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 1wmo_1_A 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 0.000 177.592 177.584 0.013 0.000 1.274 9 A CA 0.000 52.046 52.037 0.014 0.000 0.836 9 A CB 0.000 19.016 19.000 0.027 0.000 0.831 10 S N 0.735 116.454 115.700 0.031 0.000 2.564 10 S HA 0.451 4.896 4.470 -0.042 0.000 0.278 10 S C -1.805 172.796 174.600 0.003 0.000 1.333 10 S CA -0.541 57.691 58.200 0.054 0.000 1.048 10 S CB 0.747 64.020 63.200 0.122 0.000 0.900 10 S HN 0.280 nan 8.310 nan 0.000 0.505 11 P HA 0.090 nan 4.420 nan 0.000 0.234 11 P C -0.063 176.919 177.300 -0.529 0.000 1.167 11 P CA 0.834 63.761 63.100 -0.288 0.000 0.763 11 P CB 0.004 31.477 31.700 -0.379 0.000 0.835 12 F N -0.670 119.215 119.950 -0.110 0.000 2.653 12 F HA 0.185 4.687 4.527 -0.042 0.000 0.304 12 F C 1.419 177.154 175.800 -0.109 0.000 1.092 12 F CA -0.683 57.205 58.000 -0.186 0.000 1.279 12 F CB -0.169 38.711 39.000 -0.200 0.000 1.044 12 F HN -0.190 nan 8.300 nan 0.000 0.564 13 R N 0.740 121.271 120.500 0.051 0.000 2.784 13 R HA 0.259 4.574 4.340 -0.042 0.000 0.266 13 R C -0.155 176.164 176.300 0.033 0.000 1.044 13 R CA -0.447 55.689 56.100 0.060 0.000 1.151 13 R CB 0.422 30.750 30.300 0.046 0.000 1.037 13 R HN 0.141 nan 8.270 nan 0.000 0.478 14 L N 1.393 122.649 121.223 0.056 0.000 2.467 14 L HA 0.162 4.477 4.340 -0.042 0.000 0.270 14 L C 0.736 177.639 176.870 0.055 0.000 1.205 14 L CA -0.283 54.591 54.840 0.055 0.000 0.828 14 L CB 0.559 42.653 42.059 0.059 0.000 1.101 14 L HN 0.853 nan 8.230 nan 0.000 0.479 15 A N 2.460 125.323 122.820 0.072 0.000 2.511 15 A HA 0.240 4.535 4.320 -0.042 0.000 0.242 15 A C 0.273 177.930 177.584 0.122 0.000 1.069 15 A CA 0.071 52.202 52.037 0.156 0.000 0.763 15 A CB 0.397 19.548 19.000 0.251 0.000 1.001 15 A HN 0.650 nan 8.150 nan 0.000 0.498 16 S N 1.195 116.968 115.700 0.122 0.000 2.646 16 S HA 0.506 4.951 4.470 -0.042 0.000 0.276 16 S C 1.415 176.034 174.600 0.032 0.000 1.222 16 S CA -0.047 58.189 58.200 0.060 0.000 1.014 16 S CB 1.117 64.345 63.200 0.047 0.000 0.991 16 S HN 1.382 nan 8.310 nan 0.000 0.533 17 A N 3.392 126.218 122.820 0.009 0.000 1.933 17 A HA 0.077 4.372 4.320 -0.042 0.000 0.218 17 A C 2.095 179.660 177.584 -0.032 0.000 1.175 17 A CA 1.954 53.985 52.037 -0.010 0.000 0.628 17 A CB -1.562 17.433 19.000 -0.009 0.000 0.814 17 A HN 1.032 nan 8.150 nan 0.000 0.444 18 G N -0.578 108.207 108.800 -0.026 0.000 2.432 18 G HA2 -0.194 3.741 3.960 -0.042 0.000 0.219 18 G HA3 -0.194 3.741 3.960 -0.042 0.000 0.219 18 G C 1.420 176.272 174.900 -0.080 0.000 1.135 18 G CA 0.963 46.038 45.100 -0.041 0.000 0.767 18 G HN 0.668 nan 8.290 nan 0.000 0.550 19 E N -0.077 120.074 120.200 -0.082 0.000 2.107 19 E HA -0.041 4.284 