.763 428 A CB 1.544 20.686 19.000 0.237 0.000 1.270 428 A HN 0.465 nan 8.150 nan 0.000 0.417 429 P HA 0.176 nan 4.420 nan 0.000 0.266 429 P C -0.437 177.155 177.300 0.487 0.000 1.195 429 P CA 0.255 63.524 63.100 0.282 0.000 0.768 429 P CB 0.289 32.186 31.700 0.327 0.000 0.838 430 F N 3.105 123.182 119.950 0.210 0.000 2.518 430 F HA 0.179 4.696 4.527 -0.018 0.000 0.359 430 F C 1.669 177.400 175.800 -0.115 0.000 1.118 430 F CA 0.497 58.501 58.000 0.007 0.000 1.287 430 F CB -0.566 38.435 39.000 0.001 0.000 1.132 430 F HN 0.509 nan 8.300 nan 0.000 0.587 431 H N -0.120 118.807 119.070 -0.239 0.000 2.883 431 H HA 0.539 5.084 4.556 -0.018 0.000 0.277 431 H C -1.767 173.280 175.328 -0.468 0.000 1.451 431 H CA -1.100 54.611 56.048 -0.563 0.000 1.157 431 H CB 1.562 30.579 29.762 -1.241 0.000 1.851 431 H HN 0.576 nan 8.280 nan 0.000 0.566 432 Q N 0.056 119.597 119.800 -0.431 0.000 2.456 432 Q HA 0.372 4.701 4.340 -0.018 0.000 0.283 432 Q C -1.186 174.567 176.000 -0.413 0.000 1.084 432 Q CA -0.902 54.676 55.803 -0.376 0.000 0.801 432 Q CB 3.141 31.701 28.738 -0.297 0.000 1.434 432 Q HN 0.571 nan 8.270 nan 0.000 0.419 433 H N 1.451 120.336 119.070 -0.308 0.000 2.887 433 H HA 0.436 4.981 4.556 -0.018 0.000 0.300 433 H C -0.853 174.202 175.328 -0.455 0.000 1.038 433 H CA -0.235 55.578 56.048 -0.391 0.000 1.352 433 H CB 0.788 30.384 29.762 -0.278 0.000 1.473 433 H HN 0.421 nan 8.280 nan 0.000 0.503 434 I N 3.804 124.097 120.570 -0.461 0.000 2.378 434 I HA 0.256 4.416 4.170 -0.018 0.000 0.291 434 I C -0.542 175.260 176.117 -0.526 0.000 0.992 434 I CA -0.614 60.463 61.300 -0.373 0.000 1.154 434 I CB 1.061 38.889 38.000 -0.287 0.000 1.315 434 I HN 0.205 nan 8.210 nan 0.000 0.448 435 F N 2.951 122.601 119.950 -0.500 0.000 2.497 435 F HA 0.557 5.073 4.527 -0.018 0.000 0.331 435 F C 0.573 176.152 175.800 -0.368 0.000 1.060 435 F CA -0.904 56.781 58.000 -0.526 0.000 0.989 435 F CB 1.710 40.136 39.000 -0.957 0.000 1.245 435 F HN 0.258 nan 8.300 nan 0.000 0.486 436 S N 0.842 116.559 115.700 0.028 0.000 2.756 436 S HA 0.771 5.230 4.470 -0.018 0.000 0.303 436 S C -1.022 173.658 174.600 0.133 0.000 1.135 436 S CA -0.518 57.733 58.200 0.085 0.000 1.066 436 S CB 0.495 63.603 63.200 -0.153 0.000 1.008 436 S HN 0.845 nan 8.310 nan 0.000 0.482 437 A N 4.661 127.604 122.820 0.204 0.000 2.274 437 A HA 0.667 4.976 4.320 -0.018 0.000 0.309 437 A C 0.082 177.692 177.584 0.044 0.000 1.226 437 A CA -0.680 51.446 52.037 0.149 0.000 0.853 437 A CB 0.467 19.517 19.000 0.083 0.000 1.146 437 A HN 0.842 nan 8.150 nan 0.000 0.518 438 R N 3.192 123.663 120.500 -0.049 0.000 2.255 438 R HA 0.561 4.890 4.340 -0.018 0.000 0.326 438 R C -1.576 174.556 176.300 -0.279 0.000 0.986 438 R CA -0.372 55.517 56.100 -0.353 0.000 0.847 438 R CB 0.380 30.345 30.300 -0.559 0.000 1.111 438 R HN 0.707 nan 8.270 nan 0.000 0.452 439 L N 4.551 125.593 121.223 -0.302 0.000 2.337 439 L HA 0.253 4.582 4.340 -0.018 0.000 0.269 439 L C -0.562 176.191 176.870 -0.195 0.000 1.018 439 L CA -0.874 53.861 54.840 -0.176 0.000 0.876 439 L CB 1.476 43.490 42.059 -0.075 0.000 1.236 439 L HN 0.574 nan 8.230 nan 0.000 0.436 440 D N 4.708 125.002 120.400 -0.177 0.000 2.383 440 D HA 0.145 4.775 4.640 -0.018 0.000 0.245 440 D C 0.210 176.488 176.300 -0.036 0.000 1.263 440 D CA -0.229 53.715 54.000 -0.093 0.000 0.936 440 D CB 0.593 41.356 40.800 -0.061 0.000 1.053 440 D HN 0.124 nan 8.370 nan 0.000 0.507 441 M N 2.451 122.045 119.600 -0.009 0.000 2.245 441 M HA 0.313 4.782 4.480 -0.018 0.000 0.344 441 M C 0.437 176.737 176.300 0.001 0.000 1.170 441 M CA -0.359 54.936 55.300 -0.008 0.000 1.135 441 M CB 0.697 33.309 32.600 0.020 0.000 1.574 441 M HN 0.485 nan 8.290 nan 0.000 0.452 442 A N 4.081 126.841 122.820 -0.100 0.000 3.292 442 A HA 0.378 4.688 4.320 -0.018 0.000 0.231 442 A C -0.239 177.255 177.584 -0.150 0.000 0.952 442 A CA -0.531 51.362 52.037 -0.239 0.000 1.044 442 A CB 0.065 18.800 19.000 -0.440 0.000 1.236 442 A HN 0.614 nan 8.150 nan 0.000 0.525 443 I N 1.700 122.245 120.570 -0.040 0.000 2.849 443 I HA 0.019 4.178 4.170 -0.018 0.000 0.288 443 I C 0.326 176.512 176.117 0.115 0.000 1.156 443 I CA 0.893 62.249 61.300 0.093 0.000 1.394 443 I CB -1.357 36.734 38.000 0.153 0.000 1.462 443 I HN 0.461 nan 8.210 nan 0.000 0.587 444 D N 4.835 125.322 120.400 0.144 0.000 2.837 444 D HA -0.149 4.480 4.640 -0.018 0.000 0.230 444 D C 0.661 176.923 176.300 -0.063 0.000 1.152 444 D CA 1.653 55.667 54.000 0.023 0.000 0.736 444 D CB -0.757 40.010 40.800 -0.054 0.000 1.084 444 D HN 1.110 nan 8.370 nan 0.000 0.429 445 G N -2.241 106.466 108.800 -0.155 0.000 2.408 445 G HA2 -0.096 3.853 3.960 -0.018 0.000 0.682 445 G HA3 -0.096 3.853 3.960 -0.018 0.000 0.682 445 G C 0.350 175.080 174.900 -0.282 0.000 1.303 445 G CA -0.364 44.582 45.100 -0.256 0.000 0.966 445 G HN 0.035 nan 8.290 nan 0.000 0.560 446 F N 0.680 120.623 119.950 -0.012 0.000 2.456 446 F HA 0.167 4.684 4.527 -0.018 0.000 0.298 446 F C 2.432 178.233 175.800 0.001 0.000 1.104 446 F CA 1.396 59.384 58.000 -0.021 0.000 1.435 446 F CB -0.018 38.953 39.000 -0.047 0.000 1.078 446 F HN 0.320 nan 8.300 nan 0.000 0.546 447 T N 2.894 117.539 114.554 0.153 0.000 3.162 447 T HA 0.098 4.437 4.350 -0.018 0.000 0.264 447 T C -0.081 174.672 174.700 0.088 0.000 0.959 447 T CA -0.022 62.144 62.100 0.109 0.000 1.118 447 T CB -0.697 68.216 68.868 0.075 0.000 0.979 447 T HN 0.020 nan 8.240 nan 0.000 0.679 448 N N 2.633 121.395 118.700 0.102 0.000 2.545 448 N HA 0.743 5.472 4.740 -0.018 0.000 0.289 448 N C -0.127 175.438 175.510 0.092 0.000 1.279 448 N CA -1.056 52.049 53.050 0.092 0.000 0.824 448 N CB 1.883 40.427 38.487 0.094 0.000 1.395 448 N HN 0.618 nan 8.380 nan 0.000 0.526 449 R N -1.860 118.695 120.500 0.091 0.000 2.734 449 R HA 0.783 5.112 4.340 -0.018 0.000 0.271 449 R C -1.888 174.474 176.300 0.103 0.000 1.021 449 R CA -0.878 55.278 56.100 0.093 0.000 0.893 449 R CB 0.708 31.056 30.300 0.080 0.000 1.244 449 R HN 0.191 nan 8.270 nan 0.000 0.464 450 V N 0.832 120.813 119.914 0.112 0.000 2.656 450 V HA 0.442 4.551 4.120 -0.018 0.000 0.307 450 V C -0.699 175.482 176.094 0.145 0.000 1.051 450 V CA -0.742 61.641 62.300 0.138 0.000 0.893 450 V CB 1.900 33.812 31.823 0.148 0.000 0.999 450 V HN 0.763 nan 8.190 nan 0.000 0.426 451 E N 2.114 122.405 120.200 0.153 0.000 2.238 451 E HA 0.459 4.798 4.350 -0.018 0.000 0.267 451 E C -0.965 175.728 176.600 0.155 0.000 0.887 451 E CA -0.662 55.815 56.400 0.128 0.000 0.769 451 E CB 2.793 32.539 29.700 0.077 0.000 1.187 451 E HN 0.736 nan 8.360 nan 0.000 0.416 452 E N 2.627 122.903 120.200 0.127 0.000 2.115 452 E HA 0.075 4.415 4.350 -0.018 0.000 0.282 452 E C -1.033 175.499 176.600 -0.114 0.000 0.987 452 E CA -0.298 56.100 56.400 -0.004 0.000 0.797 452 E CB 0.906 30.674 29.700 0.114 0.000 1.086 452 E HN 0.394 nan 8.360 nan 0.000 0.397 453 E N 4.387 124.451 120.200 -0.226 0.000 2.134 453 E HA 0.160 4.499 4.350 -0.018 0.000 0.278 453 E C -1.189 175.300 176.600 -0.184 0.000 0.959 453 E CA -0.756 55.553 56.400 -0.153 0.000 0.783 453 E CB 0.881 30.514 29.700 -0.111 0.000 1.095 453 E HN 0.424 nan 8.360 nan 0.000 0.399 454 D N 2.591 122.925 120.400 -0.111 0.000 2.252 454 D HA 0.258 4.887 4.640 -0.018 0.000 0.245 454 D C -0.527 175.746 176.300 -0.043 0.000 1.009 454 D CA -0.549 53.394 54.000 -0.095 0.000 0.870 454 D CB 2.129 42.888 40.800 -0.069 0.000 1.251 454 D HN 0.158 nan 8.370 nan 0.000 0.460 455 V N 1.493 121.382 119.914 -0.040 0.000 2.686 455 V HA 0.223 4.332 4.120 -0.018 0.000 0.295 455 V C 0.174 176.274 176.094 0.010 0.000 1.055 455 V CA -0.281 62.017 62.300 -0.003 0.000 1.050 455 V CB 1.499 33.289 31.823 -0.054 0.000 0.984 455 V HN 0.253 nan 8.190 nan 0.000 0.482 456 V N 6.012 125.963 119.914 0.061 0.000 2.444 456 V HA 0.462 4.571 4.120 -0.018 0.000 0.294 456 V C 0.144 176.291 176.094 0.088 0.000 1.022 456 V CA -0.805 61.528 62.300 0.055 0.000 0.850 456 V CB 1.644 33.498 31.823 0.052 0.000 0.992 456 V HN 0.810 nan 8.190 nan 0.000 0.426 457 R N 3.457 123.987 120.500 0.050 0.000 2.457 457 R HA 0.585 4.914 4.340 -0.018 0.000 0.284 457 R C -0.594 175.743 176.300 0.062 0.000 1.024 457 R CA -0.533 55.604 56.100 0.061 0.000 1.025 457 R CB 1.325 31.634 30.300 0.016 0.000 1.063 457 R HN 0.672 nan 8.270 nan 0.000 0.493 458 Q N 0.516 120.363 119.800 0.077 0.000 2.342 458 Q HA 0.281 4.610 4.340 -0.018 0.000 0.267 458 Q C -0.714 175.309 176.000 0.039 0.000 1.038 458 Q CA -0.664 55.170 55.803 0.053 0.000 0.832 458 Q CB 2.497 31.267 28.738 0.053 0.000 1.323 458 Q HN 0.458 nan 8.270 nan 0.000 0.448 459 T N 2.264 116.834 114.554 0.027 0.000 2.884 459 T HA 0.199 4.539 4.350 -0.018 0.000 0.298 459 T C 0.053 174.764 174.700 0.019 0.000 0.998 459 T CA -0.249 61.863 62.100 0.020 0.000 1.124 459 T CB 0.394 69.270 68.868 0.015 0.000 0.931 459 T HN 0.467 nan 8.240 nan 0.000 0.531 460 M N 3.101 122.711 119.600 0.017 0.000 2.228 460 M HA 0.460 4.929 4.480 -0.018 0.000 0.351 460 M C 0.470 176.776 176.300 0.010 0.000 1.233 460 M CA 0.806 56.115 55.300 0.015 0.000 1.129 460 M CB -0.403 32.206 32.600 0.014 0.000 1.604 460 M HN 0.893 nan 8.290 nan 0.000 0.457 461 G N 4.276 113.081 108.800 0.008 0.000 2.351 461 G HA2 0.197 4.146 3.960 -0.018 0.000 0.279 461 G HA3 0.197 4.146 3.960 -0.018 0.000 0.279 461 G C -3.386 171.516 174.900 0.004 0.000 1.297 461 G CA -1.157 43.947 45.100 0.006 0.000 0.886 461 G HN 0.427 nan 8.290 nan 0.000 0.493 462 P HA 0.290 nan 4.420 nan 0.000 0.260 462 P C 1.050 178.350 177.300 0.000 0.000 1.172 462 P CA 2.408 65.508 63.100 0.001 0.000 0.760 462 P CB 0.601 32.302 31.700 0.001 0.000 0.773 463 G N 2.860 111.659 108.800 -0.002 0.000 2.234 463 G HA2 -0.288 3.661 3.960 -0.018 0.000 0.260 463 G HA3 -0.288 3.661 3.960 -0.018 0.000 0.260 463 G C 0.554 175.451 174.900 -0.005 0.000 0.987 463 G CA 0.427 45.524 45.100 -0.004 0.000 0.625 463 G HN 0.671 nan 8.290 nan 0.000 0.532 464 N N 0.069 118.769 118.700 -0.001 0.000 2.604 464 N HA 0.350 5.079 4.740 -0.018 0.000 0.284 464 N C 0.928 176.441 175.510 0.005 0.000 1.716 464 N CA 0.525 53.575 53.050 0.001 0.000 0.859 464 N CB 0.384 38.875 38.487 0.006 0.000 1.403 464 N HN 0.187 nan 8.380 nan 0.000 0.501 465 E N 0.087 120.289 120.200 0.002 0.000 2.171 465 E HA -0.078 4.261 4.350 -0.018 0.000 0.197 465 E C 1.077 177.681 176.600 0.006 0.000 0.997 465 E CA 1.274 57.676 56.400 0.004 0.000 0.810 465 E CB 0.106 29.807 29.700 0.002 0.000 0.738 465 E HN 0.383 nan 8.360 nan 0.000 0.467 466 R N -0.631 119.873 120.500 0.006 0.000 2.317 466 R HA 0.157 4.486 4.340 -0.018 0.000 0.208 466 R C 0.599 176.908 176.300 0.015 0.000 0.914 466 R CA 0.431 56.537 56.100 0.009 0.000 1.060 466 R CB 0.384 30.689 30.300 0.008 0.000 1.015 466 R HN 0.192 nan 8.270 nan 0.000 0.498 467 G N 2.341 111.152 108.800 0.017 0.000 2.366 467 G HA2 -0.343 3.606 3.960 -0.018 0.000 0.299 467 G HA3 -0.343 3.606 3.960 -0.018 0.000 0.299 467 G C 0.160 175.083 174.900 0.040 0.000 1.020 467 G CA 1.030 46.145 45.100 0.026 0.000 1.026 467 G HN 0.717 nan 8.290 nan 0.000 0.512 468 N N -1.245 117.481 118.700 0.043 0.000 2.257 468 N HA 0.502 5.231 4.740 -0.018 0.000 0.200 468 N C 1.201 176.768 175.510 0.095 0.000 1.163 468 N CA 0.439 53.529 53.050 0.067 0.000 0.891 468 N CB 0.449 38.962 38.487 0.043 0.000 1.067 468 N HN 0.794 nan 8.380 nan 0.000 0.497 469 A N 0.835 123.685 122.820 0.049 0.000 2.462 469 A HA 0.437 4.746 4.320 -0.018 0.000 0.243 469 A C -0.579 177.083 177.584 0.129 0.000 1.076 469 A CA -0.135 51.909 52.037 0.013 0.000 0.773 469 A CB -0.352 18.639 19.000 -0.015 0.000 1.010 469 A HN 0.497 nan 8.150 nan 0.000 0.493 470 F N 0.462 120.408 119.950 -0.008 0.000 2.619 470 F HA 0.793 5.310 4.527 -0.016 0.000 0.308 470 F C -0.277 175.517 175.800 -0.010 0.000 1.097 470 F CA -0.581 57.413 58.000 -0.009 0.000 0.953 470 F CB 0.986 39.980 39.000 -0.011 0.000 1.287 470 F HN 0.541 nan 8.300 nan 0.000 0.446 471 S N 1.461 117.302 115.700 0.236 0.000 2.998 471 S HA 0.860 5.319 4.470 -0.018 0.000 0.307 471 S C -1.304 173.395 174.600 0.165 0.000 1.063 471 S CA -0.824 57.443 58.200 0.111 0.000 0.895 471 S CB 1.395 64.620 63.200 0.042 0.000 1.362 471 S HN 1.088 nan 8.310 nan 0.000 0.657 472 R N 0.580 121.128 120.500 0.080 0.000 2.680 472 R HA 0.589 4.918 4.340 -0.018 0.000 0.269 472 R C -2.053 174.263 176.300 0.026 0.000 1.026 472 R CA -0.919 55.215 56.100 0.057 0.000 0.889 472 R CB 1.246 31.579 30.300 0.056 0.000 1.241 472 R HN 0.683 nan 8.270 nan 0.000 0.463 473 K N 1.844 122.250 120.400 0.010 0.000 2.469 473 K HA 0.577 4.886 4.320 -0.018 0.000 0.254 473 K C -1.155 175.442 176.600 -0.005 0.000 0.939 473 K CA -1.127 55.163 56.287 0.005 0.000 0.812 473 K CB 2.785 35.288 32.500 0.006 0.000 1.301 473 K HN 0.607 nan 8.250 nan 0.000 0.433 474 R N 1.165 121.667 120.500 0.003 0.000 2.480 474 R HA 0.359 4.688 4.340 -0.018 0.000 0.306 474 R C -1.114 175.198 176.300 0.020 0.000 0.958 474 R CA -0.834 55.270 56.100 0.006 0.000 0.861 474 R CB 2.488 32.795 30.300 0.013 0.000 1.171 474 R HN 0.653 nan 8.270 nan 0.000 0.445 475 T N 2.447 117.019 114.554 0.030 0.000 2.772 475 T HA 0.221 4.560 4.350 -0.018 0.000 0.288 475 T C -0.016 174.724 174.700 0.066 0.000 0.994 475 T CA -0.611 61.516 62.100 0.044 0.000 0.951 475 T CB 1.478 70.373 68.868 0.046 0.000 0.933 475 T HN 0.145 nan 8.240 nan 0.000 0.447 476 V N 5.328 125.278 119.914 0.060 0.000 2.508 476 V HA 0.189 4.299 4.120 -0.018 0.000 0.281 476 V C 0.402 176.541 176.094 0.075 0.000 1.041 476 V CA -0.460 61.882 62.300 0.070 0.000 1.016 476 V CB 0.273 32.131 31.823 0.058 0.000 0.984 476 V HN 0.727 nan 8.190 nan 0.000 0.478 477 L N 5.863 127.140 121.223 0.091 0.000 2.295 477 L HA 0.239 4.569 4.340 -0.018 0.000 0.288 477 L C 1.551 178.468 176.870 0.078 0.000 1.079 477 L CA -0.173 54.720 54.840 0.088 0.000 0.830 477 L CB 0.819 42.941 42.059 0.105 0.000 1.200 477 L HN 0.905 nan 8.230 nan 0.000 0.438 478 T N -0.457 114.136 114.554 0.066 0.000 2.939 478 T HA 0.128 