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 1wmn_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.586 177.584 0.003 0.000 1.274 9 A CA 0.000 52.041 52.037 0.006 0.000 0.836 9 A CB 0.000 19.010 19.000 0.016 0.000 0.831 10 S N 1.678 117.390 115.700 0.020 0.000 2.537 10 S HA 0.343 4.803 4.470 -0.018 0.000 0.286 10 S C -1.088 173.512 174.600 -0.001 0.000 1.299 10 S CA -0.222 58.005 58.200 0.045 0.000 1.067 10 S CB 0.586 63.844 63.200 0.098 0.000 0.864 10 S HN 0.431 nan 8.310 nan 0.000 0.494 11 P HA 0.021 nan 4.420 nan 0.000 0.239 11 P C 0.252 177.246 177.300 -0.509 0.000 1.184 11 P CA 0.736 63.660 63.100 -0.294 0.000 0.760 11 P CB -0.117 31.351 31.700 -0.388 0.000 0.884 12 F N 0.312 120.191 119.950 -0.118 0.000 2.653 12 F HA 0.214 4.731 4.527 -0.018 0.000 0.304 12 F C 1.598 177.337 175.800 -0.102 0.000 1.092 12 F CA -0.766 57.120 58.000 -0.189 0.000 1.279 12 F CB -0.108 38.774 39.000 -0.197 0.000 1.044 12 F HN -0.175 nan 8.300 nan 0.000 0.564 13 R N 1.206 121.738 120.500 0.055 0.000 2.734 13 R HA 0.193 4.523 4.340 -0.018 0.000 0.266 13 R C -0.240 176.083 176.300 0.039 0.000 1.044 13 R CA -0.357 55.781 56.100 0.063 0.000 1.128 13 R CB 0.447 30.775 30.300 0.046 0.000 1.010 13 R HN 0.176 nan 8.270 nan 0.000 0.461 14 L N 2.000 123.262 121.223 0.064 0.000 2.467 14 L HA 0.154 4.483 4.340 -0.018 0.000 0.270 14 L C 0.743 177.653 176.870 0.068 0.000 1.205 14 L CA -0.151 54.730 54.840 0.067 0.000 0.828 14 L CB 0.617 42.720 42.059 0.073 0.000 1.101 14 L HN 0.856 nan 8.230 nan 0.000 0.479 15 A N 2.323 125.197 122.820 0.089 0.000 2.511 15 A HA 0.344 4.653 4.320 -0.018 0.000 0.242 15 A C 0.367 178.028 177.584 0.128 0.000 1.069 15 A CA -0.145 51.999 52.037 0.178 0.000 0.763 15 A CB 0.050 19.225 19.000 0.292 0.000 1.001 15 A HN 0.753 nan 8.150 nan 0.000 0.498 16 S N 1.552 117.321 115.700 0.115 0.000 2.687 16 S HA 0.626 5.085 4.470 -0.018 0.000 0.283 16 S C 1.211 175.829 174.600 0.031 0.000 1.170 16 S CA -0.204 58.031 58.200 0.058 0.000 1.008 16 S CB 1.501 64.727 63.200 0.044 0.000 1.026 16 S HN 1.576 nan 8.310 nan 0.000 0.541 17 A N 1.544 124.371 122.820 0.011 0.000 1.908 17 A HA 0.099 4.408 4.320 -0.018 0.000 0.218 17 A C 2.162 179.728 177.584 -0.030 0.000 1.181 17 A CA 1.899 53.931 52.037 -0.008 0.000 0.627 17 A CB -1.860 17.136 19.000 -0.006 0.000 0.818 17 A HN 1.197 nan 8.150 nan 0.000 0.445 18 G N -0.601 108.185 108.800 -0.023 0.000 2.442 18 G HA2 -0.227 3.722 3.960 -0.018 0.000 0.219 18 G HA3 -0.227 3.722 3.960 -0.018 0.000 0.219 18 G C 1.435 176.291 174.900 -0.073 0.000 1.141 18 G CA 1.020 46.097 45.100 -0.037 0.000 0.763 18 G HN 0.674 nan 8.290 nan 0.000 0.554 19 E N -0.114 120.040 120.200 -0.076 0.000 2.106 19 E HA -0.028 4.312 4.350 -0.018 0.000 0.192 19 E C 2.510 178.880 176.600 -0.382 0.000 0.984 19 E CA 0.467 56.760 56.400 -0.179 0.000 0.806 19 E CB -0.102 29.573 29.700 -0.041 0.000 0.750 19 E HN 0.491 nan 8.360 nan 0.000 0.458 20 I N 0.780 121.187 120.570 -0.272 0.000 2.252 20 I HA -0.233 3.927 4.170 -0.018 0.000 0.245 20 I C 2.354 178.349 176.117 -0.203 0.000 1.102 20 I CA 0.756 61.887 61.300 -0.282 0.000 1.385 20 I CB -0.126 37.795 38.000 -0.131 0.000 1.064 20 I HN -0.017 nan 8.210 nan 0.000 0.414 21 S N 0.160 115.781 115.700 -0.130 0.000 2.382 21 S HA -0.218 4.241 4.470 -0.018 0.000 0.228 21 S C 1.898 176.435 174.600 -0.106 0.000 1.027 21 S CA 1.380 59.527 58.200 -0.090 0.000 0.991 21 S CB -0.217 62.948 63.200 -0.058 0.000 0.823 21 S HN 0.373 nan 8.310 nan 0.000 0.469 22 E N 1.195 121.313 120.200 -0.137 0.000 2.106 22 E HA -0.062 4.277 4.350 -0.018 0.000 0.192 22 E C 1.884 178.391 176.600 -0.156 0.000 0.984 22 E CA 0.769 57.092 56.400 -0.129 0.000 0.806 22 E CB -0.326 29.300 29.700 -0.123 0.000 0.750 22 E HN 0.236 nan 8.360 nan 0.000 0.458 23 V N 0.879 120.641 119.914 -0.254 0.000 2.343 23 V HA -0.278 3.831 4.120 -0.018 0.000 0.247 23 V C 2.546 178.562 176.094 -0.130 0.000 1.051 23 V CA 2.211 64.366 62.300 -0.243 0.000 1.036 23 V CB -0.569 31.009 31.823 -0.410 0.000 0.654 23 V HN 0.412 nan 8.190 nan 0.000 0.451 24 Q N 0.080 119.812 119.800 -0.113 0.000 2.050 24 Q HA -0.180 4.149 4.340 -0.018 0.000 0.202 24 Q C 2.275 178.251 176.000 -0.039 0.000 0.980 24 Q CA 2.140 57.910 55.803 -0.055 0.000 0.840 24 Q CB -0.522 28.194 28.738 -0.038 0.000 0.898 24 Q HN 0.637 nan 8.270 nan 0.000 0.424 25 G N 0.995 109.765 108.800 -0.049 0.000 2.440 25 G HA2 -0.242 3.708 3.960 -0.018 0.000 0.218 25 G HA3 -0.242 3.708 3.960 -0.018 0.000 0.218 25 G C 1.402 176.284 174.900 -0.031 0.000 1.154 25 G CA 0.987 46.065 45.100 -0.036 0.000 0.767 25 G HN 0.382 nan 8.290 nan 0.000 0.552 26 I N 0.229 120.774 120.570 -0.040 0.000 2.252 26 I HA -0.095 4.065 4.170 -0.018 0.000 0.245 26 I C 2.688 178.796 176.117 -0.015 0.000 1.102 26 I CA 0.579 61.862 61.300 -0.028 0.000 1.385 26 I CB -0.174 37.805 38.000 -0.035 0.000 1.064 26 I HN 0.122 nan 8.210 nan 0.000 0.414 27 L N 0.061 121.275 121.223 -0.016 0.000 2.056 27 L HA -0.185 4.144 4.340 -0.018 0.000 0.207 27 L C 2.789 179.661 176.870 0.003 0.000 1.078 27 L CA 1.367 56.207 54.840 0.000 0.000 0.749 27 L CB -0.546 41.516 42.059 0.004 0.000 0.901 27 L HN 0.150 nan 8.230 nan 0.000 0.433 28 R N -0.618 119.882 120.500 -0.001 0.000 2.070 28 R HA -0.145 4.184 4.340 -0.018 0.000 0.233 28 R C 2.301 178.600 176.300 -0.002 0.000 1.137 28 R CA 2.005 58.105 56.100 0.001 0.000 0.945 28 R CB -0.647 29.651 30.300 -0.002 0.000 0.845 28 R HN 0.290 nan 8.270 nan 0.000 0.430 29 T N 0.626 115.177 114.554 -0.006 0.000 2.759 29 T HA -0.151 4.189 4.350 -0.018 0.000 0.269 29 T C 1.648 176.347 174.700 -0.002 0.000 1.042 29 T CA 1.471 63.568 62.100 -0.006 0.000 1.140 29 T CB -0.149 68.714 68.868 -0.009 0.000 0.864 29 T HN 0.380 nan 8.240 nan 0.000 0.455 30 A N 0.228 123.048 122.820 0.000 0.000 2.238 30 A HA 0.491 4.800 4.320 -0.018 0.000 0.208 30 A C 1.877 179.464 177.584 0.004 0.000 1.177 30 A CA 0.814 52.853 52.037 0.003 0.000 0.804 30 A CB -0.802 18.202 19.000 0.007 0.000 0.823 30 A HN 0.729 nan 8.150 nan 0.000 0.482 31 G N -1.174 107.628 108.800 0.003 0.000 2.160 31 G HA2 -0.250 3.700 3.960 -0.018 0.000 0.251 31 G HA3 -0.250 3.700 3.960 -0.018 0.000 0.251 31 G C 0.551 175.454 174.900 0.006 0.000 1.008 31 G CA 0.558 45.660 45.100 0.003 0.000 0.724 31 G HN 0.516 nan 8.290 nan 0.000 0.514 32 L N -1.410 119.820 121.223 0.011 0.000 2.640 32 L HA 0.464 4.793 4.340 -0.018 0.000 0.230 32 L C 1.140 178.023 176.870 0.022 0.000 1.123 32 L CA 0.145 54.995 54.840 0.017 0.000 0.900 32 L CB 0.539 42.612 42.059 0.024 0.000 1.146 32 L HN 0.201 nan 8.230 nan 0.000 0.484 33 L N 0.414 121.650 121.223 0.021 0.000 2.678 33 L HA 0.481 4.811 4.340 -0.018 0.000 0.250 33 L C 0.629 177.519 176.870 0.034 0.000 1.455 33 L CA -0.182 54.677 54.840 0.033 0.000 0.823 33 L CB 0.532 42.613 42.059 0.036 0.000 1.107 33 L HN -0.059 nan 8.230 nan 0.000 0.514 34 G N 0.455 109.270 108.800 0.025 0.000 2.611 34 G HA2 0.280 4.229 3.960 -0.018 0.000 0.273 34 G HA3 0.280 4.229 3.960 -0.018 0.000 0.273 34 G C -1.501 173.423 174.900 0.039 0.000 1.305 34 G CA -0.420 44.692 45.100 0.021 0.000 1.010 34 G HN 0.368 nan 8.290 nan 0.000 0.509 35 P HA -0.051 nan 4.420 nan 0.000 0.225 35 P C 0.817 178.159 177.300 0.070 0.000 1.148 35 P CA 0.974 64.100 63.100 0.044 0.000 0.779 35 P CB 0.373 32.081 31.700 0.012 0.000 0.780 36 E N -0.451 119.772 120.200 0.039 0.000 2.474 36 E HA 0.065 4.404 4.350 -0.018 0.000 0.194 36 E C 0.519 177.120 176.600 0.002 0.000 1.041 36 E CA 0.398 56.809 56.400 0.019 0.000 0.874 36 E CB 0.120 29.809 29.700 -0.019 0.000 0.914 36 E HN 0.319 nan 8.360 nan 0.000 0.498 37 K N 1.487 121.908 120.400 0.034 0.000 2.144 37 K HA 0.351 4.660 4.320 -0.018 0.000 0.270 37 K C 0.382 177.022 176.600 0.066 0.000 1.005 37 K CA -0.441 55.861 56.287 0.025 0.000 0.932 37 K CB 1.378 33.899 32.500 0.035 0.000 1.021 37 K HN -0.168 nan 8.250 nan 0.000 0.462 38 R N 1.714 122.244 120.500 0.050 0.000 2.621 38 R HA 0.410 4.739 4.340 -0.018 0.000 0.284 38 R C -0.325 176.001 176.300 0.043 0.000 0.998 38 R CA -0.874 55.232 56.100 0.009 0.000 0.895 38 R CB 1.262 31.585 30.300 0.038 0.000 1.195 38 R HN 0.471 nan 8.270 nan 0.000 0.450 39 I N 2.757 123.317 120.570 -0.016 0.000 2.347 39 I HA 0.097 4.256 4.170 -0.018 0.000 0.294 39 I C 1.405 177.537 176.117 0.025 0.000 1.090 39 I CA 0.163 61.474 61.300 0.017 0.000 1.314 39 I CB 0.630 38.611 38.000 -0.032 0.000 1.423 39 I HN 0.711 nan 8.210 nan 0.000 0.503 40 A N 6.804 129.696 122.820 0.120 0.000 2.081 40 A HA -0.010 4.300 4.320 -0.018 0.000 0.214 40 A C 0.456 178.154 177.584 0.189 0.000 1.158 40 A CA 0.701 52.820 52.037 0.136 0.000 0.724 40 A CB 0.148 19.260 19.000 0.187 0.000 0.826 40 A HN 0.662 nan 8.150 nan 0.000 0.463 41 Y N -1.918 118.391 120.300 0.015 0.000 2.474 41 Y HA 0.562 5.101 4.550 -0.018 0.000 0.326 41 Y C -1.809 173.976 175.900 -0.191 0.000 1.160 41 Y CA -1.167 56.839 58.100 -0.156 0.000 1.056 41 Y CB 1.162 39.371 38.460 -0.418 0.000 1.330 41 Y HN 0.133 nan 8.280 nan 0.000 0.447 42 L N 5.547 126.087 121.223 -1.140 0.000 2.505 42 L HA 0.982 5.311 4.340 -0.018 0.000 0.266 42 L C -1.186 175.167 176.870 -0.861 0.000 0.954 42 L CA -0.245 54.125 54.840 -0.783 0.000 0.852 42 L CB 2.065 43.953 42.059 -0.286 0.000 1.282 42 L HN 0.946 nan 8.230 nan 0.000 0.403 43 G N 2.847 111.319 108.800 -0.547 0.000 2.703 43 G HA2 0.444 4.393 3.960 -0.018 0.000 0.294 43 G HA3 0.444 4.393 3.960 -0.018 0.000 0.294 43 G C -1.934 172.818 174.900 -0.247 0.000 1.451 43 G CA -0.546 44.386 45.100 -0.281 0.000 0.869 43 G HN 0.491 nan 8.290 nan 0.000 0.516 44 V N 1.834 121.433 119.914 -0.525 0.000 2.686 44 V HA 0.515 4.625 4.120 -0.018 0.000 0.295 44 V C 0.325 176.161 176.094 -0.429 0.000 1.055 44 V CA -0.365 61.360 62.300 -0.958 0.000 1.050 44 V CB 0.669 31.852 31.823 -1.067 0.000 0.984 44 V HN 0.558 nan 8.190 nan 0.000 0.482 45 L N 5.244 126.245 121.223 -0.370 0.000 2.357 45 L HA 0.476 4.805 4.340 -0.018 0.000 0.273 45 L C 0.055 176.786 176.870 -0.231 0.000 1.080 45 L CA -0.819 53.903 54.840 -0.197 0.000 0.803 45 L CB 1.009 42.993 42.059 -0.125 0.000 1.174 45 L HN 0.577 nan 8.230 nan 0.000 0.443 46 D N 1.743 122.049 120.400 -0.156 0.000 2.362 46 D HA 0.223 4.852 4.640 -0.018 0.000 0.242 46 D C -2.062 174.099 176.300 -0.232 0.000 1.132 46 D CA -0.910 52.967 54.000 -0.206 0.000 0.907 46 D CB 0.506 41.301 40.800 -0.007 0.000 1.195 46 D HN 0.244 nan 8.370 nan 0.000 0.429 47 P HA 0.136 nan 4.420 nan 0.000 0.266 47 P C -0.661 176.569 177.300 -0.117 0.000 1.195 47 P CA -0.128 62.807 63.100 -0.275 0.000 0.768 47 P CB 0.455 31.919 31.700 -0.394 0.000 0.838 48 A N 2.851 125.622 122.820 -0.081 0.000 2.448 48 A HA 0.156 4.466 4.320 -0.018 0.000 0.239 48 A C 0.635 178.194 177.584 -0.042 0.000 1.080 48 A CA 0.082 52.095 52.037 -0.039 0.000 0.779 48 A CB -0.070 18.911 19.000 -0.032 0.000 1.026 48 A HN 0.474 nan 8.150 nan 0.000 0.499 49 R N -0.221 120.245 120.500 -0.057 0.000 2.643 49 R HA 0.492 4.821 4.340 -0.018 0.000 0.270 49 R C 0.885 177.138 176.300 -0.079 0.000 1.061 49 R CA 1.626 57.645 56.100 -0.135 0.000 1.107 49 R CB -0.008 30.154 30.300 -0.230 0.000 0.999 49 R HN 1.835 nan 8.270 nan 0.000 0.460 50 G N 0.548 109.310 108.800 -0.064 0.000 2.236 50 G HA2 0.290 4.239 3.960 -0.018 0.000 0.231 50 G HA3 0.290 4.239 3.960 -0.018 0.000 0.231 50 G C -0.582 174.343 174.900 0.042 0.000 1.334 50 G CA 0.148 45.242 45.100 -0.009 0.000 1.137 50 G HN 0.860 nan 8.290 nan 0.000 0.482 51 A N -1.792 121.049 122.820 0.036 0.000 1.704 51 A HA 0.656 4.965 4.320 -0.018 0.000 0.205 51 A C 1.702 179.303 177.584 0.028 0.000 1.837 51 A CA 1.481 53.546 52.037 0.046 0.000 1.364 51 A CB -0.170 18.860 19.000 0.050 0.000 1.377 51 A HN 2.314 nan 8.150 nan 0.000 0.390 52 G N 2.549 111.359 108.800 0.018 0.000 3.102 52 G HA2 0.387 4.336 3.960 -0.018 0.000 0.264 52 G HA3 0.387 4.336 3.960 -0.018 0.000 0.264 52 G C 0.254 175.157 174.900 0.004 0.000 0.788 52 G CA 0.639 45.745 45.100 0.011 0.000 2.029 52 G HN 0.729 nan 8.290 nan 0.000 0.608 53 S N 0.568 116.269 115.700 0.003 0.000 2.416 53 S HA 0.220 4.679 4.470 -0.018 0.000 0.302 53 S C 0.198 174.792 174.600 -0.009 0.000 1.120 53 S CA -0.721 57.474 58.200 -0.008 0.000 1.067 53 S CB 1.692 64.883 63.200 -0.015 0.000 1.057 53 S HN 0.411 nan 8.310 nan 0.000 0.518 54 E N 3.814 124.008 120.200 -0.010 0.000 1.833 54 E HA 0.432 4.771 4.350 -0.018 0.000 0.258 54 E C 0.663 177.256 176.600 -0.012 0.000 1.257 54 E CA 0.829 57.224 56.400 -0.009 0.000 1.003 54 E CB -1.128 28.568 29.700 -0.007 0.000 1.068 54 E HN 1.072 nan 8.360 nan 0.000 0.422 55 A N 3.335 126.148 122.820 -0.013 0.000 6.702 55 A HA -0.263 4.046 4.320 -0.018 0.000 0.279 55 A C 0.137 177.705 177.584 -0.026 0.000 2.141 55 A CA 0.516 52.544 52.037 -0.016 0.000 0.658 55 A CB -0.843 18.150 19.000 -0.012 0.000 1.332 55 A HN 0.680 nan 8.150 nan 0.000 0.388 56 E N 0.109 120.293 120.200 -0.028 0.000 2.316 56 E HA 0.398 4.737 4.350 -0.018 0.000 0.275 56 E C -0.911 175.668 176.600 -0.035 0.000 1.029 56 E CA 0.189 56.564 56.400 -0.041 0.000 0.871 56 E CB 0.541 30.221 29.700 -0.034 0.000 1.022 56 E HN 0.525 nan 8.360 nan 0.000 0.418 57 D N 4.223 124.592 120.400 -0.051 0.000 2.363 57 D HA 0.127 4.756 4.640 -0.018 0.000 0.258 57 D C -1.108 175.162 176.300 -0.049 0.000 1.259 57 D CA -0.557 53.422 54.000 -0.036 0.000 0.921 57 D CB 0.280 41.060 40.800 -0.033 0.000 1.201 57 D HN 0.242 nan 8.370 nan 0.000 0.524 58 R N 2.976 123.465 120.500 -0.018 0.000 2.242 58 R HA 0.359 4.688 4.340 -0.018 0.000 0.334 58 R C 0.234 176.581 176.300 0.079 0.000 1.071 58 R CA -0.164 55.931 56.100 -0.009 0.000 0.922 58 R CB 0.613 30.958 30.300 0.075 0.000 1.023 58 R HN 0.328 nan 8.270 nan 0.000 0.458 59 R N 2.405 122.896 120.500 -0.016 0.000 2.664 59 R HA 0.487 4.816 4.340 -0.018 0.000 0.286 59 R C -0.639 175.659 176.300 -0.003 0.000 0.967 59 R CA -0.607 55.532 56.100 0.065 0.000 0.933 59 R CB 1.351 31.654 30.300 0.004 0.000 1.146 59 R HN 0.240 nan 8.270 nan 0.000 0.468 60 F N 0.585 120.516 119.950 -0.032 0.000 2.551 60 F HA 0.472 4.988 4.527 -0.018 0.000 0.316 60 F C 0.334 176.126 175.800 -0.012 0.000 1.089 60 F CA -0.828 57.148 58.000 -0.041 0.000 0.915 60 F CB 1.914 40.878 39.000 -0.061 0.000 1.186 60 F HN 0.193 nan 8.300 nan 0.000 0.456 61 R N 1.780 122.367 120.500 0.146 0.000 2.460 61 R HA 0.870 5.199 4.340 -0.018 0.000 0.303 61 R C -1.871 174.491 176.300 0.104 0.000 0.968 61 R CA -0.560 55.632 56.100 0.153 0.000 0.889 61 R CB 1.555 31.959 30.300 0.173 0.000 1.123 61 R HN 0.549 nan 8.270 nan 0.000 0.455 62 V N 4.476 124.486 119.914 0.161 0.000 2.760 62 V HA 0.498 4.607 4.120 -0.018 0.000 0.309 62 V C -1.181 175.163 176.094 0.416 0.000 1.077 62 V CA -0.830 61.552 62.300 0.137 0.000 0.910 62 V CB 1.959 33.843 31.823 0.101 0.000 1.008 62 V HN 0.569 nan 8.190 nan 0.000 0.424 63 F N 4.120 124.225 119.950 0.258 0.000 2.402 63 F HA 0.620 5.136 4.527 -0.018 0.000 0.355 63 F C 0.113 176.004 175.800 0.151 0.000 1.123 63 F CA -1.727 56.417 58.000 0.241 0.000 1.021 63 F CB 1.293 40.483 39.000 0.316 0.000 1.160 63 F HN 0.219 nan 8.300 nan 0.000 0.451 64 I N 4.008 124.749 120.570 0.286 0.000 2.330 64 I HA 0.210 4.369 4.170 -0.018 0.000 0.289 64 I C -0.166 176.042 176.117 0.151 0.000 1.001 64 I CA -0.696 60.708 61.300 0.174 0.000 1.193 64 I CB 1.285 39.351 38.000 0.111 0.000 1.345 64 I HN 0.524 nan 8.210 nan 0.000 0.461 65 H N 5.905 125.002 119.070 0.044 0.000 2.488 65 H HA 0.347 4.892 4.556 -0.018 0.000 0.347 65 H C -1.132 174.198 175.328 0.002 0.000 1.174 65 H CA -0.336 55.717 56.048 0.008 0.000 1.307 65 H CB 1.452 31.215 29.762 0.001 0.000 1.517 65 H HN 0.499 nan 8.280 nan 0.000 0.554 66 D N 3.873 123.824 120.400 -0.749 0.000 2.471 66 D HA 0.079 4.708 4.640 -0.018 0.000 0.245 66 D C 1.118 176.971 176.300 -0.745 0.000 1.116 66 D CA -0.453 53.228 54.000 -0.532 0.000 0.853 66 D CB 1.481 42.127 40.800 -0.257 0.000 1.123 66 D HN 0.495 nan 8.370 nan 0.000 0.540 67 V N 2.224 121.880 119.914 -0.431 0.000 3.078 67 V HA -0.113 3.996 4.120 -0.018 0.000 0.265 67 V C 1.692 177.731 176.094 -0.093 0.000 1.122 67 V CA 1.864 64.061 62.300 -0.172 0.000 1.141 67 V CB -0.785 31.038 31.823 0.001 0.000 0.735 67 V HN 0.498 nan 8.190 nan 0.000 0.498 68 S N -0.211 115.423 115.700 -0.110 0.000 2.558 68 S HA 0.413 4.872 4.470 -0.018 0.000 0.217 68 S C 1.734 176.298 174.600 -0.059 0.000 0.975 68 S CA 0.812 58.976 58.200 -0.061 0.000 0.912 68 S CB 0.286 63.457 63.200 -0.048 0.000 0.776 68 S HN 1.749 nan 8.310 nan 0.000 0.526 69 G N 0.498 109.243 108.800 -0.092 0.000 2.184 69 G HA2 -0.022 3.928 3.960 -0.018 0.000 0.206 69 G HA3 -0.022 3.928 3.960 -0.018 0.000 0.206 69 G C 0.285 175.145 174.900 -0.066 0.000 0.995 69 G CA -0.139 44.926 45.100 -0.059 0.000 0.651 69 G HN 1.163 nan 8.290 nan 0.000 0.511 70 A N 0.223 122.991 122.820 -0.086 0.000 2.406 70 A HA 0.698 5.007 4.320 -0.018 0.000 0.243 70 A C 0.869 178.406 177.584 -0.079 0.000 1.082 70 A CA 0.256 52.250 52.037 -0.072 0.000 0.786 70 A CB 0.202 19.161 19.000 -0.068 0.000 1.029 70 A HN 0.580 nan 8.150 nan 0.000 0.495 71 R N 1.234 121.694 120.500 -0.066 0.000 2.623 71 R HA 0.228 4.557 4.340 -0.018 0.000 0.271 71 R C -2.109 174.146 176.300 -0.075 0.000 1.043 71 R CA -0.741 55.315 56.100 -0.072 0.000 1.083 71 R CB 0.038 30.294 30.300 -0.073 0.000 0.974 71 R HN 0.595 nan 8.270 nan 0.000 0.436 72 P HA 0.059 nan 4.420 nan 0.000 0.277 72 P C -1.131 176.124 177.300 -0.075 0.000 1.271 72 P CA -0.332 62.731 63.100 -0.061 0.000 0.795 72 P CB 0.901 32.569 31.700 -0.053 0.000 1.101 73 Q N -0.636 119.150 119.800 -0.023 0.000 2.389 73 Q HA 0.381 4.711 4.340 -0.018 0.000 0.277 73 Q C -0.826 175.222 176.000 0.080 0.000 1.082 73 Q CA -0.701 55.102 55.803 0.000 0.000 0.810 73 Q CB 2.733 31.487 28.738 0.027 0.000 1.374 73 Q HN 0.474 nan 8.270 nan 0.000 0.422 74 E N 1.697 121.956 120.200 0.098 0.000 2.158 74 E HA 0.505 4.845 4.350 -0.018 0.000 0.271 74 E C -1.506 175.223 176.600 0.215 0.000 0.911 74 E CA -0.555 56.001 56.400 0.260 0.000 0.767 74 E CB 1.439 31.293 29.700 0.257 0.000 1.120 74 E HN 0.320 nan 8.360 nan 0.000 0.405 75 V N 3.226 123.291 119.914 0.251 0.000 2.789 75 V HA 0.403 4.512 4.120 -0.018 0.000 0.311 75 V C -0.387 175.807 176.094 0.167 0.000 1.073 75 V CA -0.809 61.591 62.300 0.166 0.000 0.921 75 V CB 2.281 34.179 31.823 0.126 0.000 1.009 75 V HN 0.725 nan 8.190 nan 0.000 0.426 76 T N 3.637 118.266 114.554 0.124 0.000 2.807 76 T HA 0.665 5.004 4.350 -0.018 0.000 0.279 76 T C -0.446 174.308 174.700 0.091 0.000 0.993 76 T CA -0.429 61.739 62.100 0.113 0.000 0.970 76 T CB 1.566 70.488 68.868 0.091 0.000 0.950 76 T HN 0.834 nan 8.240 nan 0.000 0.441 77 V N 0.775 120.752 119.914 0.104 0.000 2.864 77 V HA 0.897 5.006 4.120 -0.018 0.000 0.314 77 V C -0.119 176.035 176.094 0.100 0.000 1.073 77 V CA -0.894 61.454 62.300 0.079 0.000 0.956 77 V CB 2.130 33.983 31.823 0.049 0.000 1.023 77 V HN 0.769 nan 8.190 nan 0.000 0.435 78 S N 2.577 118.316 115.700 0.066 0.000 2.474 78 S HA 0.313 4.772 4.470 -0.018 0.000 0.320 78 S C 0.613 175.247 174.600 0.057 0.000 1.067 78 S CA 0.115 58.356 58.200 0.068 0.000 1.127 78 S CB 0.929 64.151 63.200 0.036 0.000 0.971 78 S HN 1.283 nan 8.310 nan 0.000 0.472 79 V N 5.461 125.430 119.914 0.092 0.000 2.626 79 V HA -0.093 4.016 4.120 -0.018 0.000 0.252 79 V C 2.050 178.157 176.094 0.021 0.000 1.067 79 V CA 2.751 65.063 62.300 0.021 0.000 1.081 79 V CB -0.856 30.952 31.823 -0.025 0.000 0.686 79 V HN 0.987 nan 8.190 nan 0.000 0.468 80 T N 1.007 115.586 114.554 0.041 0.000 2.674 80 T HA -0.132 4.207 4.350 -0.018 0.000 0.265 80 T C 1.609 176.314 174.700 0.009 0.000 1.039 80 T CA 1.833 63.946 62.100 0.021 0.000 1.150 80 T CB -0.365 68.513 68.868 0.017 0.000 0.864 80 T HN 0.512 nan 8.240 nan 0.000 0.427 81 N N 0.533 119.239 118.700 0.010 0.000 2.412 81 N HA 0.122 4.851 4.740 -0.018 0.000 0.184 81 N C 1.349 176.860 175.510 0.002 0.000 1.101 81 N CA 0.701 53.754 53.050 0.005 0.000 0.881 81 N CB 0.076 38.567 38.487 0.006 0.000 0.969 81 N HN 0.568 nan 8.380 nan 0.000 0.459 82 G N 1.380 110.180 108.800 0.000 0.000 2.221 82 G HA2 -0.270 3.679 3.960 -0.018 0.000 0.265 82 G HA3 -0.270 3.679 3.960 -0.018 0.000 0.265 82 G C 0.182 175.080 174.900 -0.002 0.000 1.041 82 G CA 0.987 46.084 45.100 -0.007 0.000 0.807 82 G HN 0.526 nan 8.290 nan 0.000 0.502 83 T N -3.701 110.856 114.554 0.005 0.000 2.930 83 T HA 0.721 5.060 4.350 -0.018 0.000 0.290 83 T C -0.373 174.337 174.700 0.017 0.000 1.052 83 T CA -0.651 61.455 62.100 0.009 0.000 1.017 83 T CB 2.858 71.732 68.868 0.010 0.000 1.137 83 T HN 0.748 nan 8.240 nan 0.000 0.511 84 V N 2.762 122.687 119.914 0.018 0.000 2.328 84 V HA 0.267 4.376 4.120 -0.018 0.000 0.278 84 V C 0.798 176.909 176.094 0.028 0.000 1.021 84 V CA -0.542 61.774 62.300 0.027 0.000 0.838 84 V CB 0.531 32.368 31.823 0.025 0.000 0.999 84 V HN 0.849 nan 8.190 nan 0.000 0.447 85 I N 3.733 124.324 120.570 0.035 0.000 2.353 85 I HA -0.031 4.128 4.170 -0.018 0.000 0.248 85 I C 1.113 177.249 176.117 0.032 0.000 1.119 85 I CA 1.174 62.492 61.300 0.031 0.000 1.417 85 I CB 0.016 38.036 38.000 0.033 0.000 1.078 85 I HN 0.817 nan 8.210 nan 0.000 0.421 86 S N -0.944 114.781 115.700 0.042 0.000 2.552 86 S HA 0.848 5.307 4.470 -0.018 0.000 0.272 86 S C -0.940 173.693 174.600 0.055 0.000 1.150 86 S CA -0.422 57.804 58.200 0.043 0.000 0.849 86 S CB 1.670 64.896 63.200 0.044 0.000 1.113 86 S HN 0.293 nan 8.310 nan 0.000 0.458 87 A N 1.067 123.915 122.820 0.047 0.000 2.466 87 A HA 0.729 5.038 4.320 -0.018 0.000 0.284 87 A C -0.637 176.968 177.584 