4.350 -0.042 0.000 0.191 19 E C 2.501 178.862 176.600 -0.400 0.000 0.982 19 E CA 0.344 56.627 56.400 -0.195 0.000 0.809 19 E CB -0.026 29.649 29.700 -0.042 0.000 0.756 19 E HN 0.320 nan 8.360 nan 0.000 0.459 20 I N 1.120 121.533 120.570 -0.263 0.000 2.202 20 I HA -0.206 3.939 4.170 -0.042 0.000 0.242 20 I C 2.302 178.298 176.117 -0.202 0.000 1.091 20 I CA 1.109 62.253 61.300 -0.259 0.000 1.368 20 I CB -1.133 36.802 38.000 -0.108 0.000 1.058 20 I HN -0.004 nan 8.210 nan 0.000 0.410 21 S N 0.653 116.272 115.700 -0.134 0.000 2.359 21 S HA -0.247 4.198 4.470 -0.042 0.000 0.224 21 S C 1.920 176.453 174.600 -0.111 0.000 1.035 21 S CA 1.714 59.858 58.200 -0.094 0.000 1.018 21 S CB -0.319 62.842 63.200 -0.064 0.000 0.876 21 S HN 0.434 nan 8.310 nan 0.000 0.448 22 E N 1.219 121.336 120.200 -0.139 0.000 2.160 22 E HA -0.117 4.208 4.350 -0.042 0.000 0.195 22 E C 1.788 178.293 176.600 -0.159 0.000 0.991 22 E CA 1.027 57.347 56.400 -0.133 0.000 0.810 22 E CB -0.309 29.312 29.700 -0.132 0.000 0.742 22 E HN 0.285 nan 8.360 nan 0.000 0.466 23 V N 0.731 120.495 119.914 -0.250 0.000 2.307 23 V HA -0.267 3.828 4.120 -0.042 0.000 0.245 23 V C 2.587 178.606 176.094 -0.125 0.000 1.045 23 V CA 2.184 64.342 62.300 -0.237 0.000 1.024 23 V CB -0.700 30.898 31.823 -0.375 0.000 0.651 23 V HN 0.423 nan 8.190 nan 0.000 0.449 24 Q N 0.191 119.926 119.800 -0.109 0.000 2.061 24 Q HA -0.193 4.122 4.340 -0.042 0.000 0.204 24 Q C 2.235 178.213 176.000 -0.036 0.000 0.984 24 Q CA 2.278 58.050 55.803 -0.051 0.000 0.846 24 Q CB -0.543 28.173 28.738 -0.036 0.000 0.902 24 Q HN 0.640 nan 8.270 nan 0.000 0.421 25 G N 1.289 110.060 108.800 -0.047 0.000 2.480 25 G HA2 -0.274 3.661 3.960 -0.042 0.000 0.216 25 G HA3 -0.274 3.661 3.960 -0.042 0.000 0.216 25 G C 1.436 176.318 174.900 -0.029 0.000 1.200 25 G CA 1.132 46.211 45.100 -0.034 0.000 0.782 25 G HN 0.411 nan 8.290 nan 0.000 0.554 26 I N 0.532 121.079 120.570 -0.039 0.000 2.185 26 I HA -0.242 3.903 4.170 -0.042 0.000 0.246 26 I C 2.764 178.873 176.117 -0.013 0.000 1.088 26 I CA 0.976 62.260 61.300 -0.027 0.000 1.347 26 I CB -0.252 37.727 38.000 -0.036 0.000 1.041 26 I HN 0.152 nan 8.210 nan 0.000 0.415 27 L N -0.248 120.968 121.223 -0.012 0.000 2.109 27 L HA -0.156 4.159 4.340 -0.042 0.000 0.207 27 L C 2.769 179.644 176.870 0.008 0.000 1.086 27 L CA 1.164 56.007 54.840 0.005 0.000 0.760 27 L CB -0.518 41.547 42.059 0.011 0.000 0.910 27 L HN 0.150 nan 8.230 nan 0.000 0.437 28 R N -0.248 120.254 120.500 0.003 0.000 2.070 28 R HA -0.090 4.225 4.340 -0.042 0.000 0.232 28 R C 1.128 177.428 176.300 0.000 0.000 1.138 28 R CA 1.619 57.721 56.100 0.004 0.000 0.936 28 R CB -0.598 29.701 30.300 -0.001 0.000 0.839 28 R HN 0.210 nan 8.270 nan 