4.467 4.350 -0.018 0.000 0.254 478 T C 1.000 175.737 174.700 0.062 0.000 1.041 478 T CA 0.167 62.303 62.100 0.061 0.000 1.142 478 T CB 0.263 69.161 68.868 0.050 0.000 0.874 478 T HN 0.295 nan 8.240 nan 0.000 0.452 479 R N 0.995 121.531 120.500 0.060 0.000 2.803 479 R HA 0.481 4.811 4.340 -0.018 0.000 0.276 479 R C 0.810 177.152 176.300 0.071 0.000 0.978 479 R CA -0.618 55.519 56.100 0.061 0.000 0.939 479 R CB 1.246 31.576 30.300 0.050 0.000 1.179 479 R HN 0.294 nan 8.270 nan 0.000 0.472 480 E N 0.508 120.757 120.200 0.082 0.000 2.219 480 E HA -0.191 4.149 4.350 -0.018 0.000 0.198 480 E C 1.281 177.931 176.600 0.084 0.000 0.998 480 E CA 1.932 58.392 56.400 0.101 0.000 0.818 480 E CB 0.162 29.932 29.700 0.117 0.000 0.741 480 E HN 0.630 nan 8.360 nan 0.000 0.477 481 S N 0.925 116.664 115.700 0.064 0.000 2.474 481 S HA -0.171 4.288 4.470 -0.018 0.000 0.235 481 S C 1.496 176.112 174.600 0.028 0.000 0.997 481 S CA 1.220 59.448 58.200 0.046 0.000 0.949 481 S CB -0.252 62.971 63.200 0.039 0.000 0.766 481 S HN 0.458 nan 8.310 nan 0.000 0.517 482 E N 0.118 120.338 120.200 0.033 0.000 2.624 482 E HA 0.566 4.905 4.350 -0.018 0.000 0.210 482 E C 0.724 177.337 176.600 0.023 0.000 0.997 482 E CA 0.095 56.508 56.400 0.022 0.000 0.999 482 E CB 0.470 30.190 29.700 0.033 0.000 1.040 482 E HN 0.460 nan 8.360 nan 0.000 0.469 483 A N 0.899 123.733 122.820 0.023 0.000 2.545 483 A HA 0.324 4.633 4.320 -0.018 0.000 0.277 483 A C 0.127 177.672 177.584 -0.065 0.000 1.301 483 A CA -0.256 51.795 52.037 0.023 0.000 0.935 483 A CB 0.370 19.419 19.000 0.083 0.000 1.093 483 A HN 0.122 nan 8.150 nan 0.000 0.519 484 V N 2.884 122.693 119.914 -0.175 0.000 2.294 484 V HA 0.395 4.505 4.120 -0.018 0.000 0.272 484 V C -0.413 175.458 176.094 -0.371 0.000 1.027 484 V CA -0.696 61.308 62.300 -0.493 0.000 0.823 484 V CB 0.467 31.888 31.823 -0.671 0.000 1.030 484 V HN 0.464 nan 8.190 nan 0.000 0.457 485 R N 3.431 123.722 120.500 -0.348 0.000 2.787 485 R HA 0.687 5.016 4.340 -0.018 0.000 0.271 485 R C -0.179 176.061 176.300 -0.100 0.000 0.993 485 R CA -0.745 55.280 56.100 -0.124 0.000 0.993 485 R CB 2.066 32.407 30.300 0.068 0.000 1.155 485 R HN 0.884 nan 8.270 nan 0.000 0.486 486 E N 0.185 120.437 120.200 0.086 0.000 2.263 486 E HA 0.723 5.062 4.350 -0.018 0.000 0.264 486 E C -0.813 175.989 176.600 0.335 0.000 0.923 486 E CA -1.154 55.325 56.400 0.132 0.000 0.802 486 E CB 1.620 31.356 29.700 0.060 0.000 1.228 486 E HN 0.541 nan 8.360 nan 0.000 0.417 487 A N 1.112 124.126 122.820 0.325 0.000 2.346 487 A HA 0.307 4.616 4.320 -0.018 0.000 0.252 487 A C -0.306 177.376 177.584 0.162 0.000 1.089 487 A CA -0.027 52.214 52.037 0.340 0.000 0.797 487 A CB 0.315 19.500 19.000 0.309 0.000 1.047 487 A HN 0.704 nan 8.150 nan 0.000 0.494 488 D N -0.360 120.088 120.400 0.081 0.000 2.634 488 D HA 0.390 5.019 4.640 -0.018 0.000 0.236 488 D C 0.574 176.872 176.300 -0.003 0.000 1.323 488 D CA 0.295 54.312 54.000 0.027 0.000 0.884 488 D CB 0.458 41.257 40.800 -0.002 0.000 1.496 488 D HN 0.481 nan 8.370 nan 0.000 0.525 489 A N 2.505 125.341 122.820 0.026 0.000 2.019 489 A HA -0.138 4.171 4.320 -0.018 0.000 0.219 489 A C 2.069 179.647 177.584 -0.011 0.000 1.164 489 A CA 1.362 53.409 52.037 0.017 0.000 0.644 489 A CB -0.183 18.843 19.000 0.043 0.000 0.805 489 A HN 0.463 nan 8.150 nan 0.000 0.449 490 R N 0.031 120.524 120.500 -0.011 0.000 2.091 490 R HA -0.127 4.202 4.340 -0.018 0.000 0.238 490 R C 1.686 177.959 176.300 -0.044 0.000 1.136 490 R CA 2.017 58.102 56.100 -0.025 0.000 0.959 490 R CB -0.402 29.889 30.300 -0.016 0.000 0.856 490 R HN 0.574 nan 8.270 nan 0.000 0.437 491 T N -3.093 111.433 114.554 -0.047 0.000 3.244 491 T HA 0.246 4.585 4.350 -0.018 0.000 0.254 491 T C 0.942 175.594 174.700 -0.080 0.000 1.024 491 T CA 0.142 62.205 62.100 -0.062 0.000 0.920 491 T CB 0.592 69.427 68.868 -0.055 0.000 1.042 491 T HN 0.411 nan 8.240 nan 0.000 0.572 492 G N 2.410 111.166 108.800 -0.073 0.000 2.296 492 G HA2 -0.370 3.579 3.960 -0.018 0.000 0.282 492 G HA3 -0.370 3.579 3.960 -0.018 0.000 0.282 492 G C 0.121 174.946 174.900 -0.125 0.000 1.014 492 G CA 0.296 45.351 45.100 -0.074 0.000 0.812 492 G HN 0.918 nan 8.290 nan 0.000 0.508 493 R N 0.633 121.021 120.500 -0.186 0.000 2.502 493 R HA 0.366 4.695 4.340 -0.018 0.000 0.292 493 R C 0.862 176.811 176.300 -0.586 0.000 0.998 493 R CA 1.157 57.030 56.100 -0.378 0.000 1.056 493 R CB 0.137 30.200 30.300 -0.395 0.000 0.939 493 R HN 0.475 nan 8.270 nan 0.000 0.411 494 T N 0.854 114.985 114.554 -0.704 0.000 2.804 494 T HA 0.541 4.880 4.350 -0.018 0.000 0.290 494 T C -1.017 173.166 174.700 -0.862 0.000 1.099 494 T CA -0.973 60.715 62.100 -0.685 0.000 1.011 494 T CB 1.257 69.929 68.868 -0.326 0.000 1.291 494 T HN 0.568 nan 8.240 nan 0.000 0.523 495 W N 0.547 121.798 121.300 -0.081 0.000 2.839 495 W HA 0.603 5.253 4.660 -0.018 0.000 0.334 495 W C -1.148 175.346 176.519 -0.041 0.000 1.064 495 W CA -1.162 56.157 57.345 -0.044 0.000 1.236 495 W CB 1.648 31.088 29.460 -0.034 0.000 1.405 495 W HN 0.584 nan 8.180 nan 0.000 0.478 496 I N 4.215 124.880 120.570 0.158 0.000 2.377 496 I HA 0.318 4.477 4.170 -0.018 0.000 0.293 496 I C -0.380 175.824 176.117 0.144 0.000 0.987 496 I CA -0.977 60.392 61.300 0.116 0.000 1.185 496 I CB 1.458 39.499 38.000 0.068 0.000 1.341 496 I HN 0.086 nan 8.210 nan 0.000 0.455 497 I N 5.981 126.639 120.570 0.148 0.000 2.328 497 I HA 0.269 4.428 4.170 -0.018 0.000 0.287 497 I C 0.248 176.450 176.117 0.143 0.000 1.012 497 I CA 0.191 61.573 61.300 0.137 0.000 1.195 497 I CB 1.248 39.321 38.000 0.122 0.000 1.350 497 I HN 0.553 nan 8.210 nan 0.000 0.464 498 S N 3.856 119.628 115.700 0.120 0.000 2.689 498 S HA 0.583 5.043 4.470 -0.018 0.000 0.306 498 S C -0.550 174.107 174.600 0.096 0.000 1.104 498 S CA -0.907 57.363 58.200 0.116 0.000 0.973 498 S CB 1.938 65.191 63.200 0.088 0.000 1.121 498 S HN 0.505 nan 8.310 nan 0.000 0.523 499 N N 1.902 120.650 118.700 0.081 0.000 2.621 499 N HA 0.354 5.083 4.740 -0.018 0.000 0.237 499 N C -1.887 173.643 175.510 0.033 0.000 0.997 499 N CA -2.386 50.697 53.050 0.054 0.000 0.918 499 N CB 1.364 39.874 38.487 0.038 0.000 1.122 499 N HN 0.377 nan 8.380 nan 0.000 0.510 500 P HA -0.098 nan 4.420 nan 0.000 0.226 500 P C 0.005 177.313 177.300 0.014 0.000 1.146 500 P CA 1.226 64.343 63.100 0.027 0.000 0.773 500 P CB 0.512 32.233 31.700 0.035 0.000 0.772 501 E N -1.058 119.149 120.200 0.011 0.000 2.501 501 E HA 0.150 4.490 4.350 -0.018 0.000 0.201 501 E C 0.126 176.716 176.600 -0.016 0.000 1.016 501 E CA -0.104 56.296 56.400 0.001 0.000 0.920 501 E CB 0.459 30.165 29.700 0.009 0.000 1.023 501 E HN -0.017 nan 8.360 nan 0.000 0.474 502 S N 1.610 117.293 115.700 -0.028 0.000 2.733 502 S HA 0.238 4.698 4.470 -0.018 0.000 0.307 502 S C -0.938 173.616 174.600 -0.077 0.000 1.127 502 S CA -0.868 57.295 58.200 -0.063 0.000 1.097 502 S CB 0.216 63.365 63.200 -0.085 0.000 1.003 502 S HN -0.087 nan 8.310 nan 0.000 0.477 503 