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 2cwv_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 PIRSWQNYFA 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 0.000 177.571 177.584 -0.021 0.000 1.274 9 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 9 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 10 S N 2.258 117.953 115.700 -0.008 0.000 2.533 10 S HA 0.373 4.832 4.470 -0.018 0.000 0.282 10 S C -0.971 173.593 174.600 -0.061 0.000 1.304 10 S CA -0.362 57.840 58.200 0.004 0.000 1.063 10 S CB 0.785 64.021 63.200 0.060 0.000 0.881 10 S HN 0.299 nan 8.310 nan 0.000 0.493 11 P HA 0.082 nan 4.420 nan 0.000 0.242 11 P C 0.034 176.945 177.300 -0.648 0.000 1.197 11 P CA 0.535 63.393 63.100 -0.403 0.000 0.765 11 P CB -0.116 31.279 31.700 -0.509 0.000 0.936 12 F N 0.433 120.314 119.950 -0.115 0.000 2.654 12 F HA 0.240 4.756 4.527 -0.018 0.000 0.303 12 F C 1.456 177.185 175.800 -0.118 0.000 1.099 12 F CA -0.837 57.052 58.000 -0.184 0.000 1.270 12 F CB -0.020 38.872 39.000 -0.180 0.000 1.024 12 F HN -0.175 nan 8.300 nan 0.000 0.548 13 R N 0.684 121.202 120.500 0.029 0.000 2.694 13 R HA 0.304 4.633 4.340 -0.018 0.000 0.268 13 R C -0.115 176.201 176.300 0.027 0.000 1.061 13 R CA -0.468 55.657 56.100 0.042 0.000 1.133 13 R CB 0.547 30.863 30.300 0.026 0.000 1.020 13 R HN 0.148 nan 8.270 nan 0.000 0.475 14 L N 1.480 122.734 121.223 0.051 0.000 2.482 14 L HA 0.127 4.456 4.340 -0.018 0.000 0.273 14 L C 0.764 177.676 176.870 0.069 0.000 1.228 14 L CA -0.168 54.708 54.840 0.059 0.000 0.827 14 L CB 0.419 42.514 42.059 0.060 0.000 1.099 14 L HN 0.852 nan 8.230 nan 0.000 0.494 15 A N 1.991 124.871 122.820 0.101 0.000 2.477 15 A HA 0.376 4.686 4.320 -0.018 0.000 0.246 15 A C 0.300 177.957 177.584 0.121 0.000 1.078 15 A CA -0.214 51.937 52.037 0.190 0.000 0.770 15 A CB 0.128 19.301 19.000 0.289 0.000 1.011 15 A HN 0.741 nan 8.150 nan 0.000 0.494 16 S N 1.478 117.239 115.700 0.102 0.000 2.687 16 S HA 0.615 5.074 4.470 -0.018 0.000 0.283 16 S C 1.164 175.766 174.600 0.003 0.000 1.170 16 S CA -0.188 58.035 58.200 0.040 0.000 1.008 16 S CB 1.518 64.734 63.200 0.027 0.000 1.026 16 S HN 1.541 nan 8.310 nan 0.000 0.541 17 A N 1.434 124.248 122.820 -0.010 0.000 1.933 17 A HA 0.138 4.447 4.320 -0.018 0.000 0.218 17 A C 2.108 179.660 177.584 -0.054 0.000 1.175 17 A CA 1.722 53.741 52.037 -0.029 0.000 0.628 17 A CB -1.758 17.230 19.000 -0.021 0.000 0.814 17 A HN 1.146 nan 8.150 nan 0.000 0.444 18 G N -0.417 108.355 108.800 -0.046 0.000 2.418 18 G HA2 -0.209 3.740 3.960 -0.018 0.000 0.217 18 G HA3 -0.209 3.740 3.960 -0.018 0.000 0.217 18 G C 1.416 176.251 174.900 -0.108 0.000 1.158 18 G CA 0.950 46.014 45.100 -0.060 0.000 0.771 18 G HN 0.659 nan 8.290 nan 0.000 0.545 19 E N 0.039 120.162 120.200 -0.127 0.000 2.077 19 E HA -0.075 4.264 4.350 -0.018 0.000 0.193 19 E C 2.506 178.826 176.600 -0.467 0.000 0.989 19 E CA 0.634 56.871 56.400 -0.271 0.000 0.800 19 E CB -0.147 29.437 29.700 -0.192 0.000 0.746 19 E HN 0.488 nan 8.360 nan 0.000 0.452 20 I N 0.869 121.232 120.570 -0.345 0.000 2.252 20 I HA -0.244 3.915 4.170 -0.018 0.000 0.245 20 I C 2.387 178.372 176.117 -0.219 0.000 1.102 20 I CA 0.808 61.918 61.300 -0.317 0.000 1.385 20 I CB -0.186 37.716 38.000 -0.164 0.000 1.064 20 I HN -0.008 nan 8.210 nan 0.000 0.414 21 S N 0.171 115.782 115.700 -0.149 0.000 2.382 21 S HA -0.226 4.233 4.470 -0.018 0.000 0.228 21 S C 1.891 176.423 174.600 -0.114 0.000 1.027 21 S CA 1.433 59.572 58.200 -0.101 0.000 0.991 21 S CB -0.233 62.925 63.200 -0.070 0.000 0.823 21 S HN 0.382 nan 8.310 nan 0.000 0.469 22 E N 1.192 121.303 120.200 -0.149 0.000 2.106 22 E HA -0.074 4.265 4.350 -0.018 0.000 0.192 22 E C 1.873 178.382 176.600 -0.153 0.000 0.984 22 E CA 0.841 57.160 56.400 -0.136 0.000 0.806 22 E CB -0.303 29.312 29.700 -0.143 0.000 0.750 22 E HN 0.251 nan 8.360 nan 0.000 0.458 23 V N 0.827 120.598 119.914 -0.238 0.000 2.295 23 V HA -0.277 3.832 4.120 -0.018 0.000 0.246 23 V C 2.569 178.594 176.094 -0.114 0.000 1.049 23 V CA 2.221 64.395 62.300 -0.210 0.000 1.024 23 V CB -0.630 31.000 31.823 -0.321 0.000 0.648 23 V HN 0.410 nan 8.190 nan 0.000 0.447 24 Q N 0.102 119.839 119.800 -0.105 0.000 2.061 24 Q HA -0.193 4.136 4.340 -0.018 0.000 0.204 24 Q C 2.244 178.222 176.000 -0.037 0.000 0.984 24 Q CA 2.181 57.953 55.803 -0.052 0.000 0.846 24 Q CB -0.498 28.217 28.738 -0.039 0.000 0.902 24 Q HN 0.653 nan 8.270 nan 0.000 0.421 25 G N 1.150 109.922 108.800 -0.048 0.000 2.418 25 G HA2 -0.206 3.744 3.960 -0.018 0.000 0.217 25 G HA3 -0.206 3.744 3.960 -0.018 0.000 0.217 25 G C 1.407 176.290 174.900 -0.028 0.000 1.158 25 G CA 0.743 45.823 45.100 -0.034 0.000 0.771 25 G HN 0.309 nan 8.290 nan 0.000 0.545 26 I N 0.985 121.533 120.570 -0.036 0.000 2.179 26 I HA -0.075 4.084 4.170 -0.018 0.000 0.242 26 I C 2.847 178.957 176.117 -0.011 0.000 1.088 26 I CA 0.812 62.098 61.300 -0.024 0.000 1.357 26 I CB -1.164 36.819 38.000 -0.028 0.000 1.051 26 I HN 0.162 nan 8.210 nan 0.000 0.409 27 L N -0.091 121.126 121.223 -0.011 0.000 2.083 27 L HA -0.185 4.144 4.340 -0.018 0.000 0.209 27 L C 2.794 179.667 176.870 0.006 0.000 1.083 27 L CA 1.229 56.071 54.840 0.004 0.000 0.752 27 L CB -0.581 41.483 42.059 0.009 0.000 0.899 27 L HN 0.174 nan 8.230 nan 0.000 0.433 28 R N -0.584 119.917 120.500 0.001 0.000 2.073 28 R HA -0.119 4.210 4.340 -0.018 0.000 0.234 28 R C 2.330 178.631 176.300 0.000 0.000 1.134 28 R CA 1.899 58.001 56.100 0.003 0.000 0.952 28 R CB -0.586 29.713 30.300 -0.000 0.000 0.850 28 R HN 0.283 nan 8.270 nan 0.000 0.433 29 T N 0.694 115.246 114.554 -0.004 0.000 2.788 29 T HA -0.130 4.210 4.350 -0.018 0.000 0.268 29 T C 1.700 176.400 174.700 -0.000 0.000 1.044 29 T CA 1.419 63.517 62.100 -0.004 0.000 1.139 29 T CB -0.141 68.723 68.868 -0.007 0.000 0.867 29 T HN 0.359 nan 8.240 nan 0.000 0.454 30 A N 0.367 123.189 122.820 0.002 0.000 2.235 30 A HA 0.475 4.784 4.320 -0.018 0.000 0.208 30 A C 1.866 179.454 177.584 0.006 0.000 1.172 30 A CA 0.811 52.852 52.037 0.005 0.000 0.786 30 A CB -0.872 18.134 19.000 0.010 0.000 0.804 30 A HN 0.742 nan 8.150 nan 0.000 0.479 31 G N -1.154 107.650 108.800 0.006 0.000 2.176 31 G HA2 -0.243 3.707 3.960 -0.018 0.000 0.252 31 G HA3 -0.243 3.707 3.960 -0.018 0.000 0.252 31 G C 0.487 175.392 174.900 0.009 0.000 1.024 31 G CA 0.554 45.658 45.100 0.006 0.000 0.755 31 G HN 0.547 nan 8.290 nan 0.000 0.507 32 L N -1.504 119.727 121.223 0.013 0.000 2.693 32 L HA 0.471 4.800 4.340 -0.018 0.000 0.235 32 L C 1.045 177.929 176.870 0.024 0.000 1.127 32 L CA 0.038 54.889 54.840 0.019 0.000 0.914 32 L CB 0.601 42.675 42.059 0.026 0.000 1.193 32 L HN 0.201 nan 8.230 nan 0.000 0.502 33 L N 0.720 121.957 121.223 0.023 0.000 2.678 33 L HA 0.522 4.851 4.340 -0.018 0.000 0.250 33 L C 0.568 177.458 176.870 0.032 0.000 1.455 33 L CA -0.185 54.674 54.840 0.032 0.000 0.823 33 L CB 0.500 42.580 42.059 0.034 0.000 1.107 33 L HN -0.051 nan 8.230 nan 0.000 0.514 34 G N 0.681 109.496 108.800 0.025 0.000 2.588 34 G HA2 0.313 4.262 3.960 -0.018 0.000 0.278 34 G HA3 0.313 4.262 3.960 -0.018 0.000 0.278 34 G C -1.603 173.319 174.900 0.037 0.000 1.307 34 G CA -0.511 44.602 45.100 0.022 0.000 1.016 34 G HN 0.378 nan 8.290 nan 0.000 0.503 35 P HA -0.108 nan 4.420 nan 0.000 0.221 35 P C 1.111 178.447 177.300 0.060 0.000 1.145 35 P CA 1.223 64.348 63.100 0.042 0.000 0.795 35 P CB 0.240 31.949 31.700 0.015 0.000 0.775 36 E N -0.508 119.713 120.200 0.035 0.000 2.479 36 E HA 0.024 4.364 4.350 -0.018 0.000 0.193 36 E C 0.249 176.854 176.600 0.008 0.000 1.049 36 E CA 0.319 56.731 56.400 0.020 0.000 0.870 36 E CB -0.078 29.616 29.700 -0.010 0.000 0.944 36 E HN 0.120 nan 8.360 nan 0.000 0.492 37 K N 1.473 121.895 120.400 0.037 0.000 2.098 37 K HA 0.415 4.725 4.320 -0.018 0.000 0.261 37 K C 0.218 176.867 176.600 0.082 0.000 0.987 37 K CA -0.596 55.711 56.287 0.034 0.000 0.916 37 K CB 1.333 33.856 32.500 0.039 0.000 1.039 37 K HN -0.038 nan 8.250 nan 0.000 0.455 38 R N 1.466 122.012 120.500 0.076 0.000 2.651 38 R HA 0.440 4.770 4.340 -0.018 0.000 0.278 38 R C -0.217 176.126 176.300 0.071 0.000 1.010 38 R CA -0.710 55.424 56.100 0.057 0.000 0.896 38 R CB 1.342 31.698 30.300 0.092 0.000 1.211 38 R HN 0.582 nan 8.270 nan 0.000 0.456 39 I N 2.421 122.991 120.570 0.001 0.000 2.308 39 I HA 0.096 4.255 4.170 -0.018 0.000 0.293 39 I C 1.296 177.428 176.117 0.025 0.000 1.078 39 I CA 0.055 61.369 61.300 0.022 0.000 1.292 39 I CB 1.446 39.428 38.000 -0.030 0.000 1.423 39 I HN 0.733 nan 8.210 nan 0.000 0.493 40 A N 6.765 129.662 122.820 0.127 0.000 2.030 40 A HA -0.010 4.299 4.320 -0.018 0.000 0.215 40 A C 0.346 178.048 177.584 0.197 0.000 1.164 40 A CA 0.917 53.042 52.037 0.146 0.000 0.697 40 A CB 0.205 19.333 19.000 0.213 0.000 0.827 40 A HN 0.669 nan 8.150 nan 0.000 0.457 41 Y N -1.889 118.430 120.300 0.033 0.000 2.480 41 Y HA 0.583 5.122 4.550 -0.018 0.000 0.329 41 Y C -1.748 174.037 175.900 -0.192 0.000 1.127 41 Y CA -1.253 56.765 58.100 -0.138 0.000 1.037 41 Y CB 1.309 39.555 38.460 -0.356 0.000 1.320 41 Y HN 0.136 nan 8.280 nan 0.000 0.446 42 L N 5.445 125.976 121.223 -1.153 0.000 2.505 42 L HA 0.955 5.285 4.340 -0.018 0.000 0.266 42 L C -1.165 175.142 176.870 -0.937 0.000 0.954 42 L CA -0.241 54.117 54.840 -0.803 0.000 0.852 42 L CB 1.926 43.798 42.059 -0.311 0.000 1.282 42 L HN 0.930 nan 8.230 nan 0.000 0.403 43 G N 2.789 111.207 108.800 -0.638 0.000 2.704 43 G HA2 0.485 4.435 3.960 -0.018 0.000 0.293 43 G HA3 0.485 4.435 3.960 -0.018 0.000 0.293 43 G C -1.865 172.867 174.900 -0.280 0.000 1.421 43 G CA -0.556 44.344 45.100 -0.335 0.000 0.870 43 G HN 0.494 nan 8.290 nan 0.000 0.492 44 V N 1.549 121.154 119.914 -0.515 0.000 2.649 44 V HA 0.569 4.678 4.120 -0.018 0.000 0.292 44 V C 0.138 175.953 176.094 -0.466 0.000 1.055 44 V CA -0.564 61.128 62.300 -1.013 0.000 1.023 44 V CB 0.788 32.033 31.823 -0.962 0.000 0.992 44 V HN 0.568 nan 8.190 nan 0.000 0.480 45 L N 5.637 126.611 121.223 -0.414 0.000 2.326 45 L HA 0.426 4.756 4.340 -0.018 0.000 0.278 45 L C 0.068 176.822 176.870 -0.194 0.000 1.092 45 L CA -0.600 54.119 54.840 -0.202 0.000 0.810 45 L CB 0.978 42.958 42.059 -0.132 0.000 1.153 45 L HN 0.635 nan 8.230 nan 0.000 0.439 46 D N 3.777 124.113 120.400 -0.105 0.000 2.362 46 D HA 0.191 4.821 4.640 -0.018 0.000 0.242 46 D C -1.939 174.299 176.300 -0.102 0.000 1.132 46 D CA -0.816 53.133 54.000 -0.086 0.000 0.907 46 D CB 0.451 41.289 40.800 0.064 0.000 1.195 46 D HN 0.311 nan 8.370 nan 0.000 0.429 47 P HA 0.175 nan 4.420 nan 0.000 0.271 47 P C -0.734 176.537 177.300 -0.049 0.000 1.216 47 P CA -0.401 62.613 63.100 -0.143 0.000 0.776 47 P CB 0.638 32.191 31.700 -0.245 0.000 0.881 48 A N 4.031 126.827 122.820 -0.040 0.000 2.386 48 A HA 0.201 4.510 4.320 -0.018 0.000 0.246 48 A C 0.710 178.270 177.584 -0.040 0.000 1.089 48 A CA -0.355 51.675 52.037 -0.013 0.000 0.790 48 A CB 0.041 19.035 19.000 -0.010 0.000 1.042 48 A HN 0.456 nan 8.150 nan 0.000 0.497 49 R N 0.082 120.538 120.500 -0.074 0.000 2.570 49 R HA 0.365 4.695 4.340 -0.018 0.000 0.277 49 R C 0.767 177.025 176.300 -0.069 0.000 1.039 49 R CA 1.247 57.257 56.100 -0.150 0.000 1.065 49 R CB -0.478 29.666 30.300 -0.260 0.000 0.964 49 R HN 1.820 nan 8.270 nan 0.000 0.428 50 G N 1.372 110.150 108.800 -0.036 0.000 3.391 50 G HA2 -0.162 3.787 3.960 -0.018 0.000 0.675 50 G HA3 -0.162 3.787 3.960 -0.018 0.000 0.675 50 G C 0.081 174.982 174.900 0.001 0.000 0.899 50 G CA -0.246 44.853 45.100 -0.000 0.000 0.755 50 G HN 0.875 nan 8.290 nan 0.000 0.475 51 A N 2.726 125.555 122.820 0.015 0.000 2.522 51 A HA 0.490 4.800 4.320 -0.018 0.000 0.285 51 A C 1.812 179.392 177.584 -0.007 0.000 1.222 51 A CA 1.706 53.745 52.037 0.003 0.000 0.931 51 A CB -0.481 18.525 19.000 0.011 0.000 1.003 51 A HN 2.318 nan 8.150 nan 0.000 0.560 52 G N 2.080 110.870 108.800 -0.016 0.000 2.713 52 G HA2 0.180 4.130 3.960 -0.018 0.000 0.170 52 G HA3 0.180 4.130 3.960 -0.018 0.000 0.170 52 G C 0.813 175.703 174.900 -0.016 0.000 1.724 52 G CA 0.457 45.547 45.100 -0.016 0.000 0.892 52 G HN 0.766 nan 8.290 nan 0.000 0.376 53 S N 0.293 115.981 115.700 -0.020 0.000 2.553 53 S HA -0.039 4.421 4.470 -0.018 0.000 0.293 53 S C 1.427 176.016 174.600 -0.018 0.000 1.296 53 S CA 0.500 58.689 58.200 -0.018 0.000 1.046 53 S CB 1.034 64.221 63.200 -0.022 0.000 0.810 53 S HN 0.615 nan 8.310 nan 0.000 0.505 54 E N 1.455 121.647 120.200 -0.014 0.000 2.086 54 E HA -0.231 4.108 4.350 -0.018 0.000 0.205 54 E C 0.806 177.396 176.600 -0.016 0.000 1.027 54 E CA 1.464 57.857 56.400 -0.012 0.000 0.830 54 E CB 0.011 29.705 29.700 -0.009 0.000 0.751 54 E HN 0.731 nan 8.360 nan 0.000 0.456 55 A N 0.353 123.161 122.820 -0.021 0.000 2.373 55 A HA 0.400 4.710 4.320 -0.018 0.000 0.291 55 A C -0.927 176.633 177.584 -0.040 0.000 1.171 55 A CA -0.413 51.608 52.037 -0.028 0.000 0.922 55 A CB 0.844 19.830 19.000 -0.023 0.000 1.400 55 A HN 0.240 nan 8.150 nan 0.000 0.474 56 E N 0.306 120.473 120.200 -0.054 0.000 2.146 56 E HA 0.442 4.782 4.350 -0.018 0.000 0.282 56 E C -1.255 175.307 176.600 -0.063 0.000 0.989 56 E CA -0.386 55.968 56.400 -0.078 0.000 0.799 56 E CB 1.061 30.689 29.700 -0.121 0.000 1.088 56 E HN 0.385 nan 8.360 nan 0.000 0.397 57 D N 3.098 123.464 120.400 -0.057 0.000 2.347 57 D HA 0.093 4.722 4.640 -0.018 0.000 0.235 57 D C -0.589 175.687 176.300 -0.040 0.000 1.149 57 D CA -0.615 53.364 54.000 -0.035 0.000 0.850 57 D CB 0.536 41.322 40.800 -0.024 0.000 1.061 57 D HN 0.208 nan 8.370 nan 0.000 0.487 58 R N 4.106 124.599 120.500 -0.013 0.000 2.343 58 R HA 0.295 4.624 4.340 -0.018 0.000 0.326 58 R C 0.103 176.452 176.300 0.080 0.000 1.055 58 R CA -0.028 56.079 56.100 0.011 0.000 0.961 58 R CB 0.312 30.661 30.300 0.081 0.000 0.978 58 R HN 0.487 nan 8.270 nan 0.000 0.443 59 R N 2.303 122.805 120.500 0.003 0.000 2.778 59 R HA 0.533 4.862 4.340 -0.018 0.000 0.277 59 R C -0.716 175.567 176.300 -0.028 0.000 0.977 59 R CA -0.668 55.470 56.100 0.063 0.000 0.950 59 R CB 1.542 31.843 30.300 0.001 0.000 1.165 59 R HN 0.239 nan 8.270 nan 0.000 0.474 60 F N 0.267 120.194 119.950 -0.039 0.000 2.576 60 F HA 0.504 5.021 4.527 -0.018 0.000 0.313 60 F C 0.131 175.912 175.800 -0.032 0.000 1.078 60 F CA -0.840 57.129 58.000 -0.052 0.000 0.921 60 F CB 2.041 40.998 39.000 -0.073 0.000 1.232 60 F HN 0.205 nan 8.300 nan 0.000 0.459 61 R N 1.682 122.245 120.500 0.106 0.000 2.637 61 R HA 0.897 5.226 4.340 -0.018 0.000 0.291 61 R C -2.049 174.272 176.300 0.036 0.000 0.963 61 R CA -0.558 55.600 56.100 0.098 0.000 0.901 61 R CB 1.767 32.131 30.300 0.107 0.000 1.160 61 R HN 0.555 nan 8.270 nan 0.000 0.457 62 V N 4.028 123.998 119.914 0.092 0.000 2.925 62 V HA 0.521 4.631 4.120 -0.018 0.000 0.311 62 V C -1.253 175.039 176.094 0.329 0.000 1.104 62 V CA -0.836 61.504 62.300 0.066 0.000 0.954 62 V CB 2.066 33.926 31.823 0.062 0.000 1.022 62 V HN 0.569 nan 8.190 nan 0.000 0.427 63 F N 4.059 124.166 119.950 0.262 0.000 2.402 63 F HA 0.591 5.107 4.527 -0.018 0.000 0.355 63 F C -0.039 175.863 175.800 0.170 0.000 1.123 63 F CA -1.712 56.443 58.000 0.258 0.000 1.021 63 F CB 1.342 40.543 39.000 0.335 0.000 1.160 63 F HN 0.129 nan 8.300 nan 0.000 0.451 64 I N 3.732 124.488 120.570 0.310 0.000 2.312 64 I HA 0.153 4.312 4.170 -0.018 0.000 0.290 64 I C 0.125 176.346 176.117 0.174 0.000 1.008 64 I CA -0.522 60.893 61.300 0.192 0.000 1.226 64 I CB 0.694 38.766 38.000 0.120 0.000 1.371 64 I HN 0.548 nan 8.210 nan 0.000 0.468 65 H N 5.755 124.867 119.070 0.071 0.000 2.481 65 H HA 0.368 4.913 4.556 -0.018 0.000 0.339 65 H C -0.945 174.398 175.328 0.025 0.000 1.131 65 H CA -0.166 55.903 56.048 0.036 0.000 1.301 65 H CB 1.143 30.927 29.762 0.036 0.000 1.476 65 H HN 0.512 nan 8.280 nan 0.000 0.529 66 D N 4.171 124.165 120.400 -0.677 0.000 2.471 66 D HA 0.069 4.699 4.640 -0.018 0.000 0.245 66 D C 1.095 176.992 176.300 -0.672 0.000 1.116 66 D CA -0.485 53.232 54.000 -0.473 0.000 0.853 66 D CB 1.384 42.046 40.800 -0.229 0.000 1.123 66 D HN 0.488 nan 8.370 nan 0.000 0.540 67 V N 2.248 121.926 119.914 -0.394 0.000 3.241 67 V HA -0.090 4.019 4.120 -0.018 0.000 0.269 67 V C 1.540 177.585 176.094 -0.081 0.000 1.151 67 V CA 1.809 64.011 62.300 -0.164 0.000 1.158 67 V CB -0.757 31.073 31.823 0.011 0.000 0.764 67 V HN 0.489 nan 8.190 nan 0.000 0.508 68 S N -0.602 115.038 115.700 -0.100 0.000 2.548 68 S HA 0.454 4.913 4.470 -0.018 0.000 0.215 68 S C 1.749 176.317 174.600 -0.053 0.000 0.976 68 S CA 0.782 58.950 58.200 -0.053 0.000 0.908 68 S CB 0.418 63.593 63.200 -0.043 0.000 0.781 68 S HN 1.667 nan 8.310 nan 0.000 0.519 69 G N 0.936 109.685 108.800 -0.085 0.000 2.234 69 G HA2 -0.111 3.839 3.960 -0.018 0.000 0.235 69 G HA3 -0.111 3.839 3.960 -0.018 0.000 0.235 69 G C 0.409 175.272 174.900 -0.062 0.000 0.997 69 G CA -0.102 44.964 45.100 -0.056 0.000 0.623 69 G HN 1.292 nan 8.290 nan 0.000 0.514 70 A N 0.603 123.381 122.820 -0.070 0.000 2.536 70 A HA 0.532 4.841 4.320 -0.018 0.000 0.234 70 A C 0.958 178.501 177.584 -0.068 0.000 1.076 70 A CA 0.633 52.635 52.037 -0.059 0.000 0.769 70 A CB 0.093 19.060 19.000 -0.054 0.000 1.020 70 A HN 0.627 nan 8.150 nan 0.000 0.508 71 R N 1.428 121.893 120.500 -0.058 0.000 2.640 71 R HA 0.130 4.459 4.340 -0.018 0.000 0.270 71 R C -2.012 174.247 176.300 -0.069 0.000 1.024 71 R CA -0.597 55.462 56.100 -0.067 0.000 1.085 71 R CB -0.015 30.246 30.300 -0.065 0.000 0.963 71 R HN 0.624 nan 8.270 nan 0.000 0.426 72 P HA 0.087 nan 4.420 nan 0.000 0.279 72 P C -1.079 176.189 177.300 -0.053 0.000 1.282 72 P CA -0.340 62.728 63.100 -0.053 0.000 0.788 72 P CB 0.912 32.586 31.700 -0.044 0.000 1.139 73 Q N -1.235 118.566 119.800 0.001 0.000 2.416 73 Q HA 0.382 4.712 4.340 -0.018 0.000 0.281 73 Q C -0.995 175.078 176.000 0.122 0.000 1.067 73 Q CA -0.677 55.142 55.803 0.028 0.000 0.809 73 Q CB 2.604 31.366 28.738 0.041 0.000 1.418 73 Q HN 0.434 nan 8.270 nan 0.000 0.411 74 E N 1.559 121.846 120.200 0.145 0.000 2.158 74 E HA 0.525 4.864 4.350 -0.018 0.000 0.271 74 E C -1.528 175.205 176.600 0.221 0.000 0.911 74 E CA -0.546 56.037 56.400 0.304 0.000 0.767 74 E CB 1.472 31.370 29.700 0.330 0.000 1.120 74 E HN 0.324 nan 8.360 nan 0.000 0.405 75 V N 2.936 122.989 119.914 0.232 0.000 2.789 75 V HA 0.439 4.549 4.120 -0.018 0.000 0.311 75 V C -0.304 175.876 176.094 0.144 0.000 1.073 75 V CA -0.860 61.531 62.300 0.151 0.000 0.921 75 V CB 2.090 33.980 31.823 0.112 0.000 1.009 75 V HN 0.846 nan 8.190 nan 0.000 0.426 76 T N 0.907 115.527 114.554 0.110 0.000 2.812 76 T HA 0.813 5.152 4.350 -0.018 0.000 0.282 76 T C -0.609 174.140 174.700 0.081 0.000 0.990 76 T CA -0.663 61.496 62.100 0.099 0.000 0.960 76 T CB 1.445 70.362 68.868 0.082 0.000 0.948 76 T HN 1.033 nan 8.240 nan 0.000 0.438 77 V N -0.088 119.882 119.914 0.094 0.000 3.001 77 V HA 0.924 5.033 4.120 -0.018 0.000 0.314 77 V C -0.196 175.953 176.094 0.091 0.000 1.099 77 V CA -0.945 61.399 62.300 0.074 0.000 0.989 77 V CB 1.869 33.722 31.823 0.050 0.000 1.040 77 V HN 1.022 nan 8.190 nan 0.000 0.434 78 S N 1.345 117.081 115.700 0.061 0.000 2.498 78 S HA 0.421 4.880 4.470 -0.018 0.000 0.324 78 S C 0.692 175.319 174.600 0.046 0.000 1.071 78 S CA -0.060 58.177 58.200 0.061 0.000 1.113 78 S CB 0.988 64.207 63.200 0.033 0.000 0.976 78 S HN 1.891 nan 8.310 nan 0.000 0.462 79 V N 3.646 123.601 119.914 0.067 0.000 2.809 79 V HA 0.024 4.134 4.120 -0.018 0.000 0.256 79 V C 1.896 177.994 176.094 0.008 0.000 1.080 79 V CA 1.800 64.105 62.300 0.008 0.000 1.102 79 V CB -1.588 30.220 31.823 -0.025 0.000 0.705 79 V HN 0.779 nan 8.190 nan 0.000 0.475 80 T N 1.677 116.245 114.554 0.024 0.000 2.737 80 T HA -0.066 4.274 4.350 -0.018 0.000 0.265 80 T C 1.683 176.385 174.700 0.003 0.000 1.038 80 T CA 1.982 64.088 62.100 0.010 0.000 1.144 80 T CB -0.384 68.490 68.868 0.009 0.000 0.866 80 T HN 0.577 nan 8.240 nan 0.000 0.434 81 N N 0.328 119.031 118.700 0.005 0.000 2.353 81 N HA 0.148 4.877 4.740 -0.018 0.000 0.185 81 N C 1.303 176.813 175.510 -0.001 0.000 1.098 81 N CA 0.614 53.665 53.050 0.002 0.000 0.872 81 N CB 0.419 38.908 38.487 0.004 0.000 0.970 81 N HN 0.514 nan 8.380 nan 0.000 0.467 82 G N 1.733 110.532 108.800 -0.002 0.000 2.246 82 G HA2 -0.271 3.678 3.960 -0.018 0.000 0.273 82 G HA3 -0.271 3.678 3.960 -0.018 0.000 0.273 82 G C 0.184 175.082 174.900 -0.003 0.000 1.055 82 G CA 1.051 46.147 45.100 -0.008 0.000 0.851 82 G HN 0.520 nan 8.290 nan 0.000 0.500 83 T N -3.777 110.780 114.554 0.005 0.000 2.916 83 T HA 0.712 5.051 4.350 -0.018 0.000 0.292 83 T C -0.260 174.450 174.700 0.016 0.000 1.064 83 T CA -0.623 61.482 62.100 0.008 0.000 1.011 83 T CB 2.750 71.623 68.868 0.009 0.000 1.152 83 T HN 0.735 nan 8.240 nan 0.000 0.510 84 V N 2.665 122.589 119.914 0.017 0.000 2.385 84 V HA 0.300 4.409 4.120 -0.018 0.000 0.269 84 V C 1.155 177.264 176.094 0.026 0.000 1.043 84 V CA -0.443 61.873 62.300 0.026 0.000 0.906 84 V CB 0.485 32.323 31.823 0.025 0.000 0.995 84 V HN 0.878 nan 8.190 nan 0.000 0.467 85 I N 3.284 123.874 120.570 0.033 0.000 2.480 85 I HA 0.031 4.190 4.170 -0.018 0.000 0.251 85 I C 0.832 176.968 176.117 0.031 0.000 1.124 85 I CA 0.873 62.190 61.300 0.029 0.000 1.444 85 I CB 0.294 38.313 38.000 0.031 0.000 1.098 85 I HN 0.761 nan 8.210 nan 0.000 0.428 86 S N 0.109 115.834 115.700 0.041 0.000 2.542 86 S HA 0.780 5.239 4.470 -0.018 0.000 0.276 86 S C -0.937 173.696 174.600 0.056 0.000 1.148 86 S CA -0.732 57.494 58.200 0.043 0.000 0.886 86 S CB 2.032 65.258 63.200 0.044 0.000 1.109 86 S HN 0.154 nan 8.310 nan 0.000 0.458 87 A N 1.592 124.441 122.820 