0.035 0.000 1.049 87 A CA -0.390 51.677 52.037 0.051 0.000 0.760 87 A CB 0.926 19.950 19.000 0.040 0.000 1.274 87 A HN 2.137 nan 8.150 nan 0.000 0.412 88 V N -0.038 119.898 119.914 0.037 0.000 2.680 88 V HA 0.748 4.857 4.120 -0.018 0.000 0.309 88 V C -0.204 175.882 176.094 -0.013 0.000 1.052 88 V CA -0.767 61.540 62.300 0.011 0.000 0.908 88 V CB 1.596 33.427 31.823 0.014 0.000 1.001 88 V HN 0.936 nan 8.190 nan 0.000 0.431 89 E N 3.097 123.278 120.200 -0.031 0.000 2.313 89 E HA 0.541 4.881 4.350 -0.018 0.000 0.276 89 E C -1.196 175.346 176.600 -0.096 0.000 1.031 89 E CA -0.605 55.761 56.400 -0.057 0.000 0.857 89 E CB 1.222 30.894 29.700 -0.047 0.000 1.040 89 E HN 0.764 nan 8.360 nan 0.000 0.408 90 L N 3.545 124.677 121.223 -0.151 0.000 2.317 90 L HA 0.291 4.621 4.340 -0.018 0.000 0.281 90 L C -0.077 176.671 176.870 -0.203 0.000 1.024 90 L CA -0.791 53.908 54.840 -0.234 0.000 0.810 90 L CB 1.399 43.197 42.059 -0.435 0.000 1.240 90 L HN 0.505 nan 8.230 nan 0.000 0.427 91 D N 1.457 121.747 120.400 -0.184 0.000 2.479 91 D HA 0.053 4.682 4.640 -0.018 0.000 0.218 91 D C 1.311 177.505 176.300 -0.176 0.000 1.131 91 D CA -0.218 53.697 54.000 -0.140 0.000 0.916 91 D CB 1.259 42.002 40.800 -0.095 0.000 1.022 91 D HN 0.706 nan 8.370 nan 0.000 0.515 92 T N 0.821 115.260 114.554 -0.191 0.000 2.803 92 T HA -0.176 4.164 4.350 -0.018 0.000 0.269 92 T C 1.858 176.488 174.700 -0.117 0.000 1.052 92 T CA 1.101 63.079 62.100 -0.204 0.000 1.136 92 T CB -0.115 68.644 68.868 -0.181 0.000 0.864 92 T HN 0.253 nan 8.240 nan 0.000 0.467 93 A N 1.357 124.132 122.820 -0.075 0.000 2.019 93 A HA 0.396 4.705 4.320 -0.018 0.000 0.219 93 A C 2.670 180.247 177.584 -0.012 0.000 1.164 93 A CA 1.716 53.731 52.037 -0.037 0.000 0.644 93 A CB -1.100 17.880 19.000 -0.032 0.000 0.805 93 A HN 0.784 nan 8.150 nan 0.000 0.449 94 A N -0.761 122.042 122.820 -0.029 0.000 1.881 94 A HA 0.092 4.401 4.320 -0.018 0.000 0.210 94 A C 2.282 179.895 177.584 0.049 0.000 1.239 94 A CA 1.880 53.919 52.037 0.004 0.000 0.629 94 A CB -0.955 18.031 19.000 -0.023 0.000 0.906 94 A HN 0.685 nan 8.150 nan 0.000 0.460 95 T N -3.370 111.129 114.554 -0.091 0.000 3.100 95 T HA 0.459 4.798 4.350 -0.018 0.000 0.253 95 T C 0.880 175.250 174.700 -0.549 0.000 1.118 95 T CA 0.914 62.868 62.100 -0.243 0.000 1.058 95 T CB -0.214 68.532 68.868 -0.202 0.000 0.953 95 T HN 1.941 nan 8.240 nan 0.000 0.515 96 G N 0.871 109.484 108.800 -0.312 0.000 2.617 96 G HA2 0.070 4.020 3.960 -0.018 0.000 0.686 96 G HA3 0.070 4.020 3.960 -0.018 0.000 0.686 96 G C -1.108 173.641 174.900 -0.252 0.000 1.214 96 G CA -1.061 43.903 45.100 -0.227 0.000 0.796 96 G HN 0.247 nan 8.290 nan 0.000 0.654 97 E N 0.197 120.318 120.200 -0.131 0.000 2.345 97 E HA 0.485 4.824 4.350 -0.018 0.000 0.259 97 E C 1.205 177.743 176.600 -0.104 0.000 1.117 97 E CA -0.497 55.819 56.400 -0.141 0.000 0.913 97 E CB 0.898 30.550 29.700 -0.079 0.000 1.057 97 E HN 0.509 nan 8.360 nan 0.000 0.432 98 L N 1.756 122.920 121.223 -0.098 0.000 2.472 98 L HA 0.189 4.518 4.340 -0.018 0.000 0.260 98 L C -1.912 174.984 176.870 0.044 0.000 1.209 98 L CA -1.717 53.141 54.840 0.029 0.000 0.817 98 L CB -0.261 41.829 42.059 0.052 0.000 1.106 98 L HN 0.141 nan 8.230 nan 0.000 0.479 99 P HA -0.028 nan 4.420 nan 0.000 0.268 99 P C -0.651 176.659 177.300 0.015 0.000 1.208 99 P CA -0.266 62.881 63.100 0.078 0.000 0.777 99 P CB 0.389 32.176 31.700 0.146 0.000 0.875 100 V N 3.486 123.408 119.914 0.014 0.000 2.599 100 V HA -0.065 4.044 4.120 -0.018 0.000 0.300 100 V C 0.781 176.789 176.094 -0.143 0.000 1.034 100 V CA 0.422 62.672 62.300 -0.083 0.000 1.115 100 V CB -0.494 31.332 31.823 0.006 0.000 0.934 100 V HN 0.320 nan 8.190 nan 0.000 0.485 101 L N 3.784 124.843 121.223 -0.272 0.000 2.326 101 L HA 0.256 4.586 4.340 -0.018 0.000 0.278 101 L C 1.617 178.281 176.870 -0.344 0.000 1.092 101 L CA 0.004 54.711 54.840 -0.222 0.000 0.810 101 L CB 0.868 42.801 42.059 -0.211 0.000 1.153 101 L HN 0.767 nan 8.230 nan 0.000 0.439 102 E N 2.116 122.265 120.200 -0.085 0.000 2.130 102 E HA -0.271 4.069 4.350 -0.018 0.000 0.196 102 E C 1.576 178.216 176.600 0.066 0.000 0.998 102 E CA 1.855 58.334 56.400 0.132 0.000 0.806 102 E CB 0.215 30.107 29.700 0.319 0.000 0.738 102 E HN 0.783 nan 8.360 nan 0.000 0.459 103 E N 0.050 120.241 120.200 -0.016 0.000 2.274 103 E HA -0.199 4.140 4.350 -0.018 0.000 0.194 103 E C 1.470 178.060 176.600 -0.016 0.000 0.996 103 E CA 1.022 57.431 56.400 0.016 0.000 0.840 103 E CB -0.106 29.595 29.700 0.002 0.000 0.772 103 E HN 0.392 nan 8.360 nan 0.000 0.491 104 E N -0.100 120.014 120.200 -0.143 0.000 2.358 104 E HA -0.045 4.295 4.350 -0.018 0.000 0.195 104 E C 1.313 177.890 176.600 -0.037 0.000 1.010 104 E CA 0.296 56.621 56.400 -0.126 0.000 0.856 104 E CB -0.088 29.487 29.700 -0.209 0.000 0.795 104 E HN 0.226 nan 8.360 nan 0.000 0.504 105 F N 2.469 122.460 119.950 0.068 0.000 2.046 105 F HA -0.211 4.305 4.527 -0.018 0.000 0.297 105 F C 2.528 178.353 175.800 0.042 0.000 1.123 105 F CA 1.402 59.439 58.000 0.062 0.000 1.199 105 F CB -0.788 38.243 39.000 0.053 0.000 0.972 105 F HN 0.066 nan 8.300 nan 0.000 0.474 106 E N 0.342 120.686 120.200 0.241 0.000 2.204 106 E HA -0.139 4.201 4.350 -0.018 0.000 0.195 106 E C 2.248 178.898 176.600 0.084 0.000 0.990 106 E CA 1.432 57.914 56.400 0.136 0.000 0.821 106 E CB -1.218 28.549 29.700 0.112 0.000 0.750 106 E HN 0.304 nan 8.360 nan 0.000 0.477 107 V N 1.890 121.847 119.914 0.072 0.000 2.380 107 V HA -0.268 3.841 4.120 -0.018 0.000 0.251 107 V C 2.654 178.750 176.094 0.003 0.000 1.063 107 V CA 1.661 63.980 62.300 0.032 0.000 1.055 107 V CB -0.507 31.329 31.823 0.021 0.000 0.657 107 V HN 0.134 nan 8.190 nan 0.000 0.455 108 V N -0.160 119.764 119.914 0.015 0.000 2.255 108 V HA -0.337 3.772 4.120 -0.018 0.000 0.247 108 V C 2.429 178.452 176.094 -0.117 0.000 1.051 108 V CA 2.530 64.805 62.300 -0.042 0.000 1.018 108 V CB -0.623 31.206 31.823 0.011 0.000 0.641 108 V HN 0.665 nan 8.190 nan 0.000 0.445 109 E N -0.377 119.787 120.200 -0.059 0.000 2.072 109 E HA -0.263 4.077 4.350 -0.018 0.000 0.191 109 E C 2.304 178.861 176.600 -0.071 0.000 0.985 109 E CA 1.366 57.724 56.400 -0.070 0.000 0.801 109 E CB -0.069 29.638 29.700 0.011 0.000 0.750 109 E HN 0.692 nan 8.360 nan 0.000 0.452 110 Q N 0.236 120.017 119.800 -0.033 0.000 2.030 110 Q HA -0.188 4.141 4.340 -0.018 0.000 0.204 110 Q C 2.423 178.396 176.000 -0.045 0.000 0.986 110 Q CA 1.736 57.528 55.803 -0.019 0.000 0.843 110 Q CB -0.124 28.616 28.738 0.003 0.000 0.904 110 Q HN 0.361 nan 8.270 nan 0.000 0.420 111 L N 0.109 121.288 121.223 -0.073 0.000 2.056 111 L HA -0.171 4.158 4.340 -0.018 0.000 0.207 111 L C 2.316 179.102 176.870 -0.139 0.000 1.078 111 L CA 0.797 55.586 54.840 -0.085 0.000 0.749 111 L CB -0.415 41.593 42.059 -0.085 0.000 0.901 111 L HN 0.263 nan 8.230 nan 0.000 0.433 112 L N -0.081 120.979 121.223 -0.271 0.000 2.131 112 L HA -0.176 4.153 4.340 -0.018 0.000 0.210 112 L C 2.826 179.565 176.870 -0.218 0.000 1.092 112 L CA 0.948 55.494 54.840 -0.490 0.000 0.759 112 L CB -0.711 40.643 42.059 -1.175 0.000 0.903 112 L HN 0.245 nan 8.230 nan 0.000 0.435 113 A N -0.202 122.572 122.820 -0.076 0.000 2.076 113 A HA -0.187 4.123 4.320 -0.018 0.000 0.220 113 A C 2.099 179.734 177.584 0.086 0.000 1.160 113 A CA 2.107 54.190 52.037 0.078 0.000 0.653 113 A CB -0.691 18.342 19.000 0.056 0.000 0.801 113 A HN 0.532 nan 8.150 nan 0.000 0.455 114 T N -3.578 111.000 114.554 0.040 0.000 3.084 114 T HA 0.265 4.605 4.350 -0.018 0.000 0.270 114 T C -0.075 174.653 174.700 0.047 0.000 1.008 114 T CA 0.208 62.334 62.100 0.043 0.000 0.900 114 T CB -0.310 68.572 68.868 0.022 0.000 1.084 114 T HN 0.322 nan 8.240 nan 0.000 0.538 115 D N 2.001 122.436 120.400 0.059 0.000 2.277 115 D HA 0.150 4.779 4.640 -0.018 0.000 0.249 115 D C 1.493 177.863 176.300 0.116 0.000 1.134 115 D CA -0.445 53.595 54.000 0.067 0.000 0.863 115 D CB 1.166 41.991 40.800 0.043 0.000 1.143 115 D HN 0.449 nan 8.370 nan 0.000 0.458 116 E N 3.524 123.770 120.200 0.077 0.000 2.150 116 E HA -0.221 4.118 4.350 -0.018 0.000 0.193 116 E C 1.454 178.100 176.600 0.077 0.000 0.985 116 E CA 0.609 57.050 56.400 0.068 0.000 0.814 116 E CB 0.070 29.793 29.700 0.039 0.000 0.752 116 E HN 0.436 nan 8.360 nan 0.000 0.466 117 R N 0.125 120.679 120.500 0.089 0.000 2.075 117 R HA -0.070 4.259 4.340 -0.018 0.000 0.232 117 R C 2.180 178.566 176.300 0.142 0.000 1.126 117 R CA 1.702 57.853 56.100 0.086 0.000 0.963 117 R CB -0.473 29.871 30.300 0.074 0.000 0.858 117 R HN 0.427 nan 8.270 nan 0.000 0.435 118 W N 1.494 122.776 121.300 -0.030 0.000 2.355 118 W HA -0.153 4.497 4.660 -0.018 0.000 0.309 118 W C 1.489 177.997 176.519 -0.019 0.000 1.206 118 W CA 1.225 58.554 57.345 -0.027 0.000 1.284 118 W CB -0.136 29.311 29.460 -0.021 0.000 1.145 118 W HN 0.087 nan 8.180 nan 0.000 0.502 119 L N 0.766 122.095 121.223 0.176 0.000 2.083 119 L HA -0.258 4.071 4.340 -0.018 0.000 0.209 119 L C 2.640 179.489 176.870 -0.036 0.000 1.083 119 L CA 1.647 56.516 54.840 0.049 0.000 0.752 119 L CB -0.853 41.256 42.059 0.084 0.000 0.899 119 L HN -0.073 nan 8.230 nan 0.000 0.433 120 K N 0.235 120.623 120.400 -0.020 0.000 2.097 120 K HA -0.146 4.163 4.320 -0.018 0.000 0.205 120 K C 2.155 178.700 176.600 -0.092 0.000 1.050 120 K CA 1.141 57.402 56.287 -0.042 0.000 0.938 120 K CB -0.022 32.466 32.500 -0.020 0.000 0.718 120 K HN 0.258 nan 8.250 nan 0.000 0.442 121 A N 1.412 124.149 122.820 -0.139 0.000 1.902 121 A HA -0.118 4.191 4.320 -0.018 0.000 0.217 121 A C 2.083 179.508 177.584 -0.266 0.000 1.181 121 A CA 1.165 53.077 52.037 -0.209 0.000 0.623 121 A CB -0.542 18.286 19.000 -0.286 0.000 0.818 121 A HN 0.293 nan 8.150 nan 0.000 0.443 122 L N -0.957 120.065 121.223 -0.336 0.000 2.056 122 L HA -0.170 4.160 4.340 -0.018 0.000 0.207 122 L C 3.086 179.860 176.870 -0.160 0.000 1.078 122 L CA 1.071 55.736 54.840 -0.291 0.000 0.749 122 L CB -0.621 41.258 42.059 -0.299 0.000 0.901 122 L HN 0.449 nan 8.230 nan 0.000 0.433 123 A N 0.125 122.874 122.820 -0.118 0.000 1.972 123 A HA -0.114 4.195 4.320 -0.018 0.000 0.219 123 A C 2.469 180.010 177.584 -0.072 0.000 1.169 123 A CA 1.493 53.485 52.037 -0.075 0.000 0.635 123 A CB -0.545 18.424 19.000 -0.052 0.000 0.810 123 A HN 0.396 nan 8.150 nan 0.000 0.446 124 A N -0.494 122.276 122.820 -0.084 0.000 2.121 124 A HA -0.072 4.237 4.320 -0.018 0.000 0.218 124 A C 2.023 179.565 177.584 -0.071 0.000 1.154 124 A CA 1.323 53.317 52.037 -0.072 0.000 0.679 124 A CB -0.268 18.686 19.000 -0.076 0.000 0.795 124 A HN 0.548 nan 8.150 nan 0.000 0.458 125 R N -0.991 119.458 120.500 -0.086 0.000 2.437 125 R HA 0.134 4.463 4.340 -0.018 0.000 0.257 125 R C -0.306 175.955 176.300 -0.066 0.000 0.927 125 R CA 0.068 56.122 56.100 -0.076 0.000 1.078 125 R CB 0.290 30.532 30.300 -0.097 0.000 1.161 125 R HN 0.407 nan 8.270 nan 0.000 0.529 126 N N 0.987 119.649 118.700 -0.063 0.000 2.754 126 N HA -0.178 4.552 4.740 -0.018 0.000 0.248 126 N C -0.960 174.518 175.510 -0.054 0.000 1.093 126 N CA 0.965 53.984 53.050 -0.050 0.000 0.699 126 N CB -1.433 37.031 38.487 -0.038 0.000 1.016 126 N HN 0.281 nan 8.380 nan 0.000 0.552 127 L N 0.137 121.318 121.223 -0.071 0.000 2.309 127 L HA 0.356 4.685 4.340 -0.018 0.000 0.282 127 L C 0.667 177.506 176.870 -0.052 0.000 1.036 127 L CA -0.866 53.932 54.840 -0.069 0.000 0.806 127 L CB 1.346 43.346 42.059 -0.098 0.000 1.220 127 L HN -0.098 nan 8.230 nan 0.000 0.429 128 D N 1.959 122.340 120.400 -0.032 0.000 2.325 128 D HA 0.021 4.651 4.640 -0.018 0.000 0.251 128 D C 0.790 177.093 176.300 0.004 0.000 1.196 128 D CA 0.003 53.996 54.000 -0.011 0.000 0.866 128 D CB 1.831 42.628 40.800 -0.004 0.000 1.101 128 D HN 0.286 nan 8.370 nan 0.000 0.476 129 V N 4.009 123.937 119.914 0.022 0.000 2.453 129 V HA -0.273 3.836 4.120 -0.018 0.000 0.252 129 V C 2.062 178.200 176.094 0.075 0.000 1.068 129 V CA 2.917 65.259 62.300 0.071 0.000 1.070 129 V CB -0.521 31.367 31.823 0.107 0.000 0.664 129 V HN 0.749 nan 8.190 nan 0.000 0.461 130 S N -1.259 114.470 115.700 0.049 0.000 2.507 130 S HA -0.101 4.358 4.470 -0.018 0.000 0.235 130 S C 1.618 176.238 174.600 0.034 0.000 0.988 130 S CA 1.148 59.374 58.200 0.043 0.000 0.944 130 S CB -0.346 62.874 63.200 0.033 0.000 0.762 130 S HN 0.755 nan 8.310 nan 0.000 0.526 131 K N 0.564 120.980 120.400 0.027 0.000 2.374 131 K HA 0.303 4.613 4.320 -0.018 0.000 0.202 131 K C -0.805 175.804 176.600 0.014 0.000 1.040 131 K CA -0.069 56.224 56.287 0.010 0.000 1.085 131 K CB 1.183 33.679 32.500 -0.006 0.000 0.873 131 K HN 0.198 nan 8.250 nan 0.000 0.539 132 V N 3.568 123.511 119.914 0.048 0.000 2.334 132 V HA 0.209 4.318 4.120 -0.018 0.000 0.267 132 V C 0.179 176.341 176.094 0.115 0.000 1.040 132 V CA -0.773 61.574 62.300 0.078 0.000 0.866 132 V CB 0.554 32.441 31.823 0.106 0.000 1.019 132 V HN 0.164 nan 8.190 nan 0.000 0.468 133 R N 3.220 123.765 120.500 0.076 0.000 2.539 133 R HA 0.552 4.881 4.340 -0.018 0.000 0.275 133 R C -0.678 175.711 176.300 0.149 0.000 1.077 133 R CA -0.391 55.744 56.100 0.058 0.000 1.097 133 R CB 1.638 31.902 30.300 -0.059 0.000 1.018 133 R HN 0.437 nan 8.270 nan 0.000 0.483 134 V N 1.830 121.826 119.914 0.136 0.000 2.444 134 V HA 0.357 4.466 4.120 -0.018 0.000 0.294 134 V C -0.009 176.195 176.094 0.184 0.000 1.022 134 V CA -1.147 61.273 62.300 0.200 0.000 0.850 134 V CB 1.698 33.590 31.823 0.116 0.000 0.992 134 V HN 0.847 nan 8.190 nan 0.000 0.426 135 A N 7.915 130.919 122.820 0.307 0.000 2.350 135 A HA 0.611 4.920 4.320 -0.018 0.000 0.293 135 A C -2.232 175.542 177.584 0.316 0.000 1.231 135 A CA -1.231 50.996 52.037 0.317 0.000 0.883 135 A CB -0.008 19.334 19.000 0.570 0.000 1.133 135 A HN 0.573 nan 8.150 nan 0.000 0.533 136 P HA 0.391 nan 4.420 nan 0.000 0.284 136 P C -0.880 176.632 177.300 0.352 0.000 1.343 136 P CA 0.162 63.431 63.100 0.282 0.000 0.826 136 P CB 0.651 32.549 31.700 0.330 0.000 0.956 137 L N 2.190 123.659 121.223 0.409 0.000 2.333 137 L HA 0.465 4.795 4.340 -0.018 0.000 0.269 137 L C 0.976 178.159 176.870 0.521 0.000 1.010 137 L CA -1.080 54.083 54.840 0.538 0.000 0.818 137 L CB 1.724 44.211 42.059 0.712 0.000 1.306 137 L HN 0.283 nan 8.230 nan 0.000 0.430 138 S N 0.277 116.339 115.700 0.602 0.000 2.558 138 S HA 0.180 4.639 4.470 -0.018 0.000 0.288 138 S C 0.829 175.648 174.600 0.365 0.000 1.318 138 S CA -0.049 58.378 58.200 0.378 0.000 1.056 138 S CB 1.343 64.693 63.200 0.250 0.000 0.853 138 S HN 0.744 nan 8.310 nan 0.000 0.505 139 A N 3.305 126.239 122.820 0.190 0.000 1.984 139 A HA 0.548 4.857 4.320 -0.018 0.000 0.214 139 A C 1.569 179.317 177.584 0.275 0.000 1.173 139 A CA 0.722 52.816 52.037 0.096 0.000 0.673 139 A CB -1.500 17.468 19.000 -0.054 0.000 0.830 139 A HN 2.333 nan 8.150 nan 0.000 0.453 140 G N -1.888 107.051 108.800 0.233 0.000 2.642 140 G HA2 -0.042 3.907 3.960 -0.018 0.000 0.231 140 G HA3 -0.042 3.907 3.960 -0.018 0.000 0.231 140 G C -0.426 174.458 174.900 -0.027 0.000 1.338 140 G CA -0.245 44.962 45.100 0.180 0.000 0.883 140 G HN 1.135 nan 8.290 nan 0.000 0.570 141 V N 0.964 120.637 119.914 -0.400 0.000 2.447 141 V HA 0.727 4.836 4.120 -0.018 0.000 0.292 141 V C -0.225 175.318 176.094 -0.918 0.000 1.021 141 V CA -0.357 61.684 62.300 -0.432 0.000 0.850 141 V CB 1.034 32.660 31.823 -0.327 0.000 1.005 141 V HN 0.708 nan 8.190 nan 0.000 0.426 142 F N 1.763 121.704 119.950 -0.015 0.000 3.248 142 F HA 0.448 4.964 4.527 -0.018 0.000 0.244 142 F C 1.568 177.239 175.800 -0.215 0.000 1.581 142 F CA -0.574 57.364 58.000 -0.102 0.000 0.959 142 F CB 0.363 39.309 39.000 -0.090 0.000 1.844 142 F HN 0.450 nan 8.300 nan 0.000 0.343 143 E N 0.512 120.563 120.200 -0.249 0.000 2.465 143 E HA -0.020 4.319 4.350 -0.018 0.000 0.191 143 E C -0.981 175.439 176.600 -0.299 0.000 1.053 143 E CA 0.205 56.436 56.400 -0.282 0.000 0.869 143 E CB -0.632 28.920 29.700 -0.247 0.000 0.977 143 E HN 0.499 nan 8.360 nan 0.000 0.483 144 Y N 1.354 121.708 120.300 0.091 0.000 2.594 144 Y HA 0.387 4.926 4.550 -0.018 0.000 0.344 144 Y C 1.624 177.545 175.900 0.035 0.000 1.185 144 Y CA -0.167 57.974 58.100 0.069 0.000 1.565 144 Y CB 0.434 38.933 38.460 0.064 0.000 1.415 144 Y HN 0.104 nan 8.280 nan 0.000 0.488 145 A N 2.302 125.196 122.820 0.123 0.000 1.986 145 A HA -0.226 4.084 4.320 -0.018 0.000 0.220 145 A C 2.208 179.836 177.584 0.073 0.000 1.171 145 A CA 1.826 53.905 52.037 0.070 0.000 0.640 145 A CB -0.284 18.742 19.000 0.045 0.000 0.811 145 A HN 0.725 nan 8.150 nan 0.000 0.451 146 E N 0.654 120.914 120.200 0.099 0.000 2.409 146 E HA -0.198 4.141 4.350 -0.018 0.000 0.198 146 E C 1.164 177.800 176.600 0.060 0.000 1.024 146 E CA 1.375 57.818 56.400 0.071 0.000 0.861 146 E CB -0.438 29.306 29.700 0.074 0.000 0.788 146 E HN 0.777 nan 8.360 nan 0.000 0.521 147 E N 0.687 120.935 120.200 0.080 0.000 2.371 147 E HA 0.034 4.373 4.350 -0.018 0.000 0.194 147 E C 0.239 176.853 176.600 0.024 0.000 1.012 147 E CA -0.162 56.268 56.400 0.050 0.000 0.860 147 E CB 0.048 29.791 29.700 0.071 0.000 0.811 147 E HN 0.152 nan 8.360 nan 0.000 0.502 148 R N 0.471 120.984 120.500 0.023 0.000 2.457 148 R HA 0.094 4.423 4.340 -0.018 0.000 0.335 148 R C 0.791 177.088 176.300 -0.006 0.000 1.003 148 R CA 0.765 56.866 56.100 0.002 0.000 1.003 148 R CB 0.087 30.387 30.300 -0.001 0.000 0.950 148 R HN 0.289 nan 8.270 nan 0.000 0.428 149 G N 2.533 111.324 108.800 -0.016 0.000 2.176 149 G HA2 -0.278 3.671 3.960 -0.018 0.000 0.232 149 G HA3 -0.278 3.671 3.960 -0.018 0.000 0.232 149 G C 0.116 175.004 174.900 -0.020 0.000 0.986 149 G CA -0.421 44.664 45.100 -0.025 0.000 0.643 149 G HN 0.509 nan 8.290 nan 0.000 0.522 150 R N -0.183 120.311 120.500 -0.011 0.000 2.668 150 R HA 0.685 5.015 4.340 -0.018 0.000 0.279 150 R C 0.059 176.351 176.300 -0.012 0.000 0.976 150 R CA -0.891 55.205 56.100 -0.006 0.000 0.978 150 R CB 1.056 31.356 30.300 -0.000 0.000 1.133 150 R HN 0.122 nan 8.270 nan 0.000 0.484 151 R N 2.172 122.666 120.500 -0.010 0.000 2.205 151 R HA 0.328 4.657 4.340 -0.018 0.000 0.342 151 R C -0.368 175.918 176.300 -0.023 0.000 1.058 151 R CA -0.251 55.834 56.100 -0.025 0.000 0.904 151 R CB 0.473 30.750 30.300 -0.038 0.000 1.089 151 R HN 0.292 nan 8.270 nan 0.000 0.471 152 I N 4.442 124.997 120.570 -0.025 0.000 2.562 152 I HA 0.453 4.612 4.170 -0.018 0.000 0.301 152 I C 0.013 176.118 176.117 -0.019 0.000 1.003 152 I CA -0.830 60.450 61.300 -0.033 0.000 1.127 152 I CB 1.753 39.715 38.000 -0.063 0.000 1.304 152 I HN 0.480 nan 8.210 nan 0.000 0.446 153 L N 4.833 126.049 121.223 -0.012 0.000 2.401 153 L HA 0.545 4.874 4.340 -0.018 0.000 0.266 153 L C -0.259 176.600 176.870 -0.019 0.000 0.991 153 L CA -0.802 54.062 54.840 0.040 0.000 0.818 153 L CB 2.682 44.804 42.059 0.105 0.000 1.321 153 L HN 0.518 nan 8.230 nan 0.000 0.413 154 R N 0.659 121.130 120.500 -0.047 0.000 2.604 154 R HA 0.704 5.034 4.340 -0.018 0.000 0.287 154 R C -0.254 176.095 176.300 0.082 0.000 0.970 154 R CA -0.758 55.257 56.100 -0.141 0.000 0.946 154 R CB 2.018 31.847 30.300 -0.784 0.000 1.127 154 R HN 0.750 nan 8.270 nan 0.000 0.473 155 G N 2.143 111.012 108.800 0.114 0.000 2.513 155 G HA2 0.597 4.547 3.960 -0.018 0.000 0.317 155 G HA3 0.597 4.547 3.960 -0.018 0.000 0.317 155 G C -0.994 174.116 174.900 0.350 0.000 1.277 155 G CA -0.598 44.621 45.100 0.197 0.000 0.955 155 G HN 0.285 nan 8.290 nan 0.000 0.484 156 L N 1.599 123.093 121.223 0.453 0.000 2.362 156 L HA 0.677 5.006 4.340 -0.018 0.000 0.275 156 L C 0.501 177.558 176.870 0.312 0.000 0.998 156 L CA -0.990 54.107 54.840 0.429 0.000 0.820 156 L CB 2.165 44.574 42.059 0.583 0.000 1.270 156 L HN 0.646 nan 8.230 nan 0.000 0.415 157 A N 3.220 126.106 122.820 0.109 0.000 2.304 157 A HA 0.828 5.137 4.320 -0.018 0.000 0.301 157 A C -1.129 176.163 177.584 -0.487 0.000 1.132 157 A CA -0.083 51.970 52.037 0.027 0.000 0.819 157 A CB 0.365 19.425 19.000 0.100 0.000 1.094 157 A HN 0.517 nan 8.150 nan 0.000 0.492 158 F N 0.872 120.796 119.950 -0.043 0.000 2.574 158 F HA 0.392 4.909 4.527 -0.018 0.000 0.313 158 F C -0.133 175.611 175.800 -0.094 0.000 1.130 158 F CA -0.681 57.244 58.000 -0.124 0.000 0.936 158 F CB 2.200 40.996 39.000 -0.339 0.000 1.219 158 F HN 0.310 nan 8.300 nan 0.000 0.445 159 V N 3.019 122.993 119.914 0.101 0.000 2.530 159 V HA 0.220 4.329 4.120 -0.018 0.000 0.282 159 V C -0.197 175.929 176.094 0.054 0.000 1.048 159 V CA -0.360 61.963 62.300 0.039 0.000 0.997 159 V CB 1.283 33.084 31.823 -0.036 0.000 0.987 159 V HN 0.759 nan 8.190 nan 0.000 0.477 160 Q N 2.918 122.701 119.800 -0.028 0.000 2.394 160 Q HA 0.235 4.565 4.340 -0.018 0.000 0.259 160 Q C 0.025 175.953 176.000 -0.119 0.000 1.021 160 Q CA -0.651 55.099 55.803 -0.090 0.000 0.805 160 Q CB 1.213 29.877 28.738 -0.123 0.000 1.226 160 Q HN 0.763 nan 8.270 nan 0.000 0.476 161 D N 3.380 123.671 120.400 -0.180 0.000 2.219 161 D HA -0.015 4.614 4.640 -0.018 0.000 0.205 161 D C 0.002 176.373 176.300 0.119 0.000 0.970 161 D CA 1.199 55.163 54.000 -0.060 0.000 0.851 161 D CB 0.114 40.926 40.800 0.020 0.000 0.943 161 D HN 0.431 nan 8.370 nan 0.000 0.488 162 F N -4.630 115.311 119.950 -0.015 0.000 2.693 162 F HA 0.385 4.901 4.527 -0.018 0.000 0.309 162 F C -2.446 173.342 175.800 -0.020 0.000 1.129 162 F CA -2.250 55.737 58.000 -0.021 0.000 0.948 162 F CB 0.595 39.576 39.000 -0.031 0.000 1.315 162 F HN -0.412 nan 8.300 nan 0.000 0.447 163 P HA -0.195 nan 4.420 nan 0.000 0.218 163 P C 0.288 177.598 177.300 0.016 0.000 1.154 163 P CA 2.278 65.417 63.100 0.064 0.000 0.872 163 P CB 0.135 31.889 