K N 3.135 123.490 120.400 -0.074 0.000 2.118 503 K HA 0.426 4.735 4.320 -0.018 0.000 0.254 503 K C 0.120 176.661 176.600 -0.097 0.000 0.961 503 K CA -0.890 55.354 56.287 -0.071 0.000 0.876 503 K CB 0.661 33.135 32.500 -0.045 0.000 1.077 503 K HN 0.755 nan 8.250 nan 0.000 0.440 504 N N 0.219 118.863 118.700 -0.094 0.000 2.364 504 N HA 0.060 4.789 4.740 -0.018 0.000 0.264 504 N C 0.876 176.351 175.510 -0.058 0.000 1.263 504 N CA -0.491 52.501 53.050 -0.096 0.000 0.959 504 N CB 0.396 38.834 38.487 -0.082 0.000 1.204 504 N HN 0.565 nan 8.380 nan 0.000 0.550 505 R N -0.512 119.961 120.500 -0.044 0.000 2.200 505 R HA -0.051 4.278 4.340 -0.018 0.000 0.234 505 R C 0.684 176.970 176.300 -0.023 0.000 1.127 505 R CA 1.245 57.327 56.100 -0.030 0.000 0.989 505 R CB -0.841 29.447 30.300 -0.020 0.000 0.869 505 R HN 0.575 nan 8.270 nan 0.000 0.459 506 L N 1.599 122.808 121.223 -0.022 0.000 2.645 506 L HA 0.108 4.437 4.340 -0.018 0.000 0.234 506 L C 0.381 177.241 176.870 -0.018 0.000 1.165 506 L CA 0.069 54.898 54.840 -0.017 0.000 0.944 506 L CB -0.884 41.167 42.059 -0.014 0.000 1.149 506 L HN 0.472 nan 8.230 nan 0.000 0.446 507 N N 1.400 120.086 118.700 -0.022 0.000 2.754 507 N HA -0.164 4.565 4.740 -0.018 0.000 0.248 507 N C -0.465 175.034 175.510 -0.018 0.000 1.093 507 N CA 0.244 53.282 53.050 -0.020 0.000 0.699 507 N CB -0.054 38.424 38.487 -0.015 0.000 1.016 507 N HN 0.365 nan 8.380 nan 0.000 0.552 508 E N 0.334 120.522 120.200 -0.021 0.000 2.187 508 E HA 0.406 4.745 4.350 -0.018 0.000 0.268 508 E C -2.508 174.080 176.600 -0.020 0.000 0.896 508 E CA -1.765 54.627 56.400 -0.014 0.000 0.766 508 E CB 1.648 31.343 29.700 -0.010 0.000 1.142 508 E HN 0.152 nan 8.360 nan 0.000 0.408 509 P HA -0.076 nan 4.420 nan 0.000 0.261 509 P C 0.106 177.405 177.300 -0.002 0.000 1.183 509 P CA 0.009 63.105 63.100 -0.006 0.000 0.761 509 P CB 0.325 32.035 31.700 0.016 0.000 0.785 510 V N 2.104 121.998 119.914 -0.033 0.000 3.139 510 V HA 0.654 4.763 4.120 -0.018 0.000 0.307 510 V C 0.616 176.793 176.094 0.138 0.000 1.095 510 V CA 0.424 62.712 62.300 -0.020 0.000 1.160 510 V CB 0.057 31.735 31.823 -0.241 0.000 1.003 510 V HN 0.750 nan 8.190 nan 0.000 0.489 511 G N 1.657 110.611 108.800 0.257 0.000 2.559 511 G HA2 0.583 4.532 3.960 -0.018 0.000 0.291 511 G HA3 0.583 4.532 3.960 -0.018 0.000 0.291 511 G C -2.302 172.751 174.900 0.254 0.000 1.424 511 G CA -0.735 44.517 45.100 0.253 0.000 0.786 511 G HN 0.824 nan 8.290 nan 0.000 0.485 512 Y N -0.101 120.228 120.300 0.049 0.000 2.457 512 Y HA 0.616 5.155 4.550 -0.017 0.000 0.343 512 Y C 0.041 175.956 175.900 0.025 0.000 0.994 512 Y CA -0.793 57.310 58.100 0.006 0.000 1.031 512 Y CB 2.785 41.213 38.460 -0.053 0.000 1.246 512 Y HN 0.535 nan 8.280 nan 0.000 0.449 513 K N 3.913 124.355 120.400 0.070 0.000 2.206 513 K HA 0.557 4.866 4.320 -0.018 0.000 0.264 513 K C -1.670 174.870 176.600 -0.101 0.000 0.967 513 K CA -0.857 55.407 56.287 -0.039 0.000 0.844 513 K CB 1.053 33.475 32.500 -0.130 0.000 1.099 513 K HN 0.626 nan 8.250 nan 0.000 0.441 514 L N 4.911 126.092 121.223 -0.071 0.000 2.265 514 L HA 0.297 4.626 4.340 -0.018 0.000 0.288 514 L C -1.353 175.426 176.870 -0.151 0.000 1.058 514 L CA 0.059 54.899 54.840 -0.000 0.000 0.809 514 L CB 0.588 42.708 42.059 0.103 0.000 1.179 514 L HN 0.671 nan 8.230 nan 0.000 0.429 515 H N 4.653 123.840 119.070 0.195 0.000 2.623 515 H HA 0.690 5.235 4.556 -0.018 0.000 0.299 515 H C -0.085 175.389 175.328 0.243 0.000 1.052 515 H CA -0.144 56.010 56.048 0.175 0.000 1.231 515 H CB 1.204 31.053 29.762 0.145 0.000 1.389 515 H HN 0.870 nan 8.280 nan 0.000 0.469 516 A N 2.196 125.212 122.820 0.327 0.000 2.293 516 A HA 0.194 4.503 4.320 -0.018 0.000 0.302 516 A C 0.420 178.292 177.584 0.481 0.000 1.119 516 A CA -0.599 51.675 52.037 0.394 0.000 0.823 516 A CB 0.451 19.713 19.000 0.436 0.000 1.097 516 A HN 1.007 nan 8.150 nan 0.000 0.491 517 H N 1.096 120.341 119.070 0.292 0.000 2.547 517 H HA -0.025 4.520 4.556 -0.018 0.000 0.272 517 H C -0.071 175.374 175.328 0.194 0.000 0.989 517 H CA 0.329 56.500 56.048 0.205 0.000 1.214 517 H CB 0.135 30.006 29.762 0.182 0.000 1.389 517 H HN 0.774 nan 8.280 nan 0.000 0.577 518 N N 1.955 120.878 118.700 0.370 0.000 2.735 518 N HA -0.166 4.563 4.740 -0.018 0.000 0.248 518 N C -0.548 175.093 175.510 0.218 0.000 1.083 518 N CA 0.552 53.768 53.050 0.278 0.000 0.703 518 N CB -0.834 37.776 38.487 0.205 0.000 1.005 518 N HN 0.520 nan 8.380 nan 0.000 0.550 519 Q N -0.052 119.891 119.800 0.237 0.000 2.443 519 Q HA 0.334 4.664 4.340 -0.018 0.000 0.232 519 Q C -1.799 174.279 176.000 0.129 0.000 1.026 519 Q CA -1.001 54.905 55.803 0.172 0.000 0.924 519 Q CB 0.100 28.947 28.738 0.181 0.000 1.256 519 Q HN 0.145 nan 8.270 nan 0.000 0.519 520 P HA -0.003 nan 4.420 nan 0.000 0.269 520 P C -0.165 177.154 177.300 0.032 0.000 1.209 520 P CA 0.214 63.349 63.100 0.058 0.000 0.776 520 P CB 0.473 32.198 31.700 0.041 0.000 0.876 521 T N 0.087 114.655 114.554 0.022 0.000 2.924 521 T HA 0.309 4.648 4.350 -0.018 0.000 0.301 521 T C 0.273 174.938 174.700 -0.059 0.000 1.120 521 T CA -0.859 61.232 62.100 -0.014 0.000 0.940 521 T CB -0.018 68.853 68.868 0.005 0.000 1.591 521 T HN 0.179 nan 8.240 nan 0.000 0.578 522 L N 1.218 122.381 121.223 -0.101 0.000 2.628 522 L HA 0.155 4.484 4.340 -0.018 0.000 0.274 522 L C 0.914 177.744 176.870 -0.067 0.000 1.209 522 L CA 0.210 54.977 54.840 -0.121 0.000 0.930 522 L CB -0.576 41.383 42.059 -0.167 0.000 1.183 522 L HN 0.641 nan 8.230 nan 0.000 0.492 523 L N 4.981 126.169 121.223 -0.059 0.000 2.270 523 L HA 0.145 4.474 4.340 -0.018 0.000 0.210 523 L C 1.525 178.393 176.870 -0.004 0.000 1.104 523 L CA 0.339 55.167 54.840 -0.019 0.000 0.804 523 L CB -0.583 41.470 42.059 -0.009 0.000 0.937 523 L HN 0.853 nan 8.230 nan 0.000 0.450 524 A N 0.781 123.592 122.820 -0.014 0.000 2.583 524 A HA -0.142 4.167 4.320 -0.018 0.000 0.231 524 A C 0.357 177.949 177.584 0.013 0.000 1.065 524 A CA 0.028 52.070 52.037 0.008 0.000 0.760 524 A CB -0.116 18.889 19.000 0.008 0.000 1.001 524 A HN 0.315 nan 8.150 nan 0.000 0.509 525 D N 2.151 122.567 120.400 0.026 0.000 2.472 525 D HA 0.031 4.660 4.640 -0.018 0.000 0.237 525 D C -1.170 175.140 176.300 0.017 0.000 1.141 525 D CA -0.838 53.176 54.000 0.024 0.000 0.875 525 D CB 0.855 41.674 40.800 0.032 0.000 1.192 525 D HN 0.293 nan 8.370 nan 0.000 0.450 526 P HA -0.069 nan 4.420 nan 0.000 0.225 526 P C 0.970 178.273 177.300 0.005 0.000 1.148 526 P CA 0.706 63.809 63.100 0.006 0.000 0.779 526 P CB 0.125 31.828 31.700 0.006 0.000 0.780 527 G N -0.068 108.738 108.800 0.010 0.000 3.141 527 G HA2 0.061 4.011 3.960 -0.018 0.000 0.218 527 G HA3 0.061 4.011 3.960 -0.018 0.000 0.218 527 G C 0.608 175.514 174.900 0.010 0.000 1.170 527 G CA 0.058 45.161 45.100 0.006 0.000 0.769 527 G HN 0.424 nan 8.290 nan 0.000 0.546 528 S N -0.763 114.949 115.700 0.021 0.000 2.645 528 S HA 0.375 4.834 4.470 -0.018 0.000 0.266 528 S C 1.569 176.174 