0.048 0.000 2.375 87 A HA 0.829 5.138 4.320 -0.018 0.000 0.295 87 A C -0.444 177.165 177.584 0.043 0.000 1.066 87 A CA -0.494 51.575 52.037 0.054 0.000 0.722 87 A CB 1.268 20.293 19.000 0.043 0.000 1.206 87 A HN 2.155 nan 8.150 nan 0.000 0.435 88 V N 0.173 120.116 119.914 0.049 0.000 2.656 88 V HA 0.699 4.808 4.120 -0.018 0.000 0.307 88 V C -0.246 175.851 176.094 0.005 0.000 1.051 88 V CA -0.722 61.594 62.300 0.026 0.000 0.893 88 V CB 1.560 33.402 31.823 0.032 0.000 0.999 88 V HN 0.959 nan 8.190 nan 0.000 0.426 89 E N 3.412 123.602 120.200 -0.016 0.000 2.338 89 E HA 0.450 4.789 4.350 -0.018 0.000 0.272 89 E C -1.081 175.471 176.600 -0.079 0.000 1.029 89 E CA -0.514 55.862 56.400 -0.040 0.000 0.872 89 E CB 1.081 30.760 29.700 -0.036 0.000 1.015 89 E HN 0.777 nan 8.360 nan 0.000 0.417 90 L N 3.807 124.952 121.223 -0.129 0.000 2.295 90 L HA 0.238 4.567 4.340 -0.018 0.000 0.285 90 L C -0.010 176.739 176.870 -0.201 0.000 1.035 90 L CA -0.631 54.072 54.840 -0.227 0.000 0.806 90 L CB 1.268 43.086 42.059 -0.401 0.000 1.214 90 L HN 0.522 nan 8.230 nan 0.000 0.426 91 D N 1.550 121.834 120.400 -0.193 0.000 2.518 91 D HA 0.049 4.679 4.640 -0.018 0.000 0.230 91 D C 1.390 177.585 176.300 -0.176 0.000 1.138 91 D CA -0.268 53.646 54.000 -0.143 0.000 0.964 91 D CB 0.954 41.696 40.800 -0.097 0.000 1.011 91 D HN 0.674 nan 8.370 nan 0.000 0.517 92 T N 0.153 114.589 114.554 -0.198 0.000 2.778 92 T HA -0.225 4.114 4.350 -0.018 0.000 0.269 92 T C 1.862 176.496 174.700 -0.110 0.000 1.050 92 T CA 1.156 63.135 62.100 -0.201 0.000 1.137 92 T CB -0.191 68.578 68.868 -0.165 0.000 0.860 92 T HN 0.239 nan 8.240 nan 0.000 0.468 93 A N 1.035 123.810 122.820 -0.075 0.000 2.125 93 A HA 0.465 4.774 4.320 -0.018 0.000 0.219 93 A C 2.534 180.105 177.584 -0.021 0.000 1.156 93 A CA 1.573 53.586 52.037 -0.041 0.000 0.671 93 A CB -0.901 18.078 19.000 -0.035 0.000 0.794 93 A HN 0.803 nan 8.150 nan 0.000 0.459 94 A N -1.069 121.732 122.820 -0.031 0.000 1.983 94 A HA 0.170 4.479 4.320 -0.018 0.000 0.207 94 A C 2.149 179.770 177.584 0.061 0.000 1.412 94 A CA 1.512 53.552 52.037 0.004 0.000 0.750 94 A CB -0.722 18.265 19.000 -0.021 0.000 1.047 94 A HN 0.630 nan 8.150 nan 0.000 0.504 95 T N -2.866 111.647 114.554 -0.068 0.000 3.129 95 T HA 0.464 4.803 4.350 -0.018 0.000 0.251 95 T C 0.885 175.348 174.700 -0.395 0.000 1.117 95 T CA 0.902 62.885 62.100 -0.195 0.000 1.034 95 T CB -0.201 68.544 68.868 -0.205 0.000 0.968 95 T HN 1.944 nan 8.240 nan 0.000 0.526 96 G N 0.616 109.309 108.800 -0.179 0.000 2.576 96 G HA2 0.065 4.014 3.960 -0.018 0.000 0.686 96 G HA3 0.065 4.014 3.960 -0.018 0.000 0.686 96 G C -1.140 173.635 174.900 -0.208 0.000 1.242 96 G CA -1.047 43.979 45.100 -0.124 0.000 0.819 96 G HN 0.211 nan 8.290 nan 0.000 0.655 97 E N -0.190 119.947 120.200 -0.104 0.000 2.345 97 E HA 0.478 4.818 4.350 -0.018 0.000 0.259 97 E C 1.120 177.675 176.600 -0.075 0.000 1.117 97 E CA -0.454 55.879 56.400 -0.111 0.000 0.913 97 E CB 0.981 30.643 29.700 -0.062 0.000 1.057 97 E HN 0.481 nan 8.360 nan 0.000 0.432 98 L N 2.088 123.273 121.223 -0.063 0.000 2.472 98 L HA 0.192 4.521 4.340 -0.018 0.000 0.260 98 L C -1.920 174.964 176.870 0.023 0.000 1.209 98 L CA -1.742 53.118 54.840 0.034 0.000 0.817 98 L CB -0.159 41.938 42.059 0.064 0.000 1.106 98 L HN 0.179 nan 8.230 nan 0.000 0.479 99 P HA -0.028 nan 4.420 nan 0.000 0.268 99 P C -0.689 176.603 177.300 -0.014 0.000 1.208 99 P CA -0.250 62.871 63.100 0.035 0.000 0.777 99 P CB 0.372 32.138 31.700 0.110 0.000 0.875 100 V N 3.362 123.246 119.914 -0.049 0.000 2.655 100 V HA -0.035 4.074 4.120 -0.018 0.000 0.300 100 V C 0.634 176.781 176.094 0.087 0.000 1.044 100 V CA 0.214 62.511 62.300 -0.005 0.000 1.095 100 V CB -0.213 31.592 31.823 -0.030 0.000 0.952 100 V HN 0.287 nan 8.190 nan 0.000 0.485 101 L N 3.589 124.831 121.223 0.032 0.000 2.350 101 L HA 0.297 4.626 4.340 -0.018 0.000 0.275 101 L C 1.513 178.356 176.870 -0.044 0.000 1.099 101 L CA 0.424 55.254 54.840 -0.016 0.000 0.808 101 L CB 0.467 42.480 42.059 -0.076 0.000 1.149 101 L HN 0.770 nan 8.230 nan 0.000 0.442 102 E N 1.460 121.535 120.200 -0.208 0.000 2.153 102 E HA -0.235 4.104 4.350 -0.018 0.000 0.194 102 E C 1.285 177.701 176.600 -0.307 0.000 0.988 102 E CA 1.384 57.435 56.400 -0.583 0.000 0.811 102 E CB 0.335 29.844 29.700 -0.318 0.000 0.746 102 E HN 0.804 nan 8.360 nan 0.000 0.466 103 E N -0.003 120.135 120.200 -0.103 0.000 2.418 103 E HA -0.168 4.172 4.350 -0.018 0.000 0.197 103 E C 1.378 178.031 176.600 0.088 0.000 1.026 103 E CA 0.839 57.243 56.400 0.007 0.000 0.862 103 E CB -0.026 29.681 29.700 0.012 0.000 0.799 103 E HN 0.350 nan 8.360 nan 0.000 0.518 104 E N -0.116 120.161 120.200 0.128 0.000 2.385 104 E HA -0.022 4.317 4.350 -0.018 0.000 0.194 104 E C 1.146 177.937 176.600 0.318 0.000 1.013 104 E CA -0.008 56.504 56.400 0.187 0.000 0.866 104 E CB -0.052 29.737 29.700 0.148 0.000 0.832 104 E HN 0.183 nan 8.360 nan 0.000 0.500 105 F N 2.476 122.486 119.950 0.100 0.000 2.043 105 F HA -0.266 4.250 4.527 -0.018 0.000 0.297 105 F C 2.427 178.275 175.800 0.079 0.000 1.118 105 F CA 1.892 59.960 58.000 0.113 0.000 1.202 105 F CB -0.982 38.098 39.000 0.132 0.000 0.965 105 F HN 0.146 nan 8.300 nan 0.000 0.482 106 E N -0.282 120.088 120.200 0.284 0.000 2.268 106 E HA -0.100 4.239 4.350 -0.018 0.000 0.195 106 E C 2.031 178.690 176.600 0.099 0.000 0.995 106 E CA 1.191 57.686 56.400 0.160 0.000 0.836 106 E CB -0.747 29.034 29.700 0.135 0.000 0.763 106 E HN 0.227 nan 8.360 nan 0.000 0.491 107 V N 1.541 121.517 119.914 0.103 0.000 2.392 107 V HA -0.279 3.830 4.120 -0.018 0.000 0.249 107 V C 2.429 178.528 176.094 0.008 0.000 1.059 107 V CA 1.605 63.939 62.300 0.057 0.000 1.051 107 V CB -0.316 31.547 31.823 0.066 0.000 0.658 107 V HN 0.243 nan 8.190 nan 0.000 0.455 108 V N -0.155 119.761 119.914 0.002 0.000 2.261 108 V HA -0.315 3.794 4.120 -0.018 0.000 0.246 108 V C 2.422 178.433 176.094 -0.138 0.000 1.047 108 V CA 2.454 64.710 62.300 -0.074 0.000 1.015 108 V CB -0.646 31.141 31.823 -0.060 0.000 0.642 108 V HN 0.652 nan 8.190 nan 0.000 0.446 109 E N -0.210 119.943 120.200 -0.077 0.000 2.077 109 E HA -0.269 4.070 4.350 -0.018 0.000 0.193 109 E C 2.312 178.870 176.600 -0.070 0.000 0.989 109 E CA 1.501 57.853 56.400 -0.079 0.000 0.800 109 E CB -0.081 29.624 29.700 0.008 0.000 0.746 109 E HN 0.697 nan 8.360 nan 0.000 0.452 110 Q N 0.172 119.956 119.800 -0.028 0.000 2.084 110 Q HA -0.169 4.160 4.340 -0.018 0.000 0.202 110 Q C 2.473 178.451 176.000 -0.037 0.000 0.978 110 Q CA 1.340 57.137 55.803 -0.011 0.000 0.844 110 Q CB -0.095 28.652 28.738 0.015 0.000 0.898 110 Q HN 0.364 nan 8.270 nan 0.000 0.426 111 L N 0.299 121.482 121.223 -0.067 0.000 2.027 111 L HA -0.194 4.135 4.340 -0.018 0.000 0.206 111 L C 2.328 179.122 176.870 -0.128 0.000 1.074 111 L CA 0.933 55.726 54.840 -0.079 0.000 0.745 111 L CB -0.357 41.652 42.059 -0.083 0.000 0.898 111 L HN 0.246 nan 8.230 nan 0.000 0.433 112 L N -0.405 120.658 121.223 -0.265 0.000 2.191 112 L HA -0.188 4.142 4.340 -0.018 0.000 0.212 112 L C 2.775 179.545 176.870 -0.167 0.000 1.103 112 L CA 0.878 55.442 54.840 -0.460 0.000 0.769 112 L CB -0.704 40.626 42.059 -1.214 0.000 0.908 112 L HN 0.250 nan 8.230 nan 0.000 0.438 113 A N -0.154 122.635 122.820 -0.052 0.000 2.076 113 A HA -0.186 4.123 4.320 -0.018 0.000 0.220 113 A C 2.099 179.741 177.584 0.096 0.000 1.160 113 A CA 2.118 54.212 52.037 0.094 0.000 0.653 113 A CB -0.695 18.342 19.000 0.061 0.000 0.801 113 A HN 0.518 nan 8.150 nan 0.000 0.455 114 T N -3.402 111.182 114.554 0.050 0.000 3.129 114 T HA 0.185 4.524 4.350 -0.018 0.000 0.267 114 T C 0.052 174.784 174.700 0.052 0.000 1.018 114 T CA -0.013 62.116 62.100 0.049 0.000 0.903 114 T CB -0.013 68.870 68.868 0.026 0.000 1.067 114 T HN 0.344 nan 8.240 nan 0.000 0.549 115 D N 1.704 122.148 120.400 0.072 0.000 2.313 115 D HA 0.135 4.765 4.640 -0.018 0.000 0.239 115 D C 0.701 177.074 176.300 0.122 0.000 1.142 115 D CA -0.134 53.912 54.000 0.078 0.000 0.847 115 D CB 1.328 42.161 40.800 0.055 0.000 1.082 115 D HN 0.292 nan 8.370 nan 0.000 0.480 116 E N 2.817 123.062 120.200 0.076 0.000 2.130 116 E HA -0.224 4.115 4.350 -0.018 0.000 0.196 116 E C 1.758 178.399 176.600 0.069 0.000 0.998 116 E CA 1.060 57.498 56.400 0.062 0.000 0.806 116 E CB 0.274 29.996 29.700 0.036 0.000 0.738 116 E HN 0.471 nan 8.360 nan 0.000 0.459 117 R N 0.100 120.649 120.500 0.081 0.000 2.081 117 R HA -0.120 4.209 4.340 -0.018 0.000 0.235 117 R C 2.205 178.576 176.300 0.120 0.000 1.131 117 R CA 1.385 57.530 56.100 0.075 0.000 0.960 117 R CB -0.315 30.025 30.300 0.068 0.000 0.856 117 R HN 0.412 nan 8.270 nan 0.000 0.436 118 W N 1.437 122.714 121.300 -0.038 0.000 2.379 118 W HA -0.138 4.511 4.660 -0.018 0.000 0.307 118 W C 1.456 177.959 176.519 -0.028 0.000 1.200 118 W CA 1.204 58.526 57.345 -0.037 0.000 1.297 118 W CB -0.128 29.311 29.460 -0.034 0.000 1.140 118 W HN 0.077 nan 8.180 nan 0.000 0.507 119 L N 0.842 122.135 121.223 0.116 0.000 2.083 119 L HA -0.256 4.073 4.340 -0.018 0.000 0.209 119 L C 2.594 179.421 176.870 -0.072 0.000 1.083 119 L CA 1.739 56.581 54.840 0.004 0.000 0.752 119 L CB -0.938 41.157 42.059 0.059 0.000 0.899 119 L HN -0.078 nan 8.230 nan 0.000 0.433 120 K N 0.425 120.797 120.400 -0.047 0.000 2.097 120 K HA -0.143 4.166 4.320 -0.018 0.000 0.205 120 K C 2.147 178.681 176.600 -0.110 0.000 1.050 120 K CA 1.156 57.407 56.287 -0.060 0.000 0.938 120 K CB -0.028 32.454 32.500 -0.030 0.000 0.718 120 K HN 0.255 nan 8.250 nan 0.000 0.442 121 A N 1.189 123.909 122.820 -0.166 0.000 1.930 121 A HA -0.073 4.236 4.320 -0.018 0.000 0.217 121 A C 2.047 179.461 177.584 -0.284 0.000 1.175 121 A CA 1.073 52.973 52.037 -0.228 0.000 0.627 121 A CB -0.459 18.356 19.000 -0.308 0.000 0.815 121 A HN 0.293 nan 8.150 nan 0.000 0.443 122 L N -0.950 120.055 121.223 -0.362 0.000 2.072 122 L HA -0.116 4.213 4.340 -0.018 0.000 0.205 122 L C 3.084 179.848 176.870 -0.176 0.000 1.079 122 L CA 0.931 55.583 54.840 -0.314 0.000 0.752 122 L CB -0.647 41.205 42.059 -0.344 0.000 0.906 122 L HN 0.416 nan 8.230 nan 0.000 0.436 123 A N 0.461 123.200 122.820 -0.135 0.000 1.908 123 A HA -0.181 4.128 4.320 -0.018 0.000 0.218 123 A C 2.507 180.043 177.584 -0.080 0.000 1.181 123 A CA 1.713 53.698 52.037 -0.086 0.000 0.627 123 A CB -0.690 18.273 19.000 -0.063 0.000 0.818 123 A HN 0.392 nan 8.150 nan 0.000 0.445 124 A N -0.601 122.165 122.820 -0.090 0.000 2.131 124 A HA -0.124 4.185 4.320 -0.018 0.000 0.220 124 A C 2.077 179.616 177.584 -0.075 0.000 1.158 124 A CA 1.475 53.466 52.037 -0.076 0.000 0.665 124 A CB -0.334 18.619 19.000 -0.078 0.000 0.795 124 A HN 0.571 nan 8.150 nan 0.000 0.460 125 R N -1.125 119.320 120.500 -0.091 0.000 2.397 125 R HA 0.120 4.450 4.340 -0.018 0.000 0.241 125 R C -0.263 175.995 176.300 -0.071 0.000 0.914 125 R CA 0.133 56.185 56.100 -0.081 0.000 1.071 125 R CB 0.244 30.483 30.300 -0.103 0.000 1.116 125 R HN 0.439 nan 8.270 nan 0.000 0.524 126 N N 0.940 119.599 118.700 -0.068 0.000 2.754 126 N HA -0.174 4.555 4.740 -0.018 0.000 0.248 126 N C -0.985 174.490 175.510 -0.058 0.000 1.093 126 N CA 0.932 53.949 53.050 -0.055 0.000 0.699 126 N CB -1.363 37.099 38.487 -0.043 0.000 1.016 126 N HN 0.267 nan 8.380 nan 0.000 0.552 127 L N 0.291 121.468 121.223 -0.076 0.000 2.309 127 L HA 0.341 4.670 4.340 -0.018 0.000 0.282 127 L C 0.651 177.485 176.870 -0.060 0.000 1.036 127 L CA -0.828 53.967 54.840 -0.075 0.000 0.806 127 L CB 1.425 43.422 42.059 -0.103 0.000 1.220 127 L HN -0.086 nan 8.230 nan 0.000 0.429 128 D N 2.124 122.502 120.400 -0.037 0.000 2.325 128 D HA 0.012 4.641 4.640 -0.018 0.000 0.251 128 D C 0.809 177.108 176.300 -0.002 0.000 1.196 128 D CA -0.004 53.986 54.000 -0.016 0.000 0.866 128 D CB 1.896 42.693 40.800 -0.006 0.000 1.101 128 D HN 0.300 nan 8.370 nan 0.000 0.476 129 V N 4.112 124.034 119.914 0.012 0.000 2.380 129 V HA -0.281 3.828 4.120 -0.018 0.000 0.251 129 V C 2.078 178.212 176.094 0.067 0.000 1.063 129 V CA 3.043 65.377 62.300 0.057 0.000 1.055 129 V CB -0.555 31.320 31.823 0.086 0.000 0.657 129 V HN 0.744 nan 8.190 nan 0.000 0.455 130 S N -0.983 114.744 115.700 0.045 0.000 2.469 130 S HA -0.144 4.315 4.470 -0.018 0.000 0.238 130 S C 1.678 176.299 174.600 0.036 0.000 0.998 130 S CA 1.332 59.557 58.200 0.042 0.000 0.957 130 S CB -0.405 62.815 63.200 0.033 0.000 0.764 130 S HN 0.765 nan 8.310 nan 0.000 0.514 131 K N 0.679 121.095 120.400 0.028 0.000 2.373 131 K HA 0.313 4.622 4.320 -0.018 0.000 0.202 131 K C -0.839 175.771 176.600 0.017 0.000 1.025 131 K CA -0.082 56.214 56.287 0.015 0.000 1.115 131 K CB 1.101 33.603 32.500 0.003 0.000 0.858 131 K HN 0.204 nan 8.250 nan 0.000 0.525 132 V N 3.314 123.256 119.914 0.046 0.000 2.333 132 V HA 0.223 4.332 4.120 -0.018 0.000 0.274 132 V C 0.152 176.309 176.094 0.104 0.000 1.028 132 V CA -0.804 61.541 62.300 0.075 0.000 0.851 132 V CB 0.808 32.695 31.823 0.106 0.000 1.000 132 V HN 0.157 nan 8.190 nan 0.000 0.456 133 R N 3.317 123.860 120.500 0.073 0.000 2.459 133 R HA 0.622 4.951 4.340 -0.018 0.000 0.281 133 R C -0.792 175.589 176.300 0.134 0.000 1.050 133 R CA -0.456 55.677 56.100 0.054 0.000 1.055 133 R CB 1.794 32.059 30.300 -0.058 0.000 1.045 133 R HN 0.451 nan 8.270 nan 0.000 0.495 134 V N 1.770 121.753 119.914 0.115 0.000 2.483 134 V HA 0.400 4.509 4.120 -0.018 0.000 0.297 134 V C 0.008 176.175 176.094 0.122 0.000 1.027 134 V CA -1.206 61.186 62.300 0.152 0.000 0.855 134 V CB 1.719 33.577 31.823 0.057 0.000 0.995 134 V HN 0.858 nan 8.190 nan 0.000 0.424 135 A N 7.440 130.392 122.820 0.220 0.000 2.354 135 A HA 0.634 4.943 4.320 -0.018 0.000 0.281 135 A C -2.154 175.507 177.584 0.128 0.000 1.174 135 A CA -1.333 50.816 52.037 0.186 0.000 0.828 135 A CB 0.163 19.397 19.000 0.390 0.000 1.099 135 A HN 0.608 nan 8.150 nan 0.000 0.516 136 P HA 0.276 nan 4.420 nan 0.000 0.273 136 P C -0.929 176.395 177.300 0.040 0.000 1.428 136 P CA 0.239 63.317 63.100 -0.037 0.000 0.995 136 P CB 0.181 31.779 31.700 -0.169 0.000 1.286 137 L N 2.483 123.801 121.223 0.157 0.000 2.322 137 L HA 0.364 4.693 4.340 -0.018 0.000 0.279 137 L C 1.257 178.291 176.870 0.274 0.000 1.036 137 L CA -0.834 54.180 54.840 0.290 0.000 0.807 137 L CB 1.183 43.497 42.059 0.425 0.000 1.226 137 L HN 0.276 nan 8.230 nan 0.000 0.433 138 S N 1.162 117.088 115.700 0.376 0.000 2.566 138 S HA 0.200 4.659 4.470 -0.018 0.000 0.280 138 S C 0.869 175.619 174.600 0.249 0.000 1.343 138 S CA -0.069 58.273 58.200 0.236 0.000 1.036 138 S CB 1.321 64.693 63.200 0.286 0.000 0.866 138 S HN 0.747 nan 8.310 nan 0.000 0.526 139 A N 2.618 125.511 122.820 0.121 0.000 2.044 139 A HA 0.588 4.897 4.320 -0.018 0.000 0.213 139 A C 1.531 179.259 177.584 0.241 0.000 1.169 139 A CA 0.613 52.688 52.037 0.062 0.000 0.724 139 A CB -1.423 17.521 19.000 -0.094 0.000 0.840 139 A HN 2.316 nan 8.150 nan 0.000 0.463 140 G N -1.553 107.361 108.800 0.192 0.000 2.645 140 G HA2 -0.059 3.890 3.960 -0.018 0.000 0.239 140 G HA3 -0.059 3.890 3.960 -0.018 0.000 0.239 140 G C -0.392 174.453 174.900 -0.091 0.000 1.331 140 G CA -0.196 44.967 45.100 0.106 0.000 0.890 140 G HN 1.110 nan 8.290 nan 0.000 0.572 141 V N 0.867 120.509 119.914 -0.453 0.000 2.482 141 V HA 0.770 4.880 4.120 -0.018 0.000 0.295 141 V C -0.206 175.405 176.094 -0.805 0.000 1.026 141 V CA -0.329 61.720 62.300 -0.418 0.000 0.856 141 V CB 1.163 32.805 31.823 -0.302 0.000 1.001 141 V HN 0.719 nan 8.190 nan 0.000 0.424 142 F N 1.602 121.562 119.950 0.016 0.000 3.305 142 F HA 0.464 4.980 4.527 -0.018 0.000 0.292 142 F C 1.310 177.027 175.800 -0.137 0.000 1.516 142 F CA -0.649 57.325 58.000 -0.042 0.000 1.010 142 F CB 0.443 39.434 39.000 -0.015 0.000 1.738 142 F HN 0.446 nan 8.300 nan 0.000 0.402 143 E N 0.679 120.821 120.200 -0.097 0.000 2.394 143 E HA 0.025 4.364 4.350 -0.018 0.000 0.191 143 E C -1.277 175.149 176.600 -0.289 0.000 1.044 143 E CA 0.064 56.337 56.400 -0.212 0.000 0.939 143 E CB -0.795 28.779 29.700 -0.209 0.000 1.089 143 E HN 0.485 nan 8.360 nan 0.000 0.456 144 Y N 0.872 121.220 120.300 0.080 0.000 2.535 144 Y HA 0.430 4.969 4.550 -0.018 0.000 0.349 144 Y C 1.550 177.468 175.900 0.030 0.000 0.992 144 Y CA -0.130 58.003 58.100 0.055 0.000 1.248 144 Y CB 1.165 39.648 38.460 0.038 0.000 1.124 144 Y HN 0.115 nan 8.280 nan 0.000 0.520 145 A N 2.732 125.633 122.820 0.135 0.000 1.940 145 A HA -0.207 4.102 4.320 -0.018 0.000 0.219 145 A C 2.202 179.834 177.584 0.079 0.000 1.176 145 A CA 1.811 53.896 52.037 0.080 0.000 0.631 145 A CB -0.283 18.750 19.000 0.055 0.000 0.814 145 A HN 0.774 nan 8.150 nan 0.000 0.446 146 E N 0.835 121.096 120.200 0.101 0.000 2.204 146 E HA -0.231 4.108 4.350 -0.018 0.000 0.195 146 E C 1.275 177.907 176.600 0.053 0.000 0.990 146 E CA 1.492 57.933 56.400 0.069 0.000 0.821 146 E CB -0.653 29.088 29.700 0.070 0.000 0.750 146 E HN 0.767 nan 8.360 nan 0.000 0.477 147 E N 0.838 121.081 120.200 0.072 0.000 2.409 147 E HA -0.036 4.304 4.350 -0.018 0.000 0.198 147 E C 0.295 176.907 176.600 0.020 0.000 1.024 147 E CA -0.039 56.383 56.400 0.037 0.000 0.861 147 E CB -0.140 29.588 29.700 0.047 0.000 0.788 147 E HN 0.202 nan 8.360 nan 0.000 0.521 148 R N 0.488 121.003 120.500 0.025 0.000 2.473 148 R HA 0.066 4.395 4.340 -0.018 0.000 0.315 148 R C 0.874 177.173 176.300 -0.001 0.000 0.972 148 R CA 0.713 56.817 56.100 0.007 0.000 1.047 148 R CB 0.052 30.356 30.300 0.007 0.000 0.932 148 R HN 0.270 nan 8.270 nan 0.000 0.411 149 G N 2.870 111.664 108.800 -0.011 0.000 2.143 149 G HA2 -0.316 3.633 3.960 -0.018 0.000 0.249 149 G HA3 -0.316 3.633 3.960 -0.018 0.000 0.249 149 G C -0.054 174.839 174.900 -0.011 0.000 0.981 149 G CA -0.208 44.882 45.100 -0.016 0.000 0.665 149 G HN 0.546 nan 8.290 nan 0.000 0.528 150 R N -0.466 120.029 120.500 -0.008 0.000 2.562 150 R HA 0.569 4.898 4.340 -0.018 0.000 0.298 150 R C 0.118 176.412 176.300 -0.010 0.000 0.961 150 R CA -1.004 55.093 56.100 -0.005 0.000 0.881 150 R CB 1.575 31.873 30.300 -0.004 0.000 1.159 150 R HN 0.170 nan 8.270 nan 0.000 0.450 151 R N 3.705 124.206 120.500 0.001 0.000 2.220 151 R HA 0.224 4.553 4.340 -0.018 0.000 0.340 151 R C -0.472 175.820 176.300 -0.014 0.000 1.076 151 R CA -0.152 55.947 56.100 -0.002 0.000 0.920 151 R CB 0.301 30.620 30.300 0.031 0.000 1.062 151 R HN 0.434 nan 8.270 nan 0.000 0.469 152 I N 5.500 126.049 120.570 -0.035 0.000 2.648 152 I HA 0.432 4.591 4.170 -0.018 0.000 0.304 152 I C -0.093 175.987 176.117 -0.061 0.000 1.009 152 I CA -0.952 60.314 61.300 -0.058 0.000 1.114 152 I CB 1.769 39.709 38.000 -0.100 0.000 1.293 152 I HN 0.603 nan 8.210 nan 0.000 0.449 153 L N 4.539 125.720 121.223 -0.069 0.000 2.445 153 L HA 0.508 4.837 4.340 -0.018 0.000 0.262 153 L C -0.427 176.382 176.870 -0.102 0.000 0.974 153 L CA -0.747 54.059 54.840 -0.056 0.000 0.822 153 L CB 2.796 44.848 42.059 -0.011 0.000 1.339 153 L HN 0.529 nan 8.230 nan 0.000 0.409 154 R N 0.855 121.271 120.500 -0.140 0.000 2.604 154 R HA 0.708 5.037 4.340 -0.018 0.000 0.287 154 R C -0.206 176.071 176.300 -0.037 0.000 0.970 154 R CA -0.744 55.235 56.100 -0.201 0.000 0.946 154 R CB 2.035 31.897 30.300 -0.730 0.000 1.127 154 R HN 0.731 nan 8.270 nan 0.000 0.473 155 G N 2.370 111.165 108.800 -0.009 0.000 2.530 155 G HA2 0.581 4.530 3.960 -0.018 0.000 0.316 155 G HA3 0.581 4.530 3.960 -0.018 0.000 0.316 155 G C -0.921 174.107 174.900 0.212 0.000 1.298 155 G CA -0.603 44.536 45.100 0.065 0.000 0.948 155 G HN 0.284 nan 8.290 nan 0.000 0.486 156 L N 1.572 122.994 121.223 0.331 0.000 2.346 156 L HA 0.697 5.026 4.340 -0.018 0.000 0.276 156 L C 0.521 177.527 176.870 0.227 0.000 1.006 156 L CA -0.993 54.041 54.840 0.323 0.000 0.817 156 L CB 2.148 44.486 42.059 0.465 0.000 1.272 156 L HN 0.633 nan 8.230 nan 0.000 0.421 157 A N 3.105 125.958 122.820 0.054 0.000 2.304 157 A HA 0.843 5.153 4.320 -0.018 0.000 0.301 157 A C -1.149 176.144 177.584 -0.484 0.000 1.132 157 A CA -0.146 51.895 52.037 0.007 0.000 0.819 157 A CB 0.474 19.553 19.000 0.132 0.000 1.094 157 A HN 0.516 nan 8.150 nan 0.000 0.492 158 F N 0.610 120.525 119.950 -0.058 0.000 2.581 158 F HA 0.432 4.948 4.527 -0.018 0.000 0.311 158 F C -0.160 175.581 175.800 -0.099 0.000 1.113 158 F CA -0.692 57.226 58.000 -0.137 0.000 0.935 158 F CB 2.302 41.090 39.000 -0.352 0.000 1.232 158 F HN 0.314 nan 8.300 nan 0.000 0.445 159 V N 2.656 122.638 119.914 0.113 0.000 2.465 159 V HA 0.310 4.419 4.120 -0.018 0.000 0.279 159 V C -0.356 175.777 176.094 0.065 0.000 1.045 159 V CA -0.501 61.830 62.300 0.053 0.000 0.938 159 V CB 1.408 33.222 31.823 -0.016 0.000 0.986 159 V HN 0.764 nan 8.190 nan 0.000 0.467 160 Q N 3.014 122.804 119.800 -0.016 0.000 2.381 160 Q HA 0.242 4.571 4.340 -0.018 0.000 0.263 160 Q C 0.083 176.029 176.000 -0.089 0.000 1.030 160 Q CA -0.618 55.136 55.803 -0.082 0.000 0.772 160 Q CB 1.223 29.884 28.738 -0.129 0.000 1.232 160 Q HN 0.768 nan 8.270 nan 0.000 0.476 161 D N 3.477 123.816 120.400 -0.101 0.000 2.218 161 D HA -0.031 4.598 4.640 -0.018 0.000 0.204 161 D C 0.075 176.509 176.300 0.224 0.000 0.976 161 D CA 1.260 55.294 54.000 0.057 0.000 0.853 161 D CB 0.100 41.025 40.800 0.208 0.000 0.939 161 D HN 0.436 nan 8.370 nan 0.000 0.481 162 F N -4.623 115.323 119.950 -0.006 0.000 2.713 162 F HA 0.364 4.880 4.527 -0.018 0.000 0.311 162 F C -2.476 173.316 175.800 -0.013 0.000 1.141 162 F CA -2.222 55.770 58.000 -0.013 0.000 0.939 162 F CB 0.465 39.452 39.000 -0.022 0.000 1.325 162 F HN -0.413 nan 8.300 nan 0.000 0.453 163 P HA -0.208 nan 4.420 nan 0.000 0.219 163 P C 0.391 177.674 177.300 -0.029 0.000 1.158 163 P CA 2.527 65.653 63.100 0.043 0.000 0.895 163 P CB 0.142 31.898 31.700 0.093 0.000 0.792 164 E N -1.531 118.684 120.200 0.026 0.000 2.444 164 E HA 0.053 4.392 4.350 -0.018 0.000 0.191 164 E C -0.014 176.406 176.600 -0.300 0.000 1.041 164 E CA -0.246 56.127 56.400 -0.044 0.000 0.883 164 E CB -0.190 29.573 29.700 0.105 0.000 1.024 164 E HN 0.303 nan 8.360 nan 0.000 0.470 165 D N 0.848 120.775 120.400 -0.789 0.000 2.345 165 D HA -0.005 4.625 4.640 -0.018 0.000 0.247 165 D C -0.474 175.576 176.300 -0.416 0.000 1.108 165 D CA 0.021 53.446 54.000 -0.958 0.000 0.894 165 D CB 1.137 41.051 40.800 -1.476 0.000 1.203 165 D HN -0.171 nan 8.370 nan 0.000 0.430 166 S N 2.613 118.150 115.700 -0.271 0.000 2.416 166 S HA 0.370 4.829 4.470 -0.018 0.000 0.302 166 S C 1.113 175.626 174.600 -0.144 0.000 1.120 166 S CA -0.221 57.900 58.200 -0.132 0.000 1.067 166 S CB 0.202 63.371 63.200 -0.051 0.000 1.057 166 S HN 0.514 nan 8.310 nan 0.000 0.518 167 A N 5.032 127.663 122.820 -0.316 0.000 2.070 167 A HA -0.021 4.288 4.320 -0.018 0.000 0.220 167 A C 1.411 178.822 177.584 -0.288 0.000 1.159 167 A CA 0.820 52.669 52.037 -0.313 0.000 0.656 167 A CB -0.693 18.025 19.000 -0.470 0.000 0.800 167 A HN 0.997 nan 8.150 nan 0.000 0.453 168 W N -0.224 121.029 121.300 -0.079 0.000 2.421 168 W HA 0.025 4.674 4.660 -0.018 0.000 0.270 168 W C 2.340 178.971 176.519 0.187 0.000 1.233 168 W CA 0.728 58.036 57.345 -0.063 0.000 1.226 168 W CB -0.111 29.306 29.460 -0.072 0.000 1.121 168 W HN 0.365 nan 8.180 nan 0.000 0.579 169 A N -0.727 122.264 122.820 0.285 0.000 2.167 169 A HA -0.044 4.265 4.320 -0.018 0.000 0.214 169 A C 0.559 177.991 177.584 -0.255 0.000 1.151 169 A CA 0.757 52.866 52.037 0.119 0.000 0.735 169 A CB -0.556 18.446 19.000 0.005 0.000 0.802 169 A HN 0.305 nan 8.150 nan 0.000 0.467 170 H N -0.022 119.171 119.070 0.205 0.000 2.355 170 H HA 0.248 4.793 4.556 -0.018 0.000 0.232 170 H C -2.885 172.472 175.328 0.048 0.000 1.422 170 H CA -2.410 53.700 56.048 0.104 0.000 1.261 170 H CB -0.286 29.515 29.762 0.065 0.000 1.595 170 H HN 0.357 nan 8.280 nan 0.000 0.529 171 P HA 0.007 nan 4.420 nan 0.000 0.271 171 P C 0.291 177.423 177.300 -0.279 0.000 1.218 171 P CA -0.249 62.662 63.100 -0.314 0.000 0.780 171 P CB 1.960 33.517 31.700 -0.237 0.000 0.901 172 V N 3.519 123.185 119.914 -0.415 0.000 2.240 172 V HA 0.141 4.250 4.120 -0.018 0.000 0.265 172 V C 0.689 176.618 176.094 -0.274 0.000 1.073 172 V CA -0.308 61.837 62.300 -0.258 0.000 0.857 172 V CB 0.245 31.926 31.823 -0.238 0.000 1.114 172 V HN 0.540 nan 8.190 nan 0.000 0.469 173 D N 2.933 123.164 120.400 -0.282 0.000 2.371 173 D HA 0.356 4.985 4.640 -0.018 0.000 0.242 173 D C 1.360 177.445 176.300 -0.359 0.000 1.218 173 D CA 1.442 55.164 54.000 -0.464 0.000 0.945 173 D CB 1.662 41.941 40.800 -0.868 0.000 1.137 173 D HN 0.730 nan 8.370 nan 0.000 0.464 174 G N 0.055 108.596 108.800 -0.432 0.000 2.162 174 G HA2 -0.231 3.719 3.960 -0.018 0.000 0.260 174 G HA3 -0.231 3.719 3.960 -0.018 0.000 0.260 174 G C -0.055 174.849 174.900 0.008 0.000 0.976 174 G CA 0.711 45.800 45.100 -0.019 0.000 0.655 174 G HN 0.479 nan 8.290 nan 0.000 0.533 175 L N -0.225 120.970 121.223 -0.048 0.000 2.431 175 L HA 0.931 5.260 4.340 -0.018 0.000 0.266 175 L C -0.690 176.235 176.870 0.091 0.000 0.978 175 L CA -1.041 53.788 54.840 -0.018 0.000 0.822 175 L CB 2.422 44.394 42.059 -0.145 0.000 1.310 175 L HN 0.649 nan 8.230 nan 0.000 0.409 176 V N 3.688 123.690 119.914 0.145 0.000 3.077 176 V HA 0.967 5.077 4.120 -0.018 0.000 0.299 176 V C -1.517 174.600 176.094 0.037 0.000 1.276 176 V CA 0.321 62.730 62.300 0.182 0.000 0.993 176 V CB 2.121 34.069 31.823 0.208 0.000 1.076 176 V HN 1.238 nan 8.190 nan 0.000 0.434 177 A N 4.611 127.417 122.820 -0.023 0.000 2.475 177 A HA 0.948 5.258 4.320 -0.018 0.000 0.301 177 A C -2.099 175.396 177.584 -0.147 0.000 1.059 177 A CA -0.457 51.448 52.037 -0.220 0.000 0.710 177 A CB 1.751 20.611 19.000 -0.232 0.000 1.288 177 A HN 0.859 nan 8.150 nan 0.000 0.408 178 Y N 0.445 120.595 120.300 -0.251 0.000 2.352 178 Y HA 0.601 5.140 4.550 -0.018 0.000 0.339 178 Y C -0.054 175.718 175.900 -0.214 0.000 0.992 178 Y CA -1.605 56.323 58.100 -0.286 0.000 1.100 178 Y CB 1.641 39.887 38.460 -0.357 0.000 1.192 178 Y HN 0.363 nan 8.280 nan 0.000 0.458 179 V N 3.087 122.985 119.914 -0.027 0.000 2.656 179 V HA 0.253 4.362 4.120 -0.018 0.000 0.307 179 V C -0.615 175.456 176.094 -0.038 0.000 1.051 179 V CA -1.066 61.201 62.300 -0.055 0.000 0.893 179 V CB 2.238 34.007 31.823 -0.089 0.000 0.999 179 V HN 0.655 nan 8.190 nan 0.000 0.426 180 D N 3.168 123.552 120.400 -0.027 0.000 2.411 180 D HA 0.156 4.785 4.640 -0.018 0.000 0.225 180 D C 1.009 177.308 176.300 -0.002 0.000 1.156 180 D CA -0.204 53.789 54.000 -0.012 0.000 0.874 180 D CB 1.895 42.691 40.800 -0.006 0.000 1.034 180 D HN 0.450 nan 8.370 nan 0.000 0.502 181 V N 2.342 122.261 119.914 0.009 0.000 3.141 181 V HA -0.081 4.028 4.120 -0.018 0.000 0.265 181 V C 1.572 177.697 176.094 0.052 0.000 1.126 181 V CA 0.646 62.963 62.300 0.028 0.000 1.141 181 V CB -0.264 31.581 31.823 0.038 0.000 0.743 181 V HN 0.367 nan 8.190 nan 0.000 0.492 182 V N 1.450 121.396 119.914 0.053 0.000 2.492 182 V HA -0.047 4.062 4.120 -0.018 0.000 0.241 182 V C 2.796 178.911 176.094 0.035 0.000 1.041 182 V CA 1.801 64.139 62.300 0.064 0.000 1.057 182 V CB 0.118 31.984 31.823 0.071 0.000 0.711 182 V HN 0.735 nan 8.190 nan 0.000 0.468 183 S N -1.110 114.603 115.700 0.021 0.000 2.561 183 S HA -0.040 4.420 4.470 -0.018 0.000 0.225 183 S C 0.948 175.554 174.600 0.010 0.000 0.977 183 S CA 0.319 58.526 58.200 0.012 0.000 0.926 183 S CB -0.209 62.995 63.200 0.007 0.000 0.769 183 S HN 0.393 nan 8.310 nan 0.000 0.533 184 K N 1.050 121.457 120.400 0.010 0.000 3.162 184 K HA -0.120 4.189 4.320 -0.018 0.000 0.268 184 K C -0.877 175.718 176.600 -0.007 0.000 1.062 184 K CA 0.852 57.141 56.287 0.003 0.000 0.769 184 K CB -2.105 30.400 32.500 0.009 0.000 1.274 184 K HN 0.781 nan 8.250 nan 0.000 0.478 185 E N -0.808 119.385 120.200 -0.012 0.000 2.238 185 E HA 0.450 4.789 4.350 -0.018 0.000 0.267 185 E C -0.662 175.918 176.600 -0.033 0.000 0.887 185 E CA -1.201 55.188 56.400 -0.018 0.000 0.769 185 E CB 2.180 31.875 29.700 -0.010 0.000 1.187 185 E HN -0.054 nan 8.360 nan 0.000 0.416 186 V N 3.067 122.956 119.914 -0.042 0.000 2.334 186 V HA 0.018 4.128 4.120 -0.018 0.000 0.267 186 V C 1.341 177.408 176.094 -0.045 0.000 1.040 186 V CA 0.092 62.354 62.300 -0.063 0.000 0.866 186 V CB 0.546 32.322 31.823 -0.080 0.000 1.019 186 V HN 0.950 nan 8.190 nan 0.000 0.468 187 T N 2.930 117.463 114.554 -0.036 0.000 2.812 187 T HA 0.093 4.432 4.350 -0.018 0.000 0.264 187 T C 0.817 175.487 174.700 -0.050 0.000 1.042 187 T CA 0.627 62.715 62.100 -0.021 0.000 1.140 187 T CB 0.218 69.090 68.868 0.006 0.000 0.870 187 T HN 0.543 nan 8.240 nan 0.000 0.445 188 R N -0.517 119.910 120.500 -0.121 0.000 2.707 188 R HA 0.677 5.006 4.340 -0.018 0.000 0.272 188 R C -2.112 173.997 176.300 -0.318 0.000 1.011 188 R CA -0.794 55.164 56.100 -0.236 0.000 0.893 188 R CB 2.823 32.899 30.300 -0.373 0.000 1.233 188 R HN 0.045 nan 8.270 nan 0.000 0.464 189 V N 3.857 123.641 119.914 -0.217 0.000 2.462 189 V HA 0.414 4.523 4.120 -0.018 0.000 0.288 189 V C -0.417 175.604 176.094 -0.122 0.000 1.020 189 V CA -0.546 61.685 62.300 -0.116 0.000 0.857 189 V CB 1.641 33.493 31.823 0.047 0.000 1.013 189 V HN 0.576 nan 8.190 nan 0.000 0.431 190 I N 4.082 124.551 120.570 -0.169 0.000 2.336 190 I HA 0.474 4.633 4.170 -0.018 0.000 0.292 190 I C -0.587 175.513 176.117 -0.029 0.000 0.991 190 I CA -0.105 61.134 61.300 -0.103 0.000 1.227 190 I CB 1.596 39.517 38.000 -0.131 0.000 1.366 190 I HN 0.495 nan 8.210 nan 0.000 0.466 191 D N 4.818 125.211 120.400 -0.013 0.000 2.469 191 D HA 0.146 4.775 4.640 -0.018 0.000 0.251 191 D C 0.672 176.988 176.300 0.026 0.000 1.173 191 D CA -0.348 53.651 54.000 -0.001 0.000 0.882 191 D CB 1.559 42.343 40.800 -0.027 0.000 1.129 191 D HN 0.629 nan 8.370 nan 0.000 0.549 192 T N 0.408 115.002 114.554 0.068 0.000 3.144 192 T HA 0.504 4.843 4.350 -0.018 0.000 0.249 192 T C 0.866 175.628 174.700 0.104 0.000 1.089 192 T CA 0.220 62.374 62.100 0.091 0.000 0.989 192 T CB 0.142 69.085 68.868 0.126 0.000 0.992 192 T HN 0.582 nan 8.240 nan 0.000 0.540 193 G N 0.239 109.097 108.800 0.095 0.000 2.316 193 G HA2 0.258 4.207 3.960 -0.018 0.000 0.468 193 G HA3 0.258 4.207 3.960 -0.018 0.000 0.468 193 G C -1.257 173.691 174.900 0.079 0.000 1.523 193 G CA -0.509 44.603 45.100 0.020 0.000 0.972 193 G HN 0.631 nan 8.290 nan 0.000 0.667 194 V N 1.521 121.412 119.914 -0.038 0.000 2.432 194 V HA 0.764 4.873 4.120 -0.018 0.000 0.271 194 V C -0.477 175.589 176.094 -0.048 0.000 1.046 194 V CA -0.566 61.741 62.300 0.011 0.000 0.945 194 V CB 0.038 31.836 31.823 -0.042 0.000 0.992 194 V HN 0.637 nan 8.190 nan 0.000 0.471 195 F N 6.399 126.307 119.950 -0.070 0.000 2.458 195 F HA 0.662 5.179 4.527 -0.018 0.000 0.330 195 F C -1.758 174.011 175.800 -0.053 0.000 1.082 195 F CA -2.537 55.427 58.000 -0.059 0.000 0.995 195 F CB 1.111 40.074 39.000 -0.062 0.000 1.170 195 F HN 0.395 nan 8.300 nan 0.000 0.478 196 P HA 0.130 nan 4.420 nan 0.000 0.268 196 P C -0.892 176.458 177.300 0.083 0.000 1.205 196 P CA -0.198 62.946 63.100 0.072 0.000 0.771 196 P CB 0.569 32.303 31.700 0.055 0.000 0.858 197 V N 6.357 126.301 119.914 0.049 0.000 2.408 197 V HA 0.156 4.265 4.120 -0.018 0.000 0.267 197 V C -1.864 174.286 176.094 0.094 0.000 1.047 197 V CA -1.548 60.782 62.300 0.051 0.000 0.937 197 V CB 0.405 32.238 31.823 0.018 0.000 0.999 197 V HN 0.593 nan 8.190 nan 0.000 0.472 198 P HA -0.065 nan 4.420 nan 0.000 0.259 198 P C 0.561 178.005 177.300 0.240 0.000 1.155 198 P CA 0.577 63.752 63.100 0.125 0.000 0.759 198 P CB 0.635 32.370 31.700 0.058 0.000 0.753 199 A N 3.940 126.864 122.820 0.174 0.000 1.898 199 A HA -0.070 4.239 4.320 -0.018 0.000 0.214 199 A C 0.860 178.619 177.584 0.290 0.000 1.183 199 A CA 0.757 52.911 52.037 0.195 0.000 0.622 199 A CB -0.534 18.532 19.000 0.111 0.000 0.824 199 A HN 0.568 nan 8.150 nan 0.000 0.444 200 E N 0.457 120.782 120.200 0.208 0.000 2.413 200 E HA 0.216 4.555 4.350 -0.018 0.000 0.263 200 E C -0.220 176.533 176.600 0.255 0.000 1.015 200 E CA 0.041 56.547 56.400 0.176 0.000 0.916 200 E CB 0.305 30.064 29.700 0.098 0.000 0.947 200 E HN 0.770 nan 8.360 nan 0.000 0.440 201 H N -0.482 118.749 119.070 0.268 0.000 2.508 201 H HA 0.485 5.031 4.556 -0.018 0.000 0.358 201 H C 0.437 175.861 175.328 0.160 0.000 1.212 201 H CA -0.886 55.286 56.048 0.206 0.000 1.356 201 H CB 1.131 31.044 29.762 0.250 0.000 1.525 201 H HN 0.477 nan 8.280 nan 0.000 0.578 202 G N 1.295 110.255 108.800 0.267 0.000 4.637 202 G HA2 0.062 4.011 3.960 -0.018 0.000 0.294 202 G HA3 0.062 4.011 3.960 -0.018 0.000 0.294 202 G C -0.701 174.172 174.900 -0.045 0.000 1.215 202 G CA -0.688 44.416 45.100 0.008 0.000 0.943 202 G HN 0.633 nan 8.290 nan 0.000 0.572 203 N N 1.752 120.583 118.700 0.218 0.000 2.555 203 N HA 0.102 4.831 4.740 -0.018 0.000 0.244 203 N C 0.776 176.198 175.510 -0.146 0.000 1.114 203 N CA -0.414 52.539 53.050 -0.160 0.000 0.963 203 N CB 0.626 39.023 38.487 -0.151 0.000 1.276 203 N HN 0.554 nan 8.380 nan 0.000 0.510 204 Y N -0.281 120.005 120.300 -0.024 0.000 2.680 204 Y HA -0.014 4.525 4.550 -0.018 0.000 0.303 204 Y C 1.699 177.593 175.900 -0.011 0.000 1.166 204 Y CA 0.259 58.332 58.100 -0.044 0.000 1.344 204 Y CB -0.691 37.705 38.460 -0.107 0.000 1.002 204 Y HN 0.288 nan 8.280 nan 0.000 0.537 205 T N -4.158 110.363 114.554 -0.056 0.000 3.054 205 T HA 0.078 4.417 4.350 -0.018 0.000 0.255 205 T C 0.010 174.711 174.700 0.003 0.000 1.035 205 T CA -0.180 61.930 62.100 0.017 0.000 0.941 205 T CB -0.138 68.724 68.868 -0.011 0.000 1.026 205 T HN 0.191 nan 8.240 nan 0.000 0.533 206 D N 3.383 123.782 120.400 -0.002 0.000 2.316 206 D HA 0.230 4.859 4.640 -0.018 0.000 0.245 206 D C -1.094 175.237 176.300 0.052 0.000 1.171 206 D CA -2.565 51.441 54.000 0.010 0.000 0.856 206 D CB 1.887 42.672 40.800 -0.024 0.000 1.090 206 D HN 0.007 nan 8.370 nan 0.000 0.476 207 P HA -0.223 nan 4.420 nan 0.000 0.218 207 P C 1.075 178.409 177.300 0.057 0.000 1.146 207 P CA 0.978 64.102 63.100 0.040 0.000 0.820 207 P CB 0.314 32.028 31.700 0.024 0.000 0.778 208 E N -0.742 119.503 120.200 0.074 0.000 2.265 208 E HA -0.175 4.164 4.350 -0.018 0.000 0.196 208 E C 1.717 178.389 176.600 0.120 0.000 0.996 208 E CA 0.637 57.098 56.400 0.101 0.000 0.832 208 E CB -0.225 29.560 29.700 0.142 0.000 0.756 208 E HN 0.130 nan 8.360 nan 0.000 0.491 209 L N -0.269 121.037 121.223 0.138 0.000 2.500 209 L HA 0.078 4.407 4.340 -0.018 0.000 0.219 209 L C 2.290 179.204 176.870 0.074 0.000 1.057 209 L CA 1.522 56.428 54.840 0.111 0.000 0.854 209 L CB 0.071 42.230 42.059 0.167 0.000 1.078 209 L HN 0.208 nan 8.230 nan 0.000 0.480 210 T N -2.918 111.679 114.554 0.072 0.000 3.035 210 T HA 0.418 4.757 4.350 -0.018 0.000 0.259 210 T C 1.184 175.909 174.700 0.042 0.000 1.078 210 T CA 0.458 62.591 62.100 0.054 0.000 1.132 210 T CB -0.531 68.371 68.868 0.055 0.000 0.900 210 T HN 0.630 nan 8.240 nan 0.000 0.480 211 G N 2.544 111.370 108.800 0.042 0.000 2.750 211 G HA2 -0.086 3.863 3.960 -0.018 0.000 0.228 211 G HA3 -0.086 3.863 3.960 -0.018 0.000 0.228 211 G C -2.675 172.241 174.900 0.027 0.000 1.367 211 G CA -0.527 44.593 45.100 0.033 0.000 0.871 211 G HN 0.582 nan 8.290 nan 0.000 0.560 212 P HA 0.312 nan 4.420 nan 0.000 0.268 212 P C 0.416 177.727 177.300 0.017 0.000 1.204 212 P CA -0.032 63.079 63.100 0.018 0.000 0.768 212 P CB 0.458 32.167 31.700 0.015 0.000 0.842 213 L N 3.752 124.984 121.223 0.016 0.000 2.416 213 L HA 0.187 4.517 4.340 -0.018 0.000 0.272 213 L C 1.435 178.312 176.870 0.012 0.000 1.161 213 L CA -0.391 54.459 54.840 0.015 0.000 0.845 213 L CB 0.006 42.074 42.059 0.015 0.000 1.119 213 L HN 0.350 nan 8.230 nan 0.000 0.464 214 R N 0.869 121.375 120.500 0.010 0.000 2.640 214 R HA 0.028 4.357 4.340 -0.018 0.000 0.270 214 R C 0.861 177.165 176.300 0.006 0.000 1.024 214 R CA 0.522 56.626 56.100 0.008 0.000 1.085 214 R CB 0.138 30.441 30.300 0.006 0.000 0.963 214 R HN 0.731 nan 8.270 nan 0.000 0.426 215 T N -3.703 110.854 114.554 0.005 0.000 3.145 215 T HA 0.009 4.348 4.350 -0.018 0.000 0.281 215 T C 1.199 175.901 174.700 0.003 0.000 1.003 215 T CA 0.055 62.158 62.100 0.005 0.000 0.901 215 T CB 0.341 69.212 68.868 0.005 0.000 1.112 215 T HN 0.663 nan 8.240 nan 0.000 0.535 216 T N -0.573 113.983 114.554 0.003 0.000 3.067 216 T HA 0.144 4.484 4.350 -0.018 0.000 0.257 216 T C 0.764 175.464 174.700 0.000 0.000 1.105 216 T CA -0.095 62.006 62.100 0.001 0.000 1.104 216 T CB -0.336 68.533 68.868 0.001 0.000 0.925 216 T HN 0.420 nan 8.240 nan 0.000 0.498 217 Q N 1.871 121.671 119.800 0.001 0.000 2.307 217 Q HA 0.338 4.667 4.340 -0.018 0.000 0.261 217 Q C -0.724 175.276 176.000 0.000 0.000 1.051 217 Q CA -0.200 55.603 55.803 -0.000 0.000 0.911 217 Q CB 0.760 29.498 28.738 -0.000 0.000 1.227 217 Q HN 0.131 nan 8.270 nan 0.000 0.418 218 K N 3.599 123.999 120.400 -0.000 0.000 2.118 218 K HA 0.304 4.613 4.320 -0.018 0.000 0.264 218 K C -2.067 174.533 176.600 0.001 0.000 1.000 218 K CA -1.559 54.728 56.287 0.000 0.000 0.929 218 K CB 0.261 32.760 32.500 -0.001 0.000 1.021 218 K HN 0.410 nan 8.250 nan 0.000 0.463 219 P HA 0.193 nan 4.420 nan 0.000 0.271 219 P C -0.736 176.566 177.300 0.003 0.000 1.218 219 P CA -0.021 63.081 63.100 0.003 0.000 0.780 219 P CB 0.611 32.314 31.700 0.004 0.000 0.901 220 I N 1.063 121.636 120.570 0.004 0.000 2.410 220 I HA 0.144 4.303 4.170 -0.018 0.000 0.286 220 I C 0.342 176.464 176.117 0.008 0.000 1.009 220 I CA -0.578 60.725 61.300 0.006 0.000 1.111 220 I CB 1.786 39.789 38.000 0.005 0.000 1.262 220 I HN 0.282 nan 8.210 nan 0.000 0.443 221 S N 7.707 123.413 115.700 0.009 0.000 2.422 221 S HA 0.605 5.064 4.470 -0.018 0.000 0.298 221 S C -0.518 174.091 174.600 0.016 0.000 1.118 221 S CA -0.443 57.764 58.200 0.012 0.000 1.083 221 S CB 0.186 63.393 63.200 0.011 0.000 0.971 221 S HN 0.438 nan 8.310 nan 0.000 0.478 222 I N 5.461 126.042 120.570 0.018 0.000 2.382 222 I HA 0.376 4.535 4.170 -0.018 0.000 0.285 222 I C 0.149 176.281 176.117 0.025 0.000 1.007 222 I CA -0.362 60.953 61.300 0.025 0.000 1.142 222 I CB 1.704 39.721 38.000 0.029 0.000 1.289 222 I HN 0.661 nan 8.210 nan 0.000 0.453 223 T N 1.822 116.394 114.554 0.029 0.000 2.864 223 T HA 0.496 4.835 4.350 -0.018 0.000 0.299 223 T C -0.813 173.906 174.700 0.032 0.000 1.166 223 T CA -0.936 61.180 62.100 0.026 0.000 1.007 223 T CB 2.226 71.105 68.868 0.019 0.000 1.219 223 T HN 0.477 nan 8.240 nan 0.000 0.506 224 Q N 1.121 120.937 119.800 0.026 0.000 2.558 224 Q HA 0.267 4.596 4.340 -0.018 0.000 0.252 224 Q C -2.177 173.830 176.000 0.012 0.000 1.015 224 Q CA -1.941 53.877 55.803 0.025 0.000 0.720 224 Q CB 1.761 30.515 28.738 0.026 0.000 1.215 224 Q HN 0.492 nan 8.270 nan 0.000 0.500 225 P HA -0.237 nan 4.420 nan 0.000 0.217 225 P C 0.186 177.487 177.300 0.002 0.000 1.158 225 P CA 1.545 64.650 63.100 0.008 0.000 0.887 225 P CB 0.336 32.041 31.700 0.010 0.000 0.792 226 E N -0.872 119.328 120.200 0.001 0.000 2.419 226 E HA 0.362 4.701 4.350 -0.018 0.000 0.190 226 E C 0.829 177.417 176.600 -0.020 0.000 1.040 226 E CA 0.024 56.420 56.400 -0.006 0.000 0.900 226 E CB -0.116 29.583 29.700 -0.002 0.000 1.054 226 E HN 0.177 nan 8.360 nan 0.000 0.462 227 G N 2.874 111.658 108.800 -0.026 0.000 2.796 227 G HA2 -0.192 3.758 3.960 -0.018 0.000 0.571 227 G HA3 -0.192 3.758 3.960 -0.018 0.000 0.571 227 G C -2.715 172.132 174.900 -0.087 0.000 1.370 227 G CA -0.914 44.150 45.100 -0.061 0.000 0.856 227 G HN 0.025 nan 8.290 nan 0.000 0.538 228 P HA 0.360 nan 4.420 nan 0.000 0.274 228 P C 0.594 177.767 177.300 -0.213 0.000 1.246 228 P CA 0.069 62.996 63.100 -0.288 0.000 0.795 228 P CB 1.265 32.463 31.700 -0.837 0.000 1.006 229 S N -0.028 115.679 115.700 0.012 0.000 2.558 229 S HA 0.111 4.570 4.470 -0.018 0.000 0.217 229 S C 0.694 175.458 174.600 0.272 0.000 0.975 229 S CA 0.146 58.439 58.200 0.155 0.000 0.912 229 S CB -0.752 62.614 63.200 0.276 0.000 0.776 229 S HN 0.566 nan 8.310 nan 0.000 0.526 230 F N 1.903 122.045 119.950 0.319 0.000 2.440 230 F HA 0.764 5.280 4.527 -0.018 0.000 0.328 230 F C 0.094 175.979 175.800 0.142 0.000 1.070 230 F CA -1.150 57.021 58.000 0.286 0.000 1.011 230 F CB 0.404 39.543 39.000 0.233 0.000 1.226 230 F HN -0.141 nan 8.300 nan 0.000 0.491 231 T N -0.254 114.505 114.554 0.342 0.000 2.887 231 T HA 0.755 5.094 4.350 -0.018 0.000 0.288 231 T C -1.189 173.676 174.700 0.276 0.000 1.021 231 T CA -0.814 61.413 62.100 0.212 0.000 1.000 231 T CB 1.519 70.472 68.868 0.143 0.000 1.034 231 T HN 0.688 nan 8.240 nan 0.000 0.467 232 V N 3.169 123.215 119.914 0.220 0.000 2.407 232 V HA 0.712 4.821 4.120 -0.018 0.000 0.291 232 V C 0.305 176.492 176.094 0.155 0.000 1.018 232 V CA -0.645 61.770 62.300 0.191 0.000 0.842 232 V CB 1.301 33.240 31.823 0.194 0.000 0.996 232 V HN 1.304 nan 8.190 nan 0.000 0.426 233 T N 0.110 114.771 114.554 0.179 0.000 2.906 233 T HA 0.692 5.031 4.350 -0.018 0.000 0.295 233 T C 0.825 175.614 174.700 0.149 0.000 1.075 233 T CA -0.041 62.149 62.100 0.151 0.000 1.005 233 T CB 1.799 70.756 68.868 0.149 0.000 1.136 233 T HN 1.753 nan 8.240 nan 0.000 0.498 234 G N -0.168 108.690 108.800 0.097 0.000 2.187 234 G HA2 0.104 4.053 3.960 -0.018 0.000 0.261 234 G HA3 0.104 4.053 3.960 -0.018 0.000 0.261 234 G C 1.332 176.284 174.900 0.087 0.000 1.000 234 G CA 1.003 46.151 45.100 0.081 0.000 0.718 234 G HN 2.427 nan 8.290 nan 0.000 0.519 235 G N -0.122 108.731 108.800 0.088 0.000 2.417 235 G HA2 -0.259 3.690 3.960 -0.018 0.000 0.233 235 G HA3 -0.259 3.690 3.960 -0.018 0.000 0.233 235 G C 0.850 175.800 174.900 0.084 0.000 1.103 235 G CA 1.302 46.449 45.100 0.078 0.000 0.647 235 G HN 2.209 nan 8.290 nan 0.000 0.512 236 N N -0.238 118.524 118.700 0.103 0.000 2.110 236 N HA 0.170 4.899 4.740 -0.018 0.000 0.230 236 N C -0.304 175.267 175.510 0.102 0.000 1.353 236 N CA 0.329 53.431 53.050 0.087 0.000 0.807 236 N CB -0.248 38.285 38.487 0.076 0.000 1.244 236 N HN 0.545 nan 8.380 nan 0.000 0.504 237 H N 0.855 119.957 119.070 0.054 0.000 2.604 237 H HA 0.554 5.099 4.556 -0.018 0.000 0.306 237 H C -0.796 174.573 175.328 0.068 0.000 1.075 237 H CA -0.187 55.893 56.048 0.053 0.000 1.357 237 H CB 0.501 30.298 29.762 0.059 0.000 1.426 237 H HN 0.007 nan 8.280 nan 0.000 0.470 238 I N 4.407 124.737 120.570 -0.401 0.000 2.460 238 I HA 0.254 4.413 4.170 -0.018 0.000 0.298 238 I C -0.280 175.704 176.117 -0.221 0.000 0.989 238 I CA -0.313 60.865 61.300 -0.203 0.000 1.173 238 I CB 1.754 39.654 38.000 -0.167 0.000 1.338 238 I HN 0.658 nan 8.210 nan 0.000 0.456 239 E N 4.791 125.020 120.200 0.048 0.000 2.260 239 E HA 0.371 4.710 4.350 -0.018 0.000 0.266 239 E C -1.908 174.883 176.600 0.318 0.000 0.887 239 E CA -0.663 55.821 56.400 0.139 0.000 0.777 239 E CB 2.160 31.943 29.700 0.139 0.000 1.205 239 E HN 0.550 nan 8.360 nan 0.000 0.414 240 W N 3.982 125.352 121.300 0.116 0.000 3.326 240 W HA 0.178 4.828 4.660 -0.017 0.000 0.333 240 W C -0.657 175.969 176.519 0.177 0.000 1.108 240 W CA -0.403 57.040 57.345 0.163 0.000 1.245 240 W CB 0.990 30.543 29.460 0.156 0.000 1.331 240 W HN 0.348 nan 8.180 nan 0.000 0.464 241 E N 5.878 125.739 120.200 -0.565 0.000 2.149 241 E HA -0.324 4.016 4.350 -0.018 0.000 0.191 241 E C 0.545 176.828 176.600 -0.528 0.000 1.384 241 E CA 1.884 57.871 56.400 -0.688 0.000 0.698 