31.700 0.091 0.000 0.790 164 E N -1.630 118.635 120.200 0.108 0.000 2.444 164 E HA 0.085 4.425 4.350 -0.018 0.000 0.191 164 E C 0.057 176.553 176.600 -0.173 0.000 1.041 164 E CA -0.053 56.371 56.400 0.040 0.000 0.883 164 E CB -0.600 29.195 29.700 0.158 0.000 1.024 164 E HN 0.307 nan 8.360 nan 0.000 0.470 165 D N 0.192 120.239 120.400 -0.588 0.000 2.341 165 D HA 0.076 4.705 4.640 -0.018 0.000 0.245 165 D C -0.531 175.546 176.300 -0.372 0.000 1.106 165 D CA -0.118 53.380 54.000 -0.837 0.000 0.905 165 D CB 0.947 40.948 40.800 -1.332 0.000 1.202 165 D HN -0.098 nan 8.370 nan 0.000 0.426 166 S N 2.196 117.744 115.700 -0.252 0.000 2.399 166 S HA 0.440 4.900 4.470 -0.018 0.000 0.301 166 S C 0.994 175.514 174.600 -0.133 0.000 1.093 166 S CA -0.257 57.870 58.200 -0.122 0.000 1.077 166 S CB 0.443 63.622 63.200 -0.035 0.000 0.980 166 S HN 0.505 nan 8.310 nan 0.000 0.494 167 A N 4.954 127.596 122.820 -0.297 0.000 2.070 167 A HA -0.016 4.293 4.320 -0.018 0.000 0.220 167 A C 1.410 178.851 177.584 -0.238 0.000 1.159 167 A CA 0.868 52.744 52.037 -0.269 0.000 0.656 167 A CB -0.746 18.015 19.000 -0.399 0.000 0.800 167 A HN 0.998 nan 8.150 nan 0.000 0.453 168 W N -0.145 121.107 121.300 -0.080 0.000 2.387 168 W HA -0.024 4.625 4.660 -0.018 0.000 0.272 168 W C 2.385 179.000 176.519 0.160 0.000 1.224 168 W CA 0.779 58.066 57.345 -0.097 0.000 1.210 168 W CB -0.158 29.249 29.460 -0.089 0.000 1.125 168 W HN 0.372 nan 8.180 nan 0.000 0.572 169 A N -0.667 122.319 122.820 0.277 0.000 2.119 169 A HA -0.066 4.243 4.320 -0.018 0.000 0.217 169 A C 0.676 178.123 177.584 -0.228 0.000 1.153 169 A CA 0.825 52.913 52.037 0.086 0.000 0.692 169 A CB -0.584 18.379 19.000 -0.061 0.000 0.799 169 A HN 0.331 nan 8.150 nan 0.000 0.458 170 H N -0.115 119.075 119.070 0.200 0.000 2.429 170 H HA 0.247 4.792 4.556 -0.018 0.000 0.237 170 H C -2.858 172.499 175.328 0.049 0.000 1.378 170 H CA -2.379 53.730 56.048 0.101 0.000 1.170 170 H CB -0.408 29.389 29.762 0.058 0.000 1.671 170 H HN 0.370 nan 8.280 nan 0.000 0.541 171 P HA -0.002 nan 4.420 nan 0.000 0.271 171 P C 0.310 177.444 177.300 -0.278 0.000 1.218 171 P CA -0.216 62.696 63.100 -0.313 0.000 0.780 171 P CB 1.920 33.498 31.700 -0.205 0.000 0.901 172 V N 3.472 123.141 119.914 -0.408 0.000 2.259 172 V HA 0.145 4.254 4.120 -0.018 0.000 0.267 172 V C 0.658 176.612 176.094 -0.234 0.000 1.051 172 V CA -0.316 61.837 62.300 -0.245 0.000 0.830 172 V CB 0.205 31.888 31.823 -0.235 0.000 1.080 172 V HN 0.524 nan 8.190 nan 0.000 0.467 173 D N 2.937 123.207 120.400 -0.217 0.000 2.358 173 D HA 0.412 5.041 4.640 -0.018 0.000 0.244 173 D C 1.296 177.553 176.300 -0.071 0.000 1.163 173 D CA 1.465 55.272 54.000 -0.322 0.000 0.945 173 D CB 1.718 42.026 40.800 -0.820 0.000 1.152 173 D HN 0.737 nan 8.370 nan 0.000 0.451 174 G N 0.374 109.142 108.800 -0.053 0.000 2.159 174 G HA2 -0.215 3.734 3.960 -0.018 0.000 0.256 174 G HA3 -0.215 3.734 3.960 -0.018 0.000 0.256 174 G C -0.131 174.820 174.900 0.086 0.000 0.977 174 G CA 0.542 45.767 45.100 0.208 0.000 0.652 174 G HN 0.489 nan 8.290 nan 0.000 0.531 175 L N -0.018 121.220 121.223 0.025 0.000 2.431 175 L HA 0.933 5.263 4.340 -0.018 0.000 0.266 175 L C -0.715 176.234 176.870 0.132 0.000 0.978 175 L CA -1.085 53.765 54.840 0.017 0.000 0.822 175 L CB 2.402 44.378 42.059 -0.138 0.000 1.310 175 L HN 0.650 nan 8.230 nan 0.000 0.409 176 V N 3.817 123.845 119.914 0.190 0.000 3.000 176 V HA 0.962 5.071 4.120 -0.018 0.000 0.300 176 V C -1.400 174.771 176.094 0.128 0.000 1.251 176 V CA 0.301 62.758 62.300 0.261 0.000 0.972 176 V CB 2.073 34.086 31.823 0.317 0.000 1.065 176 V HN 1.208 nan 8.190 nan 0.000 0.431 177 A N 4.977 127.862 122.820 0.109 0.000 2.401 177 A HA 0.969 5.279 4.320 -0.018 0.000 0.310 177 A C -2.014 175.545 177.584 -0.043 0.000 1.075 177 A CA -0.465 51.504 52.037 -0.113 0.000 0.746 177 A CB 1.691 20.573 19.000 -0.196 0.000 1.277 177 A HN 0.852 nan 8.150 nan 0.000 0.425 178 Y N 0.235 120.410 120.300 -0.208 0.000 2.377 178 Y HA 0.636 5.175 4.550 -0.018 0.000 0.339 178 Y C -0.130 175.660 175.900 -0.182 0.000 1.011 178 Y CA -1.708 56.244 58.100 -0.247 0.000 1.093 178 Y CB 1.773 40.037 38.460 -0.327 0.000 1.201 178 Y HN 0.367 nan 8.280 nan 0.000 0.455 179 V N 2.891 122.810 119.914 0.007 0.000 2.638 179 V HA 0.234 4.343 4.120 -0.018 0.000 0.306 179 V C -0.748 175.334 176.094 -0.021 0.000 1.052 179 V CA -1.087 61.194 62.300 -0.031 0.000 0.885 179 V CB 2.272 34.058 31.823 -0.061 0.000 0.999 179 V HN 0.688 nan 8.190 nan 0.000 0.424 180 D N 3.219 123.608 120.400 -0.018 0.000 2.339 180 D HA 0.154 4.783 4.640 -0.018 0.000 0.241 180 D C 0.965 177.260 176.300 -0.009 0.000 1.183 180 D CA -0.166 53.827 54.000 -0.011 0.000 0.859 180 D CB 1.979 42.776 40.800 -0.005 0.000 1.067 180 D HN 0.460 nan 8.370 nan 0.000 0.484 181 V N 2.277 122.186 119.914 -0.009 0.000 3.380 181 V HA -0.035 4.075 4.120 -0.018 0.000 0.268 181 V C 1.495 177.599 176.094 0.015 0.000 1.168 181 V CA 0.411 62.708 62.300 -0.006 0.000 1.156 181 V CB -0.149 31.660 31.823 -0.023 0.000 0.785 181 V HN 0.382 nan 8.190 nan 0.000 0.487 182 V N 1.393 121.324 119.914 0.029 0.000 2.521 182 V HA -0.033 4.076 4.120 -0.018 0.000 0.239 182 V C 2.743 178.857 176.094 0.032 0.000 1.053 182 V CA 1.759 64.094 62.300 0.058 0.000 1.073 182 V CB -0.024 31.850 31.823 0.086 0.000 0.746 182 V HN 0.704 nan 8.190 nan 0.000 0.476 183 S N -1.000 114.711 115.700 0.018 0.000 2.561 183 S HA -0.043 4.416 4.470 -0.018 0.000 0.225 183 S C 0.775 175.379 174.600 0.005 0.000 0.977 183 S CA 0.014 58.219 58.200 0.009 0.000 0.926 183 S CB -0.227 62.976 63.200 0.005 0.000 0.769 183 S HN 0.470 nan 8.310 nan 0.000 0.533 184 K N 1.046 121.448 120.400 0.004 0.000 3.244 184 K HA -0.131 4.178 4.320 -0.018 0.000 0.270 184 K C -0.940 175.653 176.600 -0.012 0.000 1.016 184 K CA 0.921 57.206 56.287 -0.004 0.000 0.754 184 K CB -2.398 30.104 32.500 0.002 0.000 1.326 184 K HN 0.772 nan 8.250 nan 0.000 0.465 185 E N -0.428 119.762 120.200 -0.016 0.000 2.266 185 E HA 0.433 4.772 4.350 -0.018 0.000 0.268 185 E C -0.407 176.172 176.600 -0.034 0.000 0.879 185 E CA -1.107 55.281 56.400 -0.021 0.000 0.762 185 E CB 2.233 31.926 29.700 -0.012 0.000 1.199 185 E HN -0.047 nan 8.360 nan 0.000 0.422 186 V N 2.827 122.714 119.914 -0.045 0.000 2.368 186 V HA 0.014 4.124 4.120 -0.018 0.000 0.266 186 V C 1.355 177.421 176.094 -0.047 0.000 1.045 186 V CA 0.204 62.465 62.300 -0.065 0.000 0.899 186 V CB 0.617 32.388 31.823 -0.087 0.000 1.006 186 V HN 0.949 nan 8.190 nan 0.000 0.470 187 T N 2.415 116.945 114.554 -0.039 0.000 2.985 187 T HA 0.112 4.451 4.350 -0.018 0.000 0.266 187 T C 0.804 175.465 174.700 -0.066 0.000 1.076 187 T CA 0.431 62.514 62.100 -0.029 0.000 1.135 187 T CB 0.376 69.245 68.868 0.002 0.000 0.890 187 T HN 0.497 nan 8.240 nan 0.000 0.480 188 R N -0.575 119.842 120.500 -0.138 0.000 2.634 188 R HA 0.571 4.900 4.340 -0.018 0.000 0.263 188 R C -2.517 173.596 176.300 -0.312 0.000 1.060 188 R CA -0.590 55.360 56.100 -0.250 0.000 0.898 188 R CB 2.383 32.437 30.300 -0.409 0.000 1.253 188 R HN 0.102 nan 8.270 nan 0.000 0.461 189 V N 5.227 125.017 119.914 -0.208 0.000 2.524 189 V HA 0.480 4.589 4.120 -0.018 0.000 0.297 189 V C -0.469 175.559 176.094 -0.109 0.000 1.035 189 V CA -0.579 61.665 62.300 -0.094 0.000 0.867 189 V CB 1.801 33.669 31.823 0.075 0.000 1.004 189 V HN 0.575 nan 8.190 nan 0.000 0.426 190 I N 4.134 124.626 120.570 -0.129 0.000 2.362 190 I HA 0.490 4.649 4.170 -0.018 0.000 0.289 190 I C -0.850 175.262 176.117 -0.008 0.000 0.994 190 I CA -0.207 61.046 61.300 -0.079 0.000 1.158 190 I CB 1.798 39.732 38.000 -0.111 0.000 1.315 190 I HN 0.504 nan 8.210 nan 0.000 0.451 191 D N 4.590 124.988 120.400 -0.003 0.000 2.471 191 D HA 0.184 4.813 4.640 -0.018 0.000 0.245 191 D C 0.737 177.049 176.300 0.019 0.000 1.116 191 D CA -0.366 53.635 54.000 0.001 0.000 0.853 191 D CB 1.661 42.444 40.800 -0.029 0.000 1.123 191 D HN 0.627 nan 8.370 nan 0.000 0.540 192 T N 0.426 115.013 114.554 0.055 0.000 3.107 192 T HA 0.491 4.830 4.350 -0.018 0.000 0.249 192 T C 0.914 175.636 174.700 0.037 0.000 1.096 192 T CA 0.230 62.368 62.100 0.064 0.000 1.012 192 T CB 0.201 69.136 68.868 0.112 0.000 0.977 192 T HN 0.613 nan 8.240 nan 0.000 0.527 193 G N 0.921 109.736 108.800 0.024 0.000 2.348 193 G HA2 0.307 4.257 3.960 -0.018 0.000 0.606 193 G HA3 0.307 4.257 3.960 -0.018 0.000 0.606 193 G C -0.732 174.149 174.900 -0.032 0.000 1.466 193 G CA -0.625 44.444 45.100 -0.051 0.000 0.950 193 G HN 1.003 nan 8.290 nan 0.000 0.657 194 V N -1.015 118.847 119.914 -0.087 0.000 2.775 194 V HA 0.867 4.976 4.120 -0.018 0.000 0.299 194 V C -0.099 175.930 176.094 -0.108 0.000 1.062 194 V CA -0.540 61.739 62.300 -0.036 0.000 1.063 194 V CB 1.004 32.794 31.823 -0.055 0.000 0.994 194 V HN 0.880 nan 8.190 nan 0.000 0.483 195 F N 2.269 122.183 119.950 -0.061 0.000 2.576 195 F HA 0.700 5.217 4.527 -0.018 0.000 0.313 195 F C -2.192 173.582 175.800 -0.044 0.000 1.078 195 F CA -2.164 55.806 58.000 -0.050 0.000 0.921 195 F CB 2.056 41.025 39.000 -0.052 0.000 1.232 195 F HN 0.414 nan 8.300 nan 0.000 0.459 196 P HA 0.138 nan 4.420 nan 0.000 0.268 196 P C -0.953 176.401 177.300 0.091 0.000 1.205 196 P CA -0.167 62.985 63.100 0.087 0.000 0.771 196 P CB 0.568 32.313 31.700 0.076 0.000 0.858 197 V N 6.363 126.310 119.914 0.055 0.000 2.385 197 V HA 0.177 4.286 4.120 -0.018 0.000 0.269 197 V C -1.880 174.266 176.094 0.087 0.000 1.043 197 V CA -1.575 60.754 62.300 0.048 0.000 0.906 197 V CB 0.555 32.386 31.823 0.014 0.000 0.995 197 V HN 0.579 nan 8.190 nan 0.000 0.467 198 P HA 0.015 nan 4.420 nan 0.000 0.260 198 P C 0.469 177.924 177.300 0.259 0.000 1.172 198 P CA 0.382 63.561 63.100 0.130 0.000 0.760 198 P CB 0.777 32.515 31.700 0.064 0.000 0.773 199 A N 3.412 126.352 122.820 0.200 0.000 1.984 199 A HA -0.029 4.280 4.320 -0.018 0.000 0.214 199 A C 1.006 178.785 177.584 0.326 0.000 1.173 199 A CA 0.417 52.588 52.037 0.223 0.000 0.673 199 A CB -0.512 18.562 19.000 0.124 0.000 0.830 199 A HN 0.571 nan 8.150 nan 0.000 0.453 200 E N 0.772 121.118 120.200 0.243 0.000 2.414 200 E HA 0.150 4.489 4.350 -0.018 0.000 0.263 200 E C -0.265 176.502 176.600 0.278 0.000 1.000 200 E CA -0.186 56.340 56.400 0.211 0.000 0.914 200 E CB 0.258 30.037 29.700 0.131 0.000 0.948 200 E HN 0.736 nan 8.360 nan 0.000 0.444 201 H N 0.863 120.093 119.070 0.265 0.000 2.547 201 H HA 0.448 4.994 4.556 -0.018 0.000 0.362 201 H C 0.496 175.914 175.328 0.150 0.000 1.181 201 H CA -0.515 55.651 56.048 0.198 0.000 1.376 201 H CB 1.336 31.236 29.762 0.230 0.000 1.488 201 H HN 0.444 nan 8.280 nan 0.000 0.583 202 G N 1.304 110.217 108.800 0.188 0.000 4.331 202 G HA2 0.071 4.021 3.960 -0.018 0.000 0.299 202 G HA3 0.071 4.021 3.960 -0.018 0.000 0.299 202 G C -0.750 174.105 174.900 -0.075 0.000 1.158 202 G CA -0.725 44.339 45.100 -0.060 0.000 0.916 202 G HN 0.757 nan 8.290 nan 0.000 0.553 203 N N 1.318 120.152 118.700 0.224 0.000 2.508 203 N HA 0.181 4.910 4.740 -0.018 0.000 0.253 203 N C 0.801 176.256 175.510 -0.091 0.000 1.145 203 N CA -0.610 52.397 53.050 -0.071 0.000 0.973 203 N CB 0.306 38.785 38.487 -0.013 0.000 1.305 203 N HN 0.536 nan 8.380 nan 0.000 0.506 204 Y N -0.155 120.131 120.300 -0.024 0.000 2.716 204 Y HA -0.060 4.479 4.550 -0.018 0.000 0.302 204 Y C 1.743 177.634 175.900 -0.014 0.000 1.160 204 Y CA 0.272 58.339 58.100 -0.054 0.000 1.362 204 Y CB -0.734 37.653 38.460 -0.121 0.000 0.988 204 Y HN 0.326 nan 8.280 nan 0.000 0.546 205 T N -4.001 110.538 114.554 -0.025 0.000 3.044 205 T HA 0.083 4.423 4.350 -0.018 0.000 0.260 205 T C -0.028 174.680 174.700 0.013 0.000 1.019 205 T CA -0.248 61.866 62.100 0.023 0.000 0.921 205 T CB -0.191 68.680 68.868 0.005 0.000 1.053 205 T HN 0.189 nan 8.240 nan 0.000 0.533 206 D N 3.378 123.793 120.400 0.024 0.000 2.325 206 D HA 0.224 4.854 4.640 -0.018 0.000 0.251 206 D C -1.151 175.187 176.300 0.063 0.000 1.196 206 D CA -2.535 51.487 54.000 0.037 0.000 0.866 206 D CB 1.842 42.673 40.800 0.050 0.000 1.101 206 D HN 0.020 nan 8.370 nan 0.000 0.476 207 P HA -0.201 nan 4.420 nan 0.000 0.220 207 P C 1.061 178.391 177.300 0.050 0.000 1.144 207 P CA 0.869 63.991 63.100 0.037 0.000 0.800 207 P CB 0.337 32.048 31.700 0.020 0.000 0.772 208 E N -0.544 119.697 120.200 0.068 0.000 2.150 208 E HA -0.165 4.175 4.350 -0.018 0.000 0.193 208 E C 1.797 178.459 176.600 0.102 0.000 0.985 208 E CA 0.674 57.127 56.400 0.088 0.000 0.814 208 E CB -0.224 29.548 29.700 0.120 0.000 0.752 208 E HN 0.115 nan 8.360 nan 0.000 0.466 209 L N 0.423 121.723 121.223 0.128 0.000 2.200 209 L HA -0.016 4.313 4.340 -0.018 0.000 0.200 209 L C 2.552 179.454 176.870 0.054 0.000 1.072 209 L CA 2.012 56.906 54.840 0.089 0.000 0.787 209 L CB -0.538 41.594 42.059 0.121 0.000 0.957 209 L HN 0.214 nan 8.230 nan 0.000 0.459 210 T N -2.361 112.228 114.554 0.059 0.000 2.821 210 T HA 0.324 4.663 4.350 -0.018 0.000 0.267 210 T C 1.205 175.923 174.700 0.030 0.000 1.046 210 T CA 0.639 62.764 62.100 0.041 0.000 1.139 210 T CB -0.948 67.946 68.868 0.044 0.000 0.871 210 T HN 0.792 nan 8.240 nan 0.000 0.454 211 G N 1.730 110.550 108.800 0.033 0.000 2.728 211 G HA2 0.008 3.958 3.960 -0.018 0.000 0.294 211 G HA3 0.008 3.958 3.960 -0.018 0.000 0.294 211 G C -2.950 171.962 174.900 0.021 0.000 1.342 211 G CA -0.752 44.363 45.100 0.026 0.000 0.866 211 G HN 0.537 nan 8.290 nan 0.000 0.534 212 P HA 0.393 nan 4.420 nan 0.000 0.268 212 P C 0.433 177.740 177.300 0.012 0.000 1.204 212 P CA -0.277 62.831 63.100 0.013 0.000 0.768 212 P CB 0.401 32.107 31.700 0.010 0.000 0.842 213 L N 3.507 124.737 121.223 0.011 0.000 2.426 213 L HA 0.223 4.552 4.340 -0.018 0.000 0.271 213 L C 1.158 178.032 176.870 0.006 0.000 1.169 213 L CA -0.400 54.446 54.840 0.009 0.000 0.836 213 L CB 0.167 42.232 42.059 0.010 0.000 1.112 213 L HN 0.349 nan 8.230 nan 0.000 0.465 214 R N 0.661 121.164 120.500 0.004 0.000 2.585 214 R HA 0.008 4.337 4.340 -0.018 0.000 0.275 214 R C 0.915 177.216 176.300 0.002 0.000 1.018 214 R CA 0.501 56.603 56.100 0.002 0.000 1.072 214 R CB 0.215 30.515 30.300 -0.000 0.000 0.953 214 R HN 0.721 nan 8.270 nan 0.000 0.419 215 T N -3.435 111.120 114.554 0.001 0.000 3.085 215 T HA -0.016 4.323 4.350 -0.018 0.000 0.264 215 T C 1.357 176.057 174.700 0.000 0.000 1.019 215 T CA 0.180 62.281 62.100 0.001 0.000 0.910 215 T CB 0.322 69.191 68.868 0.002 0.000 1.059 215 T HN 0.678 nan 8.240 nan 0.000 0.542 216 T N -0.256 114.297 114.554 -0.001 0.000 3.067 216 T HA 0.097 4.437 4.350 -0.018 0.000 0.261 216 T C 0.791 175.490 174.700 -0.003 0.000 1.110 216 T CA 0.001 62.100 62.100 -0.002 0.000 1.113 216 T CB -0.397 68.470 68.868 -0.003 0.000 0.917 216 T HN 0.408 nan 8.240 nan 0.000 0.499 217 Q N 2.171 121.970 119.800 -0.002 0.000 2.323 217 Q HA 0.258 4.587 4.340 -0.018 0.000 0.257 217 Q C -0.395 175.604 176.000 -0.001 0.000 1.022 217 Q CA -0.283 55.518 55.803 -0.003 0.000 0.919 217 Q CB 0.697 29.433 28.738 -0.003 0.000 1.220 217 Q HN 0.209 nan 8.270 nan 0.000 0.427 218 K N 3.511 123.910 120.400 -0.002 0.000 2.118 218 K HA 0.373 4.683 4.320 -0.018 0.000 0.264 218 K C -1.947 174.654 176.600 0.001 0.000 1.000 218 K CA -1.807 54.480 56.287 -0.000 0.000 0.929 218 K CB 0.166 32.666 32.500 -0.001 0.000 1.021 218 K HN 0.484 nan 8.250 nan 0.000 0.463 219 P HA 0.235 nan 4.420 nan 0.000 0.271 219 P C -0.443 176.860 177.300 0.005 0.000 1.218 219 P CA -0.073 63.030 63.100 0.005 0.000 0.780 219 P CB 0.594 32.298 31.700 0.006 0.000 0.901 220 I N 1.269 121.844 120.570 0.008 0.000 2.437 220 I HA 0.111 4.271 4.170 -0.018 0.000 0.279 220 I C 0.462 176.588 176.117 0.015 0.000 1.028 220 I CA -0.495 60.810 61.300 0.010 0.000 1.142 220 I CB 1.411 39.417 38.000 0.010 0.000 1.266 220 I HN 0.290 nan 8.210 nan 0.000 0.461 221 S N 7.656 123.365 115.700 0.016 0.000 2.452 221 S HA 0.603 5.062 4.470 -0.018 0.000 0.284 221 S C -0.484 174.132 174.600 0.026 0.000 1.171 221 S CA -0.386 57.826 58.200 0.020 0.000 1.064 221 S CB 0.343 63.554 63.200 0.017 0.000 0.967 221 S HN 0.450 nan 8.310 nan 0.000 0.484 222 I N 5.170 125.759 120.570 0.032 0.000 2.382 222 I HA 0.378 4.538 4.170 -0.018 0.000 0.286 222 I C 0.131 176.275 176.117 0.044 0.000 1.002 222 I CA -0.425 60.901 61.300 0.044 0.000 1.135 222 I CB 1.946 39.980 38.000 0.057 0.000 1.288 222 I HN 0.717 nan 8.210 nan 0.000 0.448 223 T N 1.943 116.524 114.554 0.045 0.000 2.883 223 T HA 0.507 4.846 4.350 -0.018 0.000 0.296 223 T C -0.765 173.964 174.700 0.047 0.000 1.117 223 T CA -0.900 61.225 62.100 0.041 0.000 1.006 223 T CB 2.298 71.185 68.868 0.031 0.000 1.191 223 T HN 0.497 nan 8.240 nan 0.000 0.508 224 Q N 1.082 120.907 119.800 0.042 0.000 2.771 224 Q HA 0.260 4.590 4.340 -0.018 0.000 0.247 224 Q C -2.186 173.828 176.000 0.024 0.000 0.986 224 Q CA -1.884 53.944 55.803 0.041 0.000 0.713 224 Q CB 1.850 30.616 28.738 0.048 0.000 1.241 224 Q HN 0.503 nan 8.270 nan 0.000 0.488 225 P HA -0.226 nan 4.420 nan 0.000 0.218 225 P C 0.145 177.451 177.300 0.010 0.000 1.154 225 P CA 1.538 64.648 63.100 0.016 0.000 0.872 225 P CB 0.353 32.063 31.700 0.016 0.000 0.790 226 E N -1.149 119.056 120.200 0.009 0.000 2.451 226 E HA 0.372 4.712 4.350 -0.018 0.000 0.194 226 E C 0.816 177.409 176.600 -0.012 0.000 1.027 226 E CA -0.002 56.399 56.400 0.001 0.000 0.914 226 E CB 0.073 29.775 29.700 0.004 0.000 1.054 226 E HN 0.149 nan 8.360 nan 0.000 0.461 227 G N 2.323 111.115 108.800 -0.014 0.000 2.760 227 G HA2 -0.199 3.750 3.960 -0.018 0.000 0.246 227 G HA3 -0.199 3.750 3.960 -0.018 0.000 0.246 227 G C -2.824 172.038 174.900 -0.063 0.000 1.359 227 G CA -1.157 43.916 45.100 -0.046 0.000 0.861 227 G HN 0.007 nan 8.290 nan 0.000 0.541 228 P HA 0.459 nan 4.420 nan 0.000 0.276 228 P C 0.603 177.814 177.300 -0.150 0.000 1.252 228 P CA -0.082 62.889 63.100 -0.214 0.000 0.802 228 P CB 1.065 32.307 31.700 -0.762 0.000 1.035 229 S N -0.363 115.386 115.700 0.081 0.000 2.558 229 S HA 0.118 4.577 4.470 -0.018 0.000 0.217 229 S C 0.540 175.318 174.600 0.297 0.000 0.975 229 S CA 0.197 58.506 58.200 0.181 0.000 0.912 229 S CB -0.831 62.528 63.200 0.265 0.000 0.776 229 S HN 0.544 nan 8.310 nan 0.000 0.526 230 F N 2.099 122.251 119.950 0.336 0.000 2.399 230 F HA 0.728 5.244 4.527 -0.018 0.000 0.328 230 F C 0.147 176.038 175.800 0.151 0.000 1.084 230 F CA -1.094 57.084 58.000 0.296 0.000 1.053 230 F CB 0.406 39.541 39.000 0.225 0.000 1.209 230 F HN -0.146 nan 8.300 nan 0.000 0.502 231 T N 0.091 114.831 114.554 0.310 0.000 2.829 231 T HA 0.701 5.040 4.350 -0.018 0.000 0.280 231 T C -1.009 173.848 174.700 0.261 0.000 0.999 231 T CA -0.808 61.400 62.100 0.180 0.000 0.983 231 T CB 1.371 70.319 68.868 0.133 0.000 0.968 231 T HN 0.661 nan 8.240 nan 0.000 0.446 232 V N 3.014 123.057 119.914 0.215 0.000 2.370 232 V HA 0.636 4.745 4.120 -0.018 0.000 0.283 232 V C 0.324 176.516 176.094 0.162 0.000 1.023 232 V CA -0.441 61.981 62.300 0.204 0.000 0.857 232 V CB 1.386 33.332 31.823 0.204 0.000 0.985 232 V HN 1.146 nan 8.190 nan 0.000 0.443 233 T N 2.857 117.524 114.554 0.190 0.000 2.893 233 T HA 0.613 4.953 4.350 -0.018 0.000 0.293 233 T C 0.654 175.452 174.700 0.164 0.000 1.027 233 T CA 0.450 62.652 62.100 0.171 0.000 0.988 233 T CB 1.508 70.495 68.868 0.199 0.000 1.043 233 T HN 1.352 nan 8.240 nan 0.000 0.461 234 G N 1.452 110.316 108.800 0.107 0.000 2.249 234 G HA2 -0.033 3.917 3.960 -0.018 0.000 0.273 234 G HA3 -0.033 3.917 3.960 -0.018 0.000 0.273 234 G C 1.233 176.193 174.900 0.099 0.000 1.036 234 G CA 1.013 46.167 45.100 0.090 0.000 0.824 234 G HN 1.855 nan 8.290 nan 0.000 0.504 235 G N -0.114 108.745 108.800 0.097 0.000 2.550 235 G HA2 -0.293 3.656 3.960 -0.018 0.000 0.233 235 G HA3 -0.293 3.656 3.960 -0.018 0.000 0.233 235 G C 0.943 175.902 174.900 0.099 0.000 1.170 235 G CA 1.288 46.441 45.100 0.090 0.000 0.693 235 G HN 2.222 nan 8.290 nan 0.000 0.512 236 N N -0.334 118.436 118.700 0.117 0.000 2.142 236 N HA 0.105 4.834 4.740 -0.018 0.000 0.233 236 N C -0.235 175.345 175.510 0.116 0.000 1.335 236 N CA 0.189 53.301 53.050 0.104 0.000 0.837 236 N CB -0.355 38.190 38.487 0.098 0.000 1.238 236 N HN 0.620 nan 8.380 nan 0.000 0.501 237 H N 1.065 120.176 119.070 0.069 0.000 2.604 237 H HA 0.401 4.946 4.556 -0.018 0.000 0.306 237 H C -0.942 174.435 175.328 0.082 0.000 1.075 237 H CA -0.303 55.784 56.048 0.064 0.000 1.357 237 H CB 0.991 30.791 29.762 0.064 0.000 1.426 237 H HN -0.046 nan 8.280 nan 0.000 0.470 238 I N 4.928 125.234 120.570 -0.439 0.000 2.460 238 I HA 0.152 4.311 4.170 -0.018 0.000 0.298 238 I C -0.063 175.906 176.117 -0.248 0.000 0.989 238 I CA -0.366 60.809 61.300 -0.208 0.000 1.173 238 I CB 1.675 39.581 38.000 -0.157 0.000 1.338 238 I HN 0.524 nan 8.210 nan 0.000 0.456 239 E N 5.069 125.301 120.200 0.053 0.000 2.244 239 E HA 0.309 4.649 4.350 -0.018 0.000 0.260 239 E C -1.818 174.978 176.600 0.327 0.000 0.884 239 E CA -0.517 55.975 56.400 0.153 0.000 0.777 239 E CB 2.392 32.195 29.700 0.172 0.000 1.197 239 E HN 0.599 nan 8.360 nan 0.000 0.416 240 W N 3.729 125.098 121.300 0.115 0.000 3.326 240 W HA 0.148 4.797 4.660 -0.017 0.000 0.333 240 W C -0.461 176.159 176.519 0.169 0.000 1.108 240 W CA -0.423 57.017 57.345 0.158 0.000 1.245 240 W CB 0.924 30.478 29.460 0.156 0.000 1.331 240 W HN 0.317 nan 8.180 nan 0.000 0.464 241 E N 6.120 125.994 120.200 -0.544 0.000 2.149 241 E HA -0.306 4.033 4.350 -0.018 0.000 0.191 241 E C 0.522 176.834 176.600 -0.479 0.000 1.384 241 E CA 1.767 57.760 56.400 -0.679 0.000 0.698 241 E CB -0.832 28.035 29.700 -1.388 0.000 1.086 241 E HN 0.747 nan 8.360 nan 