0.000 0.429 29 T N 0.209 114.761 114.554 -0.004 0.000 4.210 29 T HA 0.247 4.572 4.350 -0.042 0.000 0.229 29 T C 0.310 175.009 174.700 -0.002 0.000 0.813 29 T CA 0.575 62.672 62.100 -0.005 0.000 0.888 29 T CB 0.222 69.085 68.868 -0.008 0.000 1.327 29 T HN 0.400 nan 8.240 nan 0.000 0.739 30 A N -0.245 122.576 122.820 0.002 0.000 2.552 30 A HA 0.578 4.873 4.320 -0.042 0.000 0.177 30 A C 1.494 179.081 177.584 0.006 0.000 1.677 30 A CA 0.268 52.307 52.037 0.005 0.000 1.096 30 A CB -0.393 18.611 19.000 0.008 0.000 1.174 30 A HN 0.926 nan 8.150 nan 0.000 0.435 31 G N -0.105 108.699 108.800 0.006 0.000 2.162 31 G HA2 -0.282 3.653 3.960 -0.042 0.000 0.260 31 G HA3 -0.282 3.653 3.960 -0.042 0.000 0.260 31 G C 0.861 175.768 174.900 0.011 0.000 0.976 31 G CA 0.707 45.811 45.100 0.006 0.000 0.655 31 G HN 0.723 nan 8.290 nan 0.000 0.533 32 L N -1.395 119.838 121.223 0.017 0.000 2.249 32 L HA 0.390 4.705 4.340 -0.042 0.000 0.207 32 L C 1.182 178.071 176.870 0.032 0.000 1.090 32 L CA 0.370 55.224 54.840 0.025 0.000 0.802 32 L CB 0.017 42.095 42.059 0.032 0.000 0.947 32 L HN 0.252 nan 8.230 nan 0.000 0.453 33 L N 0.156 121.398 121.223 0.031 0.000 2.313 33 L HA 0.761 5.077 4.340 -0.042 0.000 0.283 33 L C -0.022 176.871 176.870 0.040 0.000 1.013 33 L CA 0.053 54.919 54.840 0.044 0.000 0.816 33 L CB 1.285 43.371 42.059 0.044 0.000 1.236 33 L HN 0.013 nan 8.230 nan 0.000 0.419 34 G N 3.359 112.191 108.800 0.054 0.000 2.340 34 G HA2 0.322 4.257 3.960 -0.042 0.000 0.299 34 G HA3 0.322 4.257 3.960 -0.042 0.000 0.299 34 G C -2.623 172.309 174.900 0.053 0.000 1.291 34 G CA -0.189 44.934 45.100 0.038 0.000 0.841 34 G HN 0.350 nan 8.290 nan 0.000 0.500 35 P HA -0.248 nan 4.420 nan 0.000 0.221 35 P C 0.952 178.289 177.300 0.062 0.000 0.967 35 P CA 2.131 65.246 63.100 0.025 0.000 1.038 35 P CB 0.171 31.875 31.700 0.006 0.000 0.731 36 E N -1.307 118.918 120.200 0.042 0.000 2.394 36 E HA 0.072 4.397 4.350 -0.042 0.000 0.191 36 E C -0.012 176.606 176.600 0.029 0.000 1.044 36 E CA 0.269 56.692 56.400 0.038 0.000 0.939 36 E CB 0.052 29.749 29.700 -0.005 0.000 1.089 36 E HN 0.304 nan 8.360 nan 0.000 0.456 37 K N 1.637 122.079 120.400 0.070 0.000 2.183 37 K HA 0.358 4.653 4.320 -0.042 0.000 0.274 37 K C 0.189 176.854 176.600 0.109 0.000 1.009 37 K CA -0.573 55.752 56.287 0.064 0.000 0.888 37 K CB 1.520 34.057 32.500 0.061 0.000 1.078 37 K HN -0.137 nan 8.250 nan 0.000 0.459 38 R N 2.492 123.040 120.500 0.080 0.000 2.561 38 R HA 0.447 4.762 4.340 -0.042 0.000 0.297 38 R C 0.048 176.370 176.300 0.036 0.000 0.969 38 R CA -0.767 55.338 56.100 0.009 0.000 0.879 38 R CB 1.169 31.486 30.300 0.028 0.000 1.178 38 R HN 0.589 nan 8.270 nan 0.000 0.445 39 I N 2.605 123.154 120.570 -0.035 0.000 