241 E CB -0.961 27.946 29.700 -1.321 0.000 1.086 241 E HN 0.900 nan 8.360 nan 0.000 0.338 242 K N -3.659 116.473 120.400 -0.447 0.000 3.615 242 K HA -0.243 4.067 4.320 -0.018 0.000 0.269 242 K C 0.158 176.325 176.600 -0.722 0.000 1.107 242 K CA 1.755 57.611 56.287 -0.718 0.000 1.059 242 K CB -1.330 30.394 32.500 -1.293 0.000 1.317 242 K HN 0.266 nan 8.250 nan 0.000 0.494 243 W N 1.679 122.778 121.300 -0.336 0.000 2.237 243 W HA 0.444 5.094 4.660 -0.017 0.000 0.335 243 W C 0.641 177.143 176.519 -0.030 0.000 1.230 243 W CA -0.060 57.239 57.345 -0.078 0.000 1.253 243 W CB 1.385 30.945 29.460 0.166 0.000 1.129 243 W HN 0.006 nan 8.180 nan 0.000 0.590 244 S N 3.922 119.787 115.700 0.275 0.000 2.572 244 S HA 0.812 5.271 4.470 -0.018 0.000 0.274 244 S C -1.179 173.453 174.600 0.053 0.000 1.150 244 S CA -0.746 57.514 58.200 0.100 0.000 0.944 244 S CB 0.075 63.352 63.200 0.129 0.000 1.071 244 S HN 0.595 nan 8.310 nan 0.000 0.479 245 L N 1.042 122.179 121.223 -0.143 0.000 2.940 245 L HA 0.757 5.086 4.340 -0.018 0.000 0.270 245 L C -2.059 174.700 176.870 -0.184 0.000 1.030 245 L CA -1.069 53.697 54.840 -0.123 0.000 0.928 245 L CB 1.629 43.621 42.059 -0.110 0.000 1.506 245 L HN 0.399 nan 8.230 nan 0.000 0.405 246 D N 1.357 121.710 120.400 -0.078 0.000 2.375 246 D HA 0.484 5.113 4.640 -0.018 0.000 0.247 246 D C -0.814 175.487 176.300 0.002 0.000 1.061 246 D CA -0.277 53.727 54.000 0.007 0.000 0.834 246 D CB 3.246 44.085 40.800 0.065 0.000 1.247 246 D HN 0.359 nan 8.370 nan 0.000 0.489 247 V N 2.163 122.077 119.914 -0.000 0.000 2.348 247 V HA 0.486 4.595 4.120 -0.018 0.000 0.270 247 V C 0.947 177.086 176.094 0.076 0.000 1.037 247 V CA -0.362 61.932 62.300 -0.010 0.000 0.872 247 V CB 1.104 32.900 31.823 -0.045 0.000 1.002 247 V HN 0.599 nan 8.190 nan 0.000 0.464 248 G N 3.200 112.079 108.800 0.131 0.000 2.521 248 G HA2 0.722 4.672 3.960 -0.018 0.000 0.323 248 G HA3 0.722 4.672 3.960 -0.018 0.000 0.323 248 G C -1.568 173.426 174.900 0.158 0.000 1.211 248 G CA -0.475 44.734 45.100 0.182 0.000 0.979 248 G HN 0.472 nan 8.290 nan 0.000 0.490 249 F N -0.104 119.823 119.950 -0.040 0.000 2.588 249 F HA 0.511 5.027 4.527 -0.018 0.000 0.314 249 F C -1.513 174.236 175.800 -0.085 0.000 1.134 249 F CA -0.954 56.976 58.000 -0.117 0.000 0.961 249 F CB 2.595 41.514 39.000 -0.135 0.000 1.239 249 F HN 0.529 nan 8.300 nan 0.000 0.448 250 D N 3.737 123.741 120.400 -0.660 0.000 2.646 250 D HA 0.312 4.941 4.640 -0.018 0.000 0.245 250 D C 0.181 176.112 176.300 -0.614 0.000 1.099 250 D CA -0.557 53.205 54.000 -0.398 0.000 0.849 250 D CB 2.414 43.105 40.800 -0.181 0.000 1.448 250 D HN 0.377 nan 8.370 nan 0.000 0.489 251 V N 4.311 124.054 119.914 -0.286 0.000 2.568 251 V HA -0.137 3.973 4.120 -0.018 0.000 0.253 251 V C 2.026 178.038 176.094 -0.137 0.000 1.072 251 V CA 2.210 64.388 62.300 -0.203 0.000 1.084 251 V CB -0.386 31.376 31.823 -0.101 0.000 0.676 251 V HN 0.633 nan 8.190 nan 0.000 0.469 252 R N -0.420 120.060 120.500 -0.033 0.000 2.055 252 R HA -0.029 4.300 4.340 -0.018 0.000 0.221 252 R C 2.221 178.445 176.300 -0.127 0.000 1.154 252 R CA 1.559 57.624 56.100 -0.058 0.000 0.975 252 R CB -0.235 29.982 30.300 -0.138 0.000 0.869 252 R HN 0.571 nan 8.270 nan 0.000 0.437 253 E N -0.405 119.704 120.200 -0.151 0.000 2.299 253 E HA 0.115 4.454 4.350 -0.018 0.000 0.193 253 E C 0.757 177.171 176.600 -0.310 0.000 0.998 253 E CA 0.385 56.702 56.400 -0.140 0.000 0.851 253 E CB 0.449 30.116 29.700 -0.054 0.000 0.795 253 E HN 0.585 nan 8.360 nan 0.000 0.492 254 G N 0.785 109.187 108.800 -0.664 0.000 2.496 254 G HA2 -0.298 3.651 3.960 -0.018 0.000 0.243 254 G HA3 -0.298 3.651 3.960 -0.018 0.000 0.243 254 G C -0.094 174.186 174.900 -1.034 0.000 1.176 254 G CA -0.335 44.028 45.100 -1.229 0.000 0.940 254 G HN 0.105 nan 8.290 nan 0.000 0.573 255 V N 0.746 120.201 119.914 -0.764 0.000 2.585 255 V HA 0.430 4.539 4.120 -0.018 0.000 0.296 255 V C 0.728 176.764 176.094 -0.096 0.000 1.035 255 V CA 0.216 62.423 62.300 -0.156 0.000 1.084 255 V CB 0.980 32.893 31.823 0.150 0.000 0.953 255 V HN 0.914 nan 8.190 nan 0.000 0.483 256 V N 6.680 126.490 119.914 -0.174 0.000 2.588 256 V HA 0.471 4.580 4.120 -0.018 0.000 0.304 256 V C -0.260 175.572 176.094 -0.437 0.000 1.042 256 V CA -0.634 61.477 62.300 -0.317 0.000 0.877 256 V CB 1.929 33.586 31.823 -0.277 0.000 0.996 256 V HN 0.612 nan 8.190 nan 0.000 0.425 257 L N 4.862 125.682 121.223 -0.672 0.000 2.295 257 L HA 0.637 4.966 4.340 -0.018 0.000 0.285 257 L C -0.381 176.137 176.870 -0.586 0.000 1.035 257 L CA -0.551 53.938 54.840 -0.586 0.000 0.806 257 L CB 1.032 42.652 42.059 -0.732 0.000 1.214 257 L HN 0.607 nan 8.230 nan 0.000 0.426 258 H N 3.531 122.438 119.070 -0.273 0.000 2.622 258 H HA 0.271 4.816 4.556 -0.018 0.000 0.363 258 H C -0.236 174.895 175.328 -0.328 0.000 1.151 258 H CA -0.700 55.170 56.048 -0.296 0.000 1.184 258 H CB 1.952 31.520 29.762 -0.323 0.000 1.643 258 H HN 0.586 nan 8.280 nan 0.000 0.531 259 N N 1.461 120.031 118.700 -0.217 0.000 2.705 259 N HA -0.203 4.527 4.740 -0.018 0.000 0.255 259 N C -0.253 175.197 175.510 -0.101 0.000 1.008 259 N CA 0.489 53.414 53.050 -0.208 0.000 0.742 259 N CB -1.276 37.020 38.487 -0.318 0.000 0.906 259 N HN 0.551 nan 8.380 nan 0.000 0.541 260 I N 0.552 121.071 120.570 -0.085 0.000 2.587 260 I HA 0.209 4.369 4.170 -0.018 0.000 0.284 260 I C 1.030 177.205 176.117 0.096 0.000 1.134 260 I CA 0.257 61.571 61.300 0.024 0.000 1.410 260 I CB 0.457 38.455 38.000 -0.004 0.000 1.392 260 I HN 0.331 nan 8.210 nan 0.000 0.545 261 A N 7.050 129.990 122.820 0.199 0.000 2.566 261 A HA 0.793 5.103 4.320 -0.018 0.000 0.292 261 A C -1.568 176.164 177.584 0.247 0.000 1.112 261 A CA -0.445 51.700 52.037 0.181 0.000 0.707 261 A CB 1.625 20.686 19.000 0.102 0.000 1.302 261 A HN 0.523 nan 8.150 nan 0.000 0.409 262 F N 0.697 120.648 119.950 0.002 0.000 2.518 262 F HA 0.545 5.061 4.527 -0.018 0.000 0.323 262 F C 0.282 176.087 175.800 0.009 0.000 1.129 262 F CA -0.465 57.465 58.000 -0.116 0.000 0.920 262 F CB 1.814 40.683 39.000 -0.219 0.000 1.160 262 F HN 0.602 nan 8.300 nan 0.000 0.440 263 R N 3.646 124.044 120.500 -0.169 0.000 2.291 263 R HA 0.141 4.470 4.340 -0.018 0.000 0.333 263 R C -1.183 175.199 176.300 0.138 0.000 1.082 263 R CA -0.099 55.982 56.100 -0.030 0.000 0.948 263 R CB 0.035 30.253 30.300 -0.137 0.000 1.009 263 R HN 0.450 nan 8.270 nan 0.000 0.460 264 D N 2.847 123.399 120.400 0.254 0.000 2.464 264 D HA 0.308 4.938 4.640 -0.018 0.000 0.243 264 D C 0.881 177.265 176.300 0.140 0.000 1.104 264 D CA 0.536 54.713 54.000 0.294 0.000 0.883 264 D CB 0.860 41.885 40.800 0.375 0.000 1.050 264 D HN 0.645 nan 8.370 nan 0.000 0.524 265 G N 4.468 113.325 108.800 0.096 0.000 2.536 265 G HA2 -0.288 3.661 3.960 -0.018 0.000 0.277 265 G HA3 -0.288 3.661 3.960 -0.018 0.000 0.277 265 G C 0.602 175.522 174.900 0.034 0.000 1.155 265 G CA 0.336 45.467 45.100 0.052 0.000 0.960 265 G HN 0.583 nan 8.290 nan 0.000 0.544 266 D N 1.442 121.858 120.400 0.026 0.000 2.340 266 D HA 0.106 4.735 4.640 -0.018 0.000 0.217 266 D C 1.000 177.312 176.300 0.020 0.000 1.081 266 D CA 0.647 54.657 54.000 0.018 0.000 0.842 266 D CB 0.055 40.861 40.800 0.011 0.000 0.934 266 D HN 0.952 nan 8.370 nan 0.000 0.511 267 R N -0.315 120.202 120.500 0.029 0.000 2.750 267 R HA 0.555 4.884 4.340 -0.018 0.000 0.281 267 R C -1.232 175.098 176.300 0.050 0.000 0.972 267 R CA -1.094 55.023 56.100 0.029 0.000 0.912 267 R CB 1.410 31.719 30.300 0.014 0.000 1.187 267 R HN -0.079 nan 8.270 nan 0.000 0.464 268 L N 2.792 124.042 121.223 0.045 0.000 2.261 268 L HA 0.365 4.694 4.340 -0.018 0.000 0.289 268 L C -0.499 176.414 176.870 0.072 0.000 1.059 268 L CA -0.248 54.630 54.840 0.064 0.000 0.816 268 L CB 0.601 42.690 42.059 0.050 0.000 1.191 268 L HN 0.593 nan 8.230 nan 0.000 0.431 269 R N 7.208 127.787 120.500 0.132 0.000 2.207 269 R HA 0.404 4.733 4.340 -0.018 0.000 0.334 269 R C -2.291 174.110 176.300 0.169 0.000 1.013 269 R CA -1.729 54.459 56.100 0.147 0.000 0.858 269 R CB 0.645 31.064 30.300 0.198 0.000 1.094 269 R HN 0.491 nan 8.270 nan 0.000 0.457 270 P HA 0.069 nan 4.420 nan 0.000 0.272 270 P C -0.095 177.202 177.300 -0.006 0.000 1.223 270 P CA 0.117 63.212 63.100 -0.009 0.000 0.784 270 P CB 1.261 32.881 31.700 -0.133 0.000 0.923 271 I N 0.775 121.282 120.570 -0.106 0.000 3.746 271 I HA 0.248 4.407 4.170 -0.018 0.000 0.262 271 I C 0.705 176.685 176.117 -0.228 0.000 1.153 271 I CA 0.192 61.332 61.300 -0.267 0.000 1.395 271 I CB 0.395 38.120 38.000 -0.459 0.000 1.589 271 I HN 0.137 nan 8.210 nan 0.000 0.441 272 I N 1.532 122.000 120.570 -0.171 0.000 2.478 272 I HA 0.172 4.331 4.170 -0.018 0.000 0.287 272 I C 0.616 176.649 176.117 -0.141 0.000 1.042 272 I CA -0.231 60.981 61.300 -0.147 0.000 1.067 272 I CB 2.135 40.050 38.000 -0.141 0.000 1.233 272 I HN 0.131 nan 8.210 nan 0.000 0.431 273 N N 5.396 124.029 118.700 -0.111 0.000 2.171 273 N HA 0.012 4.741 4.740 -0.018 0.000 0.184 273 N C 0.562 176.009 175.510 -0.105 0.000 1.021 273 N CA 0.951 53.955 53.050 -0.076 0.000 0.854 273 N CB 0.554 39.097 38.487 0.094 0.000 0.994 273 N HN 0.544 nan 8.380 nan 0.000 0.426 274 R N -0.040 120.370 120.500 -0.149 0.000 2.515 274 R HA 0.480 4.809 4.340 -0.018 0.000 0.278 274 R C -2.095 174.021 176.300 -0.306 0.000 1.107 274 R CA -0.501 55.432 56.100 -0.278 0.000 0.945 274 R CB 1.822 32.002 30.300 -0.200 0.000 1.219 274 R HN 0.057 nan 8.270 nan 0.000 0.434 275 A N 2.388 124.950 122.820 -0.431 0.000 2.356 275 A HA 0.750 5.059 4.320 -0.018 0.000 0.310 275 A C -1.041 176.290 177.584 -0.423 0.000 1.075 275 A CA -0.408 51.389 52.037 -0.399 0.000 0.746 275 A CB 1.603 20.284 19.000 -0.532 0.000 1.221 275 A HN 0.843 nan 8.150 nan 0.000 0.443 276 S N 0.765 116.403 115.700 -0.103 0.000 2.611 276 S HA 0.673 5.133 4.470 -0.018 0.000 0.268 276 S C -1.317 173.401 174.600 0.195 0.000 1.156 276 S CA -0.625 57.616 58.200 0.069 0.000 0.817 276 S CB 0.500 63.656 63.200 -0.074 0.000 1.122 276 S HN 0.581 nan 8.310 nan 0.000 0.466 277 I N 2.063 122.770 120.570 0.228 0.000 2.287 277 I HA 0.544 4.703 4.170 -0.018 0.000 0.290 277 I C 1.159 177.363 176.117 0.143 0.000 1.069 277 I CA -0.298 61.121 61.300 0.198 0.000 1.237 277 I CB 0.974 39.192 38.000 0.363 0.000 1.418 277 I HN 0.943 nan 8.210 nan 0.000 0.481 278 A N 4.343 127.218 122.820 0.092 0.000 2.208 278 A HA 0.234 4.543 4.320 -0.018 0.000 0.209 278 A C 0.689 178.311 177.584 0.063 0.000 1.161 278 A CA 0.820 52.933 52.037 0.126 0.000 0.782 278 A CB -0.154 18.927 19.000 0.133 0.000 0.816 278 A HN 0.622 nan 8.150 nan 0.000 0.477 279 E N -2.056 118.126 120.200 -0.029 0.000 2.389 279 E HA 0.514 4.853 4.350 -0.018 0.000 0.281 279 E C -1.212 175.328 176.600 -0.100 0.000 1.072 279 E CA -0.323 56.010 56.400 -0.111 0.000 0.845 279 E CB 0.895 30.377 29.700 -0.364 0.000 1.239 279 E HN 0.488 nan 8.360 nan 0.000 0.434 280 M N 3.386 122.914 119.600 -0.120 0.000 2.255 280 M HA 0.670 5.140 4.480 -0.018 0.000 0.275 280 M C -2.205 173.862 176.300 -0.389 0.000 1.050 280 M CA -0.651 54.422 55.300 -0.379 0.000 0.978 280 M CB 1.836 34.097 32.600 -0.565 0.000 1.761 280 M HN 0.303 nan 8.290 nan 0.000 0.479 281 V N 4.447 124.100 119.914 -0.436 0.000 2.769 281 V HA 0.901 5.010 4.120 -0.018 0.000 0.312 281 V C -1.529 174.260 176.094 -0.508 0.000 1.061 281 V CA -0.525 61.403 62.300 -0.620 0.000 0.931 281 V CB 2.505 33.809 31.823 -0.864 0.000 1.010 281 V HN 0.808 nan 8.190 nan 0.000 0.433 282 V N 7.958 127.625 119.914 -0.412 0.000 2.276 282 V HA 0.421 4.530 4.120 -0.018 0.000 0.268 282 V C -2.460 173.507 176.094 -0.213 0.000 1.032 282 V CA -1.276 60.866 62.300 -0.263 0.000 0.810 282 V CB 1.413 33.262 31.823 0.042 0.000 1.060 282 V HN 0.829 nan 8.190 nan 0.000 0.446 283 P HA 0.352 nan 4.420 nan 0.000 0.292 283 P C -1.320 175.834 177.300 -0.243 0.000 1.287 283 P CA -0.362 62.634 63.100 -0.173 0.000 0.800 283 P CB 1.119 32.711 31.700 -0.179 0.000 0.945 284 Y N 0.819 121.052 120.300 -0.112 0.000 2.334 284 Y HA 0.461 5.000 4.550 -0.018 0.000 0.328 284 Y C 1.757 177.622 175.900 -0.058 0.000 1.130 284 Y CA 0.286 58.335 58.100 -0.085 0.000 1.163 284 Y CB 1.358 39.700 38.460 -0.197 0.000 1.207 284 Y HN 0.481 nan 8.280 nan 0.000 0.471 285 G N 1.331 110.181 108.800 0.083 0.000 3.707 285 G HA2 0.012 3.962 3.960 -0.018 0.000 0.286 285 G HA3 0.012 3.962 3.960 -0.018 0.000 0.286 285 G C -0.726 174.215 174.900 0.069 0.000 1.112 285 G CA -0.187 44.961 45.100 0.080 0.000 0.861 285 G HN 0.512 nan 8.290 nan 0.000 0.534 286 D N 1.123 121.546 120.400 0.038 0.000 2.317 286 D HA 0.254 4.883 4.640 -0.018 0.000 0.234 286 D C -1.047 175.227 176.300 -0.044 0.000 1.112 286 D CA -2.416 51.566 54.000 -0.029 0.000 0.840 286 D CB 2.293 43.065 40.800 -0.047 0.000 1.078 286 D HN 0.035 nan 8.370 nan 0.000 0.486 287 P HA -0.057 nan 4.420 nan 0.000 0.234 287 P C 0.424 177.707 177.300 -0.028 0.000 1.167 287 P CA 0.043 63.130 63.100 -0.022 0.000 0.763 287 P CB 0.155 31.852 31.700 -0.004 0.000 0.835 288 S N 1.467 117.139 115.700 -0.047 0.000 2.546 288 S HA 0.064 4.523 4.470 -0.018 0.000 0.290 288 S C -1.316 173.275 174.600 -0.015 0.000 1.290 288 S CA -0.870 57.309 58.200 -0.034 0.000 1.069 288 S CB 0.226 63.384 63.200 -0.071 0.000 0.846 288 S HN -0.061 nan 8.310 nan 0.000 0.495 289 P HA -0.089 nan 4.420 nan 0.000 0.221 289 P C 1.139 178.561 177.300 0.204 0.000 1.145 289 P CA 0.689 63.858 63.100 0.114 0.000 0.795 289 P CB 0.047 31.816 31.700 0.116 0.000 0.775 290 I N -1.069 119.574 120.570 0.122 0.000 2.546 290 I HA -0.101 4.058 4.170 -0.018 0.000 0.255 290 I C 1.679 177.901 176.117 0.176 0.000 1.163 290 I CA 1.549 62.965 61.300 0.193 0.000 1.457 290 I CB -0.849 37.166 38.000 0.024 0.000 1.092 290 I HN 0.046 nan 8.210 nan 0.000 0.434 291 R N -0.603 119.777 120.500 -0.199 0.000 2.541 291 R HA 0.104 4.433 4.340 -0.018 0.000 0.332 291 R C 1.859 177.671 176.300 -0.814 0.000 0.951 291 R CA 0.466 56.129 56.100 -0.728 0.000 1.136 291 R CB 0.245 30.263 30.300 -0.469 0.000 1.449 291 R HN 0.250 nan 8.270 nan 0.000 0.531 292 S N 0.836 116.276 115.700 -0.433 0.000 2.500 292 S HA -0.113 4.346 4.470 -0.018 0.000 0.239 292 S C 1.353 175.772 174.600 -0.303 0.000 0.989 292 S CA 0.416 58.458 58.200 -0.264 0.000 0.951 292 S CB -0.402 62.734 63.200 -0.106 0.000 0.759 292 S HN 0.616 nan 8.310 nan 0.000 0.523 293 W N 0.426 121.587 121.300 -0.231 0.000 3.211 293 W HA 0.392 5.041 4.660 -0.018 0.000 0.292 293 W C 0.468 177.030 176.519 0.072 0.000 1.268 293 W CA -0.687 56.427 57.345 -0.385 0.000 1.702 293 W CB -0.615 28.518 29.460 -0.545 0.000 1.092 293 W HN 0.269 nan 8.180 nan 0.000 0.643 294 Q N 2.853 122.246 119.800 -0.678 0.000 2.286 294 Q HA 0.085 4.414 4.340 -0.018 0.000 0.265 294 Q C -0.747 175.258 176.000 0.007 0.000 1.080 294 Q CA 0.672 56.160 55.803 -0.525 0.000 0.906 294 Q CB 0.092 28.195 28.738 -1.058 0.000 1.227 294 Q HN 0.027 nan 8.270 nan 0.000 0.409 295 N N 4.233 123.054 118.700 0.201 0.000 2.599 295 N HA 0.041 4.771 4.740 -0.018 0.000 0.283 295 N C -1.901 173.773 175.510 0.273 0.000 1.160 295 N CA -0.436 52.722 53.050 0.180 0.000 0.869 295 N CB 1.180 39.778 38.487 0.184 0.000 1.448 295 N HN 0.524 nan 8.380 nan 0.000 0.535 296 Y N 2.594 122.933 120.300 0.066 0.000 2.404 296 Y HA 0.483 5.022 4.550 -0.018 0.000 0.344 296 Y C -1.187 174.777 175.900 0.107 0.000 0.970 296 Y CA -0.856 57.359 58.100 0.192 0.000 1.180 296 Y CB 0.081 38.617 38.460 0.127 0.000 1.138 296 Y HN 0.250 nan 8.280 nan 0.000 0.510 297 F N 6.277 126.263 119.950 0.060 0.000 2.406 297 F HA 0.425 4.941 4.527 -0.018 0.000 0.358 297 F C 1.366 177.092 175.800 -0.124 0.000 1.161 297 F CA 0.080 58.019 58.000 -0.102 0.000 1.185 297 F CB 0.376 39.381 39.000 0.008 0.000 1.421 297 F HN 0.842 nan 8.300 nan 0.000 0.576 298 A N 1.868 124.399 122.820 -0.481 0.000 1.892 298 A HA -0.197 4.113 4.320 -0.018 0.000 0.218 298 A C 2.260 179.949 177.584 0.175 0.000 1.188 298 A CA 2.566 54.481 52.037 -0.203 0.000 0.631 298 A CB -0.797 18.007 19.000 -0.327 0.000 0.822 298 A HN 0.593 nan 8.150 nan 0.000 0.447 299 T N -0.728 113.868 114.554 0.070 0.000 2.698 299 T HA 0.060 4.400 4.350 -0.018 0.000 0.260 299 T C 2.031 176.740 174.700 0.015 0.000 1.044 299 T CA 1.381 63.519 62.100 0.064 0.000 1.149 299 T CB -0.753 68.123 68.868 0.015 0.000 0.864 299 T HN 0.559 nan 8.240 nan 0.000 0.419 300 G N 0.951 109.752 108.800 0.002 0.000 2.402 300 G HA2 -0.133 3.817 3.960 -0.018 0.000 0.216 300 G HA3 -0.133 3.817 3.960 -0.018 0.000 0.216 300 G C 1.465 176.325 174.900 -0.066 0.000 1.162 300 G CA 0.576 45.602 45.100 -0.124 0.000 0.777 300 G HN 0.507 nan 8.290 nan 0.000 0.539 301 E N -1.104 119.141 120.200 0.075 0.000 2.166 301 E HA 0.079 4.418 4.350 -0.018 0.000 0.192 301 E C 1.839 178.422 176.600 -0.030 0.000 0.967 301 E CA 0.421 56.817 56.400 -0.006 0.000 0.840 301 E CB 0.064 29.771 29.700 0.012 0.000 0.795 301 E HN 0.580 nan 8.360 nan 0.000 0.470 302 Y N -0.039 120.428 120.300 0.279 0.000 2.507 302 Y HA 0.281 4.820 4.550 -0.018 0.000 0.263 302 Y C 0.029 176.142 175.900 0.355 0.000 1.093 302 Y CA -0.036 58.313 58.100 0.415 0.000 1.285 302 Y CB 0.592 39.406 38.460 0.589 0.000 1.115 302 Y HN -0.161 nan 8.280 nan 0.000 0.533 303 L N 0.737 122.171 121.223 0.352 0.000 2.805 303 L HA -0.198 4.131 4.340 -0.018 0.000 0.688 303 L C 1.067 178.083 176.870 0.242 0.000 1.050 303 L CA -0.012 54.940 54.840 0.188 0.000 1.362 303 L CB -1.600 40.525 42.059 0.110 0.000 1.968 303 L HN 0.160 nan 8.230 nan 0.000 0.923 304 V N -0.263 119.803 119.914 0.253 0.000 2.392 304 V HA -0.134 3.975 4.120 -0.018 0.000 0.249 304 V C 2.205 178.465 176.094 0.278 0.000 1.059 304 V CA 2.254 64.760 62.300 0.344 0.000 1.051 304 V CB -0.599 31.403 31.823 0.299 0.000 0.658 304 V HN 0.855 nan 8.190 nan 0.000 0.455 305 G N -0.582 108.239 108.800 0.034 0.000 2.442 305 G HA2 -0.336 3.613 3.960 -0.018 0.000 0.219 305 G HA3 -0.336 3.613 3.960 -0.018 0.000 0.219 305 G C 1.567 176.551 174.900 0.140 0.000 1.141 305 G CA 0.959 46.016 45.100 -0.071 0.000 0.763 305 G HN 0.650 nan 8.290 nan 0.000 0.554 306 Q N -0.740 119.035 119.800 -0.041 0.000 2.135 306 Q HA -0.158 4.172 4.340 -0.018 0.000 0.204 306 Q C 1.213 177.044 176.000 -0.281 0.000 0.981 306 Q CA 1.239 56.896 55.803 -0.243 0.000 0.856 306 Q CB -0.175 28.232 28.738 -0.553 0.000 0.902 306 Q HN 0.618 nan 8.270 nan 0.000 0.425 307 Y N -0.290 120.163 120.300 0.255 0.000 2.532 307 Y HA 0.426 4.965 4.550 -0.018 0.000 0.283 307 Y C 0.342 176.426 175.900 0.307 0.000 1.181 307 Y CA -0.314 57.943 58.100 0.260 0.000 1.256 307 Y CB -0.243 38.387 38.460 0.283 0.000 1.112 307 Y HN 0.081 nan 8.280 nan 0.000 0.521 308 A N 0.972 124.051 122.820 0.432 0.000 2.540 308 A HA 0.052 4.361 4.320 -0.018 0.000 0.239 308 A C 0.325 178.111 177.584 0.336 0.000 1.061 308 A CA -0.182 52.145 52.037 0.483 0.000 0.758 308 A CB -0.227 19.065 19.000 0.486 0.000 0.991 308 A HN 0.599 nan 8.150 nan 0.000 0.502 309 N N 0.979 119.881 118.700 0.337 0.000 2.513 309 N HA 0.279 5.008 4.740 -0.018 0.000 0.274 309 N C -0.399 175.206 175.510 0.160 0.000 1.189 309 N CA -0.383 52.803 53.050 0.226 0.000 0.975 309 N CB 0.769 39.378 38.487 0.203 0.000 1.157 309 N HN 0.560 nan 8.380 nan 0.000 0.465 310 S N 1.446 117.200 115.700 0.090 0.000 2.474 310 S HA 0.196 4.655 4.470 -0.018 0.000 0.276 310 S C 0.073 174.693 174.600 0.033 0.000 1.227 310 S CA -0.558 57.659 58.200 0.028 0.000 1.050 310 S CB 0.073 63.266 63.200 -0.012 0.000 0.939 310 S HN 0.272 nan 8.310 nan 0.000 0.490 311 L N 3.812 125.064 121.223 0.048 0.000 2.290 311 L HA 0.349 4.678 4.340 -0.018 0.000 0.284 311 L C 0.484 177.385 176.870 0.052 0.000 1.078 311 L CA -0.589 54.315 54.840 0.107 0.000 0.815 311 L CB 0.486 42.706 42.059 0.267 0.000 1.162 311 L HN 0.438 nan 8.230 nan 0.000 0.435 312 E N 3.189 123.422 120.200 0.055 0.000 2.259 312 E HA 0.206 4.545 4.350 -0.018 0.000 0.281 312 E C -0.433 176.237 176.600 0.116 0.000 1.027 312 E CA -0.863 55.563 56.400 0.043 0.000 0.838 312 E CB 2.001 31.711 29.700 0.017 0.000 1.066 312 E HN 0.271 nan 8.360 nan 0.000 0.401 313 L N 2.063 123.375 121.223 0.149 0.000 2.490 313 L HA 0.221 4.550 4.340 -0.018 0.000 0.274 313 L C 1.356 178.274 176.870 0.082 0.000 1.201 313 L CA 1.804 56.749 54.840 0.175 0.000 0.869 313 L CB 0.249 42.424 42.059 0.194 0.000 1.123 313 L HN 0.796 nan 8.230 nan 0.000 0.484 314 G N 2.036 110.868 108.800 0.054 0.000 2.383 314 G HA2 -0.346 3.604 3.960 -0.018 0.000 0.229 314 G HA3 -0.346 3.604 3.960 -0.018 0.000 0.229 314 G C 0.948 175.860 174.900 0.020 0.000 1.089 314 G CA 0.404 45.521 45.100 0.028 0.000 0.640 314 G HN 0.775 nan 8.290 nan 0.000 0.510 315 C N -0.012 119.303 119.300 0.026 0.000 2.587 315 C HA 0.304 4.753 4.460 -0.018 0.000 0.287 315 C C 2.320 177.316 174.990 0.010 0.000 1.374 315 C CA 1.455 60.479 59.018 0.010 0.000 1.770 315 C CB -0.527 27.214 27.740 0.001 0.000 2.137 315 C HN 0.572 nan 8.230 nan 0.000 0.550 316 D N -0.162 120.256 120.400 0.031 0.000 2.201 316 D HA 0.041 4.670 4.640 -0.018 0.000 0.209 316 D C 0.230 176.585 176.300 0.092 0.000 0.961 316 D CA 1.063 55.092 54.000 0.048 0.000 0.861 316 D CB 0.074 40.911 40.800 0.063 0.000 0.997 316 D HN 0.395 nan 8.370 nan 0.000 0.486 317 c N 1.888 120.534 118.600 0.077 0.000 2.344 317 c HA 0.520 5.080 4.570 -0.018 0.000 0.326 317 c C -0.295 173.746 174.090 -0.083 0.000 1.201 317 c CA -1.120 55.199 56.329 -0.017 0.000 1.410 317 c CB 0.683 43.177 42.510 -0.026 0.000 2.070 317 c HN 0.167 nan 8.230 nan 0.000 0.445 318 L N 4.245 125.382 121.223 -0.143 0.000 2.309 318 L HA 0.940 5.269 4.340 -0.018 0.000 