0.000 0.338 242 K N -4.556 115.590 120.400 -0.422 0.000 3.615 242 K HA -0.235 4.074 4.320 -0.018 0.000 0.269 242 K C 0.316 176.520 176.600 -0.660 0.000 1.107 242 K CA 1.817 57.683 56.287 -0.702 0.000 1.059 242 K CB -1.785 29.878 32.500 -1.394 0.000 1.317 242 K HN 0.323 nan 8.250 nan 0.000 0.494 243 W N 1.709 122.831 121.300 -0.296 0.000 2.237 243 W HA 0.461 5.110 4.660 -0.017 0.000 0.335 243 W C 0.899 177.412 176.519 -0.011 0.000 1.230 243 W CA 0.028 57.343 57.345 -0.050 0.000 1.253 243 W CB 1.109 30.684 29.460 0.192 0.000 1.129 243 W HN 0.024 nan 8.180 nan 0.000 0.590 244 S N 3.374 119.255 115.700 0.301 0.000 2.548 244 S HA 0.824 5.283 4.470 -0.018 0.000 0.276 244 S C -1.129 173.510 174.600 0.065 0.000 1.129 244 S CA -0.742 57.531 58.200 0.122 0.000 0.931 244 S CB 0.224 63.520 63.200 0.161 0.000 1.068 244 S HN 0.564 nan 8.310 nan 0.000 0.480 245 L N 0.991 122.132 121.223 -0.136 0.000 3.079 245 L HA 0.740 5.070 4.340 -0.018 0.000 0.278 245 L C -2.162 174.602 176.870 -0.177 0.000 1.026 245 L CA -1.058 53.709 54.840 -0.121 0.000 0.963 245 L CB 1.608 43.590 42.059 -0.128 0.000 1.526 245 L HN 0.411 nan 8.230 nan 0.000 0.397 246 D N 1.334 121.686 120.400 -0.079 0.000 2.505 246 D HA 0.480 5.110 4.640 -0.018 0.000 0.249 246 D C -0.860 175.448 176.300 0.014 0.000 1.082 246 D CA -0.279 53.732 54.000 0.018 0.000 0.839 246 D CB 3.267 44.125 40.800 0.096 0.000 1.317 246 D HN 0.367 nan 8.370 nan 0.000 0.497 247 V N 2.223 122.144 119.914 0.012 0.000 2.334 247 V HA 0.460 4.569 4.120 -0.018 0.000 0.267 247 V C 0.935 177.084 176.094 0.092 0.000 1.040 247 V CA -0.371 61.924 62.300 -0.009 0.000 0.866 247 V CB 1.037 32.837 31.823 -0.039 0.000 1.019 247 V HN 0.593 nan 8.190 nan 0.000 0.468 248 G N 3.175 112.057 108.800 0.136 0.000 2.491 248 G HA2 0.693 4.642 3.960 -0.018 0.000 0.327 248 G HA3 0.693 4.642 3.960 -0.018 0.000 0.327 248 G C -1.501 173.487 174.900 0.147 0.000 1.189 248 G CA -0.470 44.751 45.100 0.201 0.000 0.956 248 G HN 0.480 nan 8.290 nan 0.000 0.491 249 F N 0.081 120.011 119.950 -0.034 0.000 2.573 249 F HA 0.501 5.017 4.527 -0.018 0.000 0.316 249 F C -1.312 174.434 175.800 -0.090 0.000 1.148 249 F CA -0.934 56.996 58.000 -0.117 0.000 0.940 249 F CB 2.496 41.413 39.000 -0.139 0.000 1.214 249 F HN 0.523 nan 8.300 nan 0.000 0.448 250 D N 3.823 123.826 120.400 -0.661 0.000 2.481 250 D HA 0.319 4.948 4.640 -0.018 0.000 0.244 250 D C 0.238 176.179 176.300 -0.600 0.000 1.057 250 D CA -0.576 53.187 54.000 -0.395 0.000 0.848 250 D CB 2.434 43.123 40.800 -0.185 0.000 1.388 250 D HN 0.375 nan 8.370 nan 0.000 0.475 251 V N 4.098 123.855 119.914 -0.262 0.000 2.490 251 V HA -0.130 3.979 4.120 -0.018 0.000 0.250 251 V C 2.113 178.134 176.094 -0.120 0.000 1.061 251 V CA 2.079 64.273 62.300 -0.176 0.000 1.064 251 V CB -0.383 31.381 31.823 -0.099 0.000 0.670 251 V HN 0.625 nan 8.190 nan 0.000 0.461 252 R N -0.449 120.042 120.500 -0.016 0.000 2.052 252 R HA -0.055 4.274 4.340 -0.018 0.000 0.224 252 R C 2.220 178.450 176.300 -0.116 0.000 1.149 252 R CA 1.677 57.752 56.100 -0.043 0.000 0.962 252 R CB -0.207 30.020 30.300 -0.120 0.000 0.856 252 R HN 0.576 nan 8.270 nan 0.000 0.433 253 E N -0.492 119.616 120.200 -0.153 0.000 2.299 253 E HA 0.108 4.448 4.350 -0.018 0.000 0.193 253 E C 0.770 177.168 176.600 -0.336 0.000 0.998 253 E CA 0.391 56.694 56.400 -0.162 0.000 0.851 253 E CB 0.412 30.066 29.700 -0.077 0.000 0.795 253 E HN 0.571 nan 8.360 nan 0.000 0.492 254 G N 0.790 109.173 108.800 -0.695 0.000 2.498 254 G HA2 -0.299 3.650 3.960 -0.018 0.000 0.245 254 G HA3 -0.299 3.650 3.960 -0.018 0.000 0.245 254 G C -0.087 174.197 174.900 -1.026 0.000 1.204 254 G CA -0.350 43.999 45.100 -1.252 0.000 0.933 254 G HN 0.108 nan 8.290 nan 0.000 0.574 255 V N 0.618 120.115 119.914 -0.694 0.000 2.599 255 V HA 0.401 4.510 4.120 -0.018 0.000 0.300 255 V C 0.790 176.804 176.094 -0.133 0.000 1.034 255 V CA 0.291 62.505 62.300 -0.144 0.000 1.115 255 V CB 0.933 32.874 31.823 0.198 0.000 0.934 255 V HN 0.903 nan 8.190 nan 0.000 0.485 256 V N 6.794 126.572 119.914 -0.227 0.000 2.588 256 V HA 0.467 4.576 4.120 -0.018 0.000 0.304 256 V C -0.224 175.538 176.094 -0.554 0.000 1.042 256 V CA -0.632 61.438 62.300 -0.384 0.000 0.877 256 V CB 1.939 33.561 31.823 -0.335 0.000 0.996 256 V HN 0.611 nan 8.190 nan 0.000 0.425 257 L N 5.084 125.859 121.223 -0.746 0.000 2.295 257 L HA 0.629 4.958 4.340 -0.018 0.000 0.285 257 L C -0.430 176.028 176.870 -0.686 0.000 1.035 257 L CA -0.559 53.876 54.840 -0.675 0.000 0.806 257 L CB 1.005 42.599 42.059 -0.775 0.000 1.214 257 L HN 0.613 nan 8.230 nan 0.000 0.426 258 H N 3.572 122.480 119.070 -0.270 0.000 2.569 258 H HA 0.281 4.827 4.556 -0.018 0.000 0.357 258 H C -0.196 174.929 175.328 -0.338 0.000 1.153 258 H CA -0.744 55.119 56.048 -0.307 0.000 1.193 258 H CB 1.871 31.404 29.762 -0.382 0.000 1.602 258 H HN 0.558 nan 8.280 nan 0.000 0.523 259 N N 1.354 119.921 118.700 -0.221 0.000 2.714 259 N HA -0.198 4.532 4.740 -0.018 0.000 0.253 259 N C -0.333 175.121 175.510 -0.095 0.000 1.024 259 N CA 0.489 53.420 53.050 -0.198 0.000 0.726 259 N CB -1.282 37.034 38.487 -0.284 0.000 0.908 259 N HN 0.551 nan 8.380 nan 0.000 0.542 260 I N 0.556 121.075 120.570 -0.085 0.000 2.517 260 I HA 0.259 4.418 4.170 -0.018 0.000 0.285 260 I C 0.980 177.164 176.117 0.112 0.000 1.106 260 I CA 0.224 61.539 61.300 0.025 0.000 1.402 260 I CB 0.561 38.550 38.000 -0.019 0.000 1.399 260 I HN 0.342 nan 8.210 nan 0.000 0.535 261 A N 6.842 129.799 122.820 0.229 0.000 2.587 261 A HA 0.762 5.071 4.320 -0.018 0.000 0.293 261 A C -1.630 176.106 177.584 0.253 0.000 1.087 261 A CA -0.450 51.704 52.037 0.195 0.000 0.692 261 A CB 1.482 20.545 19.000 0.105 0.000 1.291 261 A HN 0.511 nan 8.150 nan 0.000 0.407 262 F N 0.442 120.390 119.950 -0.003 0.000 2.493 262 F HA 0.648 5.165 4.527 -0.018 0.000 0.329 262 F C 0.369 176.183 175.800 0.023 0.000 1.126 262 F CA -0.482 57.447 58.000 -0.118 0.000 0.937 262 F CB 1.806 40.681 39.000 -0.208 0.000 1.146 262 F HN 0.610 nan 8.300 nan 0.000 0.442 263 R N 4.022 124.437 120.500 -0.142 0.000 2.325 263 R HA 0.137 4.466 4.340 -0.018 0.000 0.323 263 R C -1.045 175.332 176.300 0.129 0.000 1.177 263 R CA -0.106 55.988 56.100 -0.010 0.000 1.018 263 R CB -0.224 30.018 30.300 -0.095 0.000 1.070 263 R HN 0.493 nan 8.270 nan 0.000 0.495 264 D N 4.186 124.762 120.400 0.294 0.000 2.479 264 D HA 0.262 4.892 4.640 -0.018 0.000 0.218 264 D C 0.892 177.288 176.300 0.161 0.000 1.131 264 D CA 1.027 55.236 54.000 0.348 0.000 0.916 264 D CB 0.604 41.633 40.800 0.381 0.000 1.022 264 D HN 0.724 nan 8.370 nan 0.000 0.515 265 G N 4.792 113.658 108.800 0.111 0.000 2.557 265 G HA2 -0.382 3.567 3.960 -0.018 0.000 0.292 265 G HA3 -0.382 3.567 3.960 -0.018 0.000 0.292 265 G C 0.935 175.858 174.900 0.038 0.000 1.162 265 G CA 0.415 45.551 45.100 0.059 0.000 0.964 265 G HN 0.498 nan 8.290 nan 0.000 0.541 266 D N 1.814 122.233 120.400 0.032 0.000 2.213 266 D HA 0.079 4.708 4.640 -0.018 0.000 0.205 266 D C 1.739 178.053 176.300 0.024 0.000 0.961 266 D CA 1.136 55.149 54.000 0.021 0.000 0.853 266 D CB -0.052 40.756 40.800 0.014 0.000 0.967 266 D HN 0.749 nan 8.370 nan 0.000 0.496 267 R N 0.762 121.281 120.500 0.032 0.000 2.357 267 R HA 0.415 4.744 4.340 -0.018 0.000 0.296 267 R C -0.430 175.902 176.300 0.053 0.000 1.052 267 R CA -0.767 55.351 56.100 0.031 0.000 0.988 267 R CB 1.119 31.427 30.300 0.012 0.000 1.025 267 R HN -0.104 nan 8.270 nan 0.000 0.469 268 L N 3.393 124.642 121.223 0.044 0.000 2.261 268 L HA 0.308 4.638 4.340 -0.018 0.000 0.289 268 L C -0.547 176.364 176.870 0.068 0.000 1.059 268 L CA -0.328 54.549 54.840 0.062 0.000 0.816 268 L CB 0.638 42.725 42.059 0.047 0.000 1.191 268 L HN 0.609 nan 8.230 nan 0.000 0.431 269 R N 7.208 127.782 120.500 0.123 0.000 2.229 269 R HA 0.431 4.760 4.340 -0.018 0.000 0.332 269 R C -2.327 174.068 176.300 0.159 0.000 0.989 269 R CA -1.770 54.410 56.100 0.133 0.000 0.842 269 R CB 0.728 31.131 30.300 0.171 0.000 1.119 269 R HN 0.500 nan 8.270 nan 0.000 0.456 270 P HA 0.059 nan 4.420 nan 0.000 0.272 270 P C -0.100 177.198 177.300 -0.002 0.000 1.223 270 P CA 0.121 63.214 63.100 -0.011 0.000 0.784 270 P CB 1.221 32.837 31.700 -0.141 0.000 0.923 271 I N 0.751 121.262 120.570 -0.098 0.000 3.878 271 I HA 0.248 4.407 4.170 -0.018 0.000 0.273 271 I C 0.744 176.724 176.117 -0.228 0.000 1.165 271 I CA 0.250 61.396 61.300 -0.257 0.000 1.360 271 I CB 0.378 38.108 38.000 -0.450 0.000 1.539 271 I HN 0.138 nan 8.210 nan 0.000 0.447 272 I N 1.510 121.978 120.570 -0.170 0.000 2.478 272 I HA 0.160 4.319 4.170 -0.018 0.000 0.287 272 I C 0.663 176.696 176.117 -0.141 0.000 1.042 272 I CA -0.231 60.980 61.300 -0.148 0.000 1.067 272 I CB 2.057 39.974 38.000 -0.139 0.000 1.233 272 I HN 0.119 nan 8.210 nan 0.000 0.431 273 N N 5.643 124.276 118.700 -0.111 0.000 2.142 273 N HA -0.012 4.718 4.740 -0.018 0.000 0.186 273 N C 0.565 176.029 175.510 -0.075 0.000 1.023 273 N CA 1.105 54.117 53.050 -0.063 0.000 0.852 273 N CB 0.510 39.069 38.487 0.121 0.000 0.998 273 N HN 0.547 nan 8.380 nan 0.000 0.424 274 R N -0.261 120.172 120.500 -0.112 0.000 2.535 274 R HA 0.487 4.816 4.340 -0.018 0.000 0.274 274 R C -2.107 174.034 176.300 -0.264 0.000 1.090 274 R CA -0.523 55.456 56.100 -0.201 0.000 0.930 274 R CB 1.878 32.122 30.300 -0.094 0.000 1.223 274 R HN 0.063 nan 8.270 nan 0.000 0.441 275 A N 2.193 124.770 122.820 -0.405 0.000 2.374 275 A HA 0.730 5.039 4.320 -0.018 0.000 0.305 275 A C -1.097 176.224 177.584 -0.439 0.000 1.053 275 A CA -0.437 51.356 52.037 -0.406 0.000 0.726 275 A CB 1.613 20.250 19.000 -0.604 0.000 1.229 275 A HN 0.816 nan 8.150 nan 0.000 0.431 276 S N 1.279 116.900 115.700 -0.131 0.000 2.588 276 S HA 0.674 5.133 4.470 -0.018 0.000 0.269 276 S C -1.134 173.566 174.600 0.167 0.000 1.157 276 S CA -0.719 57.488 58.200 0.011 0.000 0.824 276 S CB 0.923 64.069 63.200 -0.090 0.000 1.126 276 S HN 0.557 nan 8.310 nan 0.000 0.464 277 I N 2.266 122.948 120.570 0.187 0.000 2.287 277 I HA 0.390 4.549 4.170 -0.018 0.000 0.290 277 I C 1.346 177.536 176.117 0.123 0.000 1.069 277 I CA -0.515 60.879 61.300 0.158 0.000 1.237 277 I CB 0.233 38.383 38.000 0.251 0.000 1.418 277 I HN 0.990 nan 8.210 nan 0.000 0.481 278 A N 5.144 128.025 122.820 0.103 0.000 2.167 278 A HA 0.094 4.403 4.320 -0.018 0.000 0.214 278 A C 0.734 178.376 177.584 0.096 0.000 1.151 278 A CA 0.911 53.035 52.037 0.144 0.000 0.735 278 A CB 0.064 19.168 19.000 0.173 0.000 0.802 278 A HN 0.667 nan 8.150 nan 0.000 0.467 279 E N -1.582 118.620 120.200 0.003 0.000 2.392 279 E HA 0.527 4.866 4.350 -0.018 0.000 0.281 279 E C -1.091 175.504 176.600 -0.008 0.000 1.088 279 E CA -0.341 56.020 56.400 -0.066 0.000 0.850 279 E CB 0.755 30.240 29.700 -0.359 0.000 1.267 279 E HN 0.466 nan 8.360 nan 0.000 0.438 280 M N 1.846 121.470 119.600 0.040 0.000 2.322 280 M HA 0.717 5.186 4.480 -0.018 0.000 0.285 280 M C -1.764 174.471 176.300 -0.109 0.000 1.119 280 M CA -1.030 54.198 55.300 -0.121 0.000 0.953 280 M CB 2.026 34.451 32.600 -0.291 0.000 1.701 280 M HN 0.286 nan 8.290 nan 0.000 0.479 281 V N 3.356 123.122 119.914 -0.246 0.000 2.735 281 V HA 0.800 4.909 4.120 -0.018 0.000 0.310 281 V C -1.392 174.445 176.094 -0.430 0.000 1.061 281 V CA -0.480 61.543 62.300 -0.461 0.000 0.913 281 V CB 2.404 33.819 31.823 -0.681 0.000 1.005 281 V HN 0.813 nan 8.190 nan 0.000 0.428 282 V N 8.644 128.331 119.914 -0.377 0.000 2.276 282 V HA 0.418 4.527 4.120 -0.018 0.000 0.268 282 V C -2.405 173.411 176.094 -0.464 0.000 1.032 282 V CA -1.288 60.786 62.300 -0.376 0.000 0.810 282 V CB 1.327 33.094 31.823 -0.093 0.000 1.060 282 V HN 0.812 nan 8.190 nan 0.000 0.446 283 P HA 0.357 nan 4.420 nan 0.000 0.284 283 P C -1.321 175.715 177.300 -0.441 0.000 1.253 283 P CA -0.391 62.484 63.100 -0.374 0.000 0.800 283 P CB 1.214 32.730 31.700 -0.306 0.000 0.961 284 Y N 0.392 120.512 120.300 -0.299 0.000 2.361 284 Y HA 0.470 5.010 4.550 -0.018 0.000 0.332 284 Y C 1.720 177.538 175.900 -0.138 0.000 1.101 284 Y CA 0.270 58.242 58.100 -0.212 0.000 1.137 284 Y CB 1.485 39.746 38.460 -0.330 0.000 1.207 284 Y HN 0.483 nan 8.280 nan 0.000 0.463 285 G N 1.211 110.028 108.800 0.029 0.000 3.605 285 G HA2 -0.000 3.949 3.960 -0.018 0.000 0.277 285 G HA3 -0.000 3.949 3.960 -0.018 0.000 0.277 285 G C -0.685 174.239 174.900 0.039 0.000 1.093 285 G CA -0.164 44.961 45.100 0.042 0.000 0.821 285 G HN 0.513 nan 8.290 nan 0.000 0.532 286 D N 1.154 121.562 120.400 0.012 0.000 2.317 286 D HA 0.255 4.885 4.640 -0.018 0.000 0.234 286 D C -1.180 175.084 176.300 -0.060 0.000 1.112 286 D CA -2.421 51.552 54.000 -0.045 0.000 0.840 286 D CB 2.248 43.018 40.800 -0.050 0.000 1.078 286 D HN 0.031 nan 8.370 nan 0.000 0.486 287 P HA -0.027 nan 4.420 nan 0.000 0.242 287 P C 0.318 177.601 177.300 -0.029 0.000 1.197 287 P CA -0.035 63.046 63.100 -0.032 0.000 0.765 287 P CB 0.109 31.802 31.700 -0.011 0.000 0.936 288 S N 2.380 118.055 115.700 -0.042 0.000 2.549 288 S HA 0.117 4.576 4.470 -0.018 0.000 0.283 288 S C -0.932 173.667 174.600 -0.001 0.000 1.320 288 S CA -1.139 57.051 58.200 -0.017 0.000 1.058 288 S CB 0.275 63.450 63.200 -0.042 0.000 0.882 288 S HN 0.011 nan 8.310 nan 0.000 0.498 289 P HA -0.100 nan 4.420 nan 0.000 0.221 289 P C 1.349 178.783 177.300 0.224 0.000 1.145 289 P CA 0.697 63.874 63.100 0.130 0.000 0.795 289 P CB -0.072 31.712 31.700 0.139 0.000 0.775 290 I N -0.279 120.384 120.570 0.155 0.000 2.614 290 I HA -0.090 4.069 4.170 -0.018 0.000 0.258 290 I C 2.060 178.292 176.117 0.192 0.000 1.189 290 I CA 1.268 62.702 61.300 0.223 0.000 1.462 290 I CB -1.008 37.044 38.000 0.086 0.000 1.092 290 I HN 0.046 nan 8.210 nan 0.000 0.442 291 R N -0.750 119.657 120.500 -0.154 0.000 2.539 291 R HA 0.097 4.426 4.340 -0.018 0.000 0.342 291 R C 1.873 177.705 176.300 -0.780 0.000 0.941 291 R CA 0.474 56.188 56.100 -0.645 0.000 1.146 291 R CB 0.306 30.360 30.300 -0.410 0.000 1.541 291 R HN 0.255 nan 8.270 nan 0.000 0.525 292 S N 0.745 116.182 115.700 -0.439 0.000 2.500 292 S HA -0.111 4.348 4.470 -0.018 0.000 0.239 292 S C 1.391 175.752 174.600 -0.397 0.000 0.989 292 S CA 0.417 58.432 58.200 -0.310 0.000 0.951 292 S CB -0.386 62.732 63.200 -0.137 0.000 0.759 292 S HN 0.598 nan 8.310 nan 0.000 0.523 293 W N 0.582 121.671 121.300 -0.351 0.000 3.211 293 W HA 0.378 5.028 4.660 -0.018 0.000 0.292 293 W C 0.500 176.961 176.519 -0.097 0.000 1.268 293 W CA -0.645 56.336 57.345 -0.607 0.000 1.702 293 W CB -0.638 28.390 29.460 -0.720 0.000 1.092 293 W HN 0.270 nan 8.180 nan 0.000 0.643 294 Q N 2.993 122.282 119.800 -0.852 0.000 2.263 294 Q HA 0.084 4.414 4.340 -0.018 0.000 0.270 294 Q C -0.736 175.024 176.000 -0.399 0.000 1.104 294 Q CA 0.771 56.092 55.803 -0.804 0.000 0.909 294 Q CB 0.014 28.002 28.738 -1.251 0.000 1.214 294 Q HN 0.071 nan 8.270 nan 0.000 0.400 295 N N 4.417 122.932 118.700 -0.309 0.000 2.537 295 N HA 0.182 4.911 4.740 -0.018 0.000 0.281 295 N C -1.860 173.507 175.510 -0.237 0.000 1.097 295 N CA -0.449 52.398 53.050 -0.338 0.000 0.964 295 N CB 1.232 39.654 38.487 -0.108 0.000 1.588 295 N HN 0.339 nan 8.380 nan 0.000 0.511 296 Y N 0.173 120.478 120.300 0.009 0.000 2.429 296 Y HA 0.586 5.126 4.550 -0.018 0.000 0.342 296 Y C -0.315 175.536 175.900 -0.081 0.000 1.004 296 Y CA -1.066 57.103 58.100 0.115 0.000 1.075 296 Y CB 1.078 39.773 38.460 0.391 0.000 1.214 296 Y HN 0.326 nan 8.280 nan 0.000 0.455 297 F N 2.476 122.526 119.950 0.165 0.000 2.300 297 F HA 0.295 4.811 4.527 -0.018 0.000 0.364 297 F C 0.943 176.817 175.800 0.124 0.000 1.090 297 F CA -0.786 57.269 58.000 0.093 0.000 1.200 297 F CB 0.455 39.466 39.000 0.019 0.000 1.493 297 F HN 0.657 nan 8.300 nan 0.000 0.518 298 D N 0.622 121.249 120.400 0.378 0.000 2.158 298 D HA -0.158 4.471 4.640 -0.018 0.000 0.197 298 D C 1.803 178.335 176.300 0.387 0.000 0.995 298 D CA 1.829 56.141 54.000 0.521 0.000 0.846 298 D CB 0.206 41.263 40.800 0.429 0.000 0.941 298 D HN 0.404 nan 8.370 nan 0.000 0.456 299 T N -0.044 114.657 114.554 0.245 0.000 2.735 299 T HA -0.023 4.317 4.350 -0.018 0.000 0.256 299 T C 2.026 176.754 174.700 0.048 0.000 1.042 299 T CA 1.301 63.485 62.100 0.140 0.000 1.147 299 T CB -0.552 68.368 68.868 0.086 0.000 0.865 299 T HN 0.215 nan 8.240 nan 0.000 0.421 300 G N 0.932 109.748 108.800 0.025 0.000 2.402 300 G HA2 -0.128 3.822 3.960 -0.018 0.000 0.216 300 G HA3 -0.128 3.822 3.960 -0.018 0.000 0.216 300 G C 1.471 176.322 174.900 -0.083 0.000 1.162 300 G CA 0.581 45.610 45.100 -0.118 0.000 0.777 300 G HN 0.492 nan 8.290 nan 0.000 0.539 301 E N -1.025 119.163 120.200 -0.021 0.000 2.127 301 E HA 0.082 4.421 4.350 -0.018 0.000 0.191 301 E C 1.976 178.549 176.600 -0.045 0.000 0.964 301 E CA 0.392 56.723 56.400 -0.115 0.000 0.832 301 E CB 0.014 29.559 29.700 -0.258 0.000 0.790 301 E HN 0.639 nan 8.360 nan 0.000 0.465 302 Y N 0.029 120.496 120.300 0.278 0.000 2.503 302 Y HA 0.238 4.777 4.550 -0.018 0.000 0.277 302 Y C 0.129 176.247 175.900 0.363 0.000 1.102 302 Y CA -0.190 58.144 58.100 0.390 0.000 1.261 302 Y CB 0.616 39.340 38.460 0.441 0.000 1.096 302 Y HN -0.161 nan 8.280 nan 0.000 0.546 303 L N 0.907 122.345 121.223 0.358 0.000 2.939 303 L HA -0.203 4.126 4.340 -0.018 0.000 0.705 303 L C 1.108 178.117 176.870 0.231 0.000 1.098 303 L CA -0.130 54.829 54.840 0.198 0.000 1.347 303 L CB -1.700 40.436 42.059 0.129 0.000 1.956 303 L HN 0.201 nan 8.230 nan 0.000 0.922 304 V N -0.690 119.377 119.914 0.255 0.000 2.380 304 V HA -0.177 3.932 4.120 -0.018 0.000 0.251 304 V C 2.232 178.485 176.094 0.265 0.000 1.063 304 V CA 2.357 64.855 62.300 0.330 0.000 1.055 304 V CB -0.690 31.309 31.823 0.294 0.000 0.657 304 V HN 0.822 nan 8.190 nan 0.000 0.455 305 G N 1.111 109.930 108.800 0.030 0.000 2.422 305 G HA2 -0.305 3.644 3.960 -0.018 0.000 0.218 305 G HA3 -0.305 3.644 3.960 -0.018 0.000 0.218 305 G C 1.574 176.577 174.900 0.171 0.000 1.146 305 G CA 0.997 46.071 45.100 -0.044 0.000 0.769 305 G HN 0.834 nan 8.290 nan 0.000 0.547 306 Q N -0.987 118.789 119.800 -0.041 0.000 2.291 306 Q HA -0.058 4.272 4.340 -0.018 0.000 0.205 306 Q C 1.185 177.022 176.000 -0.271 0.000 0.970 306 Q CA 0.996 56.680 55.803 -0.200 0.000 0.876 306 Q CB -0.312 28.184 28.738 -0.405 0.000 0.935 306 Q HN 0.529 nan 8.270 nan 0.000 0.455 307 Y N 0.742 121.192 120.300 0.250 0.000 2.571 307 Y HA 0.485 5.025 4.550 -0.018 0.000 0.275 307 Y C 0.610 176.676 175.900 0.277 0.000 1.179 307 Y CA -0.873 57.366 58.100 0.231 0.000 1.242 307 Y CB -0.085 38.497 38.460 0.204 0.000 1.126 307 Y HN 0.163 nan 8.280 nan 0.000 0.524 308 A N 0.985 124.049 122.820 0.407 0.000 2.546 308 A HA 0.067 4.376 4.320 -0.018 0.000 0.243 308 A C 0.326 178.099 177.584 0.314 0.000 1.063 308 A CA -0.221 52.089 52.037 0.456 0.000 0.757 308 A CB -0.305 18.968 19.000 0.455 0.000 0.991 308 A HN 0.604 nan 8.150 nan 0.000 0.503 309 N N 0.894 119.786 118.700 0.319 0.000 2.467 309 N HA 0.302 5.031 4.740 -0.018 0.000 0.262 309 N C -0.367 175.235 175.510 0.153 0.000 1.234 309 N CA -0.331 52.846 53.050 0.211 0.000 0.952 309 N CB 0.641 39.240 38.487 0.187 0.000 1.158 309 N HN 0.545 nan 8.380 nan 0.000 0.463 310 S N 1.202 116.953 115.700 0.085 0.000 2.465 310 S HA 0.222 4.681 4.470 -0.018 0.000 0.279 310 S C 0.011 174.628 174.600 0.029 0.000 1.201 310 S CA -0.623 57.592 58.200 0.025 0.000 1.053 310 S CB 0.051 63.242 63.200 -0.014 0.000 0.953 310 S HN 0.266 nan 8.310 nan 0.000 0.488 311 L N 3.708 124.958 121.223 0.045 0.000 2.290 311 L HA 0.344 4.674 4.340 -0.018 0.000 0.284 311 L C 0.386 177.276 176.870 0.034 0.000 1.078 311 L CA -0.642 54.256 54.840 0.097 0.000 0.815 311 L CB 0.418 42.634 42.059 0.261 0.000 1.162 311 L HN 0.429 nan 8.230 nan 0.000 0.435 312 E N 3.070 123.296 120.200 0.042 0.000 2.259 312 E HA 0.245 4.584 4.350 -0.018 0.000 0.281 312 E C -0.471 176.189 176.600 0.099 0.000 1.027 312 E CA -0.898 55.520 56.400 0.030 0.000 0.838 312 E CB 1.830 31.535 29.700 0.009 0.000 1.066 312 E HN 0.240 nan 8.360 nan 0.000 0.401 313 L N 1.983 123.278 121.223 0.122 0.000 2.455 313 L HA 0.278 4.607 4.340 -0.018 0.000 0.272 313 L C 1.381 178.297 176.870 0.076 0.000 1.174 313 L CA 1.738 56.674 54.840 0.160 0.000 0.869 313 L CB 0.262 42.429 42.059 0.179 0.000 1.130 313 L HN 0.794 nan 8.230 nan 0.000 0.474 314 G N 2.094 110.926 108.800 0.054 0.000 2.317 314 G HA2 -0.326 3.623 3.960 -0.018 0.000 0.227 314 G HA3 -0.326 3.623 3.960 -0.018 0.000 0.227 314 G C 0.928 175.840 174.900 0.021 0.000 1.042 314 G CA 0.324 45.442 45.100 0.030 0.000 0.623 314 G HN 0.740 nan 8.290 nan 0.000 0.509 315 C N -0.009 119.305 119.300 0.023 0.000 2.480 315 C HA 0.318 4.767 4.460 -0.018 0.000 0.304 315 C C 2.251 177.244 174.990 0.004 0.000 1.399 315 C CA 1.342 60.364 59.018 0.006 0.000 1.900 315 C CB -0.508 27.229 27.740 -0.004 0.000 2.194 315 C HN 0.544 nan 8.230 nan 0.000 0.550 316 D N -0.123 120.290 120.400 0.022 0.000 2.201 316 D HA 0.041 4.670 4.640 -0.018 0.000 0.209 316 D C 0.168 176.508 176.300 0.067 0.000 0.961 316 D CA 1.100 55.121 54.000 0.036 0.000 0.861 316 D CB 0.149 40.982 40.800 0.054 0.000 0.997 316 D HN 0.396 nan 8.370 nan 0.000 0.486 317 c N 1.863 120.487 118.600 0.040 0.000 2.407 317 c HA 0.448 5.007 4.570 -0.018 0.000 0.328 317 c C -0.331 173.699 174.090 -0.101 0.000 1.137 317 c CA -1.133 55.150 56.329 -0.077 0.000 1.390 317 c CB 0.662 43.076 42.510 -0.161 0.000 1.989 317 c HN 0.161 nan 8.230 nan 0.000 0.432 318 L N 4.229 125.395 121.223 -0.095 0.000 2.312 318 L HA 0.924 5.254 4.340 -0.018 0.000 0.281 318 L C 0.565 177.396 176.870 -0.065 0.000 1.070 318 L CA 