2.347 39 I HA 0.047 4.192 4.170 -0.042 0.000 0.294 39 I C 1.345 177.469 176.117 0.012 0.000 1.090 39 I CA 0.105 61.412 61.300 0.011 0.000 1.314 39 I CB 1.254 39.235 38.000 -0.032 0.000 1.423 39 I HN 0.694 nan 8.210 nan 0.000 0.503 40 A N 6.804 129.694 122.820 0.118 0.000 2.123 40 A HA -0.006 4.289 4.320 -0.042 0.000 0.214 40 A C 0.354 178.054 177.584 0.194 0.000 1.152 40 A CA 0.856 52.973 52.037 0.133 0.000 0.728 40 A CB 0.128 19.243 19.000 0.192 0.000 0.814 40 A HN 0.695 nan 8.150 nan 0.000 0.464 41 Y N -2.122 118.193 120.300 0.024 0.000 2.465 41 Y HA 0.536 5.061 4.550 -0.042 0.000 0.323 41 Y C -1.870 173.928 175.900 -0.171 0.000 1.191 41 Y CA -1.097 56.918 58.100 -0.142 0.000 1.082 41 Y CB 1.017 39.252 38.460 -0.375 0.000 1.334 41 Y HN 0.148 nan 8.280 nan 0.000 0.449 42 L N 5.423 126.012 121.223 -1.057 0.000 2.493 42 L HA 0.991 5.306 4.340 -0.042 0.000 0.265 42 L C -1.239 175.110 176.870 -0.867 0.000 0.954 42 L CA -0.234 54.173 54.840 -0.721 0.000 0.844 42 L CB 2.158 44.061 42.059 -0.260 0.000 1.302 42 L HN 0.955 nan 8.230 nan 0.000 0.405 43 G N 2.864 111.336 108.800 -0.547 0.000 2.732 43 G HA2 0.442 4.377 3.960 -0.042 0.000 0.296 43 G HA3 0.442 4.377 3.960 -0.042 0.000 0.296 43 G C -1.844 172.884 174.900 -0.288 0.000 1.448 43 G CA -0.526 44.378 45.100 -0.326 0.000 0.911 43 G HN 0.524 nan 8.290 nan 0.000 0.528 44 V N 1.415 120.991 119.914 -0.563 0.000 2.811 44 V HA 0.486 4.581 4.120 -0.042 0.000 0.302 44 V C -0.081 175.755 176.094 -0.430 0.000 1.063 44 V CA -0.289 61.425 62.300 -0.977 0.000 1.088 44 V CB 0.898 32.109 31.823 -1.019 0.000 0.982 44 V HN 0.565 nan 8.190 nan 0.000 0.485 45 L N 5.410 126.413 121.223 -0.367 0.000 2.357 45 L HA 0.488 4.803 4.340 -0.042 0.000 0.273 45 L C 0.215 176.956 176.870 -0.215 0.000 1.080 45 L CA -0.007 54.719 54.840 -0.190 0.000 0.803 45 L CB 0.961 42.949 42.059 -0.118 0.000 1.174 45 L HN 0.616 nan 8.230 nan 0.000 0.443 46 D N 2.239 122.555 120.400 -0.140 0.000 2.339 46 D HA 0.270 4.885 4.640 -0.042 0.000 0.245 46 D C -2.008 174.179 176.300 -0.189 0.000 1.115 46 D CA -0.940 52.956 54.000 -0.174 0.000 0.917 46 D CB 0.432 41.242 40.800 0.016 0.000 1.192 46 D HN 0.306 nan 8.370 nan 0.000 0.428 47 P HA 0.154 nan 4.420 nan 0.000 0.268 47 P C -0.720 176.530 177.300 -0.084 0.000 1.208 47 P CA -0.139 62.821 63.100 -0.233 0.000 0.777 47 P CB 0.511 31.997 31.700 -0.358 0.000 0.875 48 A N 2.501 125.286 122.820 -0.059 0.000 2.296 48 A HA 0.316 4.611 4.320 -0.042 0.000 0.264 48 A C 0.314 177.881 177.584 -0.030 0.000 1.097 48 A CA -0.232 51.792 52.037 -0.021 0.000 0.811 48 A CB 0.034 19.022 19.000 -0.019 0.000 1.072 48 A HN 0.395 nan 8.150 nan 0.000 0.495 49 R N -0.189 120.279 120.500 -0.053 0.000 2.473 49 R HA 0.429 