0.282 318 L C 0.494 177.266 176.870 -0.163 0.000 1.036 318 L CA 1.712 56.490 54.840 -0.104 0.000 0.806 318 L CB 0.812 42.845 42.059 -0.044 0.000 1.220 318 L HN 1.107 nan 8.230 nan 0.000 0.429 319 G N 3.489 112.239 108.800 -0.083 0.000 2.384 319 G HA2 -0.149 3.800 3.960 -0.018 0.000 0.204 319 G HA3 -0.149 3.800 3.960 -0.018 0.000 0.204 319 G C -1.059 173.818 174.900 -0.038 0.000 1.237 319 G CA -0.240 44.830 45.100 -0.050 0.000 1.060 319 G HN 0.745 nan 8.290 nan 0.000 0.514 320 D N 0.862 121.265 120.400 0.005 0.000 2.435 320 D HA 0.450 5.079 4.640 -0.018 0.000 0.230 320 D C -0.170 176.150 176.300 0.033 0.000 1.215 320 D CA -0.045 53.966 54.000 0.017 0.000 0.947 320 D CB 0.147 40.964 40.800 0.027 0.000 1.048 320 D HN 0.314 nan 8.370 nan 0.000 0.512 321 I N 2.105 122.646 120.570 -0.049 0.000 2.437 321 I HA 0.183 4.342 4.170 -0.018 0.000 0.298 321 I C 0.671 176.697 176.117 -0.152 0.000 0.984 321 I CA -0.340 60.873 61.300 -0.146 0.000 1.214 321 I CB 2.039 39.775 38.000 -0.440 0.000 1.365 321 I HN 0.075 nan 8.210 nan 0.000 0.469 322 T N 5.677 120.198 114.554 -0.055 0.000 2.770 322 T HA 0.497 4.836 4.350 -0.018 0.000 0.283 322 T C -0.767 173.874 174.700 -0.097 0.000 0.988 322 T CA -0.298 61.824 62.100 0.036 0.000 0.957 322 T CB 0.216 69.268 68.868 0.306 0.000 0.930 322 T HN 0.110 nan 8.240 nan 0.000 0.443 323 Y N 2.073 122.424 120.300 0.086 0.000 2.376 323 Y HA 0.650 5.189 4.550 -0.018 0.000 0.325 323 Y C 0.251 176.166 175.900 0.026 0.000 1.199 323 Y CA -1.228 56.901 58.100 0.048 0.000 1.206 323 Y CB 1.010 39.490 38.460 0.033 0.000 1.229 323 Y HN 0.362 nan 8.280 nan 0.000 0.480 324 L N 1.308 122.642 121.223 0.185 0.000 2.362 324 L HA 0.528 4.857 4.340 -0.018 0.000 0.271 324 L C -0.653 176.221 176.870 0.007 0.000 1.002 324 L CA -0.689 54.190 54.840 0.065 0.000 0.818 324 L CB 2.103 44.168 42.059 0.011 0.000 1.298 324 L HN 0.527 nan 8.230 nan 0.000 0.420 325 S N 3.042 118.721 115.700 -0.035 0.000 2.406 325 S HA 0.327 4.786 4.470 -0.018 0.000 0.224 325 S C -2.351 172.172 174.600 -0.129 0.000 1.426 325 S CA -0.999 57.147 58.200 -0.089 0.000 1.179 325 S CB 0.752 63.919 63.200 -0.055 0.000 1.042 325 S HN 0.391 nan 8.310 nan 0.000 0.479 326 P HA 0.224 nan 4.420 nan 0.000 0.272 326 P C -0.728 176.485 177.300 -0.145 0.000 1.223 326 P CA -0.274 62.676 63.100 -0.250 0.000 0.784 326 P CB 0.764 32.074 31.700 -0.651 0.000 0.923 327 V N 3.611 123.504 119.914 -0.035 0.000 2.513 327 V HA 0.483 4.592 4.120 -0.018 0.000 0.299 327 V C 0.668 176.789 176.094 0.045 0.000 1.035 327 V CA -0.610 61.688 62.300 -0.003 0.000 0.889 327 V CB 1.278 33.102 31.823 0.003 0.000 0.988 327 V HN 0.521 nan 8.190 nan 0.000 0.440 328 I N 0.777 121.363 120.570 0.028 0.000 3.206 328 I HA 0.817 4.976 4.170 -0.018 0.000 0.313 328 I C -0.167 175.937 176.117 -0.021 0.000 1.103 328 I CA -0.624 60.689 61.300 0.022 0.000 0.985 328 I CB 2.341 40.365 38.000 0.039 0.000 1.240 328 I HN 0.530 nan 8.210 nan 0.000 0.464 329 S N 1.121 116.788 115.700 -0.055 0.000 2.578 329 S HA 0.384 4.844 4.470 -0.018 0.000 0.283 329 S C -0.573 173.986 174.600 -0.068 0.000 1.195 329 S CA -0.543 57.618 58.200 -0.064 0.000 1.050 329 S CB 0.757 63.901 63.200 -0.093 0.000 1.012 329 S HN 0.815 nan 8.310 nan 0.000 0.511 330 D N 2.328 122.698 120.400 -0.049 0.000 2.506 330 D HA 0.426 5.055 4.640 -0.018 0.000 0.272 330 D C 1.125 177.323 176.300 -0.169 0.000 1.214 330 D CA -0.227 53.727 54.000 -0.077 0.000 1.067 330 D CB 0.133 40.936 40.800 0.005 0.000 1.117 330 D HN 0.482 nan 8.370 nan 0.000 0.578 331 A N -1.143 121.460 122.820 -0.362 0.000 2.178 331 A HA -0.005 4.304 4.320 -0.018 0.000 0.218 331 A C 1.246 178.462 177.584 -0.613 0.000 1.157 331 A CA 0.692 52.405 52.037 -0.540 0.000 0.689 331 A CB -0.919 17.636 19.000 -0.741 0.000 0.787 331 A HN 0.448 nan 8.150 nan 0.000 0.465 332 F N -1.738 118.216 119.950 0.007 0.000 2.678 332 F HA 0.414 4.931 4.527 -0.018 0.000 0.305 332 F C 1.723 177.516 175.800 -0.011 0.000 1.090 332 F CA 0.078 58.080 58.000 0.003 0.000 1.272 332 F CB 0.115 39.116 39.000 0.002 0.000 1.060 332 F HN 0.276 nan 8.300 nan 0.000 0.576 333 G N 0.201 109.045 108.800 0.073 0.000 2.175 333 G HA2 -0.260 3.689 3.960 -0.018 0.000 0.244 333 G HA3 -0.260 3.689 3.960 -0.018 0.000 0.244 333 G C 0.070 174.980 174.900 0.018 0.000 0.982 333 G CA -0.409 44.705 45.100 0.023 0.000 0.641 333 G HN 0.271 nan 8.290 nan 0.000 0.527 334 N N 2.150 120.887 118.700 0.062 0.000 2.529 334 N HA 0.406 5.135 4.740 -0.018 0.000 0.278 334 N C -2.468 173.047 175.510 0.009 0.000 1.146 334 N CA -0.992 52.082 53.050 0.040 0.000 0.980 334 N CB 1.525 40.058 38.487 0.077 0.000 1.124 334 N HN 0.211 nan 8.380 nan 0.000 0.458 335 P HA 0.178 nan 4.420 nan 0.000 0.276 335 P C -0.610 176.687 177.300 -0.005 0.000 1.230 335 P CA -0.067 63.022 63.100 -0.019 0.000 0.776 335 P CB 1.141 32.823 31.700 -0.029 0.000 0.888 336 R N 1.934 122.430 120.500 -0.007 0.000 2.502 336 R HA 0.247 4.576 4.340 -0.018 0.000 0.300 336 R C -0.431 175.863 176.300 -0.011 0.000 0.984 336 R CA -0.594 55.505 56.100 -0.002 0.000 0.882 336 R CB 1.439 31.740 30.300 0.002 0.000 1.180 336 R HN 0.483 nan 8.270 nan 0.000 0.444 337 E N 5.147 125.338 120.200 -0.015 0.000 2.283 337 E HA 0.170 4.509 4.350 -0.018 0.000 0.278 337 E C -0.675 175.901 176.600 -0.039 0.000 1.027 337 E CA -0.469 55.912 56.400 -0.032 0.000 0.843 337 E CB 0.919 30.601 29.700 -0.030 0.000 1.062 337 E HN 0.550 nan 8.360 nan 0.000 0.401 338 I N 5.037 125.563 120.570 -0.073 0.000 2.313 338 I HA 0.177 4.336 4.170 -0.018 0.000 0.286 338 I C 0.130 176.194 176.117 -0.088 0.000 1.091 338 I CA -0.683 60.574 61.300 -0.073 0.000 1.216 338 I CB 0.433 38.363 38.000 -0.117 0.000 1.434 338 I HN 0.366 nan 8.210 nan 0.000 0.487 339 R N 6.568 127.029 120.500 -0.065 0.000 2.480 339 R HA -0.019 4.310 4.340 -0.018 0.000 0.303 339 R C 0.490 176.717 176.300 -0.121 0.000 0.985 339 R CA 0.501 56.549 56.100 -0.087 0.000 1.051 339 R CB -0.225 30.028 30.300 -0.080 0.000 0.935 339 R HN 0.582 nan 8.270 nan 0.000 0.410 340 N N 2.438 121.048 118.700 -0.150 0.000 2.714 340 N HA -0.184 4.545 4.740 -0.018 0.000 0.252 340 N C 0.444 175.945 175.510 -0.015 0.000 1.014 340 N CA 1.244 54.175 53.050 -0.198 0.000 0.735 340 N CB -1.198 36.869 38.487 -0.700 0.000 0.924 340 N HN 0.848 nan 8.380 nan 0.000 0.540 341 G N -0.927 107.859 108.800 -0.024 0.000 2.712 341 G HA2 0.258 4.208 3.960 -0.018 0.000 0.212 341 G HA3 0.258 4.208 3.960 -0.018 0.000 0.212 341 G C 0.533 175.477 174.900 0.075 0.000 1.142 341 G CA 0.210 45.310 45.100 0.000 0.000 0.789 341 G HN 0.452 nan 8.290 nan 0.000 0.535 342 I N 0.714 121.339 120.570 0.091 0.000 2.478 342 I HA 0.293 4.452 4.170 -0.018 0.000 0.287 342 I C -0.449 175.779 176.117 0.185 0.000 1.042 342 I CA -1.064 60.312 61.300 0.127 0.000 1.067 342 I CB 2.251 40.257 38.000 0.010 0.000 1.233 342 I HN 0.078 nan 8.210 nan 0.000 0.431 343 c N 5.372 124.062 118.600 0.150 0.000 2.493 343 c HA 0.883 5.443 4.570 -0.018 0.000 0.326 343 c C -0.447 173.638 174.090 -0.009 0.000 1.200 343 c CA -0.771 55.562 56.329 0.007 0.000 1.739 343 c CB 1.169 43.641 42.510 -0.063 0.000 2.300 343 c HN 0.808 nan 8.230 nan 0.000 0.500 344 M N 5.204 124.758 119.600 -0.078 0.000 2.393 344 M HA 0.630 5.100 4.480 -0.018 0.000 0.299 344 M C -0.663 175.596 176.300 -0.068 0.000 1.103 344 M CA -0.158 55.035 55.300 -0.178 0.000 0.910 344 M CB 2.248 34.632 32.600 -0.360 0.000 1.659 344 M HN 1.061 nan 8.290 nan 0.000 0.445 345 H N 0.399 119.285 119.070 -0.306 0.000 2.987 345 H HA 0.454 5.000 4.556 -0.018 0.000 0.316 345 H C -2.132 173.090 175.328 -0.176 0.000 1.380 345 H CA -1.026 54.985 56.048 -0.063 0.000 1.160 345 H CB 1.099 30.867 29.762 0.009 0.000 1.865 345 H HN 0.784 nan 8.280 nan 0.000 0.521 346 E N 1.169 121.390 120.200 0.036 0.000 2.222 346 E HA 0.552 4.891 4.350 -0.018 0.000 0.267 346 E C -0.869 175.769 176.600 0.064 0.000 0.963 346 E CA -0.910 55.403 56.400 -0.144 0.000 0.837 346 E CB 2.761 32.516 29.700 0.092 0.000 1.183 346 E HN 0.740 nan 8.360 nan 0.000 0.403 347 E N 1.372 121.590 120.200 0.031 0.000 2.390 347 E HA 0.246 4.585 4.350 -0.018 0.000 0.277 347 E C -1.509 175.217 176.600 0.210 0.000 0.939 347 E CA -1.012 55.480 56.400 0.153 0.000 0.769 347 E CB 1.426 31.229 29.700 0.172 0.000 1.251 347 E HN 0.529 nan 8.360 nan 0.000 0.450 348 D N 1.051 121.584 120.400 0.222 0.000 2.414 348 D HA -0.016 4.614 4.640 -0.018 0.000 0.242 348 D C -0.952 175.556 176.300 0.348 0.000 1.129 348 D CA -0.014 54.126 54.000 0.233 0.000 0.885 348 D CB 0.582 41.468 40.800 0.143 0.000 1.198 348 D HN 0.504 nan 8.370 nan 0.000 0.437 349 W N 5.855 127.199 121.300 0.074 0.000 1.380 349 W HA 0.377 5.026 4.660 -0.019 0.000 0.298 349 W C 0.236 176.791 176.519 0.061 0.000 0.837 349 W CA 0.040 57.427 57.345 0.070 0.000 2.343 349 W CB 0.116 29.662 29.460 0.144 0.000 2.070 349 W HN 0.850 nan 8.180 nan 0.000 0.500 350 G N 1.970 110.699 108.800 -0.117 0.000 2.575 350 G HA2 -0.330 3.619 3.960 -0.018 0.000 0.267 350 G HA3 -0.330 3.619 3.960 -0.018 0.000 0.267 350 G C -0.365 174.513 174.900 -0.036 0.000 1.264 350 G CA -0.071 44.940 45.100 -0.148 0.000 0.935 350 G HN 0.117 nan 8.290 nan 0.000 0.568 351 I N 1.314 121.853 120.570 -0.051 0.000 2.441 351 I HA 0.240 4.399 4.170 -0.018 0.000 0.287 351 I C 1.543 177.683 176.117 0.039 0.000 1.049 351 I CA -0.086 61.211 61.300 -0.005 0.000 1.381 351 I CB 0.887 38.876 38.000 -0.018 0.000 1.409 351 I HN 0.633 nan 8.210 nan 0.000 0.523 352 L N 6.481 127.745 121.223 0.068 0.000 2.200 352 L HA 0.483 4.812 4.340 -0.018 0.000 0.200 352 L C 0.617 177.543 176.870 0.094 0.000 1.072 352 L CA 1.030 55.933 54.840 0.104 0.000 0.787 352 L CB 0.125 42.257 42.059 0.122 0.000 0.957 352 L HN 0.699 nan 8.230 nan 0.000 0.459 353 A N -0.410 122.471 122.820 0.102 0.000 2.574 353 A HA 0.670 4.979 4.320 -0.018 0.000 0.297 353 A C -1.144 176.547 177.584 0.178 0.000 1.062 353 A CA -0.582 51.546 52.037 0.151 0.000 0.686 353 A CB 1.167 20.307 19.000 0.233 0.000 1.285 353 A HN 0.074 nan 8.150 nan 0.000 0.403 354 K N 1.001 121.519 120.400 0.196 0.000 2.557 354 K HA 0.570 4.880 4.320 -0.018 0.000 0.257 354 K C -2.228 174.524 176.600 0.253 0.000 0.933 354 K CA -0.503 55.908 56.287 0.207 0.000 0.820 354 K CB 1.739 34.295 32.500 0.093 0.000 1.330 354 K HN 1.096 nan 8.250 nan 0.000 0.432 355 H N 0.269 119.421 119.070 0.137 0.000 3.129 355 H HA 0.397 4.941 4.556 -0.019 0.000 0.342 355 H C -1.956 173.403 175.328 0.052 0.000 1.092 355 H CA -0.347 55.736 56.048 0.058 0.000 1.310 355 H CB 2.006 31.777 29.762 0.016 0.000 1.932 355 H HN 0.431 nan 8.280 nan 0.000 0.507 356 S N 3.896 119.233 115.700 -0.607 0.000 2.566 356 S HA 0.178 4.638 4.470 -0.018 0.000 0.324 356 S C -0.861 173.272 174.600 -0.778 0.000 1.081 356 S CA -0.687 57.230 58.200 -0.472 0.000 1.105 356 S CB 0.648 63.709 63.200 -0.230 0.000 0.981 356 S HN 0.661 nan 8.310 nan 0.000 0.464 357 D N 2.416 122.461 120.400 -0.592 0.000 2.280 357 D HA 0.245 4.874 4.640 -0.018 0.000 0.243 357 D C 1.508 177.688 176.300 -0.199 0.000 1.129 357 D CA -0.565 53.221 54.000 -0.357 0.000 0.848 357 D CB 0.744 41.512 40.800 -0.054 0.000 1.107 357 D HN 0.507 nan 8.370 nan 0.000 0.471 358 L N 1.936 122.993 121.223 -0.277 0.000 2.275 358 L HA 0.091 4.420 4.340 -0.018 0.000 0.215 358 L C 0.875 177.683 176.870 -0.102 0.000 1.119 358 L CA 0.487 55.171 54.840 -0.260 0.000 0.790 358 L CB -0.116 41.689 42.059 -0.422 0.000 0.919 358 L HN 0.425 nan 8.230 nan 0.000 0.443 359 W N 1.012 122.317 121.300 0.009 0.000 2.630 359 W HA 0.184 4.841 4.660 -0.006 0.000 0.275 359 W C 2.963 179.486 176.519 0.006 0.000 1.192 359 W CA 0.780 58.130 57.345 0.010 0.000 1.410 359 W CB -0.881 28.590 29.460 0.017 0.000 1.075 359 W HN 0.385 nan 8.180 nan 0.000 0.581 360 S N -0.519 115.317 115.700 0.226 0.000 2.501 360 S HA 0.250 4.709 4.470 -0.018 0.000 0.220 360 S C 1.805 176.451 174.600 0.075 0.000 0.997 360 S CA 0.972 59.251 58.200 0.132 0.000 0.919 360 S CB -0.175 63.093 63.200 0.114 0.000 0.778 360 S HN 0.378 nan 8.310 nan 0.000 0.523 361 G N 1.142 109.970 108.800 0.048 0.000 2.184 361 G HA2 -0.210 3.739 3.960 -0.018 0.000 0.264 361 G HA3 -0.210 3.739 3.960 -0.018 0.000 0.264 361 G C 0.025 174.926 174.900 0.003 0.000 0.975 361 G CA 0.295 45.404 45.100 0.016 0.000 0.642 361 G HN 0.511 nan 8.290 nan 0.000 0.536 362 I N 1.358 121.933 120.570 0.009 0.000 2.395 362 I HA 0.298 4.457 4.170 -0.018 0.000 0.289 362 I C -0.163 175.952 176.117 -0.004 0.000 1.023 362 I CA -0.780 60.532 61.300 0.020 0.000 1.350 362 I CB 0.913 38.941 38.000 0.047 0.000 1.409 362 I HN 0.026 nan 8.210 nan 0.000 0.507 363 N N 6.509 125.222 118.700 0.022 0.000 2.372 363 N HA 0.331 5.060 4.740 -0.018 0.000 0.291 363 N C -1.202 174.381 175.510 0.122 0.000 1.024 363 N CA -0.378 52.683 53.050 0.019 0.000 0.873 363 N CB 2.386 40.867 38.487 -0.010 0.000 1.206 363 N HN 0.497 nan 8.380 nan 0.000 0.486 364 Y N 0.710 120.998 120.300 -0.021 0.000 2.421 364 Y HA 0.450 4.990 4.550 -0.015 0.000 0.339 364 Y C -1.171 174.739 175.900 0.017 0.000 0.996 364 Y CA -0.315 57.791 58.100 0.011 0.000 1.046 364 Y CB 1.697 40.179 38.460 0.037 0.000 1.226 364 Y HN 0.356 nan 8.280 nan 0.000 0.445 365 T N 6.844 121.203 114.554 -0.326 0.000 2.971 365 T HA 0.589 4.928 4.350 -0.018 0.000 0.304 365 T C -1.346 173.113 174.700 -0.402 0.000 1.038 365 T CA -0.989 60.966 62.100 -0.243 0.000 1.007 365 T CB 1.232 70.035 68.868 -0.108 0.000 1.055 365 T HN 0.418 nan 8.240 nan 0.000 0.451 366 R N 1.926 122.270 120.500 -0.258 0.000 2.621 366 R HA 0.525 4.854 4.340 -0.018 0.000 0.284 366 R C -0.473 175.801 176.300 -0.043 0.000 0.998 366 R CA -0.817 55.174 56.100 -0.181 0.000 0.895 366 R CB 2.371 32.575 30.300 -0.159 0.000 1.195 366 R HN 0.571 nan 8.270 nan 0.000 0.450 367 R N 1.126 121.619 120.500 -0.012 0.000 2.500 367 R HA 0.333 4.662 4.340 -0.018 0.000 0.277 367 R C 0.259 176.622 176.300 0.105 0.000 1.026 367 R CA -0.824 55.301 56.100 0.042 0.000 1.058 367 R CB 0.889 31.212 30.300 0.040 0.000 1.078 367 R HN 0.380 nan 8.270 nan 0.000 0.509 368 N N 0.777 119.577 118.700 0.166 0.000 2.485 368 N HA 0.394 5.123 4.740 -0.018 0.000 0.280 368 N C -0.922 174.795 175.510 0.345 0.000 1.205 368 N CA -0.360 52.856 53.050 0.275 0.000 0.959 368 N CB 1.179 39.880 38.487 0.358 0.000 1.206 368 N HN 0.413 nan 8.380 nan 0.000 0.545 369 R N -0.329 120.425 120.500 0.423 0.000 2.710 369 R HA 0.496 4.825 4.340 -0.018 0.000 0.270 369 R C -0.958 175.595 176.300 0.421 0.000 1.021 369 R CA -0.829 55.534 56.100 0.438 0.000 0.889 369 R CB 2.373 32.968 30.300 0.490 0.000 1.243 369 R HN 0.738 nan 8.270 nan 0.000 0.464 370 R N 0.908 121.457 120.500 0.082 0.000 2.651 370 R HA 0.514 4.844 4.340 -0.018 0.000 0.278 370 R C -1.293 174.520 176.300 -0.813 0.000 1.010 370 R CA -0.997 54.833 56.100 -0.450 0.000 0.896 370 R CB 1.681 31.301 30.300 -1.133 0.000 1.211 370 R HN 0.401 nan 8.270 nan 0.000 0.456 371 M N 2.816 121.616 119.600 -1.333 0.000 2.188 371 M HA 0.336 4.805 4.480 -0.018 0.000 0.357 371 M C -1.517 174.286 176.300 -0.830 0.000 1.204 371 M CA -0.530 53.921 55.300 -1.415 0.000 1.095 371 M CB 1.682 33.248 32.600 -1.723 0.000 1.604 371 M HN 0.518 nan 8.290 nan 0.000 0.464 372 V N 6.663 126.129 119.914 -0.747 0.000 2.495 372 V HA 0.586 4.695 4.120 -0.018 0.000 0.298 372 V C -0.585 175.269 176.094 -0.401 0.000 1.031 372 V CA -0.719 61.293 62.300 -0.480 0.000 0.871 372 V CB 1.687 33.171 31.823 -0.564 0.000 0.988 372 V HN 0.658 nan 8.190 nan 0.000 0.432 373 I N 4.586 125.018 120.570 -0.231 0.000 2.439 373 I HA 0.656 4.816 4.170 -0.018 0.000 0.285 373 I C 0.020 176.132 176.117 -0.008 0.000 1.021 373 I CA 0.009 61.236 61.300 -0.121 0.000 1.091 373 I CB 1.581 39.522 38.000 -0.097 0.000 1.242 373 I HN 0.834 nan 8.210 nan 0.000 0.439 374 S N 6.068 121.771 115.700 0.005 0.000 2.638 374 S HA 0.906 5.365 4.470 -0.018 0.000 0.274 374 S C -0.997 173.698 174.600 0.159 0.000 1.157 374 S CA -0.682 57.479 58.200 -0.065 0.000 0.826 374 S CB 2.976 65.827 63.200 -0.581 0.000 1.139 374 S HN 0.476 nan 8.310 nan 0.000 0.474 375 F N -1.119 118.784 119.950 -0.077 0.000 2.686 375 F HA 0.899 5.415 4.527 -0.018 0.000 0.311 375 F C -2.265 173.623 175.800 0.147 0.000 1.128 375 F CA -1.666 56.389 58.000 0.091 0.000 0.946 375 F CB 1.016 40.115 39.000 0.166 0.000 1.336 375 F HN 0.625 nan 8.300 nan 0.000 0.457 376 F N 1.245 121.199 119.950 0.008 0.000 2.539 376 F HA 0.646 5.162 4.527 -0.018 0.000 0.318 376 F C -0.224 175.672 175.800 0.160 0.000 1.135 376 F CA -0.397 57.592 58.000 -0.018 0.000 0.915 376 F CB 2.134 41.172 39.000 0.063 0.000 1.176 376 F HN 0.887 nan 8.300 nan 0.000 0.440 377 T N 2.509 117.291 114.554 0.380 0.000 2.942 377 T HA 0.720 5.059 4.350 -0.018 0.000 0.289 377 T C -1.031 173.947 174.700 0.464 0.000 1.044 377 T CA -0.255 62.139 62.100 0.489 0.000 1.023 377 T CB 1.302 70.491 68.868 0.535 0.000 1.123 377 T HN 0.581 nan 8.240 nan 0.000 0.512 378 T N 3.417 118.214 114.554 0.404 0.000 2.881 378 T HA 0.562 4.901 4.350 -0.018 0.000 0.291 378 T C -0.750 174.047 174.700 0.162 0.000 0.990 378 T CA -0.420 61.828 62.100 0.247 0.000 0.976 378 T CB 0.423 69.402 68.868 0.184 0.000 0.970 378 T HN 0.493 nan 8.240 nan 0.000 0.438 379 I N 3.422 124.041 120.570 0.081 0.000 2.495 379 I HA 0.471 4.630 4.170 -0.018 0.000 0.277 379 I C 1.093 177.089 176.117 -0.203 0.000 1.045 379 I CA -0.337 60.920 61.300 -0.071 0.000 1.135 379 I CB 0.850 38.919 38.000 0.115 0.000 1.241 379 I HN 0.941 nan 8.210 nan 0.000 0.469 380 G N 6.487 115.198 108.800 -0.149 0.000 2.574 380 G HA2 -0.310 3.639 3.960 -0.018 0.000 0.301 380 G HA3 -0.310 3.639 3.960 -0.018 0.000 0.301 380 G C 0.193 175.003 174.900 -0.150 0.000 1.166 380 G CA 0.407 45.458 45.100 -0.081 0.000 0.971 380 G HN 0.710 nan 8.290 nan 0.000 0.542 384 Y N 0.430 120.818 120.300 0.147 0.000 2.409 384 Y HA 0.718 5.257 4.550 -0.018 0.000 0.343 384 Y C 0.830 176.177 175.900 -0.920 0.000 0.973 384 Y CA -1.019 56.952 58.100 -0.216 0.000 1.064 384 Y CB 2.457 40.922 38.460 0.008 0.000 1.207 384 Y HN 0.448 nan 8.280 nan 0.000 0.452 385 G N 2.379 110.477 108.800 -1.170 0.000 2.372 385 G HA2 0.581 4.531 3.960 -0.018 0.000 0.323 385 G HA3 0.581 4.531 3.960 -0.018 0.000 0.323 385 G C -1.699 172.822 174.900 -0.632 0.000 1.152 385 G CA -0.402 43.860 45.100 -1.396 0.000 0.906 385 G HN 0.324 nan 8.290 nan 0.000 0.460 386 F N 1.478 120.919 119.950 -0.849 0.000 2.426 386 F HA 0.503 5.019 4.527 -0.018 0.000 0.348 386 F C -0.707 174.674 175.800 -0.698 0.000 1.124 386 F CA -0.890 56.797 58.000 -0.522 0.000 1.008 386 F CB 1.841 40.708 39.000 -0.222 0.000 1.139 386 F HN 0.310 nan 8.300 nan 0.000 0.452 387 Y N 1.377 121.234 120.300 -0.738 0.000 2.361 387 Y HA 0.433 4.972 4.550 -0.018 0.000 0.337 387 Y C -1.141 174.016 175.900 -1.238 0.000 0.965 387 Y CA -1.553 56.046 58.100 -0.835 0.000 1.091 387 Y CB 1.394 39.303 38.460 -0.917 0.000 1.182 387 Y HN 0.518 nan 8.280 nan 0.000 0.450 388 W N 3.487 124.448 121.300 -0.564 0.000 2.529 388 W HA 0.611 5.259 4.660 -0.018 0.000 0.321 388 W C -1.400 174.712 176.519 -0.680 0.000 1.047 388 W CA -0.729 56.322 57.345 -0.491 0.000 1.216 388 W CB 1.112 30.451 29.460 -0.202 0.000 1.357 388 W HN 0.330 nan 8.180 nan 0.000 0.489 389 Y N 3.010 123.214 120.300 -0.160 0.000 2.446 389 Y HA 0.662 5.201 4.550 -0.018 0.000 0.345 389 Y C -0.244 175.356 175.900 -0.499 0.000 0.984 389 Y CA -1.714 56.105 58.100 -0.469 0.000 1.058 389 Y CB 1.199 39.273 38.460 -0.644 0.000 1.220 389 Y HN 0.070 nan 8.280 nan 0.000 0.455 390 L N 4.029 124.909 121.223 -0.572 0.000 2.349 390 L HA 0.517 4.846 4.340 -0.018 0.000 0.278 390 L C -1.218 175.455 176.870 -0.328 0.000 0.996 390 L CA -0.835 53.603 54.840 -0.669 0.000 0.825 390 L CB 1.239 42.563 42.059 -1.224 0.000 1.243 390 L HN 0.597 nan 8.230 nan 0.000 0.412 391 Y N 1.849 122.304 120.300 0.258 0.000 2.453 391 Y HA 0.316 4.855 4.550 -0.018 0.000 0.326 391 Y C 1.229 177.602 175.900 0.788 0.000 1.186 391 Y CA -0.724 57.650 58.100 0.457 0.000 1.200 391 Y CB 1.383 40.002 38.460 0.265 0.000 1.247 391 Y HN 0.443 nan 8.280 nan 0.000 0.482 392 L N 0.614 122.268 121.223 0.719 0.000 2.079 392 L HA -0.202 4.127 4.340 -0.018 0.000 0.210 392 L C 1.649 178.765 176.870 0.409 0.000 1.081 392 L CA 1.664 56.782 54.840 0.465 0.000 0.752 392 L CB -0.350 41.864 42.059 0.259 0.000 0.896 392 L HN 0.765 nan 8.230 nan 0.000 0.433 393 D N -0.480 120.138 120.400 0.364 0.000 2.363 393 D HA -0.014 4.615 4.640 -0.018 0.000 0.226 393 D C 1.423 177.798 176.300 0.126 0.000 1.020 393 D CA 0.895 54.992 54.000 0.161 0.000 0.892 393 D CB 0.216 41.087 40.800 0.119 0.000 0.900 393 D HN 0.339 nan 8.370 nan 0.000 0.531 394 G N -0.670 108.382 108.800 0.421 0.000 2.176 394 G HA2 -0.238 3.711 3.960 -0.018 0.000 0.232 394 G HA3 -0.238 3.711 3.960 -0.018 0.000 0.232 394 G C 0.385 175.764 174.900 0.799 0.000 0.986 394 G CA 0.167 45.526 45.100 0.432 0.000 0.643 394 G HN 0.452 nan 8.290 nan 0.000 0.522 395 T N 1.304 116.253 114.554 0.659 0.000 2.919 395 T HA 0.561 4.900 4.350 -0.018 0.000 0.302 395 T C 0.534 175.611 174.700 0.628 0.000 1.031 395 T CA 0.455 62.882 62.100 0.544 0.000 1.127 395 T CB 1.286 70.290 68.868 0.227 0.000 0.952 395 T HN 0.335 nan 8.240 nan 0.000 0.540 396 I N 2.449 123.308 120.570 0.482 0.000 2.433 396 I HA 0.494 4.653 4.170 -0.018 0.000 0.292 396 I C 0.095 176.375 176.117 0.272 0.000 1.001 396 I CA -0.626 60.855 61.300 0.301 0.000 1.119 396 I CB 1.906 40.052 38.000 0.243 0.000 1.289 396 I HN 0.612 nan 8.210 nan 0.000 0.438 397 E N 5.598 125.918 120.200 0.201 0.000 2.356 397 E HA 0.486 4.825 4.350 -0.018 