1.843 56.656 54.840 -0.045 0.000 0.805 318 L CB 0.694 42.756 42.059 0.005 0.000 1.174 318 L HN 1.080 nan 8.230 nan 0.000 0.434 319 G N 3.533 112.320 108.800 -0.021 0.000 2.384 319 G HA2 -0.135 3.814 3.960 -0.018 0.000 0.204 319 G HA3 -0.135 3.814 3.960 -0.018 0.000 0.204 319 G C -1.135 173.769 174.900 0.008 0.000 1.237 319 G CA -0.257 44.851 45.100 0.014 0.000 1.060 319 G HN 0.727 nan 8.290 nan 0.000 0.514 320 D N 1.414 121.844 120.400 0.050 0.000 2.441 320 D HA 0.427 5.056 4.640 -0.018 0.000 0.221 320 D C 0.331 176.668 176.300 0.063 0.000 1.156 320 D CA -0.200 53.829 54.000 0.049 0.000 0.896 320 D CB 0.049 40.882 40.800 0.056 0.000 1.028 320 D HN 0.381 nan 8.370 nan 0.000 0.509 321 I N 2.365 122.916 120.570 -0.031 0.000 2.437 321 I HA 0.236 4.395 4.170 -0.018 0.000 0.298 321 I C 0.657 176.706 176.117 -0.113 0.000 0.984 321 I CA -0.521 60.690 61.300 -0.150 0.000 1.214 321 I CB 1.550 39.260 38.000 -0.483 0.000 1.365 321 I HN 0.107 nan 8.210 nan 0.000 0.469 322 T N 6.053 120.591 114.554 -0.027 0.000 2.791 322 T HA 0.500 4.839 4.350 -0.018 0.000 0.288 322 T C -0.556 174.119 174.700 -0.042 0.000 0.999 322 T CA -0.295 61.852 62.100 0.078 0.000 0.952 322 T CB 0.436 69.499 68.868 0.324 0.000 0.938 322 T HN 0.165 nan 8.240 nan 0.000 0.444 323 Y N 2.090 122.445 120.300 0.091 0.000 2.376 323 Y HA 0.629 5.168 4.550 -0.018 0.000 0.325 323 Y C 0.301 176.222 175.900 0.035 0.000 1.199 323 Y CA -1.166 56.966 58.100 0.053 0.000 1.206 323 Y CB 0.968 39.447 38.460 0.032 0.000 1.229 323 Y HN 0.373 nan 8.280 nan 0.000 0.480 324 L N 1.365 122.705 121.223 0.196 0.000 2.346 324 L HA 0.520 4.849 4.340 -0.018 0.000 0.274 324 L C -0.573 176.309 176.870 0.020 0.000 1.007 324 L CA -0.659 54.229 54.840 0.079 0.000 0.818 324 L CB 1.955 44.032 42.059 0.029 0.000 1.284 324 L HN 0.534 nan 8.230 nan 0.000 0.424 325 S N 3.116 118.799 115.700 -0.028 0.000 2.406 325 S HA 0.327 4.786 4.470 -0.018 0.000 0.224 325 S C -2.373 172.150 174.600 -0.128 0.000 1.426 325 S CA -1.035 57.112 58.200 -0.087 0.000 1.179 325 S CB 0.762 63.928 63.200 -0.055 0.000 1.042 325 S HN 0.379 nan 8.310 nan 0.000 0.479 326 P HA 0.197 nan 4.420 nan 0.000 0.271 326 P C -0.679 176.532 177.300 -0.149 0.000 1.218 326 P CA -0.261 62.688 63.100 -0.251 0.000 0.780 326 P CB 0.745 32.054 31.700 -0.652 0.000 0.901 327 V N 4.184 124.076 119.914 -0.038 0.000 2.435 327 V HA 0.455 4.564 4.120 -0.018 0.000 0.290 327 V C 0.722 176.842 176.094 0.043 0.000 1.030 327 V CA -0.506 61.793 62.300 -0.002 0.000 0.881 327 V CB 1.098 32.929 31.823 0.013 0.000 0.983 327 V HN 0.500 nan 8.190 nan 0.000 0.445 328 I N 0.992 121.581 120.570 0.030 0.000 3.206 328 I HA 0.798 4.957 4.170 -0.018 0.000 0.313 328 I C -0.154 175.960 176.117 -0.004 0.000 1.103 328 I CA -0.668 60.650 61.300 0.031 0.000 0.985 328 I CB 2.294 40.322 38.000 0.046 0.000 1.240 328 I HN 0.501 nan 8.210 nan 0.000 0.464 329 S N 0.956 116.635 115.700 -0.035 0.000 2.585 329 S HA 0.374 4.834 4.470 -0.018 0.000 0.277 329 S C -0.546 174.031 174.600 -0.038 0.000 1.241 329 S CA -0.530 57.645 58.200 -0.041 0.000 1.041 329 S CB 0.704 63.861 63.200 -0.072 0.000 0.987 329 S HN 0.815 nan 8.310 nan 0.000 0.512 330 D N 2.389 122.781 120.400 -0.015 0.000 2.478 330 D HA 0.416 5.045 4.640 -0.018 0.000 0.274 330 D C 1.217 177.453 176.300 -0.106 0.000 1.234 330 D CA -0.120 53.865 54.000 -0.024 0.000 1.069 330 D CB -0.060 40.769 40.800 0.048 0.000 1.113 330 D HN 0.476 nan 8.370 nan 0.000 0.571 331 A N -1.184 121.485 122.820 -0.252 0.000 2.125 331 A HA -0.029 4.280 4.320 -0.018 0.000 0.219 331 A C 1.447 178.689 177.584 -0.570 0.000 1.156 331 A CA 0.789 52.550 52.037 -0.460 0.000 0.671 331 A CB -0.907 17.696 19.000 -0.662 0.000 0.794 331 A HN 0.452 nan 8.150 nan 0.000 0.459 332 F N -1.572 118.388 119.950 0.017 0.000 2.678 332 F HA 0.406 4.922 4.527 -0.018 0.000 0.305 332 F C 1.758 177.554 175.800 -0.007 0.000 1.090 332 F CA 0.160 58.165 58.000 0.009 0.000 1.272 332 F CB 0.136 39.141 39.000 0.008 0.000 1.060 332 F HN 0.297 nan 8.300 nan 0.000 0.576 333 G N 0.541 109.391 108.800 0.083 0.000 2.175 333 G HA2 -0.290 3.659 3.960 -0.018 0.000 0.244 333 G HA3 -0.290 3.659 3.960 -0.018 0.000 0.244 333 G C 0.008 174.924 174.900 0.027 0.000 0.982 333 G CA -0.253 44.865 45.100 0.031 0.000 0.641 333 G HN 0.430 nan 8.290 nan 0.000 0.527 334 N N 2.429 121.172 118.700 0.072 0.000 2.529 334 N HA 0.510 5.239 4.740 -0.018 0.000 0.278 334 N C -2.281 173.241 175.510 0.021 0.000 1.146 334 N CA -1.100 51.978 53.050 0.047 0.000 0.980 334 N CB 1.490 40.024 38.487 0.078 0.000 1.124 334 N HN 0.150 nan 8.380 nan 0.000 0.458 335 P HA 0.098 nan 4.420 nan 0.000 0.275 335 P C -0.998 176.307 177.300 0.009 0.000 1.227 335 P CA -0.067 63.031 63.100 -0.003 0.000 0.781 335 P CB 1.011 32.703 31.700 -0.013 0.000 0.906 336 R N 2.030 122.534 120.500 0.007 0.000 2.574 336 R HA 0.270 4.599 4.340 -0.018 0.000 0.288 336 R C -0.822 175.477 176.300 -0.002 0.000 1.004 336 R CA -0.547 55.559 56.100 0.010 0.000 0.895 336 R CB 1.923 32.234 30.300 0.019 0.000 1.191 336 R HN 0.592 nan 8.270 nan 0.000 0.444 337 E N 4.958 125.153 120.200 -0.009 0.000 2.191 337 E HA 0.272 4.611 4.350 -0.018 0.000 0.278 337 E C -0.603 175.974 176.600 -0.039 0.000 0.972 337 E CA -0.546 55.836 56.400 -0.029 0.000 0.804 337 E CB 1.088 30.772 29.700 -0.027 0.000 1.110 337 E HN 0.521 nan 8.360 nan 0.000 0.394 338 I N 4.929 125.451 120.570 -0.079 0.000 2.276 338 I HA 0.217 4.376 4.170 -0.018 0.000 0.290 338 I C 0.298 176.357 176.117 -0.097 0.000 1.109 338 I CA -0.566 60.684 61.300 -0.083 0.000 1.229 338 I CB 0.422 38.336 38.000 -0.142 0.000 1.452 338 I HN 0.395 nan 8.210 nan 0.000 0.497 339 R N 6.259 126.717 120.500 -0.070 0.000 2.484 339 R HA 0.018 4.348 4.340 -0.018 0.000 0.293 339 R C 0.439 176.663 176.300 -0.126 0.000 1.023 339 R CA 0.388 56.434 56.100 -0.090 0.000 1.037 339 R CB 0.075 30.328 30.300 -0.079 0.000 0.951 339 R HN 0.579 nan 8.270 nan 0.000 0.418 340 N N 2.447 121.048 118.700 -0.165 0.000 2.727 340 N HA -0.176 4.554 4.740 -0.018 0.000 0.249 340 N C 0.477 175.972 175.510 -0.025 0.000 1.048 340 N CA 1.253 54.149 53.050 -0.256 0.000 0.714 340 N CB -1.277 36.786 38.487 -0.705 0.000 0.959 340 N HN 0.871 nan 8.380 nan 0.000 0.544 341 G N -1.077 107.716 108.800 -0.012 0.000 2.623 341 G HA2 0.245 4.194 3.960 -0.018 0.000 0.214 341 G HA3 0.245 4.194 3.960 -0.018 0.000 0.214 341 G C 0.519 175.486 174.900 0.112 0.000 1.138 341 G CA 0.225 45.333 45.100 0.013 0.000 0.794 341 G HN 0.441 nan 8.290 nan 0.000 0.535 342 I N 0.336 120.988 120.570 0.136 0.000 2.466 342 I HA 0.305 4.464 4.170 -0.018 0.000 0.289 342 I C -0.790 175.447 176.117 0.199 0.000 1.026 342 I CA -0.910 60.490 61.300 0.167 0.000 1.078 342 I CB 2.515 40.552 38.000 0.062 0.000 1.249 342 I HN -0.191 nan 8.210 nan 0.000 0.429 343 c N 6.924 125.602 118.600 0.130 0.000 2.341 343 c HA 0.672 5.231 4.570 -0.018 0.000 0.338 343 c C 0.070 174.162 174.090 0.003 0.000 1.257 343 c CA -0.482 55.824 56.329 -0.039 0.000 1.883 343 c CB 0.542 43.043 42.510 -0.015 0.000 2.334 343 c HN 0.654 nan 8.230 nan 0.000 0.524 344 M N 5.751 125.319 119.600 -0.053 0.000 2.263 344 M HA 0.511 4.980 4.480 -0.018 0.000 0.295 344 M C -0.694 175.606 176.300 -0.001 0.000 1.028 344 M CA -0.127 55.094 55.300 -0.132 0.000 0.921 344 M CB 1.850 34.287 32.600 -0.271 0.000 1.601 344 M HN 0.949 nan 8.290 nan 0.000 0.440 345 H N 0.810 119.668 119.070 -0.353 0.000 2.950 345 H HA 0.446 4.992 4.556 -0.018 0.000 0.307 345 H C -2.066 173.142 175.328 -0.200 0.000 1.403 345 H CA -1.151 54.855 56.048 -0.070 0.000 1.145 345 H CB 0.816 30.587 29.762 0.015 0.000 1.844 345 H HN 0.722 nan 8.280 nan 0.000 0.515 346 E N 0.952 121.145 120.200 -0.012 0.000 2.195 346 E HA 0.525 4.865 4.350 -0.018 0.000 0.271 346 E C -0.927 175.671 176.600 -0.003 0.000 0.923 346 E CA -0.977 55.322 56.400 -0.169 0.000 0.790 346 E CB 2.600 32.372 29.700 0.120 0.000 1.155 346 E HN 0.690 nan 8.360 nan 0.000 0.402 347 E N 1.917 122.090 120.200 -0.045 0.000 2.317 347 E HA 0.263 4.602 4.350 -0.018 0.000 0.270 347 E C -1.276 175.442 176.600 0.197 0.000 0.885 347 E CA -1.073 55.388 56.400 0.102 0.000 0.760 347 E CB 1.596 31.357 29.700 0.102 0.000 1.227 347 E HN 0.538 nan 8.360 nan 0.000 0.434 348 D N 1.653 122.184 120.400 0.218 0.000 2.472 348 D HA -0.104 4.526 4.640 -0.018 0.000 0.237 348 D C -0.951 175.564 176.300 0.359 0.000 1.141 348 D CA 0.235 54.375 54.000 0.234 0.000 0.875 348 D CB 0.524 41.409 40.800 0.142 0.000 1.192 348 D HN 0.547 nan 8.370 nan 0.000 0.450 349 W N 5.739 127.082 121.300 0.073 0.000 1.340 349 W HA 0.372 5.021 4.660 -0.019 0.000 0.301 349 W C 0.296 176.848 176.519 0.055 0.000 0.834 349 W CA 0.062 57.450 57.345 0.071 0.000 2.473 349 W CB 0.118 29.669 29.460 0.151 0.000 1.837 349 W HN 0.856 nan 8.180 nan 0.000 0.528 350 G N 1.960 110.683 108.800 -0.128 0.000 2.564 350 G HA2 -0.332 3.617 3.960 -0.018 0.000 0.273 350 G HA3 -0.332 3.617 3.960 -0.018 0.000 0.273 350 G C -0.408 174.466 174.900 -0.044 0.000 1.242 350 G CA -0.040 44.966 45.100 -0.157 0.000 0.951 350 G HN 0.084 nan 8.290 nan 0.000 0.564 351 I N 1.354 121.890 120.570 -0.058 0.000 2.441 351 I HA 0.258 4.417 4.170 -0.018 0.000 0.287 351 I C 1.545 177.682 176.117 0.033 0.000 1.049 351 I CA -0.164 61.129 61.300 -0.012 0.000 1.381 351 I CB 0.847 38.832 38.000 -0.024 0.000 1.409 351 I HN 0.649 nan 8.210 nan 0.000 0.523 352 L N 6.486 127.744 121.223 0.060 0.000 2.200 352 L HA 0.479 4.808 4.340 -0.018 0.000 0.200 352 L C 0.635 177.556 176.870 0.084 0.000 1.072 352 L CA 1.084 55.980 54.840 0.094 0.000 0.787 352 L CB 0.079 42.204 42.059 0.109 0.000 0.957 352 L HN 0.690 nan 8.230 nan 0.000 0.459 353 A N -0.489 122.384 122.820 0.089 0.000 2.574 353 A HA 0.674 4.984 4.320 -0.018 0.000 0.297 353 A C -1.122 176.561 177.584 0.164 0.000 1.062 353 A CA -0.593 51.529 52.037 0.141 0.000 0.686 353 A CB 1.165 20.300 19.000 0.224 0.000 1.285 353 A HN 0.080 nan 8.150 nan 0.000 0.403 354 K N 0.854 121.369 120.400 0.191 0.000 2.557 354 K HA 0.565 4.875 4.320 -0.018 0.000 0.257 354 K C -2.208 174.541 176.600 0.248 0.000 0.933 354 K CA -0.498 55.909 56.287 0.200 0.000 0.820 354 K CB 1.723 34.273 32.500 0.084 0.000 1.330 354 K HN 1.068 nan 8.250 nan 0.000 0.432 355 H N 0.337 119.491 119.070 0.140 0.000 3.099 355 H HA 0.378 4.923 4.556 -0.018 0.000 0.342 355 H C -1.912 173.447 175.328 0.052 0.000 1.054 355 H CA -0.352 55.730 56.048 0.057 0.000 1.328 355 H CB 1.870 31.638 29.762 0.010 0.000 1.876 355 H HN 0.415 nan 8.280 nan 0.000 0.495 356 S N 4.117 119.478 115.700 -0.566 0.000 2.520 356 S HA 0.165 4.625 4.470 -0.018 0.000 0.324 356 S C -0.790 173.376 174.600 -0.723 0.000 1.069 356 S CA -0.674 57.271 58.200 -0.426 0.000 1.121 356 S CB 0.500 63.564 63.200 -0.226 0.000 0.971 356 S HN 0.657 nan 8.310 nan 0.000 0.463 357 D N 2.196 122.268 120.400 -0.547 0.000 2.280 357 D HA 0.289 4.918 4.640 -0.018 0.000 0.243 357 D C 0.980 177.181 176.300 -0.165 0.000 1.129 357 D CA -0.584 53.217 54.000 -0.331 0.000 0.848 357 D CB 0.854 41.664 40.800 0.017 0.000 1.107 357 D HN 0.267 nan 8.370 nan 0.000 0.471 358 L N 5.663 126.754 121.223 -0.219 0.000 1.976 358 L HA -0.041 4.288 4.340 -0.018 0.000 0.209 358 L C 1.497 178.386 176.870 0.032 0.000 1.071 358 L CA 1.601 56.353 54.840 -0.146 0.000 0.746 358 L CB -0.564 41.338 42.059 -0.261 0.000 0.890 358 L HN 0.599 nan 8.230 nan 0.000 0.432 359 W N 0.154 121.462 121.300 0.013 0.000 2.321 359 W HA -0.199 4.457 4.660 -0.006 0.000 0.306 359 W C 2.996 179.521 176.519 0.011 0.000 1.217 359 W CA 1.833 59.187 57.345 0.014 0.000 1.257 359 W CB -1.883 27.589 29.460 0.021 0.000 1.145 359 W HN 0.576 nan 8.180 nan 0.000 0.509 360 S N -1.279 114.557 115.700 0.226 0.000 2.503 360 S HA 0.314 4.774 4.470 -0.018 0.000 0.217 360 S C 1.783 176.433 174.600 0.083 0.000 0.999 360 S CA 0.848 59.130 58.200 0.136 0.000 0.914 360 S CB 0.001 63.271 63.200 0.117 0.000 0.782 360 S HN 0.460 nan 8.310 nan 0.000 0.520 361 G N 1.187 110.023 108.800 0.060 0.000 2.184 361 G HA2 -0.242 3.707 3.960 -0.018 0.000 0.264 361 G HA3 -0.242 3.707 3.960 -0.018 0.000 0.264 361 G C 0.013 174.924 174.900 0.018 0.000 0.975 361 G CA 0.362 45.479 45.100 0.029 0.000 0.642 361 G HN 0.603 nan 8.290 nan 0.000 0.536 362 I N 1.339 121.925 120.570 0.026 0.000 2.342 362 I HA 0.285 4.445 4.170 -0.018 0.000 0.291 362 I C -0.410 175.719 176.117 0.019 0.000 1.010 362 I CA -0.778 60.545 61.300 0.038 0.000 1.308 362 I CB 1.001 39.038 38.000 0.061 0.000 1.400 362 I HN -0.035 nan 8.210 nan 0.000 0.488 363 N N 6.389 125.111 118.700 0.037 0.000 2.417 363 N HA 0.318 5.047 4.740 -0.018 0.000 0.274 363 N C -1.340 174.248 175.510 0.130 0.000 0.987 363 N CA -0.443 52.626 53.050 0.031 0.000 0.912 363 N CB 1.833 40.318 38.487 -0.003 0.000 1.177 363 N HN 0.461 nan 8.380 nan 0.000 0.490 364 Y N 0.978 121.271 120.300 -0.012 0.000 2.361 364 Y HA 0.477 5.018 4.550 -0.015 0.000 0.337 364 Y C -1.023 174.887 175.900 0.016 0.000 0.965 364 Y CA -0.331 57.777 58.100 0.015 0.000 1.091 364 Y CB 1.604 40.090 38.460 0.044 0.000 1.182 364 Y HN 0.335 nan 8.280 nan 0.000 0.450 365 T N 6.892 121.273 114.554 -0.288 0.000 2.971 365 T HA 0.581 4.920 4.350 -0.018 0.000 0.304 365 T C -1.259 173.218 174.700 -0.373 0.000 1.038 365 T CA -0.989 60.974 62.100 -0.228 0.000 1.007 365 T CB 1.142 69.948 68.868 -0.103 0.000 1.055 365 T HN 0.408 nan 8.240 nan 0.000 0.451 366 R N 1.867 122.209 120.500 -0.263 0.000 2.686 366 R HA 0.537 4.866 4.340 -0.018 0.000 0.283 366 R C -0.412 175.855 176.300 -0.056 0.000 0.978 366 R CA -0.849 55.136 56.100 -0.193 0.000 0.897 366 R CB 2.223 32.409 30.300 -0.189 0.000 1.192 366 R HN 0.549 nan 8.270 nan 0.000 0.457 367 R N 1.121 121.609 120.500 -0.021 0.000 2.500 367 R HA 0.329 4.658 4.340 -0.018 0.000 0.277 367 R C 0.206 176.565 176.300 0.098 0.000 1.026 367 R CA -0.804 55.316 56.100 0.034 0.000 1.058 367 R CB 0.943 31.264 30.300 0.035 0.000 1.078 367 R HN 0.379 nan 8.270 nan 0.000 0.509 368 N N 0.949 119.744 118.700 0.158 0.000 2.482 368 N HA 0.391 5.120 4.740 -0.018 0.000 0.279 368 N C -0.910 174.807 175.510 0.345 0.000 1.182 368 N CA -0.317 52.898 53.050 0.274 0.000 0.969 368 N CB 1.142 39.844 38.487 0.358 0.000 1.201 368 N HN 0.418 nan 8.380 nan 0.000 0.523 369 R N -0.215 120.544 120.500 0.431 0.000 2.710 369 R HA 0.489 4.818 4.340 -0.018 0.000 0.270 369 R C -0.972 175.587 176.300 0.432 0.000 1.021 369 R CA -0.841 55.527 56.100 0.446 0.000 0.889 369 R CB 2.340 32.943 30.300 0.507 0.000 1.243 369 R HN 0.697 nan 8.270 nan 0.000 0.464 370 R N 1.010 121.564 120.500 0.091 0.000 2.604 370 R HA 0.499 4.828 4.340 -0.018 0.000 0.281 370 R C -1.212 174.619 176.300 -0.782 0.000 1.020 370 R CA -1.005 54.830 56.100 -0.441 0.000 0.899 370 R CB 1.657 31.298 30.300 -1.100 0.000 1.205 370 R HN 0.395 nan 8.270 nan 0.000 0.450 371 M N 2.915 121.716 119.600 -1.331 0.000 2.216 371 M HA 0.320 4.790 4.480 -0.018 0.000 0.356 371 M C -1.437 174.365 176.300 -0.830 0.000 1.205 371 M CA -0.445 54.011 55.300 -1.406 0.000 1.122 371 M CB 1.572 33.155 32.600 -1.696 0.000 1.571 371 M HN 0.537 nan 8.290 nan 0.000 0.464 372 V N 6.844 126.319 119.914 -0.732 0.000 2.540 372 V HA 0.583 4.692 4.120 -0.018 0.000 0.302 372 V C -0.857 175.012 176.094 -0.376 0.000 1.035 372 V CA -0.599 61.420 62.300 -0.468 0.000 0.873 372 V CB 1.789 33.299 31.823 -0.522 0.000 0.992 372 V HN 0.769 nan 8.190 nan 0.000 0.428 373 I N 4.447 124.890 120.570 -0.213 0.000 2.439 373 I HA 0.640 4.799 4.170 -0.018 0.000 0.285 373 I C -0.011 176.119 176.117 0.022 0.000 1.021 373 I CA 0.249 61.494 61.300 -0.093 0.000 1.091 373 I CB 2.046 39.993 38.000 -0.088 0.000 1.242 373 I HN 0.761 nan 8.210 nan 0.000 0.439 374 S N 5.393 121.116 115.700 0.038 0.000 2.618 374 S HA 0.923 5.383 4.470 -0.018 0.000 0.277 374 S C -0.904 173.787 174.600 0.151 0.000 1.138 374 S CA -0.759 57.401 58.200 -0.067 0.000 0.844 374 S CB 2.414 65.300 63.200 -0.524 0.000 1.127 374 S HN 0.515 nan 8.310 nan 0.000 0.474 375 F N -1.070 118.834 119.950 -0.077 0.000 2.654 375 F HA 0.869 5.385 4.527 -0.018 0.000 0.308 375 F C -2.279 173.608 175.800 0.145 0.000 1.108 375 F CA -1.565 56.498 58.000 0.104 0.000 0.957 375 F CB 0.921 40.041 39.000 0.200 0.000 1.309 375 F HN 0.610 nan 8.300 nan 0.000 0.446 376 F N 1.406 121.378 119.950 0.036 0.000 2.540 376 F HA 0.696 5.212 4.527 -0.018 0.000 0.317 376 F C -0.071 175.850 175.800 0.202 0.000 1.104 376 F CA -0.390 57.616 58.000 0.010 0.000 0.913 376 F CB 2.273 41.305 39.000 0.054 0.000 1.170 376 F HN 0.878 nan 8.300 nan 0.000 0.450 377 T N 2.079 116.870 114.554 0.395 0.000 2.930 377 T HA 0.703 5.042 4.350 -0.018 0.000 0.290 377 T C -1.157 173.788 174.700 0.408 0.000 1.052 377 T CA -0.313 62.075 62.100 0.481 0.000 1.017 377 T CB 1.371 70.577 68.868 0.564 0.000 1.137 377 T HN 0.577 nan 8.240 nan 0.000 0.511 378 T N 3.305 118.054 114.554 0.326 0.000 2.881 378 T HA 0.584 4.923 4.350 -0.018 0.000 0.291 378 T C -0.773 173.946 174.700 0.032 0.000 0.990 378 T CA -0.415 61.775 62.100 0.151 0.000 0.976 378 T CB 0.417 69.345 68.868 0.100 0.000 0.970 378 T HN 0.501 nan 8.240 nan 0.000 0.438 379 I N 3.265 123.788 120.570 -0.078 0.000 2.521 379 I HA 0.507 4.666 4.170 -0.018 0.000 0.277 379 I C 1.005 176.909 176.117 -0.355 0.000 1.054 379 I CA -0.358 60.758 61.300 -0.307 0.000 1.117 379 I CB 0.913 38.770 38.000 -0.238 0.000 1.217 379 I HN 0.942 nan 8.210 nan 0.000 0.469 380 G N 6.210 114.793 108.800 -0.361 0.000 2.543 380 G HA2 -0.287 3.662 3.960 -0.018 0.000 0.286 380 G HA3 -0.287 3.662 3.960 -0.018 0.000 0.286 380 G C 0.081 174.851 174.900 -0.216 0.000 1.153 380 G CA 0.288 45.258 45.100 -0.218 0.000 0.968 380 G HN 0.715 nan 8.290 nan 0.000 0.544 384 Y N 0.227 120.554 120.300 0.046 0.000 2.425 384 Y HA 0.716 5.255 4.550 -0.018 0.000 0.344 384 Y C 0.735 175.967 175.900 -1.113 0.000 0.969 384 Y CA -1.116 56.760 58.100 -0.373 0.000 1.052 384 Y CB 2.517 40.866 38.460 -0.184 0.000 1.215 384 Y HN 0.454 nan 8.280 nan 0.000 0.451 385 G N 2.230 110.192 108.800 -1.397 0.000 2.372 385 G HA2 0.598 4.547 3.960 -0.018 0.000 0.323 385 G HA3 0.598 4.547 3.960 -0.018 0.000 0.323 385 G C -1.690 172.695 174.900 -0.858 0.000 1.152 385 G CA -0.437 43.748 45.100 -1.524 0.000 0.906 385 G HN 0.345 nan 8.290 nan 0.000 0.460 386 F N 1.427 120.853 119.950 -0.874 0.000 2.426 386 F HA 0.497 5.014 4.527 -0.018 0.000 0.348 386 F C -0.699 174.723 175.800 -0.629 0.000 1.124 386 F CA -0.765 56.936 58.000 -0.499 0.000 1.008 386 F CB 1.860 40.705 39.000 -0.259 0.000 1.139 386 F HN 0.312 nan 8.300 nan 0.000 0.452 387 Y N 1.327 121.231 120.300 -0.660 0.000 2.391 387 Y HA 0.461 5.000 4.550 -0.018 0.000 0.341 387 Y C -1.109 174.085 175.900 -1.176 0.000 0.965 387 Y CA -1.501 56.145 58.100 -0.757 0.000 1.067 387 Y CB 1.514 39.482 38.460 -0.819 0.000 1.199 387 Y HN 0.523 nan 8.280 nan 0.000 0.450 388 W N 3.172 124.124 121.300 -0.579 0.000 2.632 388 W HA 0.644 5.293 4.660 -0.018 0.000 0.328 388 W C -1.473 174.584 176.519 -0.771 0.000 1.044 388 W CA -0.760 56.264 57.345 -0.536 0.000 1.225 388 W CB 1.292 30.615 29.460 -0.228 0.000 1.396 388 W HN 0.317 nan 8.180 nan 0.000 0.499 389 Y N 2.526 122.716 120.300 -0.183 0.000 2.462 389 Y HA 0.685 5.224 4.550 -0.018 0.000 0.346 389 Y C -0.403 175.167 175.900 -0.550 0.000 0.976 389 Y CA -1.635 56.156 58.100 -0.516 0.000 1.044 389 Y CB 1.295 39.313 38.460 -0.737 0.000 1.230 389 Y HN 0.061 nan 8.280 nan 0.000 0.455 390 L N 3.671 124.530 121.223 -0.607 0.000 2.376 390 L HA 0.527 4.856 4.340 -0.018 0.000 0.275 390 L C -1.275 175.392 176.870 -0.338 0.000 0.987 390 L CA -0.806 53.636 54.840 -0.664 0.000 0.828 390 L CB 1.356 42.697 42.059 -1.197 0.000 1.249 390 L HN 0.603 nan 8.230 nan 0.000 0.409 391 Y N 1.848 122.297 120.300 0.250 0.000 2.488 391 Y HA 0.320 4.860 4.550 -0.018 0.000 0.325 391 Y C 1.217 177.572 175.900 0.758 0.000 1.204 391 Y CA -0.735 57.625 58.100 0.434 0.000 1.229 391 Y CB 1.333 39.935 38.460 0.238 0.000 1.274 391 Y HN 0.439 nan 8.280 nan 0.000 0.493 392 L N 0.691 122.344 121.223 0.716 0.000 2.079 392 L HA -0.218 4.111 4.340 -0.018 0.000 0.210 392 L C 1.793 178.904 176.870 0.402 0.000 1.081 392 L CA 1.768 56.885 54.840 0.462 0.000 0.752 392 L CB -0.333 41.878 42.059 0.254 0.000 0.896 392 L HN 0.780 nan 8.230 nan 0.000 0.433 393 D N -0.494 120.117 120.400 0.351 0.000 2.363 393 D HA -0.042 4.587 4.640 -0.018 0.000 0.226 393 D C 1.419 177.794 176.300 0.125 0.000 1.020 393 D CA 0.979 55.074 54.000 0.158 0.000 0.892 393 D CB 0.296 41.167 40.800 0.117 0.000 0.900 393 D HN 0.370 nan 8.370 nan 0.000 0.531 394 G N -0.560 108.488 108.800 0.412 0.000 2.179 394 G HA2 -0.227 3.722 3.960 -0.018 0.000 0.220 394 G HA3 -0.227 3.722 3.960 -0.018 0.000 0.220 394 G C 0.357 175.732 174.900 0.791 0.000 0.990 394 G CA 0.156 45.525 45.100 0.450 0.000 0.646 394 G HN 0.443 nan 8.290 nan 0.000 0.517 395 T N 1.216 116.165 114.554 0.659 0.000 2.907 395 T HA 0.582 4.921 4.350 -0.018 0.000 0.298 395 T C 0.462 175.533 174.700 0.618 0.000 1.017 395 T CA 0.450 62.880 62.100 0.551 0.000 1.118 395 T CB 1.284 70.310 68.868 0.264 0.000 0.948 395 T HN 0.331 nan 8.240 nan 0.000 0.531 396 I N 2.505 123.356 120.570 0.469 0.000 2.465 396 I HA 0.491 4.650 4.170 -0.018 0.000 0.291 396 I C 0.076 176.338 176.117 0.241 0.000 1.014 396 I CA -0.600 60.864 61.300 0.274 0.000 1.093 396 I CB 1.906 40.038 38.000 0.220 0.000 1.267 396 I HN 0.597 nan 8.210 nan 0.000 0.431 397 E N 5.559 125.857 120.200 0.164 0.000 2.383 397 E HA 0.495 4.834 4.350 -0.018 0.000 0.275 397 E C -2.021 174.400 176.600 -0.299 0.000 0.918 