174.600 0.009 0.000 1.258 528 S CA 0.384 58.609 58.200 0.040 0.000 0.990 528 S CB 1.662 64.902 63.200 0.068 0.000 0.967 528 S HN 0.066 nan 8.310 nan 0.000 0.556 529 S N 0.149 115.852 115.700 0.006 0.000 2.368 529 S HA -0.127 4.332 4.470 -0.018 0.000 0.224 529 S C 1.698 176.267 174.600 -0.051 0.000 1.029 529 S CA 1.067 59.198 58.200 -0.114 0.000 0.988 529 S CB -0.811 62.163 63.200 -0.377 0.000 0.838 529 S HN 0.668 nan 8.310 nan 0.000 0.462 530 I N 2.185 122.785 120.570 0.050 0.000 2.226 530 I HA 0.007 4.166 4.170 -0.018 0.000 0.245 530 I C 2.442 178.585 176.117 0.044 0.000 1.100 530 I CA 1.320 62.680 61.300 0.099 0.000 1.374 530 I CB -1.086 36.990 38.000 0.127 0.000 1.057 530 I HN 0.335 nan 8.210 nan 0.000 0.413 531 A N 0.462 123.288 122.820 0.010 0.000 1.908 531 A HA -0.244 4.065 4.320 -0.018 0.000 0.218 531 A C 2.480 180.053 177.584 -0.019 0.000 1.181 531 A CA 1.936 53.962 52.037 -0.017 0.000 0.627 531 A CB -0.650 18.345 19.000 -0.009 0.000 0.818 531 A HN 0.477 nan 8.150 nan 0.000 0.445 532 R N -1.044 119.441 120.500 -0.025 0.000 2.073 532 R HA 0.000 4.330 4.340 -0.018 0.000 0.229 532 R C 2.359 178.630 176.300 -0.050 0.000 1.120 532 R CA 1.268 57.339 56.100 -0.048 0.000 0.967 532 R CB -0.235 30.017 30.300 -0.080 0.000 0.862 532 R HN 0.472 nan 8.270 nan 0.000 0.436 533 R N 0.042 120.529 120.500 -0.021 0.000 2.193 533 R HA 0.068 4.397 4.340 -0.018 0.000 0.213 533 R C 0.887 177.321 176.300 0.224 0.000 1.055 533 R CA 1.000 57.105 56.100 0.007 0.000 0.995 533 R CB 0.312 30.597 30.300 -0.026 0.000 0.893 533 R HN 0.062 nan 8.270 nan 0.000 0.459 534 A N 0.079 123.024 122.820 0.208 0.000 2.855 534 A HA 0.495 4.804 4.320 -0.018 0.000 0.301 534 A C 1.177 178.652 177.584 -0.181 0.000 1.076 534 A CA -0.056 52.053 52.037 0.121 0.000 1.004 534 A CB 0.314 19.270 19.000 -0.074 0.000 1.152 534 A HN 0.218 nan 8.150 nan 0.000 0.531 535 A N 0.437 123.235 122.820 -0.036 0.000 1.948 535 A HA -0.098 4.212 4.320 -0.018 0.000 0.220 535 A C 1.839 179.422 177.584 -0.002 0.000 1.177 535 A CA 1.947 53.970 52.037 -0.024 0.000 0.636 535 A CB -1.019 17.979 19.000 -0.004 0.000 0.815 535 A HN 1.425 nan 8.150 nan 0.000 0.449 536 F N 0.020 119.860 119.950 -0.183 0.000 2.154 536 F HA -0.067 4.449 4.527 -0.018 0.000 0.301 536 F C 2.061 177.958 175.800 0.160 0.000 1.087 536 F CA 0.995 58.814 58.000 -0.301 0.000 1.274 536 F CB -0.997 37.702 39.000 -0.502 0.000 1.009 536 F HN 0.158 nan 8.300 nan 0.000 0.485 537 A N 0.350 122.523 122.820 -1.077 0.000 2.239 537 A HA -0.026 4.283 4.320 -0.018 0.000 0.209 537 A C 2.103 179.547 177.584 -0.233 0.000 1.171 537 A CA 1.376 52.955 52.037 -0.763 0.000 0.768 537 A CB -1.515 16.847 19.000 -1.062 0.000 0.790 537 A HN 0.617 nan 8.150 nan 0.000 0.478 538 T N -3.655 110.863 114.554 -0.060 0.000 3.100 538 T HA 0.198 4.537 4.350 -0.018 0.000 0.253 538 T C 0.595 175.316 174.700 0.035 0.000 1.118 538 T CA 0.196 62.298 62.100 0.002 0.000 1.058 538 T CB 0.077 68.963 68.868 0.029 0.000 0.953 538 T HN 0.121 nan 8.240 nan 0.000 0.515 539 K N 0.847 121.313 120.400 0.109 0.000 2.469 539 K HA 0.369 4.678 4.320 -0.018 0.000 0.254 539 K C -0.516 176.118 176.600 0.056 0.000 0.939 539 K CA -0.460 55.798 56.287 -0.048 0.000 0.812 539 K CB 2.222 34.438 32.500 -0.474 0.000 1.301 539 K HN -0.054 nan 8.250 nan 0.000 0.433 540 D N 0.343 120.743 120.400 0.000 0.000 2.149 540 D HA -0.048 4.581 4.640 -0.018 0.000 0.201 540 D C -0.003 176.325 176.300 0.046 0.000 0.972 540 D CA 0.942 54.996 54.000 0.090 0.000 0.835 540 D CB 0.279 41.180 40.800 0.169 0.000 0.966 540 D HN 0.092 nan 8.370 nan 0.000 0.476 541 L N -0.285 120.780 121.223 -0.265 0.000 2.436 541 L HA 0.461 4.791 4.340 -0.018 0.000 0.268 541 L C -1.966 174.730 176.870 -0.291 0.000 0.974 541 L CA -0.583 54.065 54.840 -0.321 0.000 0.826 541 L CB 1.493 42.930 42.059 -1.035 0.000 1.291 541 L HN -0.095 nan 8.230 nan 0.000 0.406 542 W N 4.287 125.582 121.300 -0.008 0.000 2.883 542 W HA 0.745 5.395 4.660 -0.018 0.000 0.335 542 W C -1.215 175.429 176.519 0.207 0.000 1.083 542 W CA -0.834 56.546 57.345 0.058 0.000 1.233 542 W CB 1.942 31.402 29.460 0.000 0.000 1.412 542 W HN 0.156 nan 8.180 nan 0.000 0.490 543 V N 2.758 122.894 119.914 0.371 0.000 2.487 543 V HA 0.759 4.868 4.120 -0.018 0.000 0.298 543 V C -0.043 176.258 176.094 0.345 0.000 1.028 543 V CA -0.814 61.688 62.300 0.336 0.000 0.860 543 V CB 1.388 33.321 31.823 0.183 0.000 0.991 543 V HN 0.587 nan 8.190 nan 0.000 0.427 544 T N 1.414 116.214 114.554 0.409 0.000 2.916 544 T HA 0.736 5.075 4.350 -0.018 0.000 0.292 544 T C -0.496 174.341 174.700 0.229 0.000 1.055 544 T CA -0.978 61.320 62.100 0.330 0.000 1.009 544 T CB 2.124 71.259 68.868 0.444 0.000 1.118 544 T HN 0.527 nan 8.240 nan 0.000 0.497 545 R N 1.028 121.620 120.500 0.154 0.000 2.340 545 R HA 0.318 4.647 4.340 -0.018 0.000 0.300 545 R C -0.798 175.552 176.300 0.083 0.000 1.069 545 R CA -0.905 55.263 56.100 0.114 0.000 0.984 545 R CB -0.614 29.730 30.300 0.074 0.000 1.003 545 R HN 0.781 nan 8.270 nan 0.000 0.459 546 Y N 3.229 123.525 120.300 -0.006 0.000 2.712 546 Y HA 0.270 4.809 4.550 -0.018 0.000 0.333 546 Y C -0.732 175.114 175.900 -0.090 0.000 1.225 546 Y CA 0.942 59.006 58.100 -0.060 0.000 1.499 546 Y CB 0.432 38.827 38.460 -0.109 0.000 1.288 546 Y HN 0.751 nan 8.280 nan 0.000 0.575 547 A N 4.752 126.845 122.820 -1.211 0.000 2.488 547 A HA 0.298 4.607 4.320 -0.018 0.000 0.298 547 A C -0.055 176.864 177.584 -1.110 0.000 1.044 547 A CA -0.318 51.162 52.037 -0.928 0.000 0.693 547 A CB 0.680 19.377 19.000 -0.506 0.000 1.272 547 A HN 0.817 nan 8.150 nan 0.000 0.402 548 D N 1.161 121.131 120.400 -0.717 0.000 2.310 548 D HA -0.135 4.494 4.640 -0.018 0.000 0.212 548 D C 0.519 176.648 176.300 -0.284 0.000 0.965 548 D CA 1.449 55.224 54.000 -0.375 0.000 0.879 548 D CB 0.064 40.808 40.800 -0.092 0.000 0.921 548 D HN 0.539 nan 8.370 nan 0.000 0.510 549 D N -0.050 120.165 120.400 -0.308 0.000 2.369 549 D HA -0.035 4.594 4.640 -0.018 0.000 0.211 549 D C -0.245 175.863 176.300 -0.320 0.000 1.077 549 D CA -0.170 53.689 54.000 -0.235 0.000 0.842 549 D CB -0.490 40.218 40.800 -0.153 0.000 0.947 549 D HN 0.252 nan 8.370 nan 0.000 0.509 550 E N 0.852 120.769 120.200 -0.473 0.000 2.103 550 E HA 0.354 4.693 4.350 -0.018 0.000 0.254 550 E C 0.331 176.771 176.600 -0.267 0.000 0.940 550 E CA -0.280 55.743 56.400 -0.630 0.000 0.771 550 E CB 1.152 30.235 29.700 -1.029 0.000 1.153 550 E HN 0.159 nan 8.360 nan 0.000 0.428 551 R N 1.179 121.514 120.500 -0.276 0.000 2.287 551 R HA 0.154 4.484 4.340 -0.018 0.000 0.197 551 R C -0.171 175.828 176.300 -0.502 0.000 0.900 551 R CA 0.306 56.091 56.100 -0.525 0.000 1.052 551 R CB 0.568 30.244 30.300 -1.040 0.000 1.117 551 R HN 0.273 nan 8.270 nan 0.000 0.568 552 Y N 0.548 121.006 120.300 0.263 0.000 2.477 552 Y HA 0.321 4.860 4.550 -0.018 0.000 0.347 552 Y C -1.871 174.040 175.900 0.019 0.000 0.981 552 Y CA -3.210 54.990 58.100 0.167 0.000 1.033 552 Y CB 1.442 39.889 38.460 -0.022 0.000 1.245 552 Y HN -0.212 nan 8.280 nan 0.000 0.455 553 P HA -0.091 nan 4.420 nan 0.000 0.226 553 P C 0.692 177.737 177.300 -0.426 0.000 1.153 553 P CA 1.511 64.258 63.100 -0.588 0.000 0.777 553 P CB 0.183 31.428 31.700 -0.759 0.000 0.794 554 T N -4.999 109.433 114.554 -0.204 0.000 3.054 554 T HA 0.494 4.833 4.350 -0.018 0.000 0.255 554 T C 0.946 175.605 174.700 -0.068 0.000 1.035 554 T CA 0.179 62.222 62.100 -0.094 0.000 0.941 554 T CB -0.009 68.861 68.868 0.004 0.000 1.026 554 T HN 0.340 nan 8.240 nan 0.000 0.533 555 G N 1.382 110.181 108.800 -0.001 0.000 2.710 555 G HA2 -0.147 3.802 3.960 -0.018 0.000 0.668 555 G HA3 -0.147 3.802 3.960 -0.018 0.000 0.668 555 G C -0.263 174.650 174.900 0.021 0.000 1.320 555 G CA -0.143 44.982 45.100 0.041 0.000 0.860 555 G HN 0.115 nan 8.290 nan 0.000 0.538 556 D N -0.551 119.755 120.400 -0.157 0.000 2.144 556 D HA 0.049 4.678 4.640 -0.018 0.000 0.200 556 D C 0.929 176.681 176.300 -0.913 0.000 0.978 556 D CA 1.580 55.247 54.000 -0.555 0.000 0.833 556 D CB -0.080 40.078 40.800 -1.069 0.000 0.961 556 D HN 0.244 nan 8.370 nan 0.000 0.470 557 F N -0.031 119.796 119.950 -0.205 0.000 2.430 557 F HA 0.240 4.757 4.527 -0.018 0.000 0.362 557 F C 1.016 176.673 175.800 -0.238 0.000 1.103 557 F CA -0.682 57.152 58.000 -0.277 0.000 1.045 557 F CB 1.461 40.218 39.000 -0.405 0.000 1.276 557 F HN -0.362 nan 8.300 nan 0.000 0.444 558 V N 0.116 119.980 119.914 -0.082 0.000 2.685 558 V HA -0.075 4.035 4.120 -0.018 0.000 0.244 558 V C 1.105 177.103 176.094 -0.160 0.000 1.054 558 V CA 0.297 62.500 62.300 -0.161 0.000 1.076 558 V CB -0.477 31.167 31.823 -0.298 0.000 0.725 558 V HN 0.676 nan 8.190 nan 0.000 0.467 559 N N 1.789 120.432 118.700 -0.095 0.000 2.374 559 N HA -0.087 4.642 4.740 -0.018 0.000 0.269 559 N C 0.467 175.937 175.510 -0.067 0.000 1.310 559 N CA 0.748 53.747 53.050 -0.085 0.000 0.877 559 N CB -0.305 38.137 38.487 -0.074 0.000 1.096 559 N HN 0.475 nan 8.380 nan 0.000 0.484 560 Q N 0.432 120.185 119.800 -0.079 0.000 2.434 560 Q HA -0.305 4.024 4.340 -0.018 0.000 0.299 560 Q C -0.787 175.196 176.000 -0.028 0.000 1.286 560 Q CA 0.903 56.665 55.803 -0.068 0.000 0.872 560 Q CB -1.599 27.099 28.738 -0.065 0.000 1.193 560 Q HN 0.679 nan 8.270 nan 0.000 0.466 561 H N -0.230 118.735 119.070 -0.175 0.000 2.489 561 H HA 0.417 4.963 4.556 -0.018 0.000 0.343 561 H C 0.386 175.609 175.328 -0.176 0.000 1.086 561 H CA -0.002 55.953 56.048 -0.156 0.000 1.198 561 H CB 1.123 30.806 29.762 -0.131 0.000 1.490 561 H HN 0.319 nan 8.280 nan 0.000 0.504 562 S N 3.017 118.350 115.700 -0.613 0.000 2.625 562 S HA 0.286 4.746 4.470 -0.018 0.000 0.258 562 S C 0.905 175.117 174.600 -0.645 0.000 1.256 562 S CA -0.287 57.602 58.200 -0.520 0.000 0.983 562 S CB 0.588 63.578 63.200 -0.349 0.000 1.032 562 S HN 0.712 nan 8.310 nan 0.000 0.572 563 G N -1.896 106.681 108.800 -0.371 0.000 2.599 563 G HA2 0.496 4.445 3.960 -0.018 0.000 0.264 563 G HA3 0.496 4.445 3.960 -0.018 0.000 0.264 563 G C 0.800 175.545 174.900 -0.259 0.000 1.200 563 G CA -0.338 44.596 45.100 -0.277 0.000 0.896 563 G HN 1.883 nan 8.290 nan 0.000 0.536 564 G N -1.745 106.955 108.800 -0.167 0.000 2.551 564 G HA2 0.358 4.307 3.960 -0.018 0.000 0.186 564 G HA3 0.358 4.307 3.960 -0.018 0.000 0.186 564 G C 0.352 175.222 174.900 -0.049 0.000 1.002 564 G CA 0.696 45.741 45.100 -0.092 0.000 0.723 564 G HN 1.714 nan 8.290 nan 0.000 0.481 565 A N -0.406 122.387 122.820 -0.046 0.000 2.468 565 A HA 1.079 5.388 4.320 -0.018 0.000 0.270 565 A C 1.420 178.817 177.584 -0.311 0.000 1.217 565 A CA 0.917 52.911 52.037 -0.071 0.000 0.908 565 A CB 0.557 19.622 19.000 0.110 0.000 1.423 565 A HN 2.229 nan 8.150 nan 0.000 0.459 566 G N -1.692 106.789 108.800 -0.531 0.000 2.645 566 G HA2 -0.148 3.801 3.960 -0.018 0.000 0.246 566 G HA3 -0.148 3.801 3.960 -0.018 0.000 0.246 566 G C 0.769 174.774 174.900 -1.492 0.000 1.322 566 G CA 0.155 44.692 45.100 -0.940 0.000 0.898 566 G HN 1.270 nan 8.290 nan 0.000 0.573 567 L N 0.945 121.443 121.223 -1.208 0.000 2.010 567 L HA -0.153 4.176 4.340 -0.018 0.000 0.219 567 L C 0.322 176.828 176.870 -0.607 0.000 1.077 567 L CA 2.786 56.997 54.840 -1.049 0.000 0.773 567 L CB -1.276 39.917 42.059 -1.442 0.000 0.892 567 L HN 0.462 nan 8.230 nan 0.000 0.436 568 P HA -0.159 nan 4.420 nan 0.000 0.219 568 P C 1.785 179.007 177.300 -0.130 0.000 1.146 568 P CA 1.533 64.551 63.100 -0.135 0.000 0.808 568 P CB 0.082 31.726 31.700 -0.094 0.000 0.779 569 S N -1.900 113.642 115.700 -0.264 0.000 2.362 569 S HA -0.128 4.331 4.470 -0.018 0.000 0.221 569 S C 1.801 176.397 174.600 -0.007 0.000 1.032 569 S CA 0.708 58.820 58.200 -0.147 0.000 0.973 569 S CB -0.956 62.129 63.200 -0.191 0.000 0.849 569 S HN -0.051 nan 8.310 nan 0.000 0.465 570 Y N 2.151 122.393 120.300 -0.096 0.000 2.128 570 Y HA -0.031 4.508 4.550 -0.018 0.000 0.284 570 Y C 2.465 178.350 175.900 -0.025 0.000 1.154 570 Y CA 0.009 58.062 58.100 -0.078 0.000 1.149 570 Y CB -1.204 37.175 38.460 -0.135 0.000 0.976 570 Y HN 0.226 nan 8.280 nan 0.000 0.505 571 I N 0.310 120.966 120.570 0.144 0.000 2.194 571 I HA -0.328 3.832 4.170 -0.018 0.000 0.246 571 I C 2.511 178.689 176.117 0.101 0.000 1.093 571 I CA 1.605 62.989 61.300 0.141 0.000 1.355 571 I CB -1.690 36.421 38.000 0.186 0.000 1.046 571 I HN 0.183 nan 8.210 nan 0.000 0.413 572 A N -0.085 122.780 122.820 0.075 0.000 2.139 572 A HA -0.246 4.063 4.320 -0.018 0.000 0.221 572 A C 2.149 179.766 177.584 0.054 0.000 1.159 572 A CA 1.356 53.425 52.037 0.055 0.000 0.662 572 A CB -0.673 18.349 19.000 0.036 0.000 0.796 572 A HN 0.575 nan 8.150 nan 0.000 0.463 573 Q N -1.405 118.434 119.800 0.065 0.000 2.364 573 Q HA -0.124 4.206 4.340 -0.018 0.000 0.207 573 Q C 0.227 176.257 176.000 0.050 0.000 0.970 573 Q CA 0.542 56.377 55.803 0.053 0.000 0.888 573 Q CB -0.076 28.694 28.738 0.054 0.000 0.951 573 Q HN 0.620 nan 8.270 nan 0.000 0.469 574 D N 0.723 121.159 120.400 0.060 0.000 2.701 574 D HA -0.182 4.447 4.640 -0.018 0.000 0.235 574 D C -0.854 175.478 176.300 0.053 0.000 1.155 574 D CA 0.641 54.675 54.000 0.057 0.000 0.649 574 D CB -0.552 40.275 40.800 0.045 0.000 1.050 574 D HN 0.233 nan 8.370 nan 0.000 0.425 575 R N 0.251 120.787 120.500 0.059 0.000 2.707 575 R HA 0.279 4.608 4.340 -0.018 0.000 0.270 575 R C 0.297 176.633 176.300 0.060 0.000 1.083 575 R CA -0.466 55.666 56.100 0.054 0.000 1.182 575 R CB 0.347 30.678 30.300 0.052 0.000 1.084 575 R HN 0.139 nan 8.270 nan 0.000 0.528 576 D N 1.685 122.118 120.400 0.054 0.000 2.343 576 D HA 0.049 4.678 4.640 -0.018 0.000 0.255 576 D C 0.497 176.838 176.300 0.069 0.000 1.187 576 D CA -0.089 53.945 54.000 0.057 0.000 0.875 576 D CB 0.569 41.398 40.800 0.048 0.000 1.136 576 D HN 0.532 nan 8.370 nan 0.000 0.469 577 I N -0.092 120.524 120.570 0.077 0.000 4.081 577 I HA 0.336 4.496 4.170 -0.018 0.000 0.333 577 I C 0.250 176.419 176.117 0.085 0.000 1.413 577 I CA -0.480 60.874 61.300 0.090 0.000 1.110 577 I CB 0.459 38.523 