0.000 0.275 397 E C -2.044 174.393 176.600 -0.272 0.000 0.904 397 E CA -0.635 55.778 56.400 0.021 0.000 0.757 397 E CB 2.795 32.634 29.700 0.233 0.000 1.232 397 E HN 0.414 nan 8.360 nan 0.000 0.442 398 F N 2.289 121.679 119.950 -0.934 0.000 2.532 398 F HA 0.522 5.038 4.527 -0.018 0.000 0.321 398 F C -1.184 174.048 175.800 -0.946 0.000 1.089 398 F CA -0.506 56.726 58.000 -1.281 0.000 0.926 398 F CB 1.813 39.685 39.000 -1.880 0.000 1.168 398 F HN 0.514 nan 8.300 nan 0.000 0.459 399 E N 4.217 123.229 120.200 -1.980 0.000 2.290 399 E HA 0.690 5.030 4.350 -0.018 0.000 0.274 399 E C -1.952 173.777 176.600 -1.452 0.000 0.889 399 E CA -0.962 54.683 56.400 -1.258 0.000 0.760 399 E CB 1.797 31.171 29.700 -0.545 0.000 1.206 399 E HN 0.877 nan 8.360 nan 0.000 0.419 400 A N 4.380 126.605 122.820 -0.992 0.000 2.317 400 A HA 0.580 4.889 4.320 -0.018 0.000 0.327 400 A C -0.819 176.499 177.584 -0.442 0.000 1.178 400 A CA -0.704 50.849 52.037 -0.807 0.000 0.817 400 A CB 0.889 19.262 19.000 -1.045 0.000 1.189 400 A HN 0.556 nan 8.150 nan 0.000 0.489 401 K N 1.590 121.799 120.400 -0.318 0.000 2.425 401 K HA 0.565 4.874 4.320 -0.018 0.000 0.259 401 K C -0.679 175.879 176.600 -0.071 0.000 0.978 401 K CA -0.286 55.906 56.287 -0.160 0.000 0.883 401 K CB 2.091 34.542 32.500 -0.081 0.000 1.110 401 K HN 0.745 nan 8.250 nan 0.000 0.436 402 A N 2.514 125.318 122.820 -0.027 0.000 2.276 402 A HA 0.583 4.892 4.320 -0.018 0.000 0.316 402 A C -0.050 177.496 177.584 -0.064 0.000 1.229 402 A CA -0.213 51.806 52.037 -0.030 0.000 0.851 402 A CB 1.294 20.223 19.000 -0.118 0.000 1.165 402 A HN 0.685 nan 8.150 nan 0.000 0.513 403 T N 0.812 115.318 114.554 -0.080 0.000 2.606 403 T HA 0.784 5.123 4.350 -0.018 0.000 0.289 403 T C 0.417 175.051 174.700 -0.110 0.000 1.113 403 T CA 1.068 63.141 62.100 -0.045 0.000 1.106 403 T CB 0.563 69.451 68.868 0.033 0.000 1.611 403 T HN 2.660 nan 8.240 nan 0.000 0.471 404 G N -0.106 108.622 108.800 -0.120 0.000 2.451 404 G HA2 0.009 3.958 3.960 -0.018 0.000 0.208 404 G HA3 0.009 3.958 3.960 -0.018 0.000 0.208 404 G C -1.141 173.644 174.900 -0.191 0.000 1.248 404 G CA -0.202 44.792 45.100 -0.177 0.000 0.989 404 G HN 1.372 nan 8.290 nan 0.000 0.559 405 V N 1.253 121.012 119.914 -0.258 0.000 2.495 405 V HA 0.619 4.728 4.120 -0.018 0.000 0.298 405 V C 1.106 177.093 176.094 -0.177 0.000 1.031 405 V CA -0.127 62.038 62.300 -0.225 0.000 0.871 405 V CB 1.190 32.786 31.823 -0.379 0.000 0.988 405 V HN 1.670 nan 8.190 nan 0.000 0.432 406 V N 2.151 122.108 119.914 0.072 0.000 2.843 406 V HA 0.358 4.467 4.120 -0.018 0.000 0.305 406 V C -0.107 176.025 176.094 0.064 0.000 1.065 406 V CA -0.294 62.083 62.300 0.127 0.000 1.116 406 V CB 0.214 32.178 31.823 0.235 0.000 0.968 406 V HN 0.614 nan 8.190 nan 0.000 0.487 407 F N 4.632 124.537 119.950 -0.076 0.000 2.495 407 F HA 0.494 5.011 4.527 -0.018 0.000 0.365 407 F C 1.019 176.882 175.800 0.104 0.000 1.090 407 F CA 0.592 58.565 58.000 -0.045 0.000 1.235 407 F CB 0.825 39.742 39.000 -0.139 0.000 1.119 407 F HN 1.014 nan 8.300 nan 0.000 0.562 408 T N 1.669 116.190 114.554 -0.055 0.000 2.937 408 T HA 0.840 5.179 4.350 -0.018 0.000 0.283 408 T C -0.220 174.509 174.700 0.049 0.000 1.012 408 T CA -0.170 61.965 62.100 0.057 0.000 0.997 408 T CB 1.602 70.500 68.868 0.051 0.000 1.136 408 T HN 0.771 nan 8.240 nan 0.000 0.551 409 S N -0.623 115.074 115.700 -0.004 0.000 2.757 409 S HA 0.769 5.228 4.470 -0.018 0.000 0.285 409 S C -0.735 173.817 174.600 -0.081 0.000 1.196 409 S CA -0.760 57.395 58.200 -0.075 0.000 0.856 409 S CB 0.725 63.889 63.200 -0.059 0.000 1.212 409 S HN 1.448 nan 8.310 nan 0.000 0.516 410 A N 0.371 123.110 122.820 -0.135 0.000 2.302 410 A HA 0.747 5.056 4.320 -0.018 0.000 0.285 410 A C -0.969 176.645 177.584 0.049 0.000 1.105 410 A CA -0.465 51.550 52.037 -0.037 0.000 0.816 410 A CB 0.057 19.031 19.000 -0.044 0.000 1.067 410 A HN 1.002 nan 8.150 nan 0.000 0.489 411 F N 3.787 123.724 119.950 -0.021 0.000 2.385 411 F HA 0.482 4.998 4.527 -0.018 0.000 0.360 411 F C -1.816 174.012 175.800 0.046 0.000 1.122 411 F CA -2.600 55.393 58.000 -0.013 0.000 1.090 411 F CB 1.174 40.155 39.000 -0.031 0.000 1.150 411 F HN 0.387 nan 8.300 nan 0.000 0.472 412 P HA -0.035 nan 4.420 nan 0.000 0.266 412 P C 0.370 177.507 177.300 -0.272 0.000 1.195 412 P CA 0.188 63.142 63.100 -0.244 0.000 0.768 412 P CB 0.953 32.508 31.700 -0.242 0.000 0.838 413 E N 2.419 122.563 120.200 -0.093 0.000 2.085 413 E HA -0.146 4.193 4.350 -0.018 0.000 0.194 413 E C 1.945 178.516 176.600 -0.049 0.000 0.994 413 E CA 1.534 57.915 56.400 -0.032 0.000 0.801 413 E CB -0.681 29.004 29.700 -0.025 0.000 0.743 413 E HN 0.724 nan 8.360 nan 0.000 0.453 414 G N -0.175 108.571 108.800 -0.092 0.000 2.848 414 G HA2 0.272 4.221 3.960 -0.018 0.000 0.208 414 G HA3 0.272 4.221 3.960 -0.018 0.000 0.208 414 G C 0.582 175.426 174.900 -0.093 0.000 1.152 414 G CA 0.379 45.437 45.100 -0.070 0.000 0.789 414 G HN 0.605 nan 8.290 nan 0.000 0.531 415 G N -1.538 107.129 108.800 -0.222 0.000 2.710 415 G HA2 0.260 4.209 3.960 -0.018 0.000 0.668 415 G HA3 0.260 4.209 3.960 -0.018 0.000 0.668 415 G C -0.447 174.237 174.900 -0.359 0.000 1.320 415 G CA 0.017 44.960 45.100 -0.262 0.000 0.860 415 G HN 1.221 nan 8.290 nan 0.000 0.538 416 S N -1.351 114.214 115.700 -0.225 0.000 2.579 416 S HA 0.678 5.137 4.470 -0.018 0.000 0.272 416 S C -0.525 174.056 174.600 -0.032 0.000 1.141 416 S CA 0.260 58.356 58.200 -0.174 0.000 0.843 416 S CB 1.919 64.946 63.200 -0.289 0.000 1.122 416 S HN 0.605 nan 8.310 nan 0.000 0.468 417 D N 1.811 122.185 120.400 -0.044 0.000 2.398 417 D HA 0.257 4.886 4.640 -0.018 0.000 0.210 417 D C -0.019 176.290 176.300 0.014 0.000 1.094 417 D CA 0.275 54.302 54.000 0.045 0.000 0.839 417 D CB 0.136 40.971 40.800 0.059 0.000 0.963 417 D HN 0.595 nan 8.370 nan 0.000 0.506 418 N N -0.317 118.209 118.700 -0.291 0.000 2.167 418 N HA 0.270 4.999 4.740 -0.018 0.000 0.234 418 N C -0.417 174.325 175.510 -1.278 0.000 1.312 418 N CA 0.017 52.695 53.050 -0.620 0.000 0.861 418 N CB 1.752 40.128 38.487 -0.184 0.000 1.217 418 N HN -0.016 nan 8.380 nan 0.000 0.504 419 I N 0.223 120.149 120.570 -1.074 0.000 2.827 419 I HA 0.367 4.527 4.170 -0.018 0.000 0.298 419 I C -0.784 175.296 176.117 -0.062 0.000 1.235 419 I CA -0.999 59.970 61.300 -0.551 0.000 1.021 419 I CB 2.259 40.184 38.000 -0.125 0.000 1.259 419 I HN -0.048 nan 8.210 nan 0.000 0.427 420 S N 3.305 119.122 115.700 0.195 0.000 2.578 420 S HA 0.530 4.989 4.470 -0.018 0.000 0.301 420 S C -0.791 173.767 174.600 -0.070 0.000 1.091 420 S CA -0.821 57.521 58.200 0.237 0.000 1.032 420 S CB 2.097 65.514 63.200 0.362 0.000 1.064 420 S HN 0.666 nan 8.310 nan 0.000 0.508 421 Q N 0.941 120.424 119.800 -0.529 0.000 2.274 421 Q HA 0.435 4.764 4.340 -0.018 0.000 0.256 421 Q C -0.107 175.677 176.000 -0.360 0.000 0.927 421 Q CA -0.480 54.846 55.803 -0.795 0.000 0.939 421 Q CB 0.702 28.613 28.738 -1.379 0.000 1.201 421 Q HN 0.853 nan 8.270 nan 0.000 0.426 422 L N 2.103 123.138 121.223 -0.314 0.000 2.515 422 L HA 0.511 4.840 4.340 -0.018 0.000 0.223 422 L C 0.379 177.089 176.870 -0.266 0.000 1.079 422 L CA 0.064 54.753 54.840 -0.252 0.000 0.857 422 L CB 0.509 42.342 42.059 -0.376 0.000 1.050 422 L HN 0.621 nan 8.230 nan 0.000 0.476 423 A N -1.048 121.585 122.820 -0.310 0.000 2.586 423 A HA 0.604 4.913 4.320 -0.018 0.000 0.290 423 A C -2.754 174.742 177.584 -0.147 0.000 1.086 423 A CA -0.983 50.942 52.037 -0.187 0.000 0.665 423 A CB 0.346 19.222 19.000 -0.206 0.000 1.279 423 A HN -0.237 nan 8.150 nan 0.000 0.423 424 P HA 0.250 nan 4.420 nan 0.000 0.255 424 P C 1.051 178.352 177.300 0.001 0.000 1.173 424 P CA 2.509 65.597 63.100 -0.021 0.000 0.780 424 P CB 0.199 31.905 31.700 0.010 0.000 0.758 425 G N 2.378 111.205 108.800 0.045 0.000 2.189 425 G HA2 -0.286 3.663 3.960 -0.018 0.000 0.267 425 G HA3 -0.286 3.663 3.960 -0.018 0.000 0.267 425 G C -0.114 174.830 174.900 0.074 0.000 0.975 425 G CA -0.081 45.081 45.100 0.104 0.000 0.644 425 G HN 0.567 nan 8.290 nan 0.000 0.537 426 L N 1.803 122.999 121.223 -0.046 0.000 2.264 426 L HA 0.777 5.107 4.340 -0.018 0.000 0.289 426 L C 0.711 177.503 176.870 -0.130 0.000 1.044 426 L CA 0.123 54.874 54.840 -0.148 0.000 0.807 426 L CB 1.065 42.895 42.059 -0.381 0.000 1.192 426 L HN 0.363 nan 8.230 nan 0.000 0.425 427 G N 3.475 112.264 108.800 -0.018 0.000 2.471 427 G HA2 0.751 4.700 3.960 -0.018 0.000 0.332 427 G HA3 0.751 4.700 3.960 -0.018 0.000 0.332 427 G C -1.526 173.381 174.900 0.012 0.000 1.176 427 G CA -0.331 44.816 45.100 0.079 0.000 0.949 427 G HN 0.947 nan 8.290 nan 0.000 0.488 428 A N 1.694 124.557 122.820 0.073 0.000 2.522 428 A HA 0.742 5.051 4.320 -0.018 0.000 0.285 428 A C -2.778 174.918 177.584 0.188 0.000 1.198 428 A CA -1.322 50.789 52.037 0.124 0.000 0.742 428 A CB 1.522 20.589 19.000 0.113 0.000 1.176 428 A HN 0.411 nan 8.150 nan 0.000 0.444 429 P HA 0.154 nan 4.420 nan 0.000 0.266 429 P C -0.366 177.177 177.300 0.406 0.000 1.195 429 P CA 0.319 63.538 63.100 0.199 0.000 0.768 429 P CB 0.170 32.030 31.700 0.267 0.000 0.838 430 F N 3.577 123.625 119.950 0.164 0.000 2.506 430 F HA 0.237 4.754 4.527 -0.018 0.000 0.351 430 F C 1.627 177.360 175.800 -0.112 0.000 1.136 430 F CA 0.478 58.463 58.000 -0.024 0.000 1.298 430 F CB -0.365 38.621 39.000 -0.022 0.000 1.145 430 F HN 0.500 nan 8.300 nan 0.000 0.593 431 H N -0.471 118.435 119.070 -0.274 0.000 2.887 431 H HA 0.495 5.040 4.556 -0.018 0.000 0.290 431 H C -1.817 173.218 175.328 -0.487 0.000 1.429 431 H CA -1.112 54.588 56.048 -0.580 0.000 1.137 431 H CB 1.342 30.331 29.762 -1.288 0.000 1.824 431 H HN 0.581 nan 8.280 nan 0.000 0.520 432 Q N -0.036 119.470 119.800 -0.489 0.000 2.484 432 Q HA 0.388 4.717 4.340 -0.018 0.000 0.285 432 Q C -1.121 174.626 176.000 -0.422 0.000 1.097 432 Q CA -0.975 54.593 55.803 -0.390 0.000 0.802 432 Q CB 2.950 31.523 28.738 -0.274 0.000 1.444 432 Q HN 0.532 nan 8.270 nan 0.000 0.429 433 H N 1.439 120.439 119.070 -0.117 0.000 2.887 433 H HA 0.354 4.900 4.556 -0.018 0.000 0.300 433 H C -0.909 174.258 175.328 -0.268 0.000 1.038 433 H CA -0.351 55.590 56.048 -0.178 0.000 1.352 433 H CB 0.824 30.594 29.762 0.014 0.000 1.473 433 H HN 0.367 nan 8.280 nan 0.000 0.503 434 I N 4.278 124.648 120.570 -0.335 0.000 2.362 434 I HA 0.243 4.403 4.170 -0.018 0.000 0.289 434 I C -0.032 175.831 176.117 -0.423 0.000 0.994 434 I CA -0.620 60.519 61.300 -0.270 0.000 1.158 434 I CB 0.491 38.355 38.000 -0.226 0.000 1.315 434 I HN 0.224 nan 8.210 nan 0.000 0.451 435 F N 2.994 122.656 119.950 -0.479 0.000 2.483 435 F HA 0.537 5.054 4.527 -0.018 0.000 0.329 435 F C 0.779 176.352 175.800 -0.380 0.000 1.064 435 F CA -0.856 56.798 58.000 -0.577 0.000 0.986 435 F CB 1.636 39.928 39.000 -1.181 0.000 1.218 435 F HN 0.353 nan 8.300 nan 0.000 0.484 436 S N 1.144 116.860 115.700 0.027 0.000 2.756 436 S HA 0.779 5.238 4.470 -0.018 0.000 0.303 436 S C -1.001 173.695 174.600 0.159 0.000 1.135 436 S CA -0.531 57.727 58.200 0.097 0.000 1.066 436 S CB 0.499 63.590 63.200 -0.182 0.000 1.008 436 S HN 0.854 nan 8.310 nan 0.000 0.482 437 A N 4.768 127.745 122.820 0.261 0.000 2.274 437 A HA 0.653 4.962 4.320 -0.018 0.000 0.309 437 A C 0.109 177.696 177.584 0.005 0.000 1.226 437 A CA -0.705 51.438 52.037 0.176 0.000 0.853 437 A CB 0.442 19.532 19.000 0.149 0.000 1.146 437 A HN 0.854 nan 8.150 nan 0.000 0.518 438 R N 3.488 123.916 120.500 -0.120 0.000 2.229 438 R HA 0.541 4.870 4.340 -0.018 0.000 0.332 438 R C -1.602 174.489 176.300 -0.348 0.000 0.989 438 R CA -0.353 55.459 56.100 -0.479 0.000 0.842 438 R CB 0.305 30.174 30.300 -0.718 0.000 1.119 438 R HN 0.711 nan 8.270 nan 0.000 0.456 439 L N 4.475 125.495 121.223 -0.339 0.000 2.324 439 L HA 0.258 4.587 4.340 -0.018 0.000 0.274 439 L C -0.447 176.305 176.870 -0.198 0.000 1.012 439 L CA -0.874 53.849 54.840 -0.195 0.000 0.859 439 L CB 1.498 43.503 42.059 -0.089 0.000 1.224 439 L HN 0.551 nan 8.230 nan 0.000 0.429 440 D N 5.033 125.330 120.400 -0.173 0.000 2.383 440 D HA 0.157 4.786 4.640 -0.018 0.000 0.245 440 D C 0.185 176.475 176.300 -0.016 0.000 1.263 440 D CA -0.238 53.720 54.000 -0.070 0.000 0.936 440 D CB 0.592 41.371 40.800 -0.036 0.000 1.053 440 D HN 0.156 nan 8.370 nan 0.000 0.507 441 M N 2.191 121.799 119.600 0.013 0.000 2.240 441 M HA 0.365 4.835 4.480 -0.018 0.000 0.333 441 M C 0.453 176.780 176.300 0.044 0.000 1.110 441 M CA -0.405 54.902 55.300 0.013 0.000 1.173 441 M CB 0.787 33.405 32.600 0.030 0.000 1.458 441 M HN 0.483 nan 8.290 nan 0.000 0.458 442 A N 3.168 125.948 122.820 -0.066 0.000 3.368 442 A HA 0.360 4.669 4.320 -0.018 0.000 0.211 442 A C -0.361 177.139 177.584 -0.140 0.000 1.004 442 A CA -0.552 51.364 52.037 -0.202 0.000 1.059 442 A CB 0.089 18.806 19.000 -0.472 0.000 1.298 442 A HN 0.616 nan 8.150 nan 0.000 0.613 443 I N 1.629 122.179 120.570 -0.034 0.000 2.691 443 I HA 0.028 4.187 4.170 -0.018 0.000 0.288 443 I C 0.465 176.647 176.117 0.108 0.000 1.143 443 I CA 0.937 62.284 61.300 0.078 0.000 1.364 443 I CB -0.950 37.138 38.000 0.146 0.000 1.435 443 I HN 0.486 nan 8.210 nan 0.000 0.551 444 D N 4.918 125.403 120.400 0.142 0.000 2.911 444 D HA -0.160 4.469 4.640 -0.018 0.000 0.227 444 D C 0.607 176.873 176.300 -0.056 0.000 1.164 444 D CA 1.692 55.710 54.000 0.029 0.000 0.782 444 D CB -0.738 40.037 40.800 -0.042 0.000 1.094 444 D HN 1.118 nan 8.370 nan 0.000 0.425 445 G N -2.350 106.366 108.800 -0.139 0.000 2.354 445 G HA2 -0.027 3.922 3.960 -0.018 0.000 0.582 445 G HA3 -0.027 3.922 3.960 -0.018 0.000 0.582 445 G C 0.171 174.927 174.900 -0.240 0.000 1.316 445 G CA -0.385 44.578 45.100 -0.229 0.000 0.995 445 G HN 0.015 nan 8.290 nan 0.000 0.573 446 F N 0.734 120.678 119.950 -0.009 0.000 2.710 446 F HA 0.215 4.731 4.527 -0.018 0.000 0.298 446 F C 2.288 178.091 175.800 0.004 0.000 1.137 446 F CA 1.179 59.169 58.000 -0.017 0.000 1.444 446 F CB 0.271 39.246 39.000 -0.041 0.000 1.111 446 F HN 0.277 nan 8.300 nan 0.000 0.580 447 T N 2.269 116.918 114.554 0.159 0.000 3.185 447 T HA 0.143 4.483 4.350 -0.018 0.000 0.287 447 T C -0.020 174.736 174.700 0.094 0.000 1.051 447 T CA -0.029 62.139 62.100 0.113 0.000 1.051 447 T CB -0.780 68.134 68.868 0.077 0.000 1.034 447 T HN 0.210 nan 8.240 nan 0.000 0.685 448 N N 2.114 120.879 118.700 0.108 0.000 2.453 448 N HA 0.776 5.505 4.740 -0.018 0.000 0.290 448 N C -0.375 175.192 175.510 0.094 0.000 1.250 448 N CA -1.328 51.781 53.050 0.098 0.000 0.815 448 N CB 1.955 40.505 38.487 0.105 0.000 1.381 448 N HN 0.484 nan 8.380 nan 0.000 0.510 449 R N -1.115 119.440 120.500 0.093 0.000 2.710 449 R HA 0.594 4.923 4.340 -0.018 0.000 0.270 449 R C -2.100 174.262 176.300 0.103 0.000 1.021 449 R CA -0.799 55.356 56.100 0.092 0.000 0.889 449 R CB 0.927 31.274 30.300 0.079 0.000 1.243 449 R HN 0.187 nan 8.270 nan 0.000 0.464 450 V N 1.336 121.317 119.914 0.112 0.000 2.495 450 V HA 0.411 4.520 4.120 -0.018 0.000 0.298 450 V C -0.476 175.707 176.094 0.148 0.000 1.031 450 V CA -0.697 61.686 62.300 0.139 0.000 0.871 450 V CB 1.699 33.610 31.823 0.145 0.000 0.988 450 V HN 0.758 nan 8.190 nan 0.000 0.432 451 E N 2.623 122.917 120.200 0.157 0.000 2.210 451 E HA 0.413 4.752 4.350 -0.018 0.000 0.266 451 E C -0.867 175.818 176.600 0.141 0.000 0.883 451 E CA -0.610 55.865 56.400 0.126 0.000 0.761 451 E CB 2.732 32.475 29.700 0.072 0.000 1.156 451 E HN 0.721 nan 8.360 nan 0.000 0.412 452 E N 2.802 123.075 120.200 0.122 0.000 2.229 452 E HA 0.058 4.397 4.350 -0.018 0.000 0.283 452 E C -0.937 175.586 176.600 -0.128 0.000 1.030 452 E CA -0.234 56.152 56.400 -0.023 0.000 0.836 452 E CB 0.877 30.630 29.700 0.088 0.000 1.068 452 E HN 0.413 nan 8.360 nan 0.000 0.401 453 E N 4.259 124.303 120.200 -0.261 0.000 2.145 453 E HA 0.188 4.527 4.350 -0.018 0.000 0.270 453 E C -1.295 175.180 176.600 -0.207 0.000 0.906 453 E CA -0.799 55.493 56.400 -0.179 0.000 0.761 453 E CB 0.951 30.563 29.700 -0.146 0.000 1.116 453 E HN 0.395 nan 8.360 nan 0.000 0.408 454 D N 2.535 122.860 120.400 -0.124 0.000 2.342 454 D HA 0.269 4.898 4.640 -0.018 0.000 0.243 454 D C -0.545 175.724 176.300 -0.051 0.000 1.019 454 D CA -0.555 53.383 54.000 -0.103 0.000 0.864 454 D CB 2.177 42.931 40.800 -0.076 0.000 1.315 454 D HN 0.167 nan 8.370 nan 0.000 0.468 455 V N 1.289 121.175 119.914 -0.046 0.000 2.811 455 V HA 0.219 4.328 4.120 -0.018 0.000 0.302 455 V C 0.151 176.250 176.094 0.008 0.000 1.063 455 V CA -0.235 62.061 62.300 -0.007 0.000 1.088 455 V CB 1.462 33.253 31.823 -0.054 0.000 0.982 455 V HN 0.265 nan 8.190 nan 0.000 0.485 456 V N 6.046 125.994 119.914 0.058 0.000 2.407 456 V HA 0.436 4.545 4.120 -0.018 0.000 0.291 456 V C 0.184 176.329 176.094 0.085 0.000 1.018 456 V CA -0.787 61.544 62.300 0.052 0.000 0.842 456 V CB 1.533 33.385 31.823 0.048 0.000 0.996 456 V HN 0.811 nan 8.190 nan 0.000 0.426 457 R N 3.508 124.038 120.500 0.050 0.000 2.490 457 R HA 0.557 4.886 4.340 -0.018 0.000 0.278 457 R C -0.520 175.816 176.300 0.060 0.000 1.069 457 R CA -0.460 55.676 56.100 0.061 0.000 1.080 457 R CB 1.168 31.479 30.300 0.019 0.000 1.030 457 R HN 0.664 nan 8.270 nan 0.000 0.491 458 Q N 0.480 120.324 119.800 0.073 0.000 2.345 458 Q HA 0.294 4.623 4.340 -0.018 0.000 0.268 458 Q C -0.736 175.287 176.000 0.039 0.000 1.054 458 Q CA -0.663 55.170 55.803 0.050 0.000 0.835 458 Q CB 2.598 31.367 28.738 0.051 0.000 1.339 458 Q HN 0.476 nan 8.270 nan 0.000 0.447 459 T N 1.870 116.440 114.554 0.026 0.000 2.909 459 T HA 0.266 4.605 4.350 -0.018 0.000 0.289 459 T C 0.034 174.745 174.700 0.019 0.000 1.005 459 T CA -0.445 61.667 62.100 0.020 0.000 1.084 459 T CB 0.559 69.436 68.868 0.014 0.000 0.975 459 T HN 0.469 nan 8.240 nan 0.000 0.509 460 M N 2.659 122.269 119.600 0.017 0.000 2.238 460 M HA 0.455 4.924 4.480 -0.018 0.000 0.350 460 M C 0.445 176.751 176.300 0.010 0.000 1.321 460 M CA 0.790 56.099 55.300 0.014 0.000 1.097 460 M CB -0.426 32.182 32.600 0.014 0.000 1.713 460 M HN 0.924 nan 8.290 nan 0.000 0.455 461 G N 4.500 113.305 108.800 0.008 0.000 2.344 461 G HA2 0.216 4.165 3.960 -0.018 0.000 0.282 461 G HA3 0.216 4.165 3.960 -0.018 0.000 0.282 461 G C -3.324 171.578 174.900 0.004 0.000 1.281 461 G CA -1.008 44.095 45.100 0.006 0.000 0.877 461 G HN 0.475 nan 8.290 nan 0.000 0.494 462 P HA 0.272 nan 4.420 nan 0.000 0.261 462 P C 1.052 178.352 177.300 -0.000 0.000 1.183 462 P CA 2.015 65.115 63.100 0.001 0.000 0.761 462 P CB 0.740 32.441 31.700 0.001 0.000 0.785 463 G N 3.070 111.868 108.800 -0.002 0.000 2.217 463 G HA2 -0.264 3.685 3.960 -0.018 0.000 0.246 463 G HA3 -0.264 3.685 3.960 -0.018 0.000 0.246 463 G C 0.424 175.321 174.900 -0.005 0.000 0.990 463 G CA 0.328 45.426 45.100 -0.005 0.000 0.627 463 G HN 0.694 nan 8.290 nan 0.000 0.522 464 N N 0.211 118.910 118.700 -0.001 0.000 2.620 464 N HA 0.361 5.090 4.740 -0.018 0.000 0.277 464 N C 0.958 176.471 175.510 0.005 0.000 1.726 464 N CA 0.424 53.475 53.050 0.001 0.000 0.840 464 N CB 0.459 38.949 38.487 0.006 0.000 1.379 464 N HN 0.155 nan 8.380 nan 0.000 0.506 465 E N 0.053 120.254 120.200 0.003 0.000 2.160 465 E HA -0.049 4.290 4.350 -0.018 0.000 0.195 465 E C 1.212 177.816 176.600 0.006 0.000 0.991 465 E CA 1.225 57.627 56.400 0.004 0.000 0.810 465 E CB 0.113 29.814 29.700 0.002 0.000 0.742 465 E HN 0.392 nan 8.360 nan 0.000 0.466 466 R N -0.920 119.584 120.500 0.007 0.000 2.300 466 R HA 0.151 4.481 4.340 -0.018 0.000 0.199 466 R C 0.768 177.078 176.300 0.016 0.000 0.920 466 R CA 0.506 56.612 56.100 0.010 0.000 1.046 466 R CB 0.376 30.682 30.300 0.009 0.000 0.984 466 R HN 0.230 nan 8.270 nan 0.000 0.493 467 G N 2.195 111.006 108.800 0.018 0.000 2.273 467 G HA2 -0.346 3.603 3.960 -0.018 0.000 0.280 467 G HA3 -0.346 3.603 3.960 -0.018 0.000 0.280 467 G C 0.235 175.161 174.900 0.042 0.000 1.047 467 G CA 0.895 46.011 45.100 0.027 0.000 0.869 467 G HN 0.667 nan 8.290 nan 0.000 0.502 468 N N -0.903 117.823 118.700 0.044 0.000 2.348 468 N HA 0.512 5.241 4.740 -0.018 0.000 0.183 468 N C 1.288 176.856 175.510 0.097 0.000 1.094 468 N CA 0.709 53.801 53.050 0.069 0.000 0.885 468 N CB 0.282 38.795 38.487 0.044 0.000 1.065 468 N HN 0.905 nan 8.380 nan 0.000 0.472 469 A N 0.597 123.446 122.820 0.047 0.000 2.498 469 A HA 0.406 4.715 4.320 -0.018 0.000 0.239 469 A C -0.505 177.154 177.584 0.124 0.000 1.068 469 A CA -0.091 51.952 52.037 0.010 0.000 0.766 469 A CB -0.439 18.551 19.000 -0.017 0.000 1.003 469 A HN 0.517 nan 8.150 nan 0.000 0.497 470 F N 0.408 120.353 119.950 -0.008 0.000 2.641 470 F HA 0.792 5.309 4.527 -0.016 0.000 0.308 470 F C -0.300 175.494 175.800 -0.011 0.000 1.105 470 F CA -0.399 57.596 58.000 -0.009 0.000 0.964 470 F CB 0.941 39.935 39.000 -0.010 0.000 1.294 470 F HN 0.616 nan 8.300 nan 0.000 0.442 471 S N 1.344 117.182 115.700 0.230 0.000 3.331 471 S HA 0.906 5.366 4.470 -0.018 0.000 0.316 471 S C -1.363 173.331 174.600 0.156 0.000 1.104 471 S CA -0.560 57.701 58.200 0.103 0.000 0.977 471 S CB 1.438 64.655 63.200 0.029 0.000 1.370 471 S HN 1.160 nan 8.310 nan 0.000 0.731 472 R N 0.163 120.707 120.500 0.072 0.000 2.712 472 R HA 0.623 4.952 4.340 -0.018 0.000 0.272 472 R C -2.035 174.276 176.300 0.018 0.000 1.032 472 R CA -1.057 55.072 56.100 0.048 0.000 0.874 472 R CB 0.999 31.326 30.300 0.045 0.000 1.256 472 R HN 0.698 nan 8.270 nan 0.000 0.468 473 K N 1.107 121.508 120.400 0.002 0.000 2.477 473 K HA 0.598 4.907 4.320 -0.018 0.000 0.255 473 K C -1.157 175.435 176.600 -0.013 0.000 0.952 473 K CA -1.208 55.078 56.287 -0.002 0.000 0.826 473 K CB 2.789 35.289 32.500 0.000 0.000 1.331 473 K HN 