397 E CA -0.649 55.740 56.400 -0.018 0.000 0.764 397 E CB 2.720 32.556 29.700 0.226 0.000 1.252 397 E HN 0.408 nan 8.360 nan 0.000 0.449 398 F N 2.237 121.619 119.950 -0.947 0.000 2.532 398 F HA 0.531 5.047 4.527 -0.018 0.000 0.321 398 F C -1.206 174.075 175.800 -0.865 0.000 1.089 398 F CA -0.542 56.702 58.000 -1.259 0.000 0.926 398 F CB 1.836 39.761 39.000 -1.793 0.000 1.168 398 F HN 0.510 nan 8.300 nan 0.000 0.459 399 E N 4.145 123.174 120.200 -1.952 0.000 2.278 399 E HA 0.678 5.017 4.350 -0.018 0.000 0.272 399 E C -1.919 173.806 176.600 -1.458 0.000 0.890 399 E CA -0.923 54.729 56.400 -1.246 0.000 0.770 399 E CB 1.741 31.142 29.700 -0.499 0.000 1.212 399 E HN 0.886 nan 8.360 nan 0.000 0.415 400 A N 4.413 126.624 122.820 -1.016 0.000 2.312 400 A HA 0.597 4.906 4.320 -0.018 0.000 0.326 400 A C -0.798 176.528 177.584 -0.429 0.000 1.172 400 A CA -0.673 50.881 52.037 -0.805 0.000 0.821 400 A CB 0.846 19.216 19.000 -1.050 0.000 1.166 400 A HN 0.555 nan 8.150 nan 0.000 0.493 401 K N 1.535 121.742 120.400 -0.322 0.000 2.450 401 K HA 0.560 4.870 4.320 -0.018 0.000 0.257 401 K C -0.794 175.778 176.600 -0.047 0.000 0.953 401 K CA -0.340 55.871 56.287 -0.128 0.000 0.844 401 K CB 2.178 34.659 32.500 -0.031 0.000 1.103 401 K HN 0.729 nan 8.250 nan 0.000 0.429 402 A N 2.525 125.369 122.820 0.040 0.000 2.260 402 A HA 0.523 4.833 4.320 -0.018 0.000 0.314 402 A C -0.072 177.531 177.584 0.033 0.000 1.257 402 A CA -0.196 51.880 52.037 0.066 0.000 0.871 402 A CB 1.110 20.126 19.000 0.027 0.000 1.166 402 A HN 0.673 nan 8.150 nan 0.000 0.522 403 T N 1.028 115.573 114.554 -0.015 0.000 2.590 403 T HA 0.831 5.170 4.350 -0.018 0.000 0.282 403 T C 0.374 175.006 174.700 -0.113 0.000 0.989 403 T CA 0.985 63.073 62.100 -0.019 0.000 1.091 403 T CB 0.866 69.760 68.868 0.042 0.000 1.460 403 T HN 2.586 nan 8.240 nan 0.000 0.499 404 G N -0.165 108.553 108.800 -0.137 0.000 2.416 404 G HA2 0.054 4.003 3.960 -0.018 0.000 0.203 404 G HA3 0.054 4.003 3.960 -0.018 0.000 0.203 404 G C -1.263 173.505 174.900 -0.220 0.000 1.227 404 G CA -0.207 44.773 45.100 -0.200 0.000 1.041 404 G HN 1.295 nan 8.290 nan 0.000 0.546 405 V N 0.445 120.192 119.914 -0.278 0.000 2.513 405 V HA 0.594 4.703 4.120 -0.018 0.000 0.299 405 V C 0.985 176.970 176.094 -0.181 0.000 1.035 405 V CA -0.710 61.446 62.300 -0.240 0.000 0.889 405 V CB 1.495 33.099 31.823 -0.365 0.000 0.988 405 V HN 0.903 nan 8.190 nan 0.000 0.440 406 V N 4.403 124.364 119.914 0.080 0.000 2.763 406 V HA 0.052 4.161 4.120 -0.018 0.000 0.306 406 V C 0.021 176.189 176.094 0.123 0.000 1.059 406 V CA 0.197 62.601 62.300 0.173 0.000 1.138 406 V CB 0.615 32.619 31.823 0.302 0.000 0.940 406 V HN 0.687 nan 8.190 nan 0.000 0.489 407 F N 5.237 125.203 119.950 0.026 0.000 2.472 407 F HA 0.371 4.887 4.527 -0.018 0.000 0.364 407 F C 0.942 176.853 175.800 0.185 0.000 1.090 407 F CA -0.171 57.862 58.000 0.056 0.000 1.188 407 F CB 0.729 39.738 39.000 0.015 0.000 1.105 407 F HN 0.703 nan 8.300 nan 0.000 0.536 408 T N 1.822 116.400 114.554 0.040 0.000 2.897 408 T HA 0.811 5.151 4.350 -0.018 0.000 0.278 408 T C -0.111 174.674 174.700 0.142 0.000 0.981 408 T CA -0.208 61.967 62.100 0.126 0.000 0.973 408 T CB 1.613 70.515 68.868 0.057 0.000 1.092 408 T HN 0.724 nan 8.240 nan 0.000 0.543 409 S N -0.656 115.073 115.700 0.049 0.000 2.727 409 S HA 0.765 5.224 4.470 -0.018 0.000 0.278 409 S C -0.631 173.918 174.600 -0.086 0.000 1.186 409 S CA -0.774 57.399 58.200 -0.045 0.000 0.836 409 S CB 0.759 63.938 63.200 -0.035 0.000 1.186 409 S HN 1.403 nan 8.310 nan 0.000 0.499 410 A N 0.384 123.091 122.820 -0.188 0.000 2.286 410 A HA 0.726 5.035 4.320 -0.018 0.000 0.286 410 A C -0.854 176.726 177.584 -0.006 0.000 1.097 410 A CA -0.448 51.526 52.037 -0.105 0.000 0.821 410 A CB -0.024 18.862 19.000 -0.191 0.000 1.076 410 A HN 1.020 nan 8.150 nan 0.000 0.490 411 F N 2.189 122.114 119.950 -0.042 0.000 2.385 411 F HA 0.524 5.041 4.527 -0.018 0.000 0.360 411 F C -2.178 173.651 175.800 0.048 0.000 1.122 411 F CA -2.630 55.359 58.000 -0.019 0.000 1.090 411 F CB 0.986 39.974 39.000 -0.019 0.000 1.150 411 F HN 0.290 nan 8.300 nan 0.000 0.472 412 P HA -0.029 nan 4.420 nan 0.000 0.264 412 P C 0.746 177.850 177.300 -0.328 0.000 1.183 412 P CA 0.371 63.294 63.100 -0.294 0.000 0.763 412 P CB 0.598 32.102 31.700 -0.328 0.000 0.807 413 E N 2.656 122.802 120.200 -0.090 0.000 2.070 413 E HA -0.181 4.159 4.350 -0.018 0.000 0.197 413 E C 1.544 178.119 176.600 -0.042 0.000 1.004 413 E CA 1.531 57.914 56.400 -0.027 0.000 0.805 413 E CB -0.489 29.203 29.700 -0.013 0.000 0.744 413 E HN 0.664 nan 8.360 nan 0.000 0.451 414 G N 0.072 108.824 108.800 -0.080 0.000 3.374 414 G HA2 0.367 4.316 3.960 -0.018 0.000 0.252 414 G HA3 0.367 4.316 3.960 -0.018 0.000 0.252 414 G C 0.382 175.232 174.900 -0.083 0.000 1.326 414 G CA 0.289 45.357 45.100 -0.053 0.000 1.133 414 G HN 0.548 nan 8.290 nan 0.000 0.528 415 G N -0.895 107.792 108.800 -0.187 0.000 2.855 415 G HA2 0.162 4.111 3.960 -0.018 0.000 0.352 415 G HA3 0.162 4.111 3.960 -0.018 0.000 0.352 415 G C -0.268 174.435 174.900 -0.328 0.000 1.415 415 G CA -0.034 44.946 45.100 -0.199 0.000 0.871 415 G HN 1.302 nan 8.290 nan 0.000 0.543 416 S N -1.193 114.410 115.700 -0.163 0.000 2.537 416 S HA 0.596 5.055 4.470 -0.018 0.000 0.270 416 S C -0.065 174.527 174.600 -0.012 0.000 1.142 416 S CA 0.253 58.368 58.200 -0.142 0.000 0.870 416 S CB 1.756 64.799 63.200 -0.262 0.000 1.112 416 S HN 0.578 nan 8.310 nan 0.000 0.466 417 D N 2.458 122.843 120.400 -0.025 0.000 2.339 417 D HA 0.180 4.809 4.640 -0.018 0.000 0.217 417 D C 0.373 176.673 176.300 -0.000 0.000 1.050 417 D CA 0.543 54.577 54.000 0.056 0.000 0.856 417 D CB 0.045 40.882 40.800 0.062 0.000 0.922 417 D HN 0.608 nan 8.370 nan 0.000 0.518 418 N N -0.644 117.878 118.700 -0.296 0.000 2.160 418 N HA 0.263 4.992 4.740 -0.018 0.000 0.226 418 N C -0.356 174.430 175.510 -1.207 0.000 1.256 418 N CA -0.013 52.654 53.050 -0.638 0.000 0.890 418 N CB 1.706 40.064 38.487 -0.214 0.000 1.116 418 N HN -0.007 nan 8.380 nan 0.000 0.517 419 I N 0.305 120.314 120.570 -0.936 0.000 2.722 419 I HA 0.360 4.519 4.170 -0.018 0.000 0.295 419 I C -0.727 175.395 176.117 0.009 0.000 1.161 419 I CA -0.984 60.043 61.300 -0.456 0.000 1.032 419 I CB 2.230 40.175 38.000 -0.093 0.000 1.244 419 I HN -0.056 nan 8.210 nan 0.000 0.421 420 S N 3.539 119.402 115.700 0.271 0.000 2.578 420 S HA 0.529 4.988 4.470 -0.018 0.000 0.301 420 S C -0.767 173.829 174.600 -0.006 0.000 1.091 420 S CA -0.825 57.560 58.200 0.309 0.000 1.032 420 S CB 2.093 65.558 63.200 0.442 0.000 1.064 420 S HN 0.668 nan 8.310 nan 0.000 0.508 421 Q N 0.768 120.271 119.800 -0.494 0.000 2.256 421 Q HA 0.455 4.784 4.340 -0.018 0.000 0.254 421 Q C -0.174 175.636 176.000 -0.318 0.000 0.916 421 Q CA -0.508 54.859 55.803 -0.727 0.000 0.932 421 Q CB 0.750 28.680 28.738 -1.345 0.000 1.207 421 Q HN 0.862 nan 8.270 nan 0.000 0.426 422 L N 2.055 123.116 121.223 -0.270 0.000 2.500 422 L HA 0.534 4.863 4.340 -0.018 0.000 0.219 422 L C 0.372 177.124 176.870 -0.197 0.000 1.057 422 L CA 0.129 54.844 54.840 -0.209 0.000 0.854 422 L CB 0.559 42.399 42.059 -0.365 0.000 1.078 422 L HN 0.642 nan 8.230 nan 0.000 0.480 423 A N -1.028 121.642 122.820 -0.249 0.000 2.564 423 A HA 0.627 4.936 4.320 -0.018 0.000 0.291 423 A C -2.748 174.770 177.584 -0.111 0.000 1.102 423 A CA -0.985 50.971 52.037 -0.135 0.000 0.660 423 A CB 0.290 19.208 19.000 -0.137 0.000 1.283 423 A HN -0.224 nan 8.150 nan 0.000 0.430 424 P HA 0.287 nan 4.420 nan 0.000 0.257 424 P C 0.992 178.304 177.300 0.020 0.000 1.189 424 P CA 2.304 65.403 63.100 -0.001 0.000 0.780 424 P CB 0.263 31.978 31.700 0.026 0.000 0.772 425 G N 2.387 111.225 108.800 0.063 0.000 2.184 425 G HA2 -0.282 3.667 3.960 -0.018 0.000 0.264 425 G HA3 -0.282 3.667 3.960 -0.018 0.000 0.264 425 G C -0.142 174.809 174.900 0.085 0.000 0.975 425 G CA -0.127 45.042 45.100 0.115 0.000 0.642 425 G HN 0.564 nan 8.290 nan 0.000 0.536 426 L N 1.891 123.101 121.223 -0.021 0.000 2.264 426 L HA 0.774 5.103 4.340 -0.018 0.000 0.289 426 L C 0.750 177.566 176.870 -0.091 0.000 1.044 426 L CA 0.156 54.922 54.840 -0.124 0.000 0.807 426 L CB 1.016 42.865 42.059 -0.350 0.000 1.192 426 L HN 0.361 nan 8.230 nan 0.000 0.425 427 G N 3.414 112.223 108.800 0.014 0.000 2.509 427 G HA2 0.765 4.714 3.960 -0.018 0.000 0.328 427 G HA3 0.765 4.714 3.960 -0.018 0.000 0.328 427 G C -1.546 173.394 174.900 0.065 0.000 1.194 427 G CA -0.319 44.856 45.100 0.124 0.000 0.967 427 G HN 0.943 nan 8.290 nan 0.000 0.488 428 A N 1.284 124.194 122.820 0.150 0.000 2.522 428 A HA 0.741 5.050 4.320 -0.018 0.000 0.285 428 A C -2.850 174.918 177.584 0.306 0.000 1.198 428 A CA -1.284 50.893 52.037 0.234 0.000 0.742 428 A CB 1.619 20.767 19.000 0.245 0.000 1.176 428 A HN 0.406 nan 8.150 nan 0.000 0.444 429 P HA 0.233 nan 4.420 nan 0.000 0.268 429 P C -0.357 177.242 177.300 0.498 0.000 1.205 429 P CA 0.119 63.377 63.100 0.263 0.000 0.771 429 P CB 0.204 32.081 31.700 0.296 0.000 0.858 430 F N 3.216 123.296 119.950 0.216 0.000 2.506 430 F HA 0.213 4.729 4.527 -0.018 0.000 0.351 430 F C 1.638 177.375 175.800 -0.105 0.000 1.136 430 F CA 0.482 58.498 58.000 0.026 0.000 1.298 430 F CB -0.467 38.532 39.000 -0.001 0.000 1.145 430 F HN 0.504 nan 8.300 nan 0.000 0.593 431 H N -0.387 118.531 119.070 -0.254 0.000 2.902 431 H HA 0.520 5.065 4.556 -0.018 0.000 0.297 431 H C -1.804 173.189 175.328 -0.559 0.000 1.406 431 H CA -1.109 54.554 56.048 -0.642 0.000 1.134 431 H CB 1.453 30.407 29.762 -1.348 0.000 1.833 431 H HN 0.586 nan 8.280 nan 0.000 0.527 432 Q N 0.073 119.539 119.800 -0.556 0.000 2.484 432 Q HA 0.395 4.725 4.340 -0.018 0.000 0.285 432 Q C -1.128 174.540 176.000 -0.553 0.000 1.097 432 Q CA -0.973 54.528 55.803 -0.502 0.000 0.802 432 Q CB 3.054 31.568 28.738 -0.373 0.000 1.444 432 Q HN 0.560 nan 8.270 nan 0.000 0.429 433 H N 1.203 120.064 119.070 -0.348 0.000 2.991 433 H HA 0.426 4.971 4.556 -0.018 0.000 0.304 433 H C -0.939 174.082 175.328 -0.511 0.000 1.040 433 H CA -0.210 55.597 56.048 -0.401 0.000 1.410 433 H CB 0.738 30.338 29.762 -0.271 0.000 1.529 433 H HN 0.438 nan 8.280 nan 0.000 0.509 434 I N 3.909 124.184 120.570 -0.491 0.000 2.378 434 I HA 0.243 4.403 4.170 -0.018 0.000 0.291 434 I C -0.479 175.315 176.117 -0.538 0.000 0.992 434 I CA -0.580 60.474 61.300 -0.409 0.000 1.154 434 I CB 0.938 38.761 38.000 -0.295 0.000 1.315 434 I HN 0.195 nan 8.210 nan 0.000 0.448 435 F N 3.203 122.893 119.950 -0.433 0.000 2.483 435 F HA 0.529 5.045 4.527 -0.018 0.000 0.329 435 F C 0.603 176.184 175.800 -0.366 0.000 1.064 435 F CA -0.822 56.879 58.000 -0.499 0.000 0.986 435 F CB 1.735 40.148 39.000 -0.979 0.000 1.218 435 F HN 0.259 nan 8.300 nan 0.000 0.484 436 S N 1.153 116.877 115.700 0.040 0.000 2.756 436 S HA 0.766 5.225 4.470 -0.018 0.000 0.303 436 S C -0.935 173.754 174.600 0.148 0.000 1.135 436 S CA -0.532 57.724 58.200 0.094 0.000 1.066 436 S CB 0.434 63.542 63.200 -0.153 0.000 1.008 436 S HN 0.834 nan 8.310 nan 0.000 0.482 437 A N 4.795 127.755 122.820 0.234 0.000 2.274 437 A HA 0.630 4.939 4.320 -0.018 0.000 0.309 437 A C 0.135 177.739 177.584 0.034 0.000 1.226 437 A CA -0.671 51.468 52.037 0.171 0.000 0.853 437 A CB 0.395 19.471 19.000 0.127 0.000 1.146 437 A HN 0.843 nan 8.150 nan 0.000 0.518 438 R N 3.526 123.980 120.500 -0.077 0.000 2.215 438 R HA 0.533 4.863 4.340 -0.018 0.000 0.336 438 R C -1.592 174.515 176.300 -0.321 0.000 0.996 438 R CA -0.344 55.503 56.100 -0.422 0.000 0.847 438 R CB 0.276 30.200 30.300 -0.627 0.000 1.127 438 R HN 0.714 nan 8.270 nan 0.000 0.465 439 L N 4.440 125.470 121.223 -0.321 0.000 2.324 439 L HA 0.267 4.597 4.340 -0.018 0.000 0.274 439 L C -0.470 176.280 176.870 -0.201 0.000 1.012 439 L CA -0.887 53.843 54.840 -0.183 0.000 0.859 439 L CB 1.501 43.517 42.059 -0.072 0.000 1.224 439 L HN 0.540 nan 8.230 nan 0.000 0.429 440 D N 4.970 125.267 120.400 -0.172 0.000 2.402 440 D HA 0.170 4.799 4.640 -0.018 0.000 0.235 440 D C 0.125 176.412 176.300 -0.020 0.000 1.226 440 D CA -0.265 53.688 54.000 -0.078 0.000 0.918 440 D CB 0.613 41.388 40.800 -0.043 0.000 1.043 440 D HN 0.147 nan 8.370 nan 0.000 0.506 441 M N 2.404 122.006 119.600 0.005 0.000 2.238 441 M HA 0.344 4.813 4.480 -0.018 0.000 0.347 441 M C 0.368 176.675 176.300 0.011 0.000 1.173 441 M CA -0.390 54.911 55.300 0.001 0.000 1.147 441 M CB 0.785 33.399 32.600 0.024 0.000 1.547 441 M HN 0.484 nan 8.290 nan 0.000 0.455 442 A N 4.110 126.864 122.820 -0.110 0.000 3.292 442 A HA 0.388 4.698 4.320 -0.018 0.000 0.231 442 A C -0.285 177.194 177.584 -0.176 0.000 0.952 442 A CA -0.541 51.327 52.037 -0.283 0.000 1.044 442 A CB 0.110 18.758 19.000 -0.587 0.000 1.236 442 A HN 0.624 nan 8.150 nan 0.000 0.525 443 I N 1.644 122.182 120.570 -0.053 0.000 2.691 443 I HA 0.034 4.194 4.170 -0.018 0.000 0.288 443 I C 0.430 176.609 176.117 0.103 0.000 1.143 443 I CA 0.908 62.252 61.300 0.073 0.000 1.364 443 I CB -1.030 37.057 38.000 0.144 0.000 1.435 443 I HN 0.495 nan 8.210 nan 0.000 0.551 444 D N 4.875 125.359 120.400 0.140 0.000 2.911 444 D HA -0.158 4.471 4.640 -0.018 0.000 0.227 444 D C 0.627 176.888 176.300 -0.065 0.000 1.164 444 D CA 1.660 55.675 54.000 0.025 0.000 0.782 444 D CB -0.743 40.027 40.800 -0.050 0.000 1.094 444 D HN 1.108 nan 8.370 nan 0.000 0.425 445 G N -2.258 106.448 108.800 -0.157 0.000 2.353 445 G HA2 -0.062 3.887 3.960 -0.018 0.000 0.615 445 G HA3 -0.062 3.887 3.960 -0.018 0.000 0.615 445 G C 0.254 174.981 174.900 -0.289 0.000 1.280 445 G CA -0.358 44.585 45.100 -0.261 0.000 1.000 445 G HN 0.028 nan 8.290 nan 0.000 0.516 446 F N 0.759 120.702 119.950 -0.012 0.000 2.661 446 F HA 0.202 4.719 4.527 -0.017 0.000 0.298 446 F C 2.326 178.126 175.800 0.001 0.000 1.137 446 F CA 1.259 59.247 58.000 -0.021 0.000 1.454 446 F CB 0.179 39.150 39.000 -0.048 0.000 1.103 446 F HN 0.284 nan 8.300 nan 0.000 0.577 447 T N 2.669 117.310 114.554 0.145 0.000 3.182 447 T HA 0.129 4.468 4.350 -0.018 0.000 0.274 447 T C -0.035 174.718 174.700 0.088 0.000 0.997 447 T CA -0.080 62.084 62.100 0.106 0.000 1.082 447 T CB -0.588 68.324 68.868 0.072 0.000 1.005 447 T HN -0.005 nan 8.240 nan 0.000 0.688 448 N N 2.461 121.223 118.700 0.103 0.000 2.453 448 N HA 0.668 5.397 4.740 -0.018 0.000 0.290 448 N C -0.310 175.255 175.510 0.093 0.000 1.250 448 N CA -0.933 52.173 53.050 0.093 0.000 0.815 448 N CB 1.877 40.422 38.487 0.097 0.000 1.381 448 N HN 0.469 nan 8.380 nan 0.000 0.510 449 R N -0.308 120.248 120.500 0.092 0.000 2.710 449 R HA 0.645 4.975 4.340 -0.018 0.000 0.270 449 R C -2.038 174.325 176.300 0.105 0.000 1.021 449 R CA -0.582 55.574 56.100 0.093 0.000 0.889 449 R CB 1.166 31.514 30.300 0.079 0.000 1.243 449 R HN 0.282 nan 8.270 nan 0.000 0.464 450 V N 2.176 122.158 119.914 0.114 0.000 2.540 450 V HA 0.447 4.556 4.120 -0.018 0.000 0.302 450 V C -0.755 175.427 176.094 0.148 0.000 1.035 450 V CA -0.691 61.694 62.300 0.142 0.000 0.873 450 V CB 1.834 33.748 31.823 0.152 0.000 0.992 450 V HN 0.785 nan 8.190 nan 0.000 0.428 451 E N 2.389 122.683 120.200 0.156 0.000 2.222 451 E HA 0.434 4.774 4.350 -0.018 0.000 0.267 451 E C -0.932 175.755 176.600 0.145 0.000 0.884 451 E CA -0.647 55.828 56.400 0.126 0.000 0.764 451 E CB 2.795 32.540 29.700 0.074 0.000 1.169 451 E HN 0.747 nan 8.360 nan 0.000 0.413 452 E N 2.796 123.065 120.200 0.115 0.000 2.167 452 E HA 0.083 4.422 4.350 -0.018 0.000 0.284 452 E C -0.999 175.524 176.600 -0.128 0.000 1.016 452 E CA -0.290 56.091 56.400 -0.030 0.000 0.817 452 E CB 0.936 30.681 29.700 0.075 0.000 1.080 452 E HN 0.389 nan 8.360 nan 0.000 0.397 453 E N 4.317 124.368 120.200 -0.248 0.000 2.133 453 E HA 0.181 4.520 4.350 -0.018 0.000 0.274 453 E C -1.279 175.199 176.600 -0.204 0.000 0.930 453 E CA -0.814 55.484 56.400 -0.170 0.000 0.770 453 E CB 0.943 30.566 29.700 -0.129 0.000 1.104 453 E HN 0.445 nan 8.360 nan 0.000 0.403 454 D N 2.602 122.928 120.400 -0.123 0.000 2.350 454 D HA 0.247 4.876 4.640 -0.018 0.000 0.245 454 D C -0.412 175.861 176.300 -0.044 0.000 1.036 454 D CA -0.554 53.386 54.000 -0.101 0.000 0.848 454 D CB 2.147 42.902 40.800 -0.075 0.000 1.307 454 D HN 0.151 nan 8.370 nan 0.000 0.469 455 V N 1.416 121.310 119.914 -0.034 0.000 2.843 455 V HA 0.169 4.279 4.120 -0.018 0.000 0.305 455 V C 0.241 176.349 176.094 0.022 0.000 1.065 455 V CA -0.184 62.124 62.300 0.014 0.000 1.116 455 V CB 1.337 33.145 31.823 -0.025 0.000 0.968 455 V HN 0.263 nan 8.190 nan 0.000 0.487 456 V N 5.848 125.805 119.914 0.072 0.000 2.444 456 V HA 0.456 4.565 4.120 -0.018 0.000 0.294 456 V C 0.158 176.306 176.094 0.091 0.000 1.022 456 V CA -0.826 61.510 62.300 0.059 0.000 0.850 456 V CB 1.598 33.452 31.823 0.051 0.000 0.992 456 V HN 0.803 nan 8.190 nan 0.000 0.426 457 R N 3.399 123.932 120.500 0.054 0.000 2.410 457 R HA 0.572 4.901 4.340 -0.018 0.000 0.288 457 R C -0.568 175.767 176.300 0.059 0.000 1.051 457 R CA -0.484 55.653 56.100 0.062 0.000 1.021 457 R CB 1.240 31.553 30.300 0.021 0.000 1.032 457 R HN 0.682 nan 8.270 nan 0.000 0.481 458 Q N 0.569 120.412 119.800 0.071 0.000 2.345 458 Q HA 0.298 4.627 4.340 -0.018 0.000 0.268 458 Q C -0.771 175.252 176.000 0.039 0.000 1.054 458 Q CA -0.697 55.136 55.803 0.050 0.000 0.835 458 Q CB 2.605 31.373 28.738 0.050 0.000 1.339 458 Q HN 0.462 nan 8.270 nan 0.000 0.447 459 T N 2.112 116.682 114.554 0.026 0.000 2.889 459 T HA 0.264 4.603 4.350 -0.018 0.000 0.291 459 T C 0.040 174.752 174.700 0.019 0.000 0.995 459 T CA -0.424 61.688 62.100 0.020 0.000 1.092 459 T CB 0.509 69.386 68.868 0.014 0.000 0.954 459 T HN 0.491 nan 8.240 nan 0.000 0.506 460 M N 3.053 122.664 119.600 0.018 0.000 2.239 460 M HA 0.449 4.918 4.480 -0.018 0.000 0.348 460 M C 0.479 176.786 176.300 0.011 0.000 1.239 460 M CA 0.929 56.238 55.300 0.015 0.000 1.114 460 M CB -0.451 32.158 32.600 0.014 0.000 1.641 460 M HN 0.903 nan 8.290 nan 0.000 0.453 461 G N 4.249 113.054 108.800 0.009 0.000 2.367 461 G HA2 0.198 4.147 3.960 -0.018 0.000 0.272 461 G HA3 0.198 4.147 3.960 -0.018 0.000 0.272 461 G C -3.376 171.527 174.900 0.005 0.000 1.271 461 G CA -1.126 43.978 45.100 0.007 0.000 0.893 461 G HN 0.432 nan 8.290 nan 0.000 0.485 462 P HA 0.314 nan 4.420 nan 0.000 0.261 462 P C 0.991 178.291 177.300 0.001 0.000 1.183 462 P CA 2.317 65.418 63.100 0.002 0.000 0.761 462 P CB 0.654 32.355 31.700 0.002 0.000 0.785 463 G N 2.935 111.735 108.800 -0.001 0.000 2.205 463 G HA2 -0.283 3.666 3.960 -0.018 0.000 0.261 463 G HA3 -0.283 3.666 3.960 -0.018 0.000 0.261 463 G C 0.540 175.438 174.900 -0.003 0.000 0.980 463 G CA 0.370 45.468 45.100 -0.003 0.000 0.632 463 G HN 0.661 nan 8.290 nan 0.000 0.533 464 N N 0.076 118.776 118.700 0.001 0.000 2.620 464 N HA 0.342 5.071 4.740 -0.018 0.000 0.277 464 N C 0.938 176.452 175.510 0.007 0.000 1.726 464 N CA 0.454 53.507 53.050 0.004 0.000 0.840 464 N CB 0.390 38.882 38.487 0.008 0.000 1.379 464 N HN 0.196 nan 8.380 nan 0.000 0.506 465 E N 0.014 120.217 120.200 0.004 0.000 2.209 465 E HA -0.041 4.299 4.350 -0.018 0.000 0.196 465 E C 1.105 177.709 176.600 0.008 0.000 0.993 465 E CA 1.193 57.597 56.400 0.005 0.000 0.819 465 E CB 0.126 29.828 29.700 0.003 0.000 0.745 465 E HN 0.381 nan 8.360 nan 0.000 0.477 466 R N -0.636 119.869 120.500 0.009 0.000 2.317 466 R HA 0.161 4.490 4.340 -0.018 0.000 0.208 466 R C 0.674 176.984 176.300 0.018 0.000 0.914 466 R CA 0.457 56.564 56.100 0.012 0.000 1.060 466 R CB 0.418 30.725 30.300 0.012 0.000 1.015 466 R HN 0.202 nan 8.270 nan 0.000 0.498 467 G N 2.406 111.219 108.800 0.020 0.000 2.323 467 G HA2 -0.344 3.605 3.960 -0.018 0.000 0.292 467 G HA3 -0.344 3.605 3.960 -0.018 0.000 0.292 467 G C 0.191 175.117 174.900 0.044 0.000 1.040 467 G CA 0.941 46.058 45.100 0.029 0.000 0.942 467 G HN 0.696 nan 8.290 nan 0.000 0.506 468 N N -1.227 117.502 118.700 0.048 0.000 2.227 468 N HA 0.519 5.249 4.740 -0.018 0.000 0.196 468 N C 1.169 176.743 175.510 0.106 0.000 1.142 468 N CA 0.548 53.644 53.050 0.076 0.000 0.887 468 N CB 0.467 38.986 38.487 0.054 0.000 1.022 468 N HN 0.815 nan 8.380 nan 0.000 0.500 469 A N 0.808 123.664 122.820 0.060 0.000 2.462 469 A HA 0.450 4.759 4.320 -0.018 0.000 0.243 469 A C -0.579 177.085 177.584 0.133 0.000 1.076 469 A CA -0.244 51.807 52.037 0.023 0.000 0.773 469 A CB -0.332 18.662 19.000 -0.010 0.000 1.010 469 A HN 0.494 nan 8.150 nan 0.000 0.493 470 F N 0.518 120.464 119.950 -0.006 0.000 2.601 470 F HA 0.815 5.333 4.527 -0.016 0.000 0.309 470 F C -0.243 175.551 175.800 -0.009 0.000 1.089 470 F CA -0.570 57.425 58.000 -0.008 0.000 0.940 470 F CB 1.099 40.094 39.000 -0.009 0.000 1.273 470 F HN 0.551 nan 8.300 nan 0.000 0.450 471 S N 1.156 116.974 115.700 0.196 0.000 2.971 471 S HA 0.833 5.292 4.470 -0.018 0.000 0.320 471 S C -1.408 173.273 174.600 0.135 0.000 1.111 471 S CA -0.914 57.330 58.200 0.074 0.000 0.870 471 S CB 1.461 64.675 63.200 0.023 0.000 1.331 471 S HN 1.072 nan 8.310 nan 0.000 0.635 472 R N 0.678 121.215 120.500 0.061 0.000 2.707 472 R HA 0.641 4.970 4.340 -0.018 0.000 0.272 472 R C -1.931 174.380 176.300 0.017 0.000 1.011 472 R CA -0.924 55.203 56.100 0.045 0.000 0.893 472 R CB 1.379 31.702 30.300 0.039 0.000 1.233 472 R HN 0.680 nan 8.270 nan 0.000 0.464 473 K N 1.876 122.278 120.400 0.003 0.000 2.464 473 K HA 0.569 4.878 4.320 -0.018 0.000 0.253 473 K C -1.179 175.413 176.600 -0.012 0.000 0.933 473 K CA -1.102 55.184 56.287 -0.002 0.000 0.801 473 K CB 2.747 35.247 32.500 0.001 0.000 1.271 473 K HN 0.618 nan 8.250 nan 0.000 0.430 474 R N 1.208 121.706 120.500 -0.003 