38.000 0.106 0.000 1.082 577 I HN 0.072 nan 8.210 nan 0.000 0.402 578 D N 2.985 123.429 120.400 0.073 0.000 2.468 578 D HA 0.351 4.980 4.640 -0.018 0.000 0.218 578 D C 1.078 177.416 176.300 0.064 0.000 1.155 578 D CA 0.500 54.541 54.000 0.067 0.000 0.924 578 D CB 0.371 41.206 40.800 0.058 0.000 1.029 578 D HN 0.543 nan 8.370 nan 0.000 0.515 579 G N 3.137 111.979 108.800 0.070 0.000 2.303 579 G HA2 -0.179 3.770 3.960 -0.018 0.000 0.260 579 G HA3 -0.179 3.770 3.960 -0.018 0.000 0.260 579 G C -0.083 174.861 174.900 0.074 0.000 1.106 579 G CA -0.324 44.816 45.100 0.067 0.000 0.900 579 G HN 0.476 nan 8.290 nan 0.000 0.495 580 Q N -0.684 119.168 119.800 0.088 0.000 2.683 580 Q HA 0.407 4.736 4.340 -0.018 0.000 0.302 580 Q C -0.981 175.091 176.000 0.120 0.000 1.042 580 Q CA -0.911 54.947 55.803 0.093 0.000 0.773 580 Q CB 0.944 29.732 28.738 0.083 0.000 1.508 580 Q HN 0.216 nan 8.270 nan 0.000 0.459 581 D N 1.929 122.396 120.400 0.111 0.000 2.359 581 D HA 0.276 4.905 4.640 -0.018 0.000 0.250 581 D C -0.339 176.048 176.300 0.145 0.000 1.264 581 D CA 0.026 54.096 54.000 0.118 0.000 0.911 581 D CB -0.348 40.413 40.800 -0.065 0.000 1.056 581 D HN 0.429 nan 8.370 nan 0.000 0.499 582 I N -0.050 120.614 120.570 0.157 0.000 3.023 582 I HA 0.686 4.845 4.170 -0.018 0.000 0.312 582 I C -0.839 175.351 176.117 0.122 0.000 1.056 582 I CA -1.031 60.358 61.300 0.148 0.000 1.033 582 I CB 2.139 40.219 38.000 0.133 0.000 1.233 582 I HN -0.114 nan 8.210 nan 0.000 0.462 583 V N 3.484 123.463 119.914 0.108 0.000 2.638 583 V HA 0.433 4.542 4.120 -0.018 0.000 0.306 583 V C -0.258 175.813 176.094 -0.039 0.000 1.052 583 V CA -0.667 61.608 62.300 -0.042 0.000 0.885 583 V CB 1.907 33.633 31.823 -0.162 0.000 0.999 583 V HN 0.573 nan 8.190 nan 0.000 0.424 584 V N 3.499 123.327 119.914 -0.142 0.000 2.435 584 V HA 0.489 4.598 4.120 -0.018 0.000 0.290 584 V C -1.218 174.824 176.094 -0.086 0.000 1.030 584 V CA -0.481 61.815 62.300 -0.006 0.000 0.881 584 V CB 1.702 33.523 31.823 -0.004 0.000 0.983 584 V HN 0.919 nan 8.190 nan 0.000 0.445 585 W N 4.026 125.384 121.300 0.096 0.000 2.362 585 W HA 0.469 5.118 4.660 -0.018 0.000 0.316 585 W C 0.044 176.676 176.519 0.188 0.000 1.024 585 W CA -0.513 56.896 57.345 0.106 0.000 1.270 585 W CB 0.448 29.949 29.460 0.069 0.000 1.273 585 W HN 0.567 nan 8.180 nan 0.000 0.424 586 H N 2.399 121.570 119.070 0.167 0.000 2.504 586 H HA 0.366 4.911 4.556 -0.018 0.000 0.322 586 H C -0.517 174.991 175.328 0.299 0.000 1.055 586 H CA -0.256 55.855 56.048 0.106 0.000 1.231 586 H CB 1.105 30.749 29.762 -0.197 0.000 1.417 586 H HN 0.162 nan 8.280 nan 0.000 0.472 587 T N 7.140 121.703 114.554 0.015 0.000 2.780 587 T HA 0.280 4.620 4.350 -0.018 0.000 0.294 587 T C -0.820 173.775 174.700 -0.176 0.000 0.949 587 T CA -0.234 61.883 62.100 0.027 0.000 1.074 587 T CB -0.291 68.697 68.868 0.200 0.000 0.910 587 T HN 0.479 nan 8.240 nan 0.000 0.501 588 F N 0.280 120.113 119.950 -0.195 0.000 2.615 588 F HA 0.832 5.348 4.527 -0.018 0.000 0.312 588 F C -0.249 175.620 175.800 0.116 0.000 1.119 588 F CA -1.091 56.852 58.000 -0.095 0.000 0.979 588 F CB 1.070 39.986 39.000 -0.141 0.000 1.266 588 F HN 0.749 nan 8.300 nan 0.000 0.444 589 G N 2.053 110.938 108.800 0.141 0.000 2.600 589 G HA2 0.603 4.552 3.960 -0.018 0.000 0.293 589 G HA3 0.603 4.552 3.960 -0.018 0.000 0.293 589 G C -2.403 172.537 174.900 0.067 0.000 1.408 589 G CA -1.182 43.977 45.100 0.098 0.000 0.782 589 G HN 0.828 nan 8.290 nan 0.000 0.482 590 L N 0.728 121.939 121.223 -0.020 0.000 2.295 590 L HA 0.481 4.810 4.340 -0.018 0.000 0.285 590 L C 0.016 176.722 176.870 -0.273 0.000 1.035 590 L CA -0.670 54.063 54.840 -0.178 0.000 0.806 590 L CB 2.101 43.898 42.059 -0.437 0.000 1.214 590 L HN 0.418 nan 8.230 nan 0.000 0.426 591 T N 1.127 115.536 114.554 -0.241 0.000 2.747 591 T HA 0.246 4.585 4.350 -0.018 0.000 0.301 591 T C -0.286 174.187 174.700 -0.378 0.000 0.952 591 T CA -0.243 61.645 62.100 -0.354 0.000 0.983 591 T CB -0.311 68.409 68.868 -0.247 0.000 0.930 591 T HN 0.387 nan 8.240 nan 0.000 0.494 592 H N 2.260 120.948 119.070 -0.637 0.000 2.641 592 H HA 0.237 4.782 4.556 -0.018 0.000 0.295 592 H C -0.547 174.356 175.328 -0.709 0.000 1.070 592 H CA -0.841 54.872 56.048 -0.559 0.000 1.257 592 H CB 0.424 29.885 29.762 -0.502 0.000 1.393 592 H HN 0.488 nan 8.280 nan 0.000 0.464 593 F N 4.886 124.743 119.950 -0.156 0.000 2.560 593 F HA 0.217 4.733 4.527 -0.018 0.000 0.338 593 F C -1.954 173.807 175.800 -0.066 0.000 1.201 593 F CA -2.619 55.193 58.000 -0.314 0.000 1.291 593 F CB -0.155 38.590 39.000 -0.424 0.000 1.627 593 F HN 0.420 nan 8.300 nan 0.000 0.588 594 P HA -0.051 nan 4.420 nan 0.000 0.261 594 P C -0.233 177.163 177.300 0.160 0.000 1.165 594 P CA 0.563 63.772 63.100 0.181 0.000 0.759 594 P CB 0.501 32.364 31.700 0.271 0.000 0.772 595 R N 1.977 122.534 120.500 0.096 0.000 2.674 595 R HA 0.330 4.660 4.340 -0.018 0.000 0.266 595 R C 1.230 177.582 176.300 0.087 0.000 1.016 595 R CA -1.019 55.126 56.100 0.074 0.000 1.062 595 R CB 0.308 30.633 30.300 0.043 0.000 1.142 595 R HN 0.110 nan 8.270 nan 0.000 0.517 596 V N 1.173 121.126 119.914 0.065 0.000 2.469 596 V HA -0.214 3.895 4.120 -0.018 0.000 0.251 596 V C 1.434 177.597 176.094 0.116 0.000 1.064 596 V CA 1.822 64.175 62.300 0.089 0.000 1.066 596 V CB -0.596 31.256 31.823 0.048 0.000 0.667 596 V HN 0.694 nan 8.190 nan 0.000 0.461 597 E N 0.056 120.296 120.200 0.068 0.000 2.409 597 E HA -0.144 4.195 4.350 -0.018 0.000 0.198 597 E C 1.630 178.254 176.600 0.039 0.000 1.024 597 E CA 0.779 57.205 56.400 0.044 0.000 0.861 597 E CB -0.228 29.481 29.700 0.016 0.000 0.788 597 E HN 0.592 nan 8.360 nan 0.000 0.521 598 D N -1.018 119.426 120.400 0.073 0.000 2.349 598 D HA -0.063 4.566 4.640 -0.018 0.000 0.215 598 D C -0.156 176.214 176.300 0.117 0.000 1.016 598 D CA 0.249 54.283 54.000 0.057 0.000 0.870 598 D CB 0.161 40.994 40.800 0.056 0.000 0.917 598 D HN 0.209 nan 8.370 nan 0.000 0.524 599 W N 2.449 123.739 121.300 -0.017 0.000 2.551 599 W HA 0.195 4.844 4.660 -0.018 0.000 0.330 599 W C -1.844 174.678 176.519 0.005 0.000 1.063 599 W CA -1.961 55.384 57.345 0.000 0.000 1.222 599 W CB 2.031 31.497 29.460 0.010 0.000 1.349 599 W HN -0.193 nan 8.180 nan 0.000 0.536 600 P HA 0.053 nan 4.420 nan 0.000 0.227 600 P C 0.165 176.943 177.300 -0.870 0.000 1.161 600 P CA 0.985 63.147 63.100 -1.564 0.000 0.788 600 P CB 1.418 32.559 31.700 -0.931 0.000 0.822 601 I N -0.114 120.157 120.570 -0.498 0.000 2.499 601 I HA 0.302 4.461 4.170 -0.018 0.000 0.288 601 I C -0.376 175.564 176.117 -0.294 0.000 1.048 601 I CA -1.664 59.349 61.300 -0.478 0.000 1.062 601 I CB 2.347 39.824 38.000 -0.872 0.000 1.238 601 I HN -0.252 nan 8.210 nan 0.000 0.426 602 M N 10.634 130.104 119.600 -0.216 0.000 2.246 602 M HA 0.317 4.786 4.480 -0.018 0.000 0.350 602 M C -2.338 173.878 176.300 -0.139 0.000 1.406 602 M CA -1.051 54.166 55.300 -0.138 0.000 1.089 602 M CB 0.560 33.094 32.600 -0.110 