0.598 nan 8.250 nan 0.000 0.437 474 R N 0.989 121.486 120.500 -0.004 0.000 2.513 474 R HA 0.368 4.697 4.340 -0.018 0.000 0.301 474 R C -1.160 175.149 176.300 0.014 0.000 0.968 474 R CA -0.885 55.214 56.100 -0.002 0.000 0.872 474 R CB 2.529 32.832 30.300 0.005 0.000 1.177 474 R HN 0.655 nan 8.270 nan 0.000 0.444 475 T N 2.404 116.972 114.554 0.024 0.000 2.791 475 T HA 0.223 4.562 4.350 -0.018 0.000 0.288 475 T C -0.018 174.719 174.700 0.061 0.000 0.999 475 T CA -0.576 61.548 62.100 0.039 0.000 0.952 475 T CB 1.552 70.445 68.868 0.041 0.000 0.938 475 T HN 0.141 nan 8.240 nan 0.000 0.444 476 V N 5.288 125.236 119.914 0.056 0.000 2.555 476 V HA 0.218 4.327 4.120 -0.018 0.000 0.286 476 V C 0.362 176.499 176.094 0.071 0.000 1.044 476 V CA -0.497 61.843 62.300 0.067 0.000 1.026 476 V CB 0.434 32.289 31.823 0.055 0.000 0.981 476 V HN 0.716 nan 8.190 nan 0.000 0.480 477 L N 5.580 126.855 121.223 0.087 0.000 2.283 477 L HA 0.277 4.606 4.340 -0.018 0.000 0.287 477 L C 1.454 178.367 176.870 0.071 0.000 1.073 477 L CA -0.128 54.761 54.840 0.081 0.000 0.822 477 L CB 0.993 43.109 42.059 0.095 0.000 1.186 477 L HN 0.897 nan 8.230 nan 0.000 0.436 478 T N -0.600 113.989 114.554 0.058 0.000 3.044 478 T HA 0.185 4.525 4.350 -0.018 0.000 0.255 478 T C 0.942 175.674 174.700 0.053 0.000 1.073 478 T CA 0.015 62.148 62.100 0.054 0.000 1.125 478 T CB 0.365 69.259 68.868 0.044 0.000 0.908 478 T HN 0.340 nan 8.240 nan 0.000 0.480 479 R N 0.660 121.191 120.500 0.051 0.000 2.744 479 R HA 0.427 4.757 4.340 -0.018 0.000 0.279 479 R C 0.530 176.864 176.300 0.056 0.000 0.977 479 R CA -0.520 55.610 56.100 0.051 0.000 0.906 479 R CB 1.661 31.985 30.300 0.040 0.000 1.197 479 R HN 0.226 nan 8.270 nan 0.000 0.463 480 E N 0.454 120.693 120.200 0.065 0.000 2.130 480 E HA -0.202 4.138 4.350 -0.018 0.000 0.196 480 E C 1.396 178.032 176.600 0.060 0.000 0.998 480 E CA 2.075 58.522 56.400 0.078 0.000 0.806 480 E CB 0.126 29.880 29.700 0.091 0.000 0.738 480 E HN 0.631 nan 8.360 nan 0.000 0.459 481 S N 1.118 116.845 115.700 0.045 0.000 2.469 481 S HA -0.187 4.272 4.470 -0.018 0.000 0.238 481 S C 1.611 176.215 174.600 0.008 0.000 0.998 481 S CA 1.384 59.600 58.200 0.028 0.000 0.957 481 S CB -0.285 62.929 63.200 0.024 0.000 0.764 481 S HN 0.480 nan 8.310 nan 0.000 0.514 482 E N 0.158 120.367 120.200 0.014 0.000 2.548 482 E HA 0.496 4.835 4.350 -0.018 0.000 0.206 482 E C 0.801 177.403 176.600 0.002 0.000 1.005 482 E CA 0.168 56.571 56.400 0.005 0.000 0.951 482 E CB 0.370 30.082 29.700 0.020 0.000 1.035 482 E HN 0.488 nan 8.360 nan 0.000 0.470 483 A N 1.087 123.907 122.820 -0.000 0.000 2.577 483 A HA 0.334 4.643 4.320 -0.018 0.000 0.280 483 A C 0.098 177.623 177.584 -0.099 0.000 1.331 483 A CA -0.275 51.761 52.037 -0.003 0.000 0.935 483 A CB 0.202 19.237 19.000 0.059 0.000 1.082 483 A HN 0.112 nan 8.150 nan 0.000 0.525 484 V N 2.646 122.434 119.914 -0.209 0.000 2.293 484 V HA 0.394 4.504 4.120 -0.018 0.000 0.275 484 V C -0.399 175.467 176.094 -0.381 0.000 1.021 484 V CA -0.726 61.262 62.300 -0.520 0.000 0.815 484 V CB 0.525 31.957 31.823 -0.652 0.000 1.025 484 V HN 0.490 nan 8.190 nan 0.000 0.448 485 R N 3.045 123.330 120.500 -0.358 0.000 2.787 485 R HA 0.722 5.051 4.340 -0.018 0.000 0.271 485 R C -0.445 175.805 176.300 -0.084 0.000 0.993 485 R CA -0.734 55.288 56.100 -0.129 0.000 0.993 485 R CB 1.858 32.188 30.300 0.051 0.000 1.155 485 R HN 0.636 nan 8.270 nan 0.000 0.486 486 E N 0.374 120.632 120.200 0.096 0.000 2.221 486 E HA 0.570 4.909 4.350 -0.018 0.000 0.268 486 E C -0.654 176.147 176.600 0.335 0.000 0.933 486 E CA -0.986 55.499 56.400 0.141 0.000 0.809 486 E CB 2.234 31.979 29.700 0.075 0.000 1.190 486 E HN 0.629 nan 8.360 nan 0.000 0.406 487 A N 1.528 124.551 122.820 0.338 0.000 2.346 487 A HA 0.246 4.555 4.320 -0.018 0.000 0.252 487 A C -0.200 177.491 177.584 0.179 0.000 1.089 487 A CA -0.024 52.239 52.037 0.378 0.000 0.797 487 A CB 0.401 19.613 19.000 0.354 0.000 1.047 487 A HN 0.607 nan 8.150 nan 0.000 0.494 488 D N 0.175 120.630 120.400 0.092 0.000 2.527 488 D HA 0.398 5.027 4.640 -0.018 0.000 0.242 488 D C 0.708 177.011 176.300 0.004 0.000 1.285 488 D CA 0.280 54.302 54.000 0.036 0.000 0.886 488 D CB 0.689 41.492 40.800 0.005 0.000 1.402 488 D HN 0.480 nan 8.370 nan 0.000 0.528 489 A N 2.837 125.677 122.820 0.033 0.000 1.978 489 A HA -0.180 4.129 4.320 -0.018 0.000 0.220 489 A C 2.074 179.654 177.584 -0.007 0.000 1.170 489 A CA 1.385 53.435 52.037 0.021 0.000 0.636 489 A CB -0.224 18.802 19.000 0.044 0.000 0.810 489 A HN 0.500 nan 8.150 nan 0.000 0.448 490 R N -0.308 120.188 120.500 -0.007 0.000 2.105 490 R HA -0.123 4.206 4.340 -0.018 0.000 0.239 490 R C 1.656 177.931 176.300 -0.041 0.000 1.135 490 R CA 1.882 57.969 56.100 -0.022 0.000 0.967 490 R CB -0.300 29.992 30.300 -0.014 0.000 0.861 490 R HN 0.626 nan 8.270 nan 0.000 0.442 491 T N -3.426 111.101 114.554 -0.045 0.000 3.186 491 T HA 0.233 4.572 4.350 -0.018 0.000 0.257 491 T C 0.821 175.473 174.700 -0.080 0.000 1.029 491 T CA 0.163 62.226 62.100 -0.061 0.000 0.916 491 T CB 0.746 69.581 68.868 -0.055 0.000 1.041 491 T HN 0.345 nan 8.240 nan 0.000 0.562 492 G N 2.446 111.202 108.800 -0.072 0.000 2.356 492 G HA2 -0.344 3.605 3.960 -0.018 0.000 0.296 492 G HA3 -0.344 3.605 3.960 -0.018 0.000 0.296 492 G C 0.023 174.843 174.900 -0.133 0.000 1.022 492 G CA 0.254 45.311 45.100 -0.073 0.000 0.961 492 G HN 0.913 nan 8.290 nan 0.000 0.510 493 R N 0.487 120.871 120.500 -0.193 0.000 2.489 493 R HA 0.449 4.778 4.340 -0.018 0.000 0.287 493 R C 0.862 176.795 176.300 -0.611 0.000 1.053 493 R CA 0.858 56.722 56.100 -0.392 0.000 1.036 493 R CB 0.279 30.335 30.300 -0.406 0.000 0.966 493 R HN 0.468 nan 8.270 nan 0.000 0.432 494 T N 0.635 114.744 114.554 -0.742 0.000 2.838 494 T HA 0.530 4.870 4.350 -0.018 0.000 0.292 494 T C -1.031 173.135 174.700 -0.890 0.000 1.113 494 T CA -0.946 60.713 62.100 -0.736 0.000 1.008 494 T CB 1.249 69.849 68.868 -0.446 0.000 1.259 494 T HN 0.558 nan 8.240 nan 0.000 0.520 495 W N 0.664 121.904 121.300 -0.100 0.000 2.683 495 W HA 0.587 5.237 4.660 -0.017 0.000 0.329 495 W C -1.075 175.417 176.519 -0.046 0.000 1.037 495 W CA -1.187 56.126 57.345 -0.053 0.000 1.232 495 W CB 1.640 31.078 29.460 -0.037 0.000 1.390 495 W HN 0.590 nan 8.180 nan 0.000 0.465 496 I N 4.419 125.079 120.570 0.150 0.000 2.354 496 I HA 0.284 4.443 4.170 -0.018 0.000 0.292 496 I C -0.355 175.850 176.117 0.146 0.000 0.989 496 I CA -0.992 60.376 61.300 0.113 0.000 1.188 496 I CB 1.335 39.371 38.000 0.061 0.000 1.342 496 I HN 0.075 nan 8.210 nan 0.000 0.457 497 I N 6.128 126.790 120.570 0.153 0.000 2.312 497 I HA 0.272 4.431 4.170 -0.018 0.000 0.290 497 I C 0.344 176.547 176.117 0.144 0.000 1.008 497 I CA 0.306 61.690 61.300 0.139 0.000 1.226 497 I CB 1.309 39.383 38.000 0.123 0.000 1.371 497 I HN 0.583 nan 8.210 nan 0.000 0.468 498 S N 4.146 119.919 115.700 0.121 0.000 2.709 498 S HA 0.604 5.064 4.470 -0.018 0.000 0.302 498 S C -0.730 173.929 174.600 0.098 0.000 1.127 498 S CA -0.916 57.354 58.200 0.118 0.000 0.905 498 S CB 1.980 65.234 63.200 0.091 0.000 1.151 498 S HN 0.501 nan 8.310 nan 0.000 0.510 499 N N 1.758 120.508 118.700 0.084 0.000 2.518 499 N HA 0.377 5.106 4.740 -0.018 0.000 0.254 499 N C -2.011 173.521 175.510 0.036 0.000 0.979 499 N CA -2.284 50.801 53.050 0.058 0.000 0.930 499 N CB 1.685 40.199 38.487 0.045 0.000 1.152 499 N HN 0.393 nan 8.380 nan 0.000 0.505 500 P HA -0.063 nan 4.420 nan 0.000 0.225 500 P C 0.069 177.378 177.300 0.015 0.000 1.148 500 P CA 1.154 64.271 63.100 0.027 0.000 0.779 500 P CB 0.554 32.275 31.700 0.034 0.000 0.780 501 E N -0.834 119.374 120.200 0.013 0.000 2.481 501 E HA 0.128 4.468 4.350 -0.018 0.000 0.198 501 E C 0.283 176.875 176.600 -0.014 0.000 1.027 501 E CA -0.030 56.372 56.400 0.003 0.000 0.900 501 E CB 0.385 30.092 29.700 0.011 0.000 0.993 501 E HN 0.013 nan 8.360 nan 0.000 0.482 502 S N 1.229 116.914 115.700 -0.024 0.000 2.707 502 S HA 0.309 4.768 4.470 -0.018 0.000 0.312 502 S C -0.915 173.642 174.600 -0.072 0.000 1.116 502 S CA -0.720 57.446 58.200 -0.057 0.000 1.078 502 S CB 0.472 63.624 63.200 -0.080 0.000 0.997 502 S HN -0.040 nan 8.310 nan 0.000 0.477 503 K N 2.870 123.227 120.400 -0.072 0.000 2.208 503 K HA 0.432 4.742 4.320 -0.018 0.000 0.247 503 K C -0.092 176.450 176.600 -0.095 0.000 0.953 503 K CA -1.045 55.200 56.287 -0.070 0.000 0.837 503 K CB 0.965 33.440 32.500 -0.043 0.000 1.131 503 K HN 0.749 nan 8.250 nan 0.000 0.431 504 N N 0.245 118.891 118.700 -0.091 0.000 2.364 504 N HA 0.024 4.753 4.740 -0.018 0.000 0.264 504 N C 0.637 176.113 175.510 -0.056 0.000 1.263 504 N CA -0.517 52.477 53.050 -0.093 0.000 0.959 504 N CB 0.308 38.748 38.487 -0.079 0.000 1.204 504 N HN 0.571 nan 8.380 nan 0.000 0.550 505 R N -0.661 119.813 120.500 -0.043 0.000 2.341 505 R HA 0.018 4.347 4.340 -0.018 0.000 0.213 505 R C 0.418 176.705 176.300 -0.022 0.000 1.082 505 R CA 1.091 57.174 56.100 -0.028 0.000 1.017 505 R CB -0.686 29.603 30.300 -0.019 0.000 0.860 505 R HN 0.569 nan 8.270 nan 0.000 0.473 506 L N 0.951 122.161 121.223 -0.022 0.000 2.653 506 L HA 0.170 4.500 4.340 -0.018 0.000 0.231 506 L C 0.254 177.113 176.870 -0.017 0.000 1.153 506 L CA -0.085 54.745 54.840 -0.017 0.000 0.933 506 L CB -0.556 41.495 42.059 -0.013 0.000 1.175 506 L HN 0.458 nan 8.230 nan 0.000 0.473 507 N N 1.142 119.829 118.700 -0.022 0.000 2.741 507 N HA -0.162 4.567 4.740 -0.018 0.000 0.250 507 N C -0.277 175.223 175.510 -0.017 0.000 1.115 507 N CA 0.226 53.264 53.050 -0.020 0.000 0.724 507 N CB -0.012 38.466 38.487 -0.015 0.000 1.090 507 N HN 0.359 nan 8.380 nan 0.000 0.558 508 E N 0.290 120.478 120.200 -0.021 0.000 2.212 508 E HA 0.386 4.726 4.350 -0.018 0.000 0.268 508 E C -2.522 174.066 176.600 -0.019 0.000 0.902 508 E CA -1.708 54.684 56.400 -0.014 0.000 0.779 508 E CB 1.632 31.326 29.700 -0.010 0.000 1.172 508 E HN 0.119 nan 8.360 nan 0.000 0.409 509 P HA -0.067 nan 4.420 nan 0.000 0.264 509 P C -0.085 177.217 177.300 0.002 0.000 1.193 509 P CA -0.030 63.069 63.100 -0.002 0.000 0.763 509 P CB 0.374 32.085 31.700 0.017 0.000 0.810 510 V N 1.825 121.727 119.914 -0.019 0.000 2.963 510 V HA 0.767 4.876 4.120 -0.018 0.000 0.306 510 V C 0.550 176.731 176.094 0.145 0.000 1.077 510 V CA 0.221 62.520 62.300 -0.001 0.000 1.124 510 V CB 0.411 32.123 31.823 -0.185 0.000 0.987 510 V HN 0.735 nan 8.190 nan 0.000 0.487 511 G N 2.042 110.983 108.800 0.234 0.000 2.608 511 G HA2 0.593 4.543 3.960 -0.018 0.000 0.291 511 G HA3 0.593 4.543 3.960 -0.018 0.000 0.291 511 G C -2.340 172.691 174.900 0.218 0.000 1.425 511 G CA -0.740 44.507 45.100 0.244 0.000 0.787 511 G HN 0.742 nan 8.290 nan 0.000 0.484 512 Y N -0.027 120.297 120.300 0.041 0.000 2.442 512 Y HA 0.608 5.147 4.550 -0.017 0.000 0.344 512 Y C 0.137 176.058 175.900 0.035 0.000 0.976 512 Y CA -0.794 57.311 58.100 0.008 0.000 1.040 512 Y CB 2.742 41.176 38.460 -0.043 0.000 1.228 512 Y HN 0.494 nan 8.280 nan 0.000 0.451 513 K N 4.169 124.622 120.400 0.089 0.000 2.235 513 K HA 0.497 4.806 4.320 -0.018 0.000 0.266 513 K C -1.575 175.034 176.600 0.015 0.000 0.980 513 K CA -0.855 55.437 56.287 0.008 0.000 0.849 513 K CB 0.921 33.357 32.500 -0.107 0.000 1.098 513 K HN 0.630 nan 8.250 nan 0.000 0.445 514 L N 5.638 126.878 121.223 0.027 0.000 2.281 514 L HA 0.241 4.570 4.340 -0.018 0.000 0.285 514 L C -1.048 175.804 176.870 -0.030 0.000 1.074 514 L CA 0.132 55.023 54.840 0.084 0.000 0.817 514 L CB 0.452 42.580 42.059 0.115 0.000 1.168 514 L HN 0.634 nan 8.230 nan 0.000 0.434 515 H N 5.242 124.414 119.070 0.170 0.000 2.541 515 H HA 0.583 5.128 4.556 -0.018 0.000 0.316 515 H C -0.312 175.147 175.328 0.217 0.000 1.043 515 H CA -0.324 55.820 56.048 0.159 0.000 1.232 515 H CB 1.511 31.355 29.762 0.136 0.000 1.406 515 H HN 0.846 nan 8.280 nan 0.000 0.469 516 A N 2.655 125.671 122.820 0.328 0.000 2.269 516 A HA 0.222 4.531 4.320 -0.018 0.000 0.319 516 A C 0.572 178.444 177.584 0.480 0.000 1.110 516 A CA -0.551 51.721 52.037 0.391 0.000 0.847 516 A CB 0.571 19.843 19.000 0.454 0.000 1.161 516 A HN 0.919 nan 8.150 nan 0.000 0.497 517 H N 0.664 119.917 119.070 0.304 0.000 2.548 517 H HA -0.005 4.540 4.556 -0.018 0.000 0.268 517 H C -0.124 175.323 175.328 0.198 0.000 0.975 517 H CA 0.267 56.444 56.048 0.215 0.000 1.195 517 H CB 0.187 30.069 29.762 0.200 0.000 1.397 517 H HN 0.750 nan 8.280 nan 0.000 0.572 518 N N 2.016 120.936 118.700 0.367 0.000 2.735 518 N HA -0.165 4.564 4.740 -0.018 0.000 0.248 518 N C -0.591 175.050 175.510 0.218 0.000 1.083 518 N CA 0.580 53.792 53.050 0.271 0.000 0.703 518 N CB -0.891 37.713 38.487 0.196 0.000 1.005 518 N HN 0.525 nan 8.380 nan 0.000 0.550 519 Q N -0.189 119.757 119.800 0.243 0.000 2.317 519 Q HA 0.389 4.718 4.340 -0.018 0.000 0.229 519 Q C -1.840 174.246 176.000 0.143 0.000 0.984 519 Q CA -1.146 54.767 55.803 0.183 0.000 0.911 519 Q CB 0.229 29.087 28.738 0.201 0.000 1.217 519 Q HN 0.118 nan 8.270 nan 0.000 0.501 520 P HA -0.014 nan 4.420 nan 0.000 0.267 520 P C -0.187 177.145 177.300 0.053 0.000 1.200 520 P CA 0.288 63.431 63.100 0.072 0.000 0.772 520 P CB 0.476 32.208 31.700 0.052 0.000 0.855 521 T N 0.157 114.735 114.554 0.041 0.000 2.891 521 T HA 0.322 4.661 4.350 -0.018 0.000 0.294 521 T C 0.263 174.941 174.700 -0.037 0.000 1.065 521 T CA -0.900 61.206 62.100 0.010 0.000 0.936 521 T CB 0.025 68.909 68.868 0.028 0.000 1.415 521 T HN 0.176 nan 8.240 nan 0.000 0.572 522 L N 1.119 122.294 121.223 -0.080 0.000 2.628 522 L HA 0.137 4.466 4.340 -0.018 0.000 0.274 522 L C 0.825 177.660 176.870 -0.057 0.000 1.209 522 L CA 0.249 55.025 54.840 -0.106 0.000 0.930 522 L CB -0.527 41.442 42.059 -0.151 0.000 1.183 522 L HN 0.638 nan 8.230 nan 0.000 0.492 523 L N 5.052 126.243 121.223 -0.053 0.000 2.446 523 L HA 0.214 4.543 4.340 -0.018 0.000 0.219 523 L C 1.444 178.311 176.870 -0.005 0.000 1.116 523 L CA 0.193 55.022 54.840 -0.017 0.000 0.844 523 L CB -0.552 41.503 42.059 -0.007 0.000 0.970 523 L HN 0.839 nan 8.230 nan 0.000 0.457 524 A N 0.731 123.540 122.820 -0.018 0.000 2.547 524 A HA -0.110 4.199 4.320 -0.018 0.000 0.233 524 A C 0.300 177.890 177.584 0.010 0.000 1.067 524 A CA -0.034 52.004 52.037 0.002 0.000 0.763 524 A CB -0.047 18.952 19.000 -0.002 0.000 1.007 524 A HN 0.277 nan 8.150 nan 0.000 0.506 525 D N 2.103 122.517 120.400 0.023 0.000 2.455 525 D HA 0.042 4.671 4.640 -0.018 0.000 0.241 525 D C -1.196 175.114 176.300 0.017 0.000 1.138 525 D CA -1.025 52.988 54.000 0.022 0.000 0.877 525 D CB 0.904 41.722 40.800 0.029 0.000 1.187 525 D HN 0.273 nan 8.370 nan 0.000 0.451 526 P HA -0.096 nan 4.420 nan 0.000 0.223 526 P C 0.947 178.252 177.300 0.008 0.000 1.144 526 P CA 0.816 63.920 63.100 0.008 0.000 0.783 526 P CB 0.133 31.837 31.700 0.007 0.000 0.771 527 G N -0.284 108.523 108.800 0.013 0.000 3.189 527 G HA2 0.068 4.018 3.960 -0.018 0.000 0.225 527 G HA3 0.068 4.018 3.960 -0.018 0.000 0.225 527 G C 0.537 175.449 174.900 0.020 0.000 1.159 527 G CA 0.079 45.187 45.100 0.012 0.000 0.763 527 G HN 0.424 nan 8.290 nan 0.000 0.549 528 S N -0.631 115.088 115.700 0.030 0.000 2.603 528 S HA 0.335 4.794 4.470 -0.018 0.000 0.268 528 S C 1.546 176.168 174.600 0.036 0.000 1.317 528 S CA 0.424 58.658 58.200 0.057 0.000 1.012 528 S CB 1.752 64.996 63.200 0.074 0.000 0.926 528 S HN 0.054 nan 8.310 nan 0.000 0.539 529 S N 0.826 116.558 115.700 0.054 0.000 2.370 529 S HA -0.122 4.337 4.470 -0.018 0.000 0.226 529 S C 1.632 176.214 174.600 -0.030 0.000 1.033 529 S CA 0.951 59.114 58.200 -0.062 0.000 1.011 529 S CB -0.631 62.407 63.200 -0.271 0.000 0.852 529 S HN 0.713 nan 8.310 nan 0.000 0.457 530 I N 1.752 122.357 120.570 0.057 0.000 2.394 530 I HA -0.034 4.125 4.170 -0.018 0.000 0.251 530 I C 2.391 178.519 176.117 0.018 0.000 1.136 530 I CA 1.421 62.761 61.300 0.068 0.000 1.425 530 I CB -1.463 36.586 38.000 0.081 0.000 1.079 530 I HN 0.386 nan 8.210 nan 0.000 0.425 531 A N 0.958 123.780 122.820 0.002 0.000 1.972 531 A HA -0.187 4.122 4.320 -0.018 0.000 0.219 531 A C 2.367 179.938 177.584 -0.022 0.000 1.169 531 A CA 1.203 53.227 52.037 -0.021 0.000 0.635 531 A CB -0.440 18.555 19.000 -0.008 0.000 0.810 531 A HN 0.441 nan 8.150 nan 0.000 0.446 532 R N -0.949 119.538 120.500 -0.022 0.000 2.066 532 R HA 0.052 4.382 4.340 -0.018 0.000 0.224 532 R C 2.376 178.654 176.300 -0.036 0.000 1.122 532 R CA 1.051 57.127 56.100 -0.040 0.000 0.974 532 R CB -0.280 29.980 30.300 -0.068 0.000 0.871 532 R HN 0.424 nan 8.270 nan 0.000 0.435 533 R N 0.536 121.028 120.500 -0.013 0.000 2.120 533 R HA 0.001 4.330 4.340 -0.018 0.000 0.234 533 R C 1.075 177.485 176.300 0.184 0.000 1.123 533 R CA 1.274 57.393 56.100 0.032 0.000 0.975 533 R CB 0.045 30.381 30.300 0.060 0.000 0.866 533 R HN 0.104 nan 8.270 nan 0.000 0.446 534 A N 0.163 123.082 122.820 0.165 0.000 2.965 534 A HA 0.491 4.800 4.320 -0.018 0.000 0.304 534 A C 1.296 178.747 177.584 -0.221 0.000 1.214 534 A CA 0.052 52.128 52.037 0.065 0.000 0.977 534 A CB 0.196 19.134 19.000 -0.104 0.000 1.127 534 A HN 0.256 nan 8.150 nan 0.000 0.572 535 A N 0.475 123.258 122.820 -0.062 0.000 1.948 535 A HA -0.117 4.192 4.320 -0.018 0.000 0.220 535 A C 1.819 179.374 177.584 -0.049 0.000 1.177 535 A CA 1.913 53.923 52.037 -0.046 0.000 0.636 535 A CB -1.000 17.991 19.000 -0.015 0.000 0.815 535 A HN 1.366 nan 8.150 nan 0.000 0.449 536 F N -0.197 119.621 119.950 -0.220 0.000 2.250 536 F HA 0.012 4.529 4.527 -0.018 0.000 0.301 536 F C 2.021 177.877 175.800 0.094 0.000 1.077 536 F CA 0.807 58.588 58.000 -0.366 0.000 1.348 536 F CB -0.920 37.772 39.000 -0.514 0.000 1.040 536 F HN 0.157 nan 8.300 nan 0.000 0.509 537 A N 0.502 122.695 122.820 -1.045 0.000 2.206 537 A HA -0.006 4.303 4.320 -0.018 0.000 0.211 537 A C 2.097 179.563 177.584 -0.197 0.000 1.158 537 A CA 1.277 52.893 52.037 -0.702 0.000 0.761 537 A CB -1.452 16.974 19.000 -0.956 0.000 0.801 537 A HN 0.574 nan 8.150 nan 0.000 0.473 538 T N -3.510 111.021 114.554 -0.038 0.000 3.081 538 T HA 0.191 4.530 4.350 -0.018 0.000 0.255 538 T C 0.633 175.376 174.700 0.071 0.000 1.113 538 T CA 0.235 62.352 62.100 0.027 0.000 1.082 538 T CB 0.131 69.027 68.868 0.046 0.000 0.939 538 T HN 0.110 nan 8.240 nan 0.000 0.506 539 K N 1.113 121.619 120.400 0.177 0.000 2.426 539 K HA 0.383 4.693 4.320 -0.018 0.000 0.251 539 K C -0.507 176.177 176.600 0.139 0.000 0.941 539 K CA -0.449 55.853 56.287 0.025 0.000 0.808 539 K CB 2.204 34.460 32.500 -0.407 0.000 1.265 539 K HN -0.039 nan 8.250 nan 0.000 0.432 540 D N 0.437 120.870 120.400 0.056 0.000 2.149 540 D HA -0.040 4.589 4.640 -0.018 0.000 0.201 540 D C 0.026 176.385 176.300 0.098 0.000 0.972 540 D CA 0.850 54.929 54.000 0.132 0.000 0.835 540 D CB 0.274 41.195 40.800 0.201 0.000 0.966 540 D HN 0.112 nan 8.370 nan 0.000 0.476 541 L N -0.254 120.863 121.223 -0.177 0.000 2.464 541 L HA 0.454 4.784 4.340 -0.018 0.000 0.266 541 L C -1.975 174.753 176.870 -0.236 0.000 0.965 541 L CA -0.619 54.072 54.840 -0.248 0.000 0.833 541 L CB 1.508 42.980 42.059 -0.978 0.000 1.296 541 L HN -0.116 nan 8.230 nan 0.000 0.405 542 W N 4.235 125.518 121.300 -0.028 0.000 2.819 542 W HA 0.764 5.413 4.660 -0.018 0.000 0.337 542 W C -1.193 175.414 176.519 0.146 0.000 1.077 542 W CA -0.859 56.501 57.345 0.026 0.000 1.226 542 W CB 1.968 31.419 29.460 -0.015 0.000 1.419 542 W HN 0.143 nan 8.180 nan 0.000 0.502 543 V N 2.671 122.779 119.914 0.324 0.000 2.483 543 V HA 0.704 4.814 4.120 -0.018 0.000 0.297 543 V C -0.059 176.211 176.094 0.294 0.000 1.027 543 V CA -0.805 61.677 62.300 0.304 0.000 0.855 543 V CB 1.370 33.292 31.823 0.165 0.000 0.995 543 V HN 0.597 nan 8.190 nan 0.000 0.424 544 T N 1.621 116.400 114.554 0.374 0.000 2.930 544 T HA 0.768 5.107 4.350 -0.018 0.000 0.290 544 T C -0.452 174.380 174.700 0.219 0.000 1.052 544 T CA -0.961 61.309 62.100 0.283 0.000 1.017 544 T CB 2.165 71.233 68.868 0.334 0.000 1.137 544 T HN 0.519 nan 8.240 nan 0.000 0.511 545 R N 0.701 121.285 120.500 0.139 0.000 2.390 545 R HA 0.354 4.683 4.340 -0.018 0.000 0.291 545 R C -0.921 175.427 176.300 0.080 0.000 1.070 545 R CA -0.924 55.240 56.100 0.107 0.000 1.014 545 R CB -0.411 29.928 30.300 0.065 0.000 1.007 545 R HN 0.774 nan 8.270 nan 0.000 0.466 546 Y N 3.152 123.452 120.300 0.000 0.000 2.712 546 Y HA 0.308 4.848 4.550 -0.018 0.000 0.333 546 Y C -0.793 175.059 175.900 -0.081 0.000 1.225 546 Y CA 0.825 58.896 58.100 -0.049 0.000 1.499 546 Y CB 0.414 38.809 38.460 -0.108 0.000 1.288 546 Y HN 0.737 nan 8.280 nan 0.000 0.575 547 A N 5.452 127.585 122.820 -1.145 0.000 2.488 547 A HA 0.300 4.609 4.320 -0.018 0.000 0.298 547 A C 0.245 177.215 177.584 -1.023 0.000 1.044 547 A CA -0.620 50.915 52.037 -0.837 0.000 0.693 547 A CB 0.917 19.643 19.000 -0.456 0.000 1.272 547 A HN 0.791 nan 8.150 nan 0.000 0.402 548 D N 1.120 121.158 120.400 -0.602 0.000 2.158 548 D HA -0.173 4.457 4.640 -0.018 0.000 0.197 548 D C 0.900 177.032 176.300 -0.280 0.000 0.995 548 D CA 2.089 55.900 54.000 -0.314 0.000 0.846 548 D CB 0.129 40.870 40.800 -0.099 0.000 0.941 548 D HN 0.782 nan 8.370 nan 0.000 0.456 549 D N 0.148 120.374 120.400 -0.291 0.000 2.339 549 D HA -0.055 4.574 4.640 -0.018 0.000 0.217 549 D C -0.078 176.022 176.300 -0.333 0.000 1.050 549 D CA 0.060 53.916 54.000 -0.240 0.000 0.856 549 D CB -0.323 40.380 40.800 -0.161 0.000 0.922 549 D HN 0.163 nan 8.370 nan 0.000 0.518 550 E N 0.887 120.800 120.200 -0.477 0.000 2.079 550 E HA 0.300 4.639 4.350 -0.018 0.000 0.252 550 E C 0.439 176.889 176.600 -0.249 0.000 0.992 550 E CA -0.270 55.755 56.400 -0.626 