0.000 2.534 474 R HA 0.375 4.704 4.340 -0.018 0.000 0.301 474 R C -1.127 175.181 176.300 0.014 0.000 0.961 474 R CA -0.876 55.223 56.100 -0.001 0.000 0.871 474 R CB 2.544 32.848 30.300 0.007 0.000 1.170 474 R HN 0.661 nan 8.270 nan 0.000 0.446 475 T N 2.402 116.970 114.554 0.023 0.000 2.791 475 T HA 0.225 4.564 4.350 -0.018 0.000 0.288 475 T C 0.006 174.742 174.700 0.060 0.000 0.999 475 T CA -0.590 61.533 62.100 0.038 0.000 0.952 475 T CB 1.496 70.387 68.868 0.038 0.000 0.938 475 T HN 0.140 nan 8.240 nan 0.000 0.444 476 V N 5.108 125.056 119.914 0.057 0.000 2.637 476 V HA 0.191 4.300 4.120 -0.018 0.000 0.296 476 V C 0.376 176.515 176.094 0.075 0.000 1.046 476 V CA -0.401 61.940 62.300 0.069 0.000 1.066 476 V CB 0.444 32.301 31.823 0.057 0.000 0.968 476 V HN 0.711 nan 8.190 nan 0.000 0.483 477 L N 5.575 126.853 121.223 0.092 0.000 2.268 477 L HA 0.265 4.594 4.340 -0.018 0.000 0.289 477 L C 1.476 178.393 176.870 0.078 0.000 1.064 477 L CA -0.158 54.735 54.840 0.089 0.000 0.824 477 L CB 0.906 43.030 42.059 0.108 0.000 1.202 477 L HN 0.916 nan 8.230 nan 0.000 0.433 478 T N -0.669 113.924 114.554 0.065 0.000 3.009 478 T HA 0.155 4.494 4.350 -0.018 0.000 0.258 478 T C 0.958 175.694 174.700 0.060 0.000 1.063 478 T CA 0.092 62.227 62.100 0.059 0.000 1.139 478 T CB 0.311 69.208 68.868 0.048 0.000 0.890 478 T HN 0.316 nan 8.240 nan 0.000 0.471 479 R N 0.834 121.369 120.500 0.059 0.000 2.807 479 R HA 0.485 4.814 4.340 -0.018 0.000 0.276 479 R C 0.643 176.984 176.300 0.068 0.000 0.979 479 R CA -0.657 55.479 56.100 0.059 0.000 0.928 479 R CB 1.238 31.566 30.300 0.047 0.000 1.191 479 R HN 0.242 nan 8.270 nan 0.000 0.471 480 E N 0.540 120.786 120.200 0.078 0.000 2.209 480 E HA -0.175 4.165 4.350 -0.018 0.000 0.196 480 E C 1.310 177.955 176.600 0.076 0.000 0.993 480 E CA 1.846 58.303 56.400 0.096 0.000 0.819 480 E CB 0.156 29.924 29.700 0.112 0.000 0.745 480 E HN 0.639 nan 8.360 nan 0.000 0.477 481 S N 1.208 116.942 115.700 0.056 0.000 2.442 481 S HA -0.185 4.274 4.470 -0.018 0.000 0.236 481 S C 1.571 176.183 174.600 0.019 0.000 1.007 481 S CA 1.292 59.514 58.200 0.037 0.000 0.965 481 S CB -0.289 62.930 63.200 0.031 0.000 0.773 481 S HN 0.453 nan 8.310 nan 0.000 0.504 482 E N 0.352 120.568 120.200 0.027 0.000 2.558 482 E HA 0.523 4.863 4.350 -0.018 0.000 0.205 482 E C 0.807 177.418 176.600 0.019 0.000 1.006 482 E CA 0.201 56.611 56.400 0.018 0.000 0.961 482 E CB 0.371 30.090 29.700 0.031 0.000 1.044 482 E HN 0.501 nan 8.360 nan 0.000 0.465 483 A N 1.036 123.868 122.820 0.020 0.000 2.507 483 A HA 0.310 4.620 4.320 -0.018 0.000 0.270 483 A C 0.232 177.775 177.584 -0.070 0.000 1.318 483 A CA -0.225 51.826 52.037 0.023 0.000 0.924 483 A CB 0.240 19.292 19.000 0.087 0.000 1.061 483 A HN 0.107 nan 8.150 nan 0.000 0.516 484 V N 2.799 122.603 119.914 -0.183 0.000 2.293 484 V HA 0.401 4.510 4.120 -0.018 0.000 0.275 484 V C -0.487 175.393 176.094 -0.355 0.000 1.021 484 V CA -0.732 61.274 62.300 -0.491 0.000 0.815 484 V CB 0.594 32.018 31.823 -0.666 0.000 1.025 484 V HN 0.472 nan 8.190 nan 0.000 0.448 485 R N 3.429 123.733 120.500 -0.327 0.000 2.778 485 R HA 0.665 4.994 4.340 -0.018 0.000 0.277 485 R C -0.203 176.056 176.300 -0.067 0.000 0.977 485 R CA -0.720 55.320 56.100 -0.100 0.000 0.950 485 R CB 2.180 32.542 30.300 0.105 0.000 1.165 485 R HN 0.885 nan 8.270 nan 0.000 0.474 486 E N 0.441 120.703 120.200 0.103 0.000 2.235 486 E HA 0.710 5.049 4.350 -0.018 0.000 0.265 486 E C -0.788 176.020 176.600 0.346 0.000 0.940 486 E CA -1.120 55.369 56.400 0.148 0.000 0.819 486 E CB 1.643 31.386 29.700 0.072 0.000 1.206 486 E HN 0.541 nan 8.360 nan 0.000 0.409 487 A N 1.225 124.245 122.820 0.334 0.000 2.366 487 A HA 0.255 4.564 4.320 -0.018 0.000 0.249 487 A C -0.288 177.399 177.584 0.171 0.000 1.084 487 A CA -0.084 52.166 52.037 0.354 0.000 0.794 487 A CB 0.341 19.532 19.000 0.319 0.000 1.034 487 A HN 0.696 nan 8.150 nan 0.000 0.491 488 D N 0.206 120.658 120.400 0.087 0.000 2.527 488 D HA 0.423 5.052 4.640 -0.018 0.000 0.242 488 D C 0.724 177.028 176.300 0.006 0.000 1.285 488 D CA 0.292 54.312 54.000 0.033 0.000 0.886 488 D CB 0.655 41.454 40.800 -0.001 0.000 1.402 488 D HN 0.477 nan 8.370 nan 0.000 0.528 489 A N 2.748 125.591 122.820 0.039 0.000 1.940 489 A HA -0.179 4.130 4.320 -0.018 0.000 0.219 489 A C 2.077 179.662 177.584 0.002 0.000 1.176 489 A CA 1.490 53.547 52.037 0.032 0.000 0.631 489 A CB -0.236 18.798 19.000 0.056 0.000 0.814 489 A HN 0.493 nan 8.150 nan 0.000 0.446 490 R N -0.198 120.302 120.500 -0.000 0.000 2.105 490 R HA -0.136 4.194 4.340 -0.018 0.000 0.239 490 R C 1.583 177.863 176.300 -0.033 0.000 1.135 490 R CA 1.976 58.067 56.100 -0.015 0.000 0.967 490 R CB -0.367 29.928 30.300 -0.008 0.000 0.861 490 R HN 0.612 nan 8.270 nan 0.000 0.442 491 T N -3.391 111.140 114.554 -0.038 0.000 3.223 491 T HA 0.254 4.593 4.350 -0.018 0.000 0.259 491 T C 0.859 175.518 174.700 -0.069 0.000 1.015 491 T CA 0.136 62.205 62.100 -0.053 0.000 0.908 491 T CB 0.741 69.580 68.868 -0.048 0.000 1.054 491 T HN 0.373 nan 8.240 nan 0.000 0.567 492 G N 2.394 111.157 108.800 -0.062 0.000 2.341 492 G HA2 -0.352 3.597 3.960 -0.018 0.000 0.292 492 G HA3 -0.352 3.597 3.960 -0.018 0.000 0.292 492 G C 0.073 174.899 174.900 -0.123 0.000 1.021 492 G CA 0.237 45.299 45.100 -0.063 0.000 0.905 492 G HN 0.900 nan 8.290 nan 0.000 0.508 493 R N 0.577 120.965 120.500 -0.186 0.000 2.538 493 R HA 0.405 4.734 4.340 -0.018 0.000 0.282 493 R C 0.908 176.849 176.300 -0.599 0.000 1.009 493 R CA 1.079 56.946 56.100 -0.389 0.000 1.063 493 R CB 0.196 30.248 30.300 -0.413 0.000 0.945 493 R HN 0.487 nan 8.270 nan 0.000 0.414 494 T N 0.711 114.825 114.554 -0.732 0.000 2.804 494 T HA 0.541 4.880 4.350 -0.018 0.000 0.290 494 T C -1.062 173.137 174.700 -0.836 0.000 1.099 494 T CA -0.960 60.722 62.100 -0.695 0.000 1.011 494 T CB 1.266 69.897 68.868 -0.396 0.000 1.291 494 T HN 0.571 nan 8.240 nan 0.000 0.523 495 W N 0.609 121.860 121.300 -0.082 0.000 2.781 495 W HA 0.580 5.229 4.660 -0.017 0.000 0.333 495 W C -1.199 175.301 176.519 -0.032 0.000 1.047 495 W CA -1.147 56.175 57.345 -0.038 0.000 1.236 495 W CB 1.656 31.104 29.460 -0.021 0.000 1.394 495 W HN 0.585 nan 8.180 nan 0.000 0.466 496 I N 4.389 125.053 120.570 0.156 0.000 2.354 496 I HA 0.287 4.447 4.170 -0.018 0.000 0.292 496 I C -0.320 175.885 176.117 0.147 0.000 0.989 496 I CA -0.952 60.419 61.300 0.118 0.000 1.188 496 I CB 1.288 39.326 38.000 0.064 0.000 1.342 496 I HN 0.089 nan 8.210 nan 0.000 0.457 497 I N 6.236 126.899 120.570 0.155 0.000 2.312 497 I HA 0.270 4.429 4.170 -0.018 0.000 0.290 497 I C 0.368 176.573 176.117 0.146 0.000 1.008 497 I CA 0.292 61.678 61.300 0.142 0.000 1.226 497 I CB 1.194 39.271 38.000 0.128 0.000 1.371 497 I HN 0.584 nan 8.210 nan 0.000 0.468 498 S N 4.033 119.806 115.700 0.122 0.000 2.715 498 S HA 0.590 5.049 4.470 -0.018 0.000 0.307 498 S C -0.646 174.013 174.600 0.097 0.000 1.119 498 S CA -0.919 57.352 58.200 0.118 0.000 0.937 498 S CB 1.932 65.187 63.200 0.092 0.000 1.150 498 S HN 0.504 nan 8.310 nan 0.000 0.521 499 N N 1.792 120.542 118.700 0.084 0.000 2.564 499 N HA 0.367 5.096 4.740 -0.018 0.000 0.248 499 N C -1.984 173.548 175.510 0.037 0.000 0.986 499 N CA -2.343 50.741 53.050 0.057 0.000 0.921 499 N CB 1.470 39.983 38.487 0.043 0.000 1.136 499 N HN 0.379 nan 8.380 nan 0.000 0.509 500 P HA -0.082 nan 4.420 nan 0.000 0.226 500 P C 0.016 177.326 177.300 0.017 0.000 1.146 500 P CA 1.184 64.301 63.100 0.029 0.000 0.773 500 P CB 0.509 32.231 31.700 0.036 0.000 0.772 501 E N -1.131 119.077 120.200 0.013 0.000 2.498 501 E HA 0.138 4.478 4.350 -0.018 0.000 0.203 501 E C 0.195 176.786 176.600 -0.014 0.000 1.013 501 E CA -0.073 56.328 56.400 0.003 0.000 0.927 501 E CB 0.475 30.181 29.700 0.010 0.000 1.012 501 E HN -0.013 nan 8.360 nan 0.000 0.482 502 S N 1.260 116.946 115.700 -0.024 0.000 2.707 502 S HA 0.323 4.783 4.470 -0.018 0.000 0.312 502 S C -0.939 173.620 174.600 -0.068 0.000 1.116 502 S CA -0.690 57.476 58.200 -0.057 0.000 1.078 502 S CB 0.411 63.562 63.200 -0.082 0.000 0.997 502 S HN -0.031 nan 8.310 nan 0.000 0.477 503 K N 3.042 123.402 120.400 -0.068 0.000 2.203 503 K HA 0.415 4.724 4.320 -0.018 0.000 0.251 503 K C -0.027 176.522 176.600 -0.086 0.000 0.944 503 K CA -1.029 55.220 56.287 -0.063 0.000 0.829 503 K CB 0.997 33.474 32.500 -0.038 0.000 1.125 503 K HN 0.741 nan 8.250 nan 0.000 0.430 504 N N 0.834 119.484 118.700 -0.083 0.000 2.327 504 N HA -0.001 4.728 4.740 -0.018 0.000 0.257 504 N C 0.738 176.216 175.510 -0.053 0.000 1.281 504 N CA -0.390 52.608 53.050 -0.087 0.000 0.942 504 N CB 0.314 38.757 38.487 -0.074 0.000 1.199 504 N HN 0.594 nan 8.380 nan 0.000 0.532 505 R N -0.666 119.810 120.500 -0.041 0.000 2.241 505 R HA -0.016 4.314 4.340 -0.018 0.000 0.224 505 R C 0.506 176.794 176.300 -0.020 0.000 1.101 505 R CA 1.171 57.255 56.100 -0.027 0.000 0.995 505 R CB -0.727 29.563 30.300 -0.018 0.000 0.870 505 R HN 0.588 nan 8.270 nan 0.000 0.463 506 L N 1.120 122.331 121.223 -0.020 0.000 2.685 506 L HA 0.160 4.489 4.340 -0.018 0.000 0.233 506 L C 0.241 177.101 176.870 -0.016 0.000 1.173 506 L CA -0.175 54.656 54.840 -0.015 0.000 0.961 506 L CB -0.575 41.477 42.059 -0.012 0.000 1.217 506 L HN 0.403 nan 8.230 nan 0.000 0.478 507 N N 1.641 120.329 118.700 -0.020 0.000 2.735 507 N HA -0.161 4.568 4.740 -0.018 0.000 0.248 507 N C -0.389 175.112 175.510 -0.016 0.000 1.083 507 N CA 0.359 53.398 53.050 -0.019 0.000 0.703 507 N CB -0.029 38.449 38.487 -0.014 0.000 1.005 507 N HN 0.379 nan 8.380 nan 0.000 0.550 508 E N 0.230 120.419 120.200 -0.019 0.000 2.199 508 E HA 0.420 4.759 4.350 -0.018 0.000 0.269 508 E C -2.511 174.080 176.600 -0.016 0.000 0.899 508 E CA -1.752 54.641 56.400 -0.012 0.000 0.772 508 E CB 1.643 31.339 29.700 -0.007 0.000 1.155 508 E HN 0.111 nan 8.360 nan 0.000 0.408 509 P HA -0.053 nan 4.420 nan 0.000 0.263 509 P C -0.040 177.264 177.300 0.006 0.000 1.195 509 P CA -0.085 63.015 63.100 -0.000 0.000 0.762 509 P CB 0.376 32.088 31.700 0.019 0.000 0.799 510 V N 2.032 121.936 119.914 -0.017 0.000 2.872 510 V HA 0.684 4.793 4.120 -0.018 0.000 0.307 510 V C 0.568 176.753 176.094 0.151 0.000 1.072 510 V CA 0.336 62.639 62.300 0.005 0.000 1.148 510 V CB 0.171 31.878 31.823 -0.193 0.000 0.954 510 V HN 0.731 nan 8.190 nan 0.000 0.490 511 G N 2.317 111.262 108.800 0.243 0.000 2.608 511 G HA2 0.601 4.550 3.960 -0.018 0.000 0.291 511 G HA3 0.601 4.550 3.960 -0.018 0.000 0.291 511 G C -2.297 172.737 174.900 0.224 0.000 1.425 511 G CA -0.754 44.491 45.100 0.242 0.000 0.787 511 G HN 0.770 nan 8.290 nan 0.000 0.484 512 Y N -0.098 120.231 120.300 0.050 0.000 2.457 512 Y HA 0.612 5.152 4.550 -0.017 0.000 0.343 512 Y C 0.087 176.014 175.900 0.045 0.000 0.994 512 Y CA -0.792 57.319 58.100 0.018 0.000 1.031 512 Y CB 2.782 41.220 38.460 -0.037 0.000 1.246 512 Y HN 0.512 nan 8.280 nan 0.000 0.449 513 K N 4.020 124.480 120.400 0.099 0.000 2.235 513 K HA 0.529 4.838 4.320 -0.018 0.000 0.266 513 K C -1.660 174.950 176.600 0.018 0.000 0.980 513 K CA -0.870 55.428 56.287 0.018 0.000 0.849 513 K CB 1.010 33.455 32.500 -0.092 0.000 1.098 513 K HN 0.625 nan 8.250 nan 0.000 0.445 514 L N 5.141 126.382 121.223 0.029 0.000 2.260 514 L HA 0.281 4.611 4.340 -0.018 0.000 0.289 514 L C -1.347 175.506 176.870 -0.028 0.000 1.057 514 L CA 0.078 54.975 54.840 0.096 0.000 0.811 514 L CB 0.391 42.537 42.059 0.145 0.000 1.184 514 L HN 0.654 nan 8.230 nan 0.000 0.429 515 H N 4.621 123.813 119.070 0.204 0.000 2.597 515 H HA 0.686 5.231 4.556 -0.018 0.000 0.303 515 H C 0.013 175.494 175.328 0.254 0.000 1.057 515 H CA 0.008 56.169 56.048 0.189 0.000 1.261 515 H CB 1.166 31.022 29.762 0.158 0.000 1.397 515 H HN 0.880 nan 8.280 nan 0.000 0.461 516 A N 2.282 125.311 122.820 0.348 0.000 2.279 516 A HA 0.201 4.511 4.320 -0.018 0.000 0.303 516 A C 0.418 178.308 177.584 0.511 0.000 1.108 516 A CA -0.563 51.715 52.037 0.402 0.000 0.830 516 A CB 0.496 19.768 19.000 0.454 0.000 1.106 516 A HN 1.008 nan 8.150 nan 0.000 0.493 517 H N 0.710 119.973 119.070 0.322 0.000 2.548 517 H HA -0.003 4.542 4.556 -0.018 0.000 0.268 517 H C -0.135 175.323 175.328 0.217 0.000 0.975 517 H CA 0.277 56.465 56.048 0.233 0.000 1.195 517 H CB 0.173 30.064 29.762 0.215 0.000 1.397 517 H HN 0.753 nan 8.280 nan 0.000 0.572 518 N N 1.941 120.874 118.700 0.387 0.000 2.758 518 N HA -0.158 4.571 4.740 -0.018 0.000 0.248 518 N C -0.645 175.004 175.510 0.231 0.000 1.076 518 N CA 0.513 53.737 53.050 0.290 0.000 0.696 518 N CB -0.893 37.725 38.487 0.217 0.000 0.979 518 N HN 0.497 nan 8.380 nan 0.000 0.550 519 Q N -0.108 119.844 119.800 0.252 0.000 2.368 519 Q HA 0.382 4.712 4.340 -0.018 0.000 0.237 519 Q C -1.837 174.246 176.000 0.139 0.000 0.987 519 Q CA -1.136 54.779 55.803 0.187 0.000 0.896 519 Q CB 0.184 29.045 28.738 0.204 0.000 1.241 519 Q HN 0.132 nan 8.270 nan 0.000 0.485 520 P HA -0.009 nan 4.420 nan 0.000 0.266 520 P C -0.162 177.156 177.300 0.030 0.000 1.195 520 P CA 0.263 63.397 63.100 0.057 0.000 0.768 520 P CB 0.475 32.195 31.700 0.034 0.000 0.838 521 T N 0.507 115.073 114.554 0.020 0.000 2.924 521 T HA 0.288 4.627 4.350 -0.018 0.000 0.301 521 T C 0.326 174.984 174.700 -0.070 0.000 1.120 521 T CA -0.858 61.232 62.100 -0.017 0.000 0.940 521 T CB -0.005 68.868 68.868 0.007 0.000 1.591 521 T HN 0.179 nan 8.240 nan 0.000 0.578 522 L N 1.057 122.212 121.223 -0.115 0.000 2.584 522 L HA 0.161 4.491 4.340 -0.018 0.000 0.272 522 L C 0.879 177.695 176.870 -0.091 0.000 1.195 522 L CA 0.252 55.007 54.840 -0.143 0.000 0.920 522 L CB -0.358 41.586 42.059 -0.192 0.000 1.173 522 L HN 0.619 nan 8.230 nan 0.000 0.489 523 L N 5.019 126.188 121.223 -0.090 0.000 2.375 523 L HA 0.195 4.524 4.340 -0.018 0.000 0.215 523 L C 1.426 178.274 176.870 -0.035 0.000 1.108 523 L CA 0.227 55.038 54.840 -0.049 0.000 0.830 523 L CB -0.523 41.510 42.059 -0.042 0.000 0.959 523 L HN 0.833 nan 8.230 nan 0.000 0.457 524 A N 0.701 123.489 122.820 -0.053 0.000 2.555 524 A HA -0.105 4.204 4.320 -0.018 0.000 0.233 524 A C 0.315 177.888 177.584 -0.017 0.000 1.060 524 A CA -0.074 51.944 52.037 -0.031 0.000 0.759 524 A CB -0.076 18.900 19.000 -0.040 0.000 0.995 524 A HN 0.277 nan 8.150 nan 0.000 0.506 525 D N 2.373 122.772 120.400 -0.001 0.000 2.472 525 D HA 0.005 4.634 4.640 -0.018 0.000 0.237 525 D C -1.127 175.171 176.300 -0.004 0.000 1.141 525 D CA -0.780 53.222 54.000 0.003 0.000 0.875 525 D CB 0.853 41.660 40.800 0.012 0.000 1.192 525 D HN 0.295 nan 8.370 nan 0.000 0.450 526 P HA -0.089 nan 4.420 nan 0.000 0.221 526 P C 1.004 178.299 177.300 -0.009 0.000 1.145 526 P CA 0.819 63.914 63.100 -0.009 0.000 0.795 526 P CB 0.106 31.802 31.700 -0.007 0.000 0.775 527 G N -0.035 108.762 108.800 -0.004 0.000 3.141 527 G HA2 0.035 3.985 3.960 -0.018 0.000 0.218 527 G HA3 0.035 3.985 3.960 -0.018 0.000 0.218 527 G C 0.607 175.506 174.900 -0.001 0.000 1.170 527 G CA 0.079 45.176 45.100 -0.005 0.000 0.769 527 G HN 0.437 nan 8.290 nan 0.000 0.546 528 S N -0.660 115.043 115.700 0.005 0.000 2.603 528 S HA 0.332 4.791 4.470 -0.018 0.000 0.268 528 S C 1.580 176.180 174.600 -0.000 0.000 1.317 528 S CA 0.426 58.641 58.200 0.024 0.000 1.012 528 S CB 1.727 64.950 63.200 0.038 0.000 0.926 528 S HN 0.080 nan 8.310 nan 0.000 0.539 529 S N 0.841 116.545 115.700 0.006 0.000 2.356 529 S HA -0.156 4.303 4.470 -0.018 0.000 0.223 529 S C 1.695 176.261 174.600 -0.057 0.000 1.032 529 S CA 1.304 59.442 58.200 -0.103 0.000 1.005 529 S CB -0.823 62.184 63.200 -0.321 0.000 0.867 529 S HN 0.723 nan 8.310 nan 0.000 0.449 530 I N 2.047 122.630 120.570 0.022 0.000 2.286 530 I HA 0.009 4.168 4.170 -0.018 0.000 0.248 530 I C 2.347 178.461 176.117 -0.005 0.000 1.115 530 I CA 1.290 62.613 61.300 0.039 0.000 1.392 530 I CB -1.001 37.015 38.000 0.027 0.000 1.065 530 I HN 0.336 nan 8.210 nan 0.000 0.418 531 A N 0.041 122.845 122.820 -0.026 0.000 1.933 531 A HA -0.203 4.106 4.320 -0.018 0.000 0.218 531 A C 2.314 179.874 177.584 -0.040 0.000 1.175 531 A CA 1.655 53.665 52.037 -0.045 0.000 0.628 531 A CB -0.504 18.476 19.000 -0.033 0.000 0.814 531 A HN 0.364 nan 8.150 nan 0.000 0.444 532 R N -0.416 120.059 120.500 -0.042 0.000 2.075 532 R HA 0.087 4.416 4.340 -0.018 0.000 0.226 532 R C 2.270 178.532 176.300 -0.064 0.000 1.114 532 R CA 1.469 57.532 56.100 -0.061 0.000 0.972 532 R CB -0.418 29.830 30.300 -0.087 0.000 0.869 532 R HN 0.562 nan 8.270 nan 0.000 0.437 533 R N -0.380 120.098 120.500 -0.038 0.000 2.115 533 R HA 0.122 4.451 4.340 -0.018 0.000 0.226 533 R C 0.656 177.046 176.300 0.151 0.000 1.100 533 R CA 1.274 57.367 56.100 -0.012 0.000 0.980 533 R CB 0.078 30.387 30.300 0.015 0.000 0.875 533 R HN 0.078 nan 8.270 nan 0.000 0.445 534 A N 0.310 123.233 122.820 0.172 0.000 3.106 534 A HA 0.491 4.800 4.320 -0.018 0.000 0.306 534 A C 1.248 178.712 177.584 -0.201 0.000 1.192 534 A CA -0.017 52.078 52.037 0.096 0.000 0.994 534 A CB 0.185 19.134 19.000 -0.086 0.000 1.107 534 A HN 0.260 nan 8.150 nan 0.000 0.585 535 A N 0.385 123.173 122.820 -0.053 0.000 1.986 535 A HA -0.091 4.219 4.320 -0.018 0.000 0.220 535 A C 1.801 179.380 177.584 -0.008 0.000 1.171 535 A CA 1.873 53.888 52.037 -0.037 0.000 0.640 535 A CB -0.942 18.049 19.000 -0.016 0.000 0.811 535 A HN 1.336 nan 8.150 nan 0.000 0.451 536 F N -0.264 119.570 119.950 -0.193 0.000 2.202 536 F HA 0.054 4.570 4.527 -0.018 0.000 0.301 536 F C 2.036 177.914 175.800 0.130 0.000 1.082 536 F CA 0.802 58.614 58.000 -0.313 0.000 1.313 536 F CB -0.914 37.770 39.000 -0.528 0.000 1.024 536 F HN 0.146 nan 8.300 nan 0.000 0.495 537 A N 0.468 122.635 122.820 -1.087 0.000 2.239 537 A HA -0.004 4.305 4.320 -0.018 0.000 0.209 537 A C 2.075 179.518 177.584 -0.236 0.000 1.171 537 A CA 1.279 52.873 52.037 -0.739 0.000 0.768 537 A CB -1.497 16.894 19.000 -1.016 0.000 0.790 537 A HN 0.580 nan 8.150 nan 0.000 0.478 538 T N -3.770 110.739 114.554 -0.074 0.000 3.100 538 T HA 0.208 4.547 4.350 -0.018 0.000 0.253 538 T C 0.583 175.304 174.700 0.035 0.000 1.118 538 T CA 0.199 62.294 62.100 -0.009 0.000 1.058 538 T CB 0.123 68.998 68.868 0.013 0.000 0.953 538 T HN 0.078 nan 8.240 nan 0.000 0.515 539 K N 0.936 121.407 120.400 0.119 0.000 2.469 539 K HA 0.403 4.712 4.320 -0.018 0.000 0.254 539 K C -0.474 176.182 176.600 0.093 0.000 0.939 539 K CA -0.518 55.761 56.287 -0.012 0.000 0.812 539 K CB 2.141 34.404 32.500 -0.394 0.000 1.301 539 K HN -0.054 nan 8.250 nan 0.000 0.433 540 D N 0.297 120.714 120.400 0.028 0.000 2.194 540 D HA -0.014 4.615 4.640 -0.018 0.000 0.204 540 D C 0.006 176.350 176.300 0.073 0.000 0.964 540 D CA 0.808 54.872 54.000 0.107 0.000 0.846 540 D CB 0.313 41.218 40.800 0.175 0.000 0.962 540 D HN 0.116 nan 8.370 nan 0.000 0.490 541 L N -0.440 120.667 121.223 -0.192 0.000 2.455 541 L HA 0.471 4.801 4.340 -0.018 0.000 0.264 541 L C -2.014 174.727 176.870 -0.214 0.000 0.968 541 L CA -0.617 54.078 54.840 -0.242 0.000 0.827 541 L CB 1.569 43.045 42.059 -0.970 0.000 1.317 541 L HN -0.124 nan 8.230 nan 0.000 0.407 542 W N 4.037 125.334 121.300 -0.004 0.000 2.915 542 W HA 0.771 5.420 4.660 -0.018 0.000 0.337 542 W C -1.253 175.383 176.519 0.196 0.000 1.102 542 W CA -0.815 56.569 57.345 0.065 0.000 1.224 542 W CB 2.037 31.516 29.460 0.032 0.000 1.416 542 W HN 0.175 nan 8.180 nan 0.000 0.503 543 V N 2.499 122.641 119.914 0.379 0.000 2.577 543 V HA 0.732 4.842 4.120 -0.018 0.000 0.303 543 V C -0.101 176.200 176.094 0.345 0.000 1.042 543 V CA -0.829 61.676 62.300 0.342 0.000 0.872 543 V CB 1.476 33.411 31.823 0.186 0.000 0.998 543 V HN 0.591 nan 8.190 nan 0.000 0.423 544 T N 1.451 116.254 114.554 0.414 0.000 2.916 544 T HA 0.759 5.098 4.350 -0.018 0.000 0.292 544 T C -0.478 174.364 174.700 0.237 0.000 1.064 544 T CA -0.965 61.332 62.100 0.328 0.000 1.011 544 T CB 2.139 71.257 68.868 0.417 0.000 1.152 544 T HN 0.518 nan 8.240 nan 0.000 0.510 545 R N 0.842 121.439 120.500 0.160 0.000 2.340 545 R HA 0.340 4.670 4.340 -0.018 0.000 0.300 545 R C -0.864 175.497 176.300 0.101 0.000 1.069 545 R CA -0.938 55.236 56.100 0.123 0.000 0.984 545 R CB -0.534 29.814 30.300 0.081 0.000 1.003 545 R HN 0.774 nan 8.270 nan 0.000 0.459 546 Y N 3.206 123.508 120.300 0.003 0.000 2.712 546 Y HA 0.289 4.828 4.550 -0.018 0.000 0.333 546 Y C -0.788 175.062 175.900 -0.083 0.000 1.225 546 Y CA 0.816 58.886 58.100 -0.049 0.000 1.499 546 Y CB 0.441 38.840 38.460 -0.102 0.000 1.288 546 Y HN 0.736 nan 8.280 nan 0.000 0.575 547 A N 4.835 126.996 122.820 -1.097 0.000 2.459 547 A HA 0.300 4.610 4.320 -0.018 0.000 0.296 547 A C 0.038 176.966 177.584 -1.093 0.000 1.039 547 A CA -0.334 51.184 52.037 -0.866 0.000 0.698 547 A CB 0.627 19.339 19.000 -0.479 0.000 1.261 547 A HN 0.828 nan 8.150 nan 0.000 0.405 548 D N 1.378 121.328 120.400 -0.750 0.000 2.309 548 D HA -0.158 4.471 4.640 -0.018 0.000 0.212 548 D C 0.512 176.625 176.300 -0.312 0.000 0.968 548 D CA 1.537 55.285 54.000 -0.420 0.000 0.882 548 D CB 0.066 40.802 40.800 -0.105 0.000 0.918 548 D HN 0.536 nan 8.370 nan 0.000 0.503 549 D N -0.186 120.016 120.400 -0.329 0.000 2.368 549 D HA -0.013 4.616 4.640 -0.018 0.000 0.218 549 D C -0.273 175.814 176.300 -0.356 0.000 1.112 549 D CA -0.253 53.590 54.000 -0.261 0.000 0.834 549 D CB -0.562 40.133 40.800 -0.176 0.000 0.953 549 D HN 0.237 nan 8.370 nan 0.000 0.505 550 E N 0.752 120.658 120.200 -0.490 0.000 2.400 550 E HA 0.322 4.661 4.350 -0.018 0.000 0.232 550 E C 0.544 176.996 176.600 -0.247 0.000 0.988 550 E CA -0.266 55.751 56.400 -0.638 0.000 0.823 550 E CB 1.163 30.284 29.700 -0.964 0.000 1.246 550 E HN 0.083 nan 8.360 nan 0.000 0.441 551 R N 0.849 121.175 120.500 -0.290 0.000 2.146 551 R HA 0.112 4.442 4.340 -0.018 0.000 0.206 551 R C -0.093 175.918 176.300 -0.482 0.000 1.049 551 R CA 0.701 56.477 56.100 -0.539 0.000 1.029 551 R CB 0.518 30.153 30.300 -1.109 0.000 0.949 551 R HN 0.269 nan 8.270 nan 0.000 0.471 552 Y N -0.081 120.332 120.300 0.189 0.000 2.446 552 Y HA 0.297 4.836 4.550 -0.018 0.000 0.345 552 Y C -1.776 174.084 175.900 -0.067 0.000 0.984 552 Y CA -3.176 54.983 58.100 0.099 0.000 1.058 552 Y CB 1.174 39.586 38.460 -0.079 0.000 1.220 552 Y HN -0.146 nan 8.280 nan 0.000 0.455 553 P HA -0.099 nan 4.420 nan 0.000 0.226 553 P C 0.679 177.690 177.300 -0.481 0.000 1.153 553 P CA 1.514 64.235 63.100 -0.632 0.000 0.777 553 P CB 0.147 31.360 31.700 -0.811 0.000 0.794 554 T N -4.837 109.549 114.554 -0.280 0.000 3.054 554 T HA 0.505 4.844 4.350 -0.018 0.000 0.255 554 T C 0.915 175.524 174.700 -0.151 0.000 1.035 554 T CA 0.110 62.092 62.100 -0.197 0.000 0.941 554 T CB -0.079 68.676 68.868 -0.189 0.000 1.026 554 T HN 0.339 nan 8.240 nan 0.000 0.533 555 G N 1.406 110.157 108.800 -0.081 0.000 2.757 555 G HA2 -0.163 3.787 3.960 -0.018 0.000 0.638 555 G HA3 -0.163 3.787 3.960 -0.018 0.000 0.638 555 G C -0.229 174.643 174.900 -0.047 0.000 1.344 555 G CA -0.134 44.950 45.100 -0.026 0.000 0.855 555 G HN 0.149 nan 8.290 nan 0.000 0.537 556 D N -0.598 119.672 120.400 -0.218 0.000 2.183 556 D HA 0.100 4.730 4.640 -0.018 0.000 0.203 556 D C 0.871 176.598 176.300 -0.955 0.000 0.969 556 D CA 1.417 55.072 54.000 -0.576 0.000 0.842 556 D CB -0.057 40.138 40.800 -1.007 0.000 0.957 556 D HN 0.235 nan 8.370 nan 0.000 0.484 557 F N -0.034 119.752 119.950 -0.274 0.000 2.434 557 F HA 0.238 4.754 4.527 -0.018 0.000 0.367 557 F C 1.030 176.646 175.800 -0.305 0.000 1.093 557 F CA -0.688 57.107 58.000 -0.342 0.000 1.085 557 F CB 1.388 40.119 39.000 -0.447 0.000 1.322 557 F HN -0.356 nan 8.300 nan 0.000 0.452 558 V N 0.152 119.976 119.914 -0.150 0.000 2.500 558 V HA -0.092 4.017 4.120 -0.018 0.000 0.243 558 V C 1.127 177.111 176.094 -0.182 0.000 1.039 558 V CA 0.373 62.527 62.300 -0.243 0.000 1.053 558 V CB -0.471 31.078 31.823 -0.457 0.000 0.695 558 V HN 0.669 nan 8.190 nan 0.000 0.463 559 N N 1.689 120.321 118.700 -0.112 0.000 2.315 559 N HA -0.093 4.636 4.740 -0.018 0.000 0.270 559 N C 0.475 175.968 175.510 -0.028 0.000 1.329 559 N CA 0.751 53.762 53.050 -0.064 0.000 0.860 559 N CB -0.313 38.148 38.487 -0.044 0.000 1.095 559 N HN 0.474 nan 8.380 nan 0.000 0.487 560 Q N 0.052 119.839 119.800 -0.021 0.000 2.435 560 Q HA -0.309 4.020 4.340 -0.018 0.000 0.286 560 Q C -1.011 174.990 176.000 0.002 0.000 1.229 560 Q CA 0.878 56.670 55.803 -0.017 0.000 0.884 560 Q CB -1.709 27.021 28.738 -0.013 0.000 1.245 560 Q HN 0.687 nan 8.270 nan 0.000 0.488 561 H N -0.158 118.828 119.070 -0.141 0.000 2.481 561 H HA 0.485 5.030 4.556 -0.018 0.000 0.333 561 H C 0.151 175.384 175.328 -0.158 0.000 1.066 561 H CA 0.006 55.971 56.048 -0.139 0.000 1.209 561 H CB 0.956 30.638 29.762 -0.133 0.000 1.445 561 H HN 0.230 nan 8.280 nan 0.000 0.488 562 S N 2.762 118.095 115.700 -0.612 0.000 2.625 562 S HA 0.390 4.849 4.470 -0.018 0.000 0.258 562 S C 0.953 175.171 174.600 -0.637 0.000 1.256 562 S CA -0.348 57.551 58.200 -0.502 0.000 0.983 562 S CB 0.338 63.330 63.200 -0.347 0.000 1.032 562 S HN 0.825 nan 8.310 nan 0.000 0.572 563 G N -1.845 106.734 108.800 -0.368 0.000 2.606 563 G HA2 0.493 4.442 3.960 -0.018 0.000 0.252 563 G HA3 0.493 4.442 3.960 -0.018 0.000 0.252 563 G C 0.789 175.531 174.900 -0.263 0.000 1.206 563 G CA -0.329 44.603 45.100 -0.280 0.000 0.861 563 G HN 1.852 nan 8.290 nan 0.000 0.561 564 G N -1.644 107.055 108.800 -0.169 0.000 2.813 564 G HA2 0.383 4.332 3.960 -0.018 0.000 0.194 564 G HA3 0.383 4.332 3.960 -0.018 0.000 0.194 564 G C 0.335 175.206 174.900 -0.049 0.000 1.010 564 G CA 0.729 45.775 45.100 -0.091 0.000 0.771 564 G HN 1.686 nan 8.290 nan 0.000 0.485 565 A N -0.428 122.365 122.820 -0.045 0.000 2.578 565 A HA 1.079 5.388 4.320 -0.018 0.000 0.255 565 A C 1.350 178.733 177.584 -0.336 0.000 1.251 565 A CA 0.867 52.848 52.037 -0.092 0.000 0.882 565 A CB 0.544 19.576 19.000 0.052 0.000 1.416 565 A HN 2.229 nan 8.150 nan 0.000 0.462 566 G N -1.819 106.646 108.800 -0.558 0.000 2.698 566 G HA2 -0.131 3.818 3.960 -0.018 0.000 0.233 566 G HA3 -0.131 3.818 3.960 -0.018 0.000 0.233 566 G C 0.729 174.696 174.900 -1.556 0.000 1.352 566 G CA 0.084 44.619 45.100 -0.942 0.000 0.879 566 G HN 1.253 nan 8.290 nan 0.000 0.567 567 L N 0.894 121.376 121.223 -1.234 0.000 2.021 567 L HA -0.143 4.187 4.340 -0.018 0.000 0.215 567 L C 0.343 176.853 176.870 -0.600 0.000 1.074 567 L CA 2.720 56.927 54.840 -1.054 0.000 0.760 567 L CB -1.337 39.883 42.059 -1.399 0.000 0.889 567 L HN 0.452 nan 8.230 nan 0.000 0.433 568 P HA -0.166 nan 4.420 nan 0.000 0.218 568 P C 1.787 179.008 177.300 -0.132 0.000 1.148 568 P CA 1.835 64.858 63.100 -0.128 0.000 0.822 568 P CB -0.023 31.620 31.700 -0.096 0.000 0.784 569 S N -2.494 113.049 115.700 -0.262 0.000 2.395 569 S HA -0.143 4.316 4.470 -0.018 0.000 0.225 569 S C 1.868 176.472 174.600 0.006 0.000 1.027 569 S CA 0.683 58.804 58.200 -0.131 0.000 0.965 569 S CB -1.535 61.584 63.200 -0.136 0.000 0.812 569 S HN -0.008 nan 8.310 nan 0.000 0.482 570 Y N 2.400 122.640 120.300 -0.099 0.000 2.114 570 Y HA 0.058 4.597 4.550 -0.018 0.000 0.284 570 Y C 2.580 178.463 175.900 -0.028 0.000 1.143 570 Y CA -0.334 57.715 58.100 -0.086 0.000 1.135 570 Y CB -1.183 37.185 38.460 -0.154 0.000 0.980 570 Y HN 0.195 nan 8.280 nan 0.000 0.499 571 I N 0.226 120.885 120.570 0.148 0.000 2.248 571 I HA -0.300 3.859 4.170 -0.018 0.000 0.248 571 I C 2.489 178.664 176.117 0.098 0.000 1.107 571 I CA 1.506 62.891 61.300 0.140 0.000 1.373 571 I CB -1.676 36.438 38.000 0.190 0.000 1.055 571 I HN 0.155 nan 8.210 nan 0.000 0.418 572 A N 0.191 123.054 122.820 0.073 0.000 2.076 572 A HA -0.238 4.071 4.320 -0.018 0.000 0.220 572 A C 2.165 179.780 177.584 0.050 0.000 1.160 572 A CA 1.298 53.366 52.037 0.051 0.000 0.653 572 A CB -0.629 18.390 19.000 0.033 0.000 0.801 572 A HN 0.553 nan 8.150 nan 0.000 0.455 573 Q N -1.387 118.450 119.800 0.062 0.000 2.364 573 Q HA -0.126 4.203 4.340 -0.018 0.000 0.209 573 Q C 0.203 176.231 176.000 0.047 0.000 0.977 573 Q CA 0.583 56.416 55.803 0.050 0.000 0.885 573 Q CB -0.116 28.652 28.738 0.050 0.000 0.941 573 Q HN 0.630 nan 8.270 nan 0.000 0.464 574 D N 0.628 121.061 120.400 0.057 0.000 2.686 574 D HA -0.175 4.454 4.640 -0.018 0.000 0.235 574 D C -0.923 175.408 176.300 0.051 0.000 1.160 574 D CA 0.604 54.636 54.000 0.053 0.000 0.645 574 D CB -0.564 40.261 40.800 0.041 0.000 1.039 574 D HN 0.221 nan 8.370 nan 0.000 0.423 575 R N 0.333 120.868 120.500 0.058 0.000 2.637 575 R HA 0.318 4.647 4.340 -0.018 0.000 0.269 575 R C 0.234 176.570 176.300 0.059 0.000 1.089 575 R CA -0.567 55.565 56.100 0.053 0.000 1.177 575 R CB 0.399 30.729 30.300 0.051 0.000 1.091 575 R HN 0.152 nan 8.270 nan 0.000 0.540 576 D N 1.886 122.318 120.400 0.053 0.000 2.371 576 D HA 0.040 4.669 4.640 -0.018 0.000 0.256 576 D C 0.485 176.826 176.300 0.069 0.000 1.193 576 D CA -0.036 53.998 54.000 0.056 0.000 0.881 576 D CB 0.568 41.396 40.800 0.047 0.000 1.143 576 D HN 0.543 nan 8.370 nan 0.000 0.473 577 I N -0.104 120.512 120.570 0.076 0.000 4.147 577 I HA 0.335 4.495 4.170 -0.018 0.000 0.329 577 I C 0.205 176.373 176.117 0.085 0.000 1.424 577 I CA -0.496 60.858 61.300 0.090 0.000 1.127 577 I CB 0.498 38.562 38.000 0.106 0.000 1.128 577 I HN 0.066 nan 8.210 nan 0.000 0.417 578 D N 3.030 123.473 120.400 0.072 0.000 2.483 578 D HA 0.348 4.977 4.640 -0.018 0.000 0.220 578 D C 1.066 177.403 176.300 0.063 0.000 1.173 578 D CA 0.519 54.559 54.000 0.066 0.000 0.964 578 D CB 0.341 41.175 40.800 0.056 0.000 1.046 578 D HN 0.550 nan 8.370 nan 0.000 0.517 579 G N 3.226 112.068 108.800 0.070 0.000 2.370 579 G HA2 -0.176 3.773 3.960 -0.018 0.000 0.268 579 G HA3 -0.176 3.773 3.960 -0.018 0.000 0.268 579 G C -0.133 174.810 174.900 0.072 0.000 1.122 579 G CA -0.296 44.845 45.100 0.067 0.000 0.963 579 G HN 0.483 nan 8.290 nan 0.000 0.500 580 Q N -0.768 119.084 119.800 0.086 0.000 2.687 580 Q HA 0.380 4.710 4.340 -0.018 0.000 0.305 580 Q C -1.046 175.023 176.000 0.115 0.000 1.006 580 Q CA -0.925 54.931 55.803 0.089 0.000 0.763 580 Q CB 0.959 29.745 28.738 0.079 0.000 1.506 580 Q HN 0.234 nan 8.270 nan 0.000 0.459 581 D N 1.949 122.411 120.400 0.104 0.000 2.359 581 D HA 0.293 4.922 4.640 -0.018 0.000 0.250 581 D C -0.360 176.021 176.300 0.136 0.000 1.264 581 D CA 0.074 54.136 54.000 0.104 0.000 0.911 581 D CB -0.310 40.449 40.800 -0.068 0.000 1.056 581 D HN 0.434 nan 8.370 nan 0.000 0.499 582 I N 0.043 120.706 120.570 0.155 0.000 2.957 582 I HA 0.695 4.854 4.170 -0.018 0.000 0.310 582 I C -0.997 175.195 176.117 0.124 0.000 1.063 582 I CA -1.063 60.327 61.300 0.150 0.000 1.033 582 I CB 2.245 40.326 38.000 0.135 0.000 1.230 582 I HN -0.089 nan 8.210 nan 0.000 0.447 583 V N 3.575 123.556 119.914 0.111 0.000 2.638 583 V HA 0.414 4.523 4.120 -0.018 0.000 0.306 583 V C -0.224 175.845 176.094 -0.042 0.000 1.052 583 V CA -0.651 61.626 62.300 -0.039 0.000 0.885 583 V CB 1.842 33.585 31.823 -0.133 0.000 0.999 583 V HN 0.574 nan 8.190 nan 0.000 0.424 584 V N 3.613 123.444 119.914 -0.137 0.000 2.427 584 V HA 0.474 4.584 4.120 -0.018 0.000 0.286 584 V C -1.119 174.903 176.094 -0.120 0.000 1.034 584 V CA -0.451 61.839 62.300 -0.016 0.000 0.893 584 V CB 1.657 33.473 31.823 -0.012 0.000 0.982 584 V HN 0.919 nan 8.190 nan 0.000 0.452 585 W N 4.038 125.391 121.300 0.087 0.000 2.336 585 W HA 0.463 5.113 4.660 -0.018 0.000 0.315 585 W C 0.044 176.667 176.519 0.174 0.000 1.016 585 W CA -0.452 56.948 57.345 0.091 0.000 1.318 585 W CB 0.470 29.958 29.460 0.047 0.000 1.247 585 W HN 0.569 nan 8.180 nan 0.000 0.414 586 H N 2.337 121.497 119.070 0.151 0.000 2.504 586 H HA 0.399 4.944 4.556 -0.018 0.000 0.322 586 H C -0.547 174.963 175.328 0.304 0.000 1.055 586 H CA -0.266 55.839 56.048 0.096 0.000 1.231 586 H CB 1.182 30.808 29.762 -0.225 0.000 1.417 586 H HN 0.156 nan 8.280 nan 0.000 0.472 587 T N 7.057 121.612 114.554 0.003 0.000 2.771 587 T HA 0.309 4.648 4.350 -0.018 0.000 0.291 587 T C -0.860 173.741 174.700 -0.166 0.000 0.954 587 T CA -0.329 61.789 62.100 0.029 0.000 1.045 587 T CB -0.162 68.819 68.868 0.188 0.000 0.917 587 T HN 0.477 nan 8.240 nan 0.000 0.484 588 F N 0.079 119.930 119.950 -0.165 0.000 2.615 588 F HA 0.830 5.347 4.527 -0.017 0.000 0.312 588 F C -0.273 175.634 175.800 0.177 0.000 1.119 588 F CA -1.084 56.885 58.000 -0.053 0.000 0.979 588 F CB 1.026 39.969 39.000 -0.096 0.000 1.266 588 F HN 0.777 nan 8.300 nan 0.000 0.444 589 G N 2.066 110.975 108.800 0.181 0.000 2.600 589 G HA2 0.628 4.577 3.960 -0.018 0.000 0.293 589 G HA3 0.628 4.577 3.960 -0.018 0.000 0.293 589 G C -2.389 172.584 174.900 0.121 0.000 1.408 589 G CA -1.174 44.011 45.100 0.141 0.000 0.782 589 G HN 0.820 nan 8.290 nan 0.000 0.482 590 L N 0.266 121.511 121.223 0.037 0.000 2.325 590 L HA 0.622 4.951 4.340 -0.018 0.000 0.278 590 L C -0.146 176.586 176.870 -0.230 0.000 1.023 590 L CA -0.694 54.104 54.840 -0.071 0.000 0.811 590 L CB 2.384 44.321 42.059 -0.203 0.000 1.249 590 L HN 0.406 nan 8.230 nan 0.000 0.431 591 T N 0.599 115.035 114.554 -0.196 0.000 2.772 591 T HA 0.375 4.714 4.350 -0.018 0.000 0.288 591 T C -0.658 173.829 174.700 -0.354 0.000 0.994 591 T CA -0.448 61.446 62.100 -0.344 0.000 0.951 591 T CB 0.225 68.936 68.868 -0.261 0.000 0.933 591 T HN 0.418 nan 8.240 nan 0.000 0.447 592 H N 2.099 120.749 119.070 -0.701 0.000 2.476 592 H HA 0.374 4.920 4.556 -0.018 0.000 0.328 592 H C -0.938 173.870 175.328 -0.867 0.000 1.073 592 H CA -0.898 54.742 56.048 -0.680 0.000 1.229 592 H CB 0.966 30.347 29.762 -0.635 0.000 1.432 592 H HN 0.461 nan 8.280 nan 0.000 0.477 593 F N 3.812 123.625 119.950 -0.229 0.000 2.451 593 F HA 0.263 4.779 4.527 -0.018 0.000 0.367 593 F C -2.138 173.622 175.800 -0.066 0.000 1.100 593 F CA -2.527 55.239 58.000 -0.390 0.000 1.171 593 F CB 0.681 39.314 39.000 -0.611 0.000 1.405 593 F HN 0.394 nan 8.300 nan 0.000 0.482 594 P HA 0.043 nan 4.420 nan 0.000 0.264 594 P C -0.299 177.094 177.300 0.154 0.000 1.179 594 P CA 0.277 63.483 63.100 0.177 0.000 0.763 594 P CB 0.631 32.494 31.700 0.272 0.000 0.806 595 R N 1.540 122.096 120.500 0.093 0.000 2.758 595 R HA 0.337 4.667 4.340 -0.018 0.000 0.265 595 R C 1.170 177.521 176.300 0.086 0.000 1.016 595 R CA -1.003 55.139 56.100 0.072 0.000 1.040 595 R CB 0.620 30.944 30.300 0.040 0.000 1.152 595 R HN 0.102 nan 8.270 nan 0.000 0.503 596 V N 1.325 121.278 119.914 0.065 0.000 2.469 596 V HA -0.228 3.881 4.120 -0.018 0.000 0.251 596 V C 1.404 177.571 176.094 0.121 0.000 1.064 596 V CA 1.844 64.198 62.300 0.091 0.000 1.066 596 V CB -0.560 31.295 31.823 0.053 0.000 0.667 596 V HN 0.708 nan 8.190 nan 0.000 0.461 597 E N -0.019 120.225 120.200 0.074 0.000 2.338 597 E HA -0.151 4.188 4.350 -0.018 0.000 0.197 597 E C 1.639 178.272 176.600 0.055 0.000 1.007 597 E CA 0.811 57.242 56.400 0.052 0.000 0.849 597 E CB -0.223 29.491 29.700 0.022 0.000 0.774 597 E HN 0.583 nan 8.360 nan 0.000 0.506 598 D N -1.018 119.438 120.400 0.093 0.000 2.355 598 D HA -0.058 4.572 4.640 -0.018 0.000 0.218 598 D C -0.258 176.151 176.300 0.181 0.000 1.004 598 D CA 0.245 54.303 54.000 0.096 0.000 0.880 598 D CB 0.159 41.018 40.800 0.098 0.000 0.911 598 D HN 0.218 nan 8.370 nan 0.000 0.528 599 W N 2.343 123.641 121.300 -0.002 0.000 2.606 599 W HA 0.208 4.858 4.660 -0.018 0.000 0.332 599 W C -1.886 174.642 176.519 0.015 0.000 1.052 599 W CA -1.990 55.362 57.345 0.012 0.000 1.223 599 W CB 2.101 31.573 29.460 0.019 0.000 1.383 599 W HN -0.200 nan 8.180 nan 0.000 0.524 600 P HA 0.093 nan 4.420 nan 0.000 0.236 600 P C -0.036 176.815 177.300 -0.748 0.000 1.177 600 P CA 0.824 63.038 63.100 -1.477 0.000 0.773 600 P CB 1.391 32.472 31.700 -1.031 0.000 0.878 601 I N -0.342 119.966 120.570 -0.437 0.000 2.607 601 I HA 0.292 4.451 4.170 -0.018 0.000 0.290 601 I C -0.675 175.299 176.117 -0.238 0.000 1.129 601 I CA -1.554 59.489 61.300 -0.429 0.000 1.042 601 I CB 2.268 39.758 38.000 -0.849 0.000 1.242 601 I HN -0.313 nan 8.210 nan 0.000 0.421 602 M N 9.286 128.792 119.600 -0.156 0.000 2.219 602 M HA 0.309 4.778 4.480 -0.018 0.000 0.353 602 M C -2.306 173.941 176.300 -0.088 0.000 1.304 602 M CA -1.387 53.866 55.300 -0.079 0.000 1.115 602 M CB 0.276 32.856 32.600 -0.033 0.000 1.664 602 M HN 0.292 nan 8.290 nan 0.000 0.459 603 P HA 0.169 nan 4.420 nan 0.000 0.277 603 P C -0.516 176.770 177.300 -0.024 0.000 1.240 603 P CA -0.464 62.605 63.100 -0.051 0.000 0.798 603 P CB 0.717 32.392 31.700 -0.041 0.000 0.979 604 V N 2.730 122.641 119.914 -0.005 0.000 2.644 604 V HA -0.069 4.040 4.120 -0.018 0.000 0.305 604 V C 0.785 176.894 176.094 0.025 0.000 1.053 604 V CA 1.117 63.433 62.300 0.027 0.000 1.186 604 V CB -0.408 31.442 31.823 0.044 0.000 0.895 604 V HN 0.626 nan 8.190 nan 0.000 0.490 605 D N 2.741 123.173 120.400 0.053 0.000 2.350 605 D HA 0.638 5.267 4.640 -0.018 0.000 0.245 605 D C -0.163 176.177 176.300 0.068 0.000 1.036 605 D CA -0.211 53.840 54.000 0.085 0.000 0.848 605 D CB 2.073 42.985 40.800 0.187 0.000 1.307 605 D HN 0.732 nan 8.370 nan 0.000 0.469 606 T N -0.812 113.776 114.554 0.057 0.000 2.924 606 T HA 0.782 5.122 4.350 -0.018 0.000 0.291 606 T C -0.750 173.998 174.700 0.079 0.000 1.045 606 T CA -0.819 61.289 62.100 0.013 0.000 1.015 606 T CB 1.611 70.458 68.868 -0.036 0.000 1.103 606 T HN 0.230 nan 8.240 nan 0.000 0.496 607 V N -0.138 119.802 119.914 0.044 0.000 3.204 607 V HA 0.873 4.983 4.120 -0.018 0.000 0.298 607 V C -0.224 175.864 176.094 -0.011 0.000 1.328 607 V CA 0.516 62.914 62.300 0.163 0.000 1.035 607 V CB 1.723 33.707 31.823 0.269 0.000 1.095 607 V HN 1.660 nan 8.190 nan 0.000 0.442 608 G N 2.665 111.295 108.800 -0.283 0.000 2.393 608 G HA2 0.705 4.654 3.960 -0.018 0.000 0.264 608 G HA3 0.705 4.654 3.960 -0.018 0.000 0.264 608 G C -1.467 172.865 174.900 -0.946 0.000 1.221 608 G CA 0.217 44.951 45.100 -0.610 0.000 0.912 608 G HN 1.947 nan 8.290 nan 0.000 0.483 609 F N -1.027 118.557 119.950 -0.611 0.000 2.807 609 F HA 0.850 5.366 4.527 -0.018 0.000 0.316 609 F C -1.075 174.717 175.800 -0.014 0.000 1.162 609 F CA -0.991 56.837 58.000 -0.287 0.000 0.910 609 F CB 1.481 40.333 39.000 -0.247 0.000 1.314 609 F HN 0.825 nan 8.300 nan 0.000 0.454 610 K N 0.984 121.516 120.400 0.220 0.000 2.533 610 K HA 0.845 5.154 4.320 -0.018 0.000 0.272 610 K C -2.445 174.387 176.600 0.388 0.000 0.985 610 K CA -1.048 55.355 56.287 0.193 0.000 0.876 610 K CB 2.693 35.286 32.500 0.154 0.000 1.452 610 K HN 0.750 nan 8.250 nan 0.000 0.439 611 L N 1.455 122.909 121.223 0.385 0.000 2.381 611 L HA 0.558 4.888 4.340 -0.018 0.000 0.274 611 L C -0.512 176.636 176.870 0.464 0.000 0.988 611 L CA -0.600 54.503 54.840 0.439 0.000 0.824 611 L CB 2.020 44.354 42.059 0.457 0.000 1.263 611 L HN 0.542 nan 8.230 nan 0.000 0.410 612 R N 3.258 123.955 120.500 0.328 0.000 2.637 612 R HA 0.527 4.856 4.340 -0.018 0.000 0.291 612 R C -2.577 173.507 176.300 -0.361 0.000 0.963 612 R CA -1.933 54.230 56.100 0.106 0.000 0.901 612 R CB 1.958 32.349 30.300 0.151 0.000 1.160 612 R HN 0.283 nan 8.270 nan 0.000 0.457 613 P HA -0.054 nan 4.420 nan 0.000 0.266 613 P C -0.589 176.497 177.300 -0.357 0.000 1.195 613 P CA 0.272 62.757 63.100 -1.025 0.000 0.768 613 P CB 0.686 32.116 31.700 -0.449 0.000 0.838 614 E N 2.047 122.098 120.200 -0.247 0.000 2.873 614 E HA 0.432 4.772 4.350 -0.018 0.000 0.232 614 E C 0.678 177.280 176.600 0.004 0.000 1.123 614 E CA -0.365 55.998 56.400 -0.060 0.000 0.809 614 E CB -0.629 29.056 29.700 -0.026 0.000 1.366 614 E HN 0.673 nan 8.360 nan 0.000 0.400 615 G N 3.111 111.925 108.800 0.022 0.000 2.160 615 G HA2 -0.360 3.590 3.960 -0.018 0.000 0.251 615 G HA3 -0.360 3.590 3.960 -0.018 0.000 0.251 615 G C 0.503 175.419 174.900 0.026 0.000 1.008 615 G CA 0.390 45.508 45.100 0.030 0.000 0.724 615 G HN 0.523 nan 8.290 nan 0.000 0.514 616 F N 0.109 119.956 119.950 -0.171 0.000 2.149 616 F HA 0.463 4.979 4.527 -0.018 0.000 0.294 616 F C 1.390 176.946 175.800 -0.407 0.000 1.095 616 F CA 0.654 58.460 58.000 -0.323 0.000 1.276 616 F CB 0.019 38.718 39.000 -0.501 0.000 1.023 616 F HN 0.125 nan 8.300 nan 0.000 0.480 617 F N 0.443 120.419 119.950 0.043 0.000 2.380 617 F HA 0.209 4.725 4.527 -0.019 0.000 0.319 617 F C 1.393 177.159 175.800 -0.057 0.000 1.113 617 F CA -0.711 57.263 58.000 -0.044 0.000 1.056 617 F CB 0.317 39.302 39.000 -0.026 0.000 1.289 617 F HN -0.250 nan 8.300 nan 0.000 0.515 618 D N 0.070 120.563 120.400 0.156 0.000 2.349 618 D HA 0.066 4.695 4.640 -0.018 0.000 0.215 618 D C 0.308 176.643 176.300 0.057 0.000 1.016 618 D CA 0.580 54.618 54.000 0.064 0.000 0.870 618 D CB 0.254 41.074 40.800 0.034 0.000 0.917 618 D HN 0.509 nan 8.370 nan 0.000 0.524 619 R N -2.088 118.460 120.500 0.080 0.000 2.832 619 R HA 0.191 4.520 4.340 -0.018 0.000 0.283 619 R C -0.788 175.512 176.300 0.001 0.000 0.998 619 R CA -0.749 55.369 56.100 0.030 0.000 0.843 619 R CB 0.337 30.641 30.300 0.007 0.000 1.332 619 R HN -0.159 nan 8.270 nan 0.000 0.490 620 S N 1.074 116.751 115.700 -0.038 0.000 2.563 620 S HA 0.088 4.547 4.470 -0.018 0.000 0.294 620 S C -1.212 173.282 174.600 -0.177 0.000 1.279 620 S CA -0.710 57.433 58.200 -0.094 0.000 1.069 620 S CB 0.444 63.611 63.200 -0.055 0.000 0.828 620 S HN 0.520 nan 8.310 nan 0.000 0.497 621 P HA 0.091 nan 4.420 nan 0.000 0.249 621 P C 0.585 177.777 177.300 -0.181 0.000 1.229 621 P CA 0.259 63.078 63.100 -0.469 0.000 0.788 621 P CB -0.205 30.733 31.700 -1.270 0.000 1.072 622 V N -4.170 115.684 119.914 -0.101 0.000 3.006 622 V HA 0.233 4.343 4.120 -0.018 0.000 0.357 622 V C 1.582 177.696 176.094 0.033 0.000 1.377 622 V CA -0.091 62.202 62.300 -0.011 0.000 1.198 622 V CB -0.821 31.018 31.823 0.027 0.000 1.216 622 V HN -0.126 nan 8.190 nan 0.000 0.520 623 L N 1.274 122.509 121.223 0.019 0.000 2.376 623 L HA 0.017 4.346 4.340 -0.018 0.000 0.219 623 L C 2.078 178.986 176.870 0.064 0.000 1.133 623 L CA 1.491 56.365 54.840 0.056 0.000 0.816 623 L CB -0.283 41.787 42.059 0.019 0.000 0.933 623 L HN 0.566 nan 8.230 nan 0.000 0.449 624 D N -0.791 119.627 120.400 0.031 0.000 2.328 624 D HA -0.009 4.620 4.640 -0.018 0.000 0.221 624 D C 0.625 176.933 176.300 0.013 0.000 1.072 624 D CA -0.008 54.005 54.000 0.021 0.000 0.850 624 D CB -0.251 40.550 40.800 0.001 0.000 0.922 624 D HN -0.014 nan 8.370 nan 0.000 0.516 625 V N 3.417 123.344 119.914 0.022 0.000 2.479 625 V HA 0.163 4.272 4.120 -0.018 0.000 0.281 625 V C -1.592 174.500 176.094 -0.002 0.000 1.031 625 V CA -1.025 61.277 62.300 0.003 0.000 1.038 625 V CB 0.752 32.581 31.823 0.011 0.000 0.981 625 V HN 0.185 nan 8.190 nan 0.000 0.478 626 P HA 0.298 nan 4.420 nan 0.000 0.274 626 P C -0.477 176.795 177.300 -0.047 0.000 1.237 626 P CA -0.386 62.703 63.100 -0.020 0.000 0.793 626 P CB 0.991 32.682 31.700 -0.014 0.000 0.977 627 A N 2.497 125.283 122.820 -0.055 0.000 2.445 627 A HA 0.109 4.418 4.320 -0.018 0.000 0.242 627 A C 0.866 178.420 177.584 -0.050 0.000 1.075 627 A CA -0.340 51.648 52.037 -0.081 0.000 0.777 627 A CB -0.563 18.395 19.000 -0.069 0.000 1.013 627 A HN 0.587 nan 8.150 nan 0.000 0.493 628 N N 0.000 118.669 118.700 -0.052 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.034 53.050 -0.027 0.000 0.885 628 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667