4.744 4.340 -0.042 0.000 0.315 49 R C 0.402 176.664 176.300 -0.062 0.000 0.972 49 R CA 1.222 57.247 56.100 -0.126 0.000 1.047 49 R CB -0.455 29.727 30.300 -0.196 0.000 0.932 49 R HN 1.134 nan 8.270 nan 0.000 0.411 50 G N 0.271 109.056 108.800 -0.025 0.000 2.576 50 G HA2 0.542 4.477 3.960 -0.042 0.000 0.290 50 G HA3 0.542 4.477 3.960 -0.042 0.000 0.290 50 G C -0.814 174.112 174.900 0.044 0.000 1.442 50 G CA -0.060 45.044 45.100 0.005 0.000 0.792 50 G HN 0.522 nan 8.290 nan 0.000 0.491 51 A N -0.773 122.071 122.820 0.041 0.000 1.995 51 A HA 0.615 4.910 4.320 -0.042 0.000 0.200 51 A C 1.662 179.270 177.584 0.039 0.000 1.566 51 A CA 1.322 53.391 52.037 0.053 0.000 0.895 51 A CB 0.008 19.038 19.000 0.050 0.000 1.046 51 A HN 1.834 nan 8.150 nan 0.000 0.523 52 G N 0.926 109.742 108.800 0.026 0.000 4.178 52 G HA2 0.422 4.357 3.960 -0.042 0.000 0.287 52 G HA3 0.422 4.357 3.960 -0.042 0.000 0.287 52 G C -0.315 174.593 174.900 0.013 0.000 1.293 52 G CA 0.072 45.184 45.100 0.019 0.000 1.393 52 G HN 0.197 nan 8.290 nan 0.000 0.623 53 S N 0.621 116.330 115.700 0.015 0.000 3.483 53 S HA 0.174 4.619 4.470 -0.042 0.000 0.274 53 S C 0.350 174.950 174.600 -0.000 0.000 1.289 53 S CA -0.210 57.992 58.200 0.004 0.000 0.938 53 S CB 0.756 63.956 63.200 -0.001 0.000 1.453 53 S HN 0.417 nan 8.310 nan 0.000 0.494 54 E N 2.169 122.369 120.200 -0.001 0.000 2.336 54 E HA 0.392 4.717 4.350 -0.042 0.000 0.214 54 E C -0.005 176.591 176.600 -0.007 0.000 1.144 54 E CA -0.083 56.315 56.400 -0.002 0.000 1.294 54 E CB 0.444 30.145 29.700 0.001 0.000 1.263 54 E HN 0.586 nan 8.360 nan 0.000 0.439 55 A N 1.249 124.062 122.820 -0.012 0.000 2.679 55 A HA 0.234 4.529 4.320 -0.042 0.000 0.288 55 A C -0.635 176.934 177.584 -0.025 0.000 1.160 55 A CA -0.707 51.322 52.037 -0.015 0.000 0.763 55 A CB 0.452 19.445 19.000 -0.011 0.000 1.270 55 A HN 0.169 nan 8.150 nan 0.000 0.417 56 E N 1.963 122.147 120.200 -0.028 0.000 2.299 56 E HA 0.226 4.551 4.350 -0.042 0.000 0.272 56 E C -1.163 175.416 176.600 -0.035 0.000 1.043 56 E CA -0.067 56.308 56.400 -0.042 0.000 0.895 56 E CB 0.606 30.281 29.700 -0.041 0.000 1.011 56 E HN 0.436 nan 8.360 nan 0.000 0.432 57 D N 4.509 124.881 120.400 -0.047 0.000 2.420 57 D HA 0.152 4.767 4.640 -0.042 0.000 0.255 57 D C -1.042 175.235 176.300 -0.038 0.000 1.185 57 D CA -0.614 53.369 54.000 -0.028 0.000 0.904 57 D CB 0.386 41.171 40.800 -0.024 0.000 1.102 57 D HN 0.273 nan 8.370 nan 0.000 0.534 58 R N 3.350 123.847 120.500 -0.005 0.000 2.248 58 R HA 0.346 4.662 4.340 -0.042 0.000 0.337 58 R C 0.231 176.596 176.300 0.108 0.000 1.085 58 R CA -0.157 55.952 56.100 0.015 0.000 0.934 58 R CB 0.565 30.922 30.300 0.094 0.000 1.034 58 R HN 0.352 nan 8.270 nan 0.000 0.465 59 R