0.000 0.829 550 E CB 1.050 30.166 29.700 -0.974 0.000 1.158 550 E HN 0.158 nan 8.360 nan 0.000 0.435 551 R N 1.149 121.481 120.500 -0.280 0.000 2.142 551 R HA 0.118 4.447 4.340 -0.018 0.000 0.204 551 R C -0.011 175.978 176.300 -0.519 0.000 1.059 551 R CA 0.616 56.385 56.100 -0.551 0.000 1.055 551 R CB 0.366 30.020 30.300 -1.077 0.000 0.976 551 R HN 0.281 nan 8.270 nan 0.000 0.483 552 Y N 0.409 120.835 120.300 0.210 0.000 2.485 552 Y HA 0.312 4.851 4.550 -0.018 0.000 0.345 552 Y C -1.784 174.150 175.900 0.057 0.000 0.998 552 Y CA -3.250 54.941 58.100 0.152 0.000 1.059 552 Y CB 1.154 39.579 38.460 -0.059 0.000 1.234 552 Y HN -0.170 nan 8.280 nan 0.000 0.461 553 P HA -0.100 nan 4.420 nan 0.000 0.225 553 P C 0.653 177.719 177.300 -0.391 0.000 1.148 553 P CA 1.492 64.304 63.100 -0.479 0.000 0.779 553 P CB 0.130 31.440 31.700 -0.650 0.000 0.780 554 T N -4.874 109.553 114.554 -0.213 0.000 3.085 554 T HA 0.499 4.839 4.350 -0.018 0.000 0.264 554 T C 0.919 175.547 174.700 -0.120 0.000 1.019 554 T CA 0.101 62.113 62.100 -0.147 0.000 0.910 554 T CB -0.127 68.656 68.868 -0.142 0.000 1.059 554 T HN 0.331 nan 8.240 nan 0.000 0.542 555 G N 1.574 110.348 108.800 -0.043 0.000 2.796 555 G HA2 -0.184 3.765 3.960 -0.018 0.000 0.571 555 G HA3 -0.184 3.765 3.960 -0.018 0.000 0.571 555 G C -0.119 174.754 174.900 -0.044 0.000 1.370 555 G CA -0.129 44.967 45.100 -0.007 0.000 0.856 555 G HN 0.181 nan 8.290 nan 0.000 0.538 556 D N -0.530 119.743 120.400 -0.212 0.000 2.144 556 D HA 0.040 4.669 4.640 -0.018 0.000 0.200 556 D C 0.934 176.613 176.300 -1.036 0.000 0.978 556 D CA 1.534 55.172 54.000 -0.604 0.000 0.833 556 D CB -0.051 40.148 40.800 -1.002 0.000 0.961 556 D HN 0.240 nan 8.370 nan 0.000 0.470 557 F N 0.122 119.877 119.950 -0.325 0.000 2.366 557 F HA 0.231 4.747 4.527 -0.018 0.000 0.366 557 F C 1.052 176.646 175.800 -0.344 0.000 1.096 557 F CA -0.689 57.084 58.000 -0.379 0.000 1.060 557 F CB 1.604 40.334 39.000 -0.450 0.000 1.282 557 F HN -0.365 nan 8.300 nan 0.000 0.450 558 V N 0.258 120.056 119.914 -0.193 0.000 2.685 558 V HA -0.059 4.050 4.120 -0.018 0.000 0.244 558 V C 1.058 177.027 176.094 -0.208 0.000 1.054 558 V CA 0.250 62.383 62.300 -0.280 0.000 1.076 558 V CB -0.459 31.051 31.823 -0.522 0.000 0.725 558 V HN 0.682 nan 8.190 nan 0.000 0.467 559 N N 1.659 120.279 118.700 -0.133 0.000 2.365 559 N HA -0.079 4.650 4.740 -0.018 0.000 0.265 559 N C 0.550 176.038 175.510 -0.038 0.000 1.288 559 N CA 0.787 53.789 53.050 -0.079 0.000 0.869 559 N CB -0.187 38.259 38.487 -0.067 0.000 1.071 559 N HN 0.446 nan 8.380 nan 0.000 0.480 560 Q N 0.153 119.935 119.800 -0.030 0.000 2.461 560 Q HA -0.311 4.018 4.340 -0.018 0.000 0.273 560 Q C -0.787 175.211 176.000 -0.003 0.000 1.163 560 Q CA 0.958 56.745 55.803 -0.026 0.000 0.929 560 Q CB -1.538 27.185 28.738 -0.025 0.000 1.334 560 Q HN 0.695 nan 8.270 nan 0.000 0.499 561 H N -0.181 118.809 119.070 -0.134 0.000 2.469 561 H HA 0.432 4.977 4.556 -0.018 0.000 0.342 561 H C 0.284 175.527 175.328 -0.142 0.000 1.115 561 H CA 0.118 56.089 56.048 -0.128 0.000 1.204 561 H CB 1.158 30.848 29.762 -0.120 0.000 1.492 561 H HN 0.280 nan 8.280 nan 0.000 0.499 562 S N 2.890 118.175 115.700 -0.692 0.000 2.652 562 S HA 0.365 4.825 4.470 -0.018 0.000 0.267 562 S C 0.863 175.067 174.600 -0.660 0.000 1.201 562 S CA -0.339 57.538 58.200 -0.538 0.000 0.996 562 S CB 0.938 63.911 63.200 -0.378 0.000 1.054 562 S HN 0.724 nan 8.310 nan 0.000 0.561 563 G N -1.627 106.962 108.800 -0.351 0.000 2.651 563 G HA2 0.484 4.434 3.960 -0.018 0.000 0.260 563 G HA3 0.484 4.434 3.960 -0.018 0.000 0.260 563 G C 0.833 175.598 174.900 -0.225 0.000 1.216 563 G CA -0.304 44.653 45.100 -0.238 0.000 0.913 563 G HN 1.881 nan 8.290 nan 0.000 0.535 564 G N -1.801 106.924 108.800 -0.125 0.000 2.705 564 G HA2 0.340 4.290 3.960 -0.018 0.000 0.193 564 G HA3 0.340 4.290 3.960 -0.018 0.000 0.193 564 G C 0.433 175.310 174.900 -0.040 0.000 1.015 564 G CA 0.786 45.846 45.100 -0.068 0.000 0.743 564 G HN 1.685 nan 8.290 nan 0.000 0.476 565 A N -0.252 122.557 122.820 -0.017 0.000 2.889 565 A HA 1.051 5.361 4.320 -0.018 0.000 0.235 565 A C 1.517 178.894 177.584 -0.345 0.000 1.307 565 A CA 0.966 52.942 52.037 -0.101 0.000 0.917 565 A CB 0.275 19.281 19.000 0.010 0.000 1.546 565 A HN 2.285 nan 8.150 nan 0.000 0.472 566 G N -1.943 106.513 108.800 -0.573 0.000 2.697 566 G HA2 -0.138 3.811 3.960 -0.018 0.000 0.240 566 G HA3 -0.138 3.811 3.960 -0.018 0.000 0.240 566 G C 0.734 174.710 174.900 -1.541 0.000 1.346 566 G CA 0.070 44.611 45.100 -0.930 0.000 0.887 566 G HN 1.242 nan 8.290 nan 0.000 0.569 567 L N 0.909 121.390 121.223 -1.236 0.000 2.034 567 L HA -0.172 4.157 4.340 -0.018 0.000 0.217 567 L C 0.429 176.917 176.870 -0.636 0.000 1.077 567 L CA 2.933 57.125 54.840 -1.080 0.000 0.769 567 L CB -1.287 39.936 42.059 -1.394 0.000 0.890 567 L HN 0.483 nan 8.230 nan 0.000 0.435 568 P HA -0.174 nan 4.420 nan 0.000 0.215 568 P C 1.812 179.036 177.300 -0.126 0.000 1.153 568 P CA 1.942 64.970 63.100 -0.120 0.000 0.853 568 P CB -0.046 31.609 31.700 -0.076 0.000 0.788 569 S N -2.376 113.169 115.700 -0.257 0.000 2.406 569 S HA -0.169 4.290 4.470 -0.018 0.000 0.228 569 S C 1.853 176.450 174.600 -0.006 0.000 1.020 569 S CA 0.837 58.956 58.200 -0.135 0.000 0.965 569 S CB -1.561 61.551 63.200 -0.146 0.000 0.798 569 S HN 0.011 nan 8.310 nan 0.000 0.488 570 Y N 1.648 121.879 120.300 -0.114 0.000 2.133 570 Y HA 0.135 4.675 4.550 -0.018 0.000 0.287 570 Y C 2.296 178.166 175.900 -0.050 0.000 1.134 570 Y CA -0.429 57.607 58.100 -0.108 0.000 1.133 570 Y CB -1.352 36.992 38.460 -0.193 0.000 0.987 570 Y HN 0.208 nan 8.280 nan 0.000 0.502 571 I N 0.508 121.156 120.570 0.130 0.000 2.423 571 I HA -0.272 3.888 4.170 -0.018 0.000 0.254 571 I C 2.445 178.613 176.117 0.086 0.000 1.151 571 I CA 1.326 62.699 61.300 0.121 0.000 1.421 571 I CB -1.045 37.059 38.000 0.174 0.000 1.079 571 I HN 0.152 nan 8.210 nan 0.000 0.431 572 A N -0.335 122.525 122.820 0.067 0.000 2.019 572 A HA -0.251 4.059 4.320 -0.018 0.000 0.219 572 A C 2.176 179.786 177.584 0.044 0.000 1.164 572 A CA 1.372 53.437 52.037 0.047 0.000 0.644 572 A CB -0.616 18.403 19.000 0.031 0.000 0.805 572 A HN 0.569 nan 8.150 nan 0.000 0.449 573 Q N -1.107 118.725 119.800 0.053 0.000 2.437 573 Q HA -0.092 4.237 4.340 -0.018 0.000 0.210 573 Q C 0.096 176.119 176.000 0.038 0.000 0.972 573 Q CA 0.465 56.293 55.803 0.040 0.000 0.903 573 Q CB -0.186 28.574 28.738 0.037 0.000 0.967 573 Q HN 0.608 nan 8.270 nan 0.000 0.486 574 D N 1.079 121.506 120.400 0.046 0.000 2.692 574 D HA -0.183 4.447 4.640 -0.018 0.000 0.233 574 D C -0.891 175.434 176.300 0.042 0.000 1.172 574 D CA 0.608 54.634 54.000 0.044 0.000 0.636 574 D CB -0.504 40.317 40.800 0.034 0.000 1.028 574 D HN 0.230 nan 8.370 nan 0.000 0.419 575 R N 0.484 121.012 120.500 0.046 0.000 2.615 575 R HA 0.299 4.628 4.340 -0.018 0.000 0.270 575 R C 0.258 176.587 176.300 0.050 0.000 1.081 575 R CA -0.553 55.573 56.100 0.043 0.000 1.154 575 R CB 0.416 30.739 30.300 0.040 0.000 1.063 575 R HN 0.189 nan 8.270 nan 0.000 0.519 576 D N 2.021 122.448 120.400 0.045 0.000 2.417 576 D HA 0.019 4.648 4.640 -0.018 0.000 0.250 576 D C 0.488 176.824 176.300 0.060 0.000 1.166 576 D CA 0.016 54.045 54.000 0.049 0.000 0.881 576 D CB 0.547 41.372 40.800 0.041 0.000 1.164 576 D HN 0.558 nan 8.370 nan 0.000 0.467 577 I N -0.255 120.355 120.570 0.067 0.000 4.102 577 I HA 0.341 4.500 4.170 -0.018 0.000 0.325 577 I C 0.069 176.233 176.117 0.078 0.000 1.471 577 I CA -0.526 60.822 61.300 0.081 0.000 1.133 577 I CB 0.483 38.540 38.000 0.095 0.000 1.184 577 I HN 0.086 nan 8.210 nan 0.000 0.451 578 D N 2.956 123.395 120.400 0.066 0.000 2.468 578 D HA 0.375 5.004 4.640 -0.018 0.000 0.218 578 D C 1.075 177.411 176.300 0.059 0.000 1.155 578 D CA 0.522 54.559 54.000 0.062 0.000 0.924 578 D CB 0.470 41.302 40.800 0.052 0.000 1.029 578 D HN 0.548 nan 8.370 nan 0.000 0.515 579 G N 3.263 112.103 108.800 0.067 0.000 2.341 579 G HA2 -0.180 3.770 3.960 -0.018 0.000 0.278 579 G HA3 -0.180 3.770 3.960 -0.018 0.000 0.278 579 G C -0.109 174.834 174.900 0.071 0.000 1.111 579 G CA -0.269 44.870 45.100 0.065 0.000 0.982 579 G HN 0.482 nan 8.290 nan 0.000 0.502 580 Q N -0.767 119.083 119.800 0.084 0.000 2.687 580 Q HA 0.381 4.710 4.340 -0.018 0.000 0.305 580 Q C -1.003 175.064 176.000 0.111 0.000 1.006 580 Q CA -0.923 54.931 55.803 0.086 0.000 0.763 580 Q CB 0.944 29.727 28.738 0.074 0.000 1.506 580 Q HN 0.234 nan 8.270 nan 0.000 0.459 581 D N 1.957 122.414 120.400 0.095 0.000 2.359 581 D HA 0.284 4.913 4.640 -0.018 0.000 0.250 581 D C -0.367 176.014 176.300 0.135 0.000 1.264 581 D CA 0.067 54.123 54.000 0.093 0.000 0.911 581 D CB -0.328 40.424 40.800 -0.081 0.000 1.056 581 D HN 0.425 nan 8.370 nan 0.000 0.499 582 I N 0.022 120.685 120.570 0.155 0.000 2.910 582 I HA 0.676 4.835 4.170 -0.018 0.000 0.310 582 I C -0.904 175.298 176.117 0.142 0.000 1.043 582 I CA -1.070 60.323 61.300 0.156 0.000 1.053 582 I CB 2.187 40.269 38.000 0.138 0.000 1.242 582 I HN -0.106 nan 8.210 nan 0.000 0.452 583 V N 3.647 123.647 119.914 0.144 0.000 2.588 583 V HA 0.425 4.534 4.120 -0.018 0.000 0.304 583 V C -0.169 175.946 176.094 0.034 0.000 1.042 583 V CA -0.681 61.632 62.300 0.021 0.000 0.877 583 V CB 1.854 33.650 31.823 -0.045 0.000 0.996 583 V HN 0.568 nan 8.190 nan 0.000 0.425 584 V N 3.584 123.443 119.914 -0.092 0.000 2.427 584 V HA 0.462 4.571 4.120 -0.018 0.000 0.286 584 V C -1.133 174.902 176.094 -0.097 0.000 1.034 584 V CA -0.452 61.856 62.300 0.013 0.000 0.893 584 V CB 1.630 33.446 31.823 -0.012 0.000 0.982 584 V HN 0.918 nan 8.190 nan 0.000 0.452 585 W N 4.121 125.464 121.300 0.072 0.000 2.336 585 W HA 0.501 5.151 4.660 -0.018 0.000 0.315 585 W C -0.159 176.458 176.519 0.163 0.000 1.016 585 W CA -0.655 56.738 57.345 0.081 0.000 1.318 585 W CB 0.473 29.957 29.460 0.040 0.000 1.247 585 W HN 0.599 nan 8.180 nan 0.000 0.414 586 H N 1.631 120.782 119.070 0.135 0.000 2.504 586 H HA 0.521 5.067 4.556 -0.018 0.000 0.322 586 H C -0.339 175.169 175.328 0.301 0.000 1.055 586 H CA -0.222 55.873 56.048 0.078 0.000 1.231 586 H CB 1.029 30.632 29.762 -0.264 0.000 1.417 586 H HN 0.164 nan 8.280 nan 0.000 0.472 587 T N 7.290 121.842 114.554 -0.002 0.000 2.806 587 T HA 0.428 4.767 4.350 -0.018 0.000 0.290 587 T C -1.013 173.609 174.700 -0.130 0.000 0.966 587 T CA -0.255 61.878 62.100 0.055 0.000 1.060 587 T CB -0.277 68.725 68.868 0.224 0.000 0.927 587 T HN 0.495 nan 8.240 nan 0.000 0.485 588 F N -0.054 119.792 119.950 -0.174 0.000 2.641 588 F HA 0.861 5.378 4.527 -0.017 0.000 0.308 588 F C -0.256 175.638 175.800 0.156 0.000 1.105 588 F CA -1.170 56.791 58.000 -0.064 0.000 0.964 588 F CB 1.097 40.034 39.000 -0.105 0.000 1.294 588 F HN 0.804 nan 8.300 nan 0.000 0.442 589 G N 1.597 110.509 108.800 0.187 0.000 2.550 589 G HA2 0.584 4.533 3.960 -0.018 0.000 0.293 589 G HA3 0.584 4.533 3.960 -0.018 0.000 0.293 589 G C -2.524 172.478 174.900 0.170 0.000 1.402 589 G CA -1.115 44.087 45.100 0.169 0.000 0.784 589 G HN 0.837 nan 8.290 nan 0.000 0.482 590 L N 0.332 121.653 121.223 0.163 0.000 2.334 590 L HA 0.612 4.941 4.340 -0.018 0.000 0.276 590 L C -0.108 176.763 176.870 0.001 0.000 1.014 590 L CA -0.715 54.187 54.840 0.102 0.000 0.815 590 L CB 2.440 44.574 42.059 0.125 0.000 1.268 590 L HN 0.441 nan 8.230 nan 0.000 0.428 591 T N 0.691 115.199 114.554 -0.077 0.000 2.756 591 T HA 0.234 4.573 4.350 -0.018 0.000 0.290 591 T C -0.665 173.823 174.700 -0.352 0.000 0.985 591 T CA -0.251 61.691 62.100 -0.263 0.000 0.955 591 T CB 0.114 68.843 68.868 -0.232 0.000 0.930 591 T HN 0.422 nan 8.240 nan 0.000 0.451 592 H N 3.152 121.824 119.070 -0.663 0.000 2.597 592 H HA 0.389 4.935 4.556 -0.018 0.000 0.303 592 H C -1.100 173.774 175.328 -0.756 0.000 1.057 592 H CA -1.064 54.618 56.048 -0.611 0.000 1.261 592 H CB 0.313 29.725 29.762 -0.584 0.000 1.397 592 H HN 0.433 nan 8.280 nan 0.000 0.461 593 F N 6.708 126.625 119.950 -0.055 0.000 2.307 593 F HA 0.276 4.792 4.527 -0.018 0.000 0.369 593 F C -2.032 173.784 175.800 0.026 0.000 1.076 593 F CA -2.589 55.224 58.000 -0.310 0.000 1.149 593 F CB 0.778 39.477 39.000 -0.502 0.000 1.410 593 F HN 0.527 nan 8.300 nan 0.000 0.481 594 P HA 0.011 nan 4.420 nan 0.000 0.263 594 P C -0.291 177.142 177.300 0.222 0.000 1.175 594 P CA 0.371 63.536 63.100 0.108 0.000 0.761 594 P CB 0.592 32.305 31.700 0.021 0.000 0.794 595 R N 1.651 122.294 120.500 0.239 0.000 2.758 595 R HA 0.348 4.677 4.340 -0.018 0.000 0.265 595 R C 1.155 177.549 176.300 0.157 0.000 1.016 595 R CA -1.012 55.190 56.100 0.170 0.000 1.040 595 R CB 0.576 30.967 30.300 0.152 0.000 1.152 595 R HN 0.108 nan 8.270 nan 0.000 0.503 596 V N 1.302 121.284 119.914 0.113 0.000 2.490 596 V HA -0.204 3.905 4.120 -0.018 0.000 0.250 596 V C 1.436 177.631 176.094 0.168 0.000 1.061 596 V CA 1.802 64.175 62.300 0.122 0.000 1.064 596 V CB -0.532 31.336 31.823 0.074 0.000 0.670 596 V HN 0.699 nan 8.190 nan 0.000 0.461 597 E N 0.089 120.369 120.200 0.132 0.000 2.333 597 E HA -0.164 4.176 4.350 -0.018 0.000 0.198 597 E C 1.621 178.301 176.600 0.133 0.000 1.007 597 E CA 0.864 57.332 56.400 0.114 0.000 0.845 597 E CB -0.231 29.517 29.700 0.081 0.000 0.766 597 E HN 0.579 nan 8.360 nan 0.000 0.507 598 D N -1.024 119.492 120.400 0.194 0.000 2.355 598 D HA -0.066 4.563 4.640 -0.018 0.000 0.218 598 D C -0.206 176.251 176.300 0.263 0.000 1.004 598 D CA 0.269 54.401 54.000 0.220 0.000 0.880 598 D CB 0.102 41.088 40.800 0.310 0.000 0.911 598 D HN 0.222 nan 8.370 nan 0.000 0.528 599 W N 2.320 123.654 121.300 0.057 0.000 2.606 599 W HA 0.218 4.867 4.660 -0.018 0.000 0.332 599 W C -1.915 174.637 176.519 0.054 0.000 1.052 599 W CA -1.958 55.419 57.345 0.053 0.000 1.223 599 W CB 2.070 31.558 29.460 0.046 0.000 1.383 599 W HN -0.195 nan 8.180 nan 0.000 0.524 600 P HA 0.093 nan 4.420 nan 0.000 0.240 600 P C 0.040 176.938 177.300 -0.670 0.000 1.190 600 P CA 0.678 62.874 63.100 -1.506 0.000 0.781 600 P CB 1.319 32.302 31.700 -1.195 0.000 0.931 601 I N 1.652 122.000 120.570 -0.369 0.000 2.534 601 I HA 0.271 4.430 4.170 -0.018 0.000 0.288 601 I C -0.541 175.458 176.117 -0.198 0.000 1.077 601 I CA -1.874 59.197 61.300 -0.382 0.000 1.051 601 I CB 2.187 39.692 38.000 -0.826 0.000 1.234 601 I HN -0.146 nan 8.210 nan 0.000 0.425 602 M N 9.874 129.408 119.600 -0.110 0.000 2.216 602 M HA 0.600 5.069 4.480 -0.018 0.000 0.356 602 M C -2.556 173.715 176.300 -0.048 0.000 1.205 602 M CA -1.252 54.036 55.300 -0.021 0.000 1.122 602 M CB 1.031 33.676 32.600 0.076 0.000 1.571 602 M HN 0.250 nan 8.290 nan 0.000 0.464 603 P HA 0.121 nan 4.420 nan 0.000 0.275 603 P C -0.441 176.844 177.300 -0.025 0.000 1.228 603 P CA -0.393 62.689 63.100 -0.031 0.000 0.786 603 P CB 0.845 32.535 31.700 -0.017 0.000 0.927 604 V N 2.829 122.731 119.914 -0.020 0.000 2.694 604 V HA -0.038 4.071 4.120 -0.018 0.000 0.306 604 V C 0.786 176.856 176.094 -0.039 0.000 1.054 604 V CA 1.094 63.384 62.300 -0.015 0.000 1.161 604 V CB -0.152 31.676 31.823 0.008 0.000 0.916 604 V HN 0.651 nan 8.190 nan 0.000 0.490 605 D N 2.158 122.522 120.400 -0.060 0.000 2.457 605 D HA 0.659 5.288 4.640 -0.018 0.000 0.240 605 D C -0.304 175.955 176.300 -0.069 0.000 1.041 605 D CA -0.227 53.730 54.000 -0.072 0.000 0.861 605 D CB 2.264 42.994 40.800 -0.117 0.000 1.394 605 D HN 0.731 nan 8.370 nan 0.000 0.473 606 T N -1.074 113.449 114.554 -0.052 0.000 2.916 606 T HA 0.780 5.120 4.350 -0.018 0.000 0.292 606 T C -0.806 173.898 174.700 0.008 0.000 1.055 606 T CA -0.823 61.240 62.100 -0.063 0.000 1.009 606 T CB 1.588 70.409 68.868 -0.078 0.000 1.118 606 T HN 0.251 nan 8.240 nan 0.000 0.497 607 V N -0.125 119.774 119.914 -0.026 0.000 3.147 607 V HA 0.867 4.976 4.120 -0.018 0.000 0.299 607 V C -0.200 175.834 176.094 -0.099 0.000 1.302 607 V CA 0.558 62.910 62.300 0.087 0.000 1.015 607 V CB 1.675 33.596 31.823 0.162 0.000 1.086 607 V HN 1.675 nan 8.190 nan 0.000 0.437 608 G N 2.924 111.489 108.800 -0.391 0.000 2.435 608 G HA2 0.672 4.622 3.960 -0.018 0.000 0.228 608 G HA3 0.672 4.622 3.960 -0.018 0.000 0.228 608 G C -1.427 172.904 174.900 -0.948 0.000 1.198 608 G CA 0.249 44.948 45.100 -0.669 0.000 0.948 608 G HN 1.970 nan 8.290 nan 0.000 0.487 609 F N -0.939 118.640 119.950 -0.619 0.000 2.807 609 F HA 0.855 5.371 4.527 -0.018 0.000 0.316 609 F C -1.109 174.666 175.800 -0.042 0.000 1.162 609 F CA -0.914 56.911 58.000 -0.291 0.000 0.910 609 F CB 1.453 40.293 39.000 -0.267 0.000 1.314 609 F HN 0.839 nan 8.300 nan 0.000 0.454 610 K N 0.928 121.504 120.400 0.294 0.000 2.556 610 K HA 0.826 5.136 4.320 -0.018 0.000 0.274 610 K C -2.494 174.347 176.600 0.401 0.000 0.966 610 K CA -1.033 55.408 56.287 0.258 0.000 0.865 610 K CB 2.600 35.201 32.500 0.169 0.000 1.444 610 K HN 0.716 nan 8.250 nan 0.000 0.433 611 L N 1.663 123.121 121.223 0.392 0.000 2.376 611 L HA 0.545 4.874 4.340 -0.018 0.000 0.275 611 L C -0.503 176.639 176.870 0.454 0.000 0.987 611 L CA -0.527 54.571 54.840 0.429 0.000 0.828 611 L CB 1.965 44.289 42.059 0.441 0.000 1.249 611 L HN 0.558 nan 8.230 nan 0.000 0.409 612 R N 3.445 124.133 120.500 0.314 0.000 2.664 612 R HA 0.553 4.882 4.340 -0.018 0.000 0.286 612 R C -2.533 173.539 176.300 -0.379 0.000 0.967 612 R CA -1.895 54.261 56.100 0.094 0.000 0.933 612 R CB 1.759 32.134 30.300 0.125 0.000 1.146 612 R HN 0.296 nan 8.270 nan 0.000 0.468 613 P HA -0.019 nan 4.420 nan 0.000 0.268 613 P C -0.733 176.345 177.300 -0.370 0.000 1.205 613 P CA 0.166 62.620 63.100 -1.076 0.000 0.771 613 P CB 0.760 32.179 31.700 -0.469 0.000 0.858 614 E N 1.955 121.999 120.200 -0.259 0.000 2.675 614 E HA 0.440 4.779 4.350 -0.018 0.000 0.236 614 E C 0.724 177.322 176.600 -0.003 0.000 1.059 614 E CA -0.338 56.021 56.400 -0.068 0.000 0.775 614 E CB -0.539 29.138 29.700 -0.037 0.000 1.356 614 E HN 0.675 nan 8.360 nan 0.000 0.403 615 G N 3.290 112.101 108.800 0.019 0.000 2.153 615 G HA2 -0.370 3.579 3.960 -0.018 0.000 0.252 615 G HA3 -0.370 3.579 3.960 -0.018 0.000 0.252 615 G C 0.574 175.479 174.900 0.010 0.000 0.994 615 G CA 0.419 45.532 45.100 0.023 0.000 0.698 615 G HN 0.544 nan 8.290 nan 0.000 0.521 616 F N 0.159 119.991 119.950 -0.197 0.000 2.163 616 F HA 0.446 4.962 4.527 -0.018 0.000 0.297 616 F C 1.304 176.822 175.800 -0.470 0.000 1.094 616 F CA 0.684 58.465 58.000 -0.364 0.000 1.290 616 F CB 0.026 38.690 39.000 -0.559 0.000 1.017 616 F HN 0.122 nan 8.300 nan 0.000 0.483 617 F N 0.251 120.225 119.950 0.040 0.000 2.408 617 F HA 0.234 4.749 4.527 -0.019 0.000 0.325 617 F C 1.340 177.107 175.800 -0.055 0.000 1.082 617 F CA -0.829 57.146 58.000 -0.042 0.000 1.032 617 F CB 0.352 39.340 39.000 -0.020 0.000 1.259 617 F HN -0.290 nan 8.300 nan 0.000 0.503 618 D N 0.165 120.657 120.400 0.152 0.000 2.340 618 D HA 0.071 4.700 4.640 -0.018 0.000 0.220 618 D C 0.332 176.668 176.300 0.060 0.000 1.039 618 D CA 0.579 54.617 54.000 0.063 0.000 0.866 618 D CB 0.239 41.059 40.800 0.033 0.000 0.913 618 D HN 0.534 nan 8.370 nan 0.000 0.523 619 R N -2.274 118.278 120.500 0.086 0.000 3.000 619 R HA 0.191 4.520 4.340 -0.018 0.000 0.280 619 R C -0.788 175.516 176.300 0.007 0.000 0.950 619 R CA -0.754 55.367 56.100 0.035 0.000 0.822 619 R CB 0.301 30.607 30.300 0.010 0.000 1.445 619 R HN -0.169 nan 8.270 nan 0.000 0.492 620 S N 0.888 116.569 115.700 -0.032 0.000 2.552 620 S HA 0.129 4.588 4.470 -0.018 0.000 0.289 620 S C -1.364 173.140 174.600 -0.159 0.000 1.304 620 S CA -0.754 57.395 58.200 -0.086 0.000 1.063 620 S CB 0.488 63.657 63.200 -0.051 0.000 0.848 620 S HN 0.519 nan 8.310 nan 0.000 0.499 621 P HA 0.139 nan 4.420 nan 0.000 0.262 621 P C 0.402 177.603 177.300 -0.166 0.000 1.304 621 P CA 0.131 62.988 63.100 -0.404 0.000 0.859 621 P CB -0.126 30.891 31.700 -1.138 0.000 1.310 622 V N -3.667 116.191 119.914 -0.093 0.000 2.940 622 V HA 0.272 4.381 4.120 -0.018 0.000 0.366 622 V C 1.373 177.488 176.094 0.035 0.000 1.353 622 V CA -0.117 62.178 62.300 -0.009 0.000 1.232 622 V CB -0.701 31.140 31.823 0.030 0.000 1.278 622 V HN -0.133 nan 8.190 nan 0.000 0.546 623 L N 1.059 122.294 121.223 0.019 0.000 2.395 623 L HA 0.080 4.409 4.340 -0.018 0.000 0.218 623 L C 2.017 178.926 176.870 0.064 0.000 1.130 623 L CA 1.253 56.125 54.840 0.053 0.000 0.826 623 L CB -0.135 41.932 42.059 0.014 0.000 0.941 623 L HN 0.574 nan 8.230 nan 0.000 0.451 624 D N -0.690 119.729 120.400 0.032 0.000 2.328 624 D HA -0.004 4.625 4.640 -0.018 0.000 0.221 624 D C 0.585 176.894 176.300 0.015 0.000 1.072 624 D CA -0.006 54.007 54.000 0.022 0.000 0.850 624 D CB -0.170 40.630 40.800 0.000 0.000 0.922 624 D HN -0.027 nan 8.370 nan 0.000 0.516 625 V N 3.346 123.277 119.914 0.028 0.000 2.521 625 V HA 0.165 4.274 4.120 -0.018 0.000 0.286 625 V C -1.621 174.479 176.094 0.009 0.000 1.034 625 V CA -1.128 61.179 62.300 0.011 0.000 1.045 625 V CB 0.828 32.665 31.823 0.023 0.000 0.974 625 V HN 0.171 nan 8.190 nan 0.000 0.480 626 P HA 0.137 nan 4.420 nan 0.000 0.272 626 P C 0.405 177.683 177.300 -0.038 0.000 1.223 626 P CA -0.143 62.950 63.100 -0.012 0.000 0.784 626 P CB 1.222 32.916 31.700 -0.010 0.000 0.923 627 A N 2.744 125.535 122.820 -0.049 0.000 1.930 627 A HA -0.080 4.229 4.320 -0.018 0.000 0.217 627 A C 1.101 178.648 177.584 -0.062 0.000 1.175 627 A CA 1.415 53.398 52.037 -0.090 0.000 0.627 627 A CB -0.740 18.213 19.000 -0.078 0.000 0.815 627 A HN 0.826 nan 8.150 nan 0.000 0.443 628 N N 0.000 118.680 118.700 -0.034 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 628 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667