0.000 1.782 602 M HN 0.290 nan 8.290 nan 0.000 0.457 603 P HA 0.104 nan 4.420 nan 0.000 0.278 603 P C -0.761 176.504 177.300 -0.057 0.000 1.238 603 P CA -0.425 62.624 63.100 -0.085 0.000 0.794 603 P CB 0.831 32.491 31.700 -0.066 0.000 0.955 604 V N 3.126 123.019 119.914 -0.035 0.000 2.625 604 V HA -0.111 3.998 4.120 -0.018 0.000 0.305 604 V C 0.802 176.897 176.094 0.001 0.000 1.055 604 V CA 1.275 63.574 62.300 -0.001 0.000 1.209 604 V CB -0.639 31.195 31.823 0.019 0.000 0.877 604 V HN 0.663 nan 8.190 nan 0.000 0.489 605 D N 3.031 123.447 120.400 0.026 0.000 2.457 605 D HA 0.711 5.340 4.640 -0.018 0.000 0.240 605 D C -0.183 176.140 176.300 0.038 0.000 1.041 605 D CA -0.171 53.867 54.000 0.062 0.000 0.861 605 D CB 2.217 43.120 40.800 0.171 0.000 1.394 605 D HN 0.723 nan 8.370 nan 0.000 0.473 606 T N -1.004 113.565 114.554 0.025 0.000 2.901 606 T HA 0.788 5.127 4.350 -0.018 0.000 0.293 606 T C -0.958 173.754 174.700 0.020 0.000 1.084 606 T CA -0.767 61.317 62.100 -0.027 0.000 1.008 606 T CB 1.471 70.300 68.868 -0.064 0.000 1.170 606 T HN 0.289 nan 8.240 nan 0.000 0.509 607 V N -0.648 119.248 119.914 -0.030 0.000 3.242 607 V HA 0.891 5.000 4.120 -0.018 0.000 0.298 607 V C -0.188 175.830 176.094 -0.127 0.000 1.352 607 V CA 0.523 62.859 62.300 0.059 0.000 1.052 607 V CB 1.678 33.597 31.823 0.161 0.000 1.101 607 V HN 1.759 nan 8.190 nan 0.000 0.446 608 G N 1.877 110.419 108.800 -0.430 0.000 2.356 608 G HA2 0.646 4.595 3.960 -0.018 0.000 0.281 608 G HA3 0.646 4.595 3.960 -0.018 0.000 0.281 608 G C -1.487 172.819 174.900 -0.991 0.000 1.246 608 G CA 0.237 44.888 45.100 -0.748 0.000 0.889 608 G HN 1.988 nan 8.290 nan 0.000 0.486 609 F N -1.111 118.473 119.950 -0.611 0.000 2.858 609 F HA 0.873 5.389 4.527 -0.018 0.000 0.319 609 F C -1.105 174.696 175.800 0.002 0.000 1.166 609 F CA -0.845 57.006 58.000 -0.248 0.000 0.899 609 F CB 1.509 40.374 39.000 -0.224 0.000 1.332 609 F HN 0.870 nan 8.300 nan 0.000 0.461 610 K N 0.798 121.362 120.400 0.274 0.000 2.575 610 K HA 0.797 5.106 4.320 -0.018 0.000 0.279 610 K C -2.526 174.317 176.600 0.405 0.000 0.969 610 K CA -1.036 55.399 56.287 0.246 0.000 0.868 610 K CB 2.532 35.154 32.500 0.204 0.000 1.457 610 K HN 0.753 nan 8.250 nan 0.000 0.426 611 L N 1.639 123.103 121.223 0.402 0.000 2.376 611 L HA 0.558 4.887 4.340 -0.018 0.000 0.275 611 L C -0.500 176.658 176.870 0.480 0.000 0.987 611 L CA -0.608 54.491 54.840 0.431 0.000 0.828 611 L CB 1.980 44.308 42.059 0.449 0.000 1.249 611 L HN 0.531 nan 8.230 nan 0.000 0.409 612 R N 2.748 123.435 120.500 0.312 0.000 2.589 612 R HA 0.552 4.881 4.340 -0.018 0.000 0.293 612 R C -2.559 173.496 176.300 -0.408 0.000 0.963 612 R CA -2.030 54.124 56.100 0.091 0.000 0.905 612 R CB 1.615 32.022 30.300 0.178 0.000 1.144 612 R HN 0.228 nan 8.270 nan 0.000 0.459 613 P HA -0.057 nan 4.420 nan 0.000 0.266 613 P C -0.628 176.459 177.300 -0.355 0.000 1.195 613 P CA 0.306 62.778 63.100 -1.046 0.000 0.768 613 P CB 0.535 31.994 31.700 -0.401 0.000 0.838 614 E N 2.239 122.305 120.200 -0.224 0.000 2.731 614 E HA 0.433 4.773 4.350 -0.018 0.000 0.248 614 E C 0.531 177.136 176.600 0.009 0.000 1.084 614 E CA -0.330 56.039 56.400 -0.051 0.000 0.776 614 E CB -0.657 29.032 29.700 -0.019 0.000 1.404 614 E HN 0.579 nan 8.360 nan 0.000 0.395 615 G N 3.394 112.208 108.800 0.022 0.000 2.179 615 G HA2 -0.363 3.586 3.960 -0.018 0.000 0.257 615 G HA3 -0.363 3.586 3.960 -0.018 0.000 0.257 615 G C 0.500 175.405 174.900 0.009 0.000 1.010 615 G CA 0.468 45.581 45.100 0.023 0.000 0.736 615 G HN 0.533 nan 8.290 nan 0.000 0.513 616 F N -0.016 119.821 119.950 -0.187 0.000 2.187 616 F HA 0.469 4.985 4.527 -0.018 0.000 0.295 616 F C 1.374 176.909 175.800 -0.442 0.000 1.091 616 F CA 0.605 58.394 58.000 -0.351 0.000 1.308 616 F CB 0.052 38.730 39.000 -0.536 0.000 1.030 616 F HN 0.125 nan 8.300 nan 0.000 0.487 617 F N 0.281 120.252 119.950 0.035 0.000 2.411 617 F HA 0.228 4.744 4.527 -0.019 0.000 0.324 617 F C 1.341 177.103 175.800 -0.063 0.000 1.086 617 F CA -0.773 57.196 58.000 -0.052 0.000 1.028 617 F CB 0.286 39.260 39.000 -0.044 0.000 1.284 617 F HN -0.287 nan 8.300 nan 0.000 0.501 618 D N 0.076 120.567 120.400 0.152 0.000 2.340 618 D HA 0.078 4.707 4.640 -0.018 0.000 0.220 618 D C 0.187 176.517 176.300 0.051 0.000 1.039 618 D CA 0.541 54.576 54.000 0.059 0.000 0.866 618 D CB 0.245 41.063 40.800 0.030 0.000 0.913 618 D HN 0.492 nan 8.370 nan 0.000 0.523 619 R N -2.055 118.487 120.500 0.071 0.000 3.012 619 R HA 0.121 4.451 4.340 -0.018 0.000 0.287 619 R C -0.842 175.454 176.300 -0.007 0.000 0.990 619 R CA -0.721 55.392 56.100 0.023 0.000 0.839 619 R CB 0.199 30.499 30.300 -0.000 0.000 1.317 619 R HN -0.151 nan 8.270 nan 0.000 0.518 620 S N 1.397 117.072 115.700 -0.042 0.000 2.673 620 S HA 0.052 4.511 4.470 -0.018 0.000 0.308 620 S C -1.077 173.418 174.600 -0.175 0.000 1.246 620 S CA -0.519 57.624 58.200 -0.095 0.000 1.077 620 S CB 0.389 63.555 63.200 -0.056 0.000 0.814 620 S HN 0.515 nan 8.310 nan 0.000 0.503 621 P HA 0.062 nan 4.420 nan 0.000 0.245 621 P C 0.570 177.752 177.300 -0.196 0.000 1.212 621 P CA 0.325 63.132 63.100 -0.488 0.000 0.774 621 P CB -0.245 30.678 31.700 -1.294 0.000 0.999 622 V N -4.175 115.674 119.914 -0.109 0.000 3.006 622 V HA 0.226 4.335 4.120 -0.018 0.000 0.357 622 V C 1.631 177.742 176.094 0.028 0.000 1.377 622 V CA -0.129 62.160 62.300 -0.017 0.000 1.198 622 V CB -0.741 31.095 31.823 0.021 0.000 1.216 622 V HN -0.114 nan 8.190 nan 0.000 0.520 623 L N 1.173 122.403 121.223 0.013 0.000 2.376 623 L HA 0.035 4.364 4.340 -0.018 0.000 0.219 623 L C 2.074 178.978 176.870 0.057 0.000 1.133 623 L CA 1.345 56.215 54.840 0.049 0.000 0.816 623 L CB -0.272 41.794 42.059 0.011 0.000 0.933 623 L HN 0.541 nan 8.230 nan 0.000 0.449 624 D N -0.618 119.797 120.400 0.026 0.000 2.328 624 D HA -0.009 4.621 4.640 -0.018 0.000 0.221 624 D C 0.631 176.937 176.300 0.010 0.000 1.072 624 D CA 0.011 54.021 54.000 0.017 0.000 0.850 624 D CB -0.113 40.686 40.800 -0.001 0.000 0.922 624 D HN 0.012 nan 8.370 nan 0.000 0.516 625 V N 3.526 123.452 119.914 0.019 0.000 2.479 625 V HA 0.162 4.271 4.120 -0.018 0.000 0.281 625 V C -1.539 174.554 176.094 -0.001 0.000 1.031 625 V CA -0.992 61.309 62.300 0.000 0.000 1.038 625 V CB 0.910 32.737 31.823 0.008 0.000 0.981 625 V HN 0.180 nan 8.190 nan 0.000 0.478 626 P HA 0.292 nan 4.420 nan 0.000 0.276 626 P C 0.137 177.408 177.300 -0.048 0.000 1.261 626 P CA -0.331 62.758 63.100 -0.019 0.000 0.800 626 P CB 1.620 33.311 31.700 -0.014 0.000 1.066 627 A N 0.614 123.401 122.820 -0.055 0.000 1.942 627 A HA 0.147 4.456 4.320 -0.018 0.000 0.209 627 A C 0.696 178.252 177.584 -0.046 0.000 1.214 627 A CA 1.271 53.259 52.037 -0.082 0.000 0.686 627 A CB -1.254 17.690 19.000 -0.093 0.000 0.871 627 A HN 0.785 nan 8.150 nan 0.000 0.460 628 N N 0.000 118.683 118.700 -0.028 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 628 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667