N 2.230 122.746 120.500 0.027 0.000 2.732 59 R HA 0.515 4.830 4.340 -0.042 0.000 0.278 59 R C -0.667 175.677 176.300 0.074 0.000 0.976 59 R CA -0.641 55.524 56.100 0.109 0.000 0.963 59 R CB 1.391 31.708 30.300 0.028 0.000 1.150 59 R HN 0.220 nan 8.270 nan 0.000 0.478 60 F N 0.503 120.438 119.950 -0.026 0.000 2.540 60 F HA 0.451 4.953 4.527 -0.042 0.000 0.317 60 F C 0.279 176.076 175.800 -0.006 0.000 1.104 60 F CA -0.815 57.165 58.000 -0.034 0.000 0.913 60 F CB 1.862 40.830 39.000 -0.054 0.000 1.170 60 F HN 0.184 nan 8.300 nan 0.000 0.450 61 R N 2.233 122.824 120.500 0.152 0.000 2.407 61 R HA 0.857 5.172 4.340 -0.042 0.000 0.303 61 R C -1.802 174.573 176.300 0.125 0.000 0.981 61 R CA -0.489 55.706 56.100 0.157 0.000 0.905 61 R CB 1.417 31.815 30.300 0.164 0.000 1.099 61 R HN 0.561 nan 8.270 nan 0.000 0.459 62 V N 4.561 124.585 119.914 0.183 0.000 2.841 62 V HA 0.491 4.586 4.120 -0.042 0.000 0.310 62 V C -1.163 175.197 176.094 0.442 0.000 1.090 62 V CA -0.844 61.558 62.300 0.170 0.000 0.930 62 V CB 2.044 33.940 31.823 0.122 0.000 1.014 62 V HN 0.569 nan 8.190 nan 0.000 0.425 63 F N 4.043 124.154 119.950 0.269 0.000 2.402 63 F HA 0.637 5.138 4.527 -0.042 0.000 0.355 63 F C 0.038 175.936 175.800 0.163 0.000 1.123 63 F CA -1.709 56.443 58.000 0.254 0.000 1.021 63 F CB 1.341 40.541 39.000 0.332 0.000 1.160 63 F HN 0.224 nan 8.300 nan 0.000 0.451 64 I N 3.852 124.599 120.570 0.296 0.000 2.362 64 I HA 0.235 4.380 4.170 -0.042 0.000 0.289 64 I C -0.209 176.003 176.117 0.158 0.000 0.994 64 I CA -0.734 60.677 61.300 0.185 0.000 1.158 64 I CB 1.386 39.460 38.000 0.123 0.000 1.315 64 I HN 0.497 nan 8.210 nan 0.000 0.451 65 H N 5.686 124.786 119.070 0.049 0.000 2.482 65 H HA 0.323 4.854 4.556 -0.042 0.000 0.344 65 H C -1.081 174.253 175.328 0.010 0.000 1.151 65 H CA -0.281 55.775 56.048 0.014 0.000 1.300 65 H CB 1.389 31.157 29.762 0.011 0.000 1.494 65 H HN 0.544 nan 8.280 nan 0.000 0.542 66 D N 4.127 124.108 120.400 -0.700 0.000 2.471 66 D HA 0.117 4.732 4.640 -0.042 0.000 0.245 66 D C 0.779 176.706 176.300 -0.622 0.000 1.116 66 D CA -0.434 53.286 54.000 -0.466 0.000 0.853 66 D CB 1.592 42.246 40.800 -0.243 0.000 1.123 66 D HN 0.444 nan 8.370 nan 0.000 0.540 67 V N 3.220 122.946 119.914 -0.313 0.000 2.392 67 V HA -0.250 3.845 4.120 -0.042 0.000 0.249 67 V C 2.324 178.369 176.094 -0.081 0.000 1.059 67 V CA 1.793 64.025 62.300 -0.114 0.000 1.051 67 V CB -0.565 31.268 31.823 0.017 0.000 0.658 67 V HN 0.537 nan 8.190 nan 0.000 0.455 68 S N -0.071 115.577 115.700 -0.086 0.000 2.419 68 S HA 0.074 4.519 4.470 -0.042 0.000 0.233 68 S C 1.739 176.303 174.600 -0.061 0.000 1.016 68 S CA 1.222 59.389 58.200 -0.055 0.000 0.974 68 S CB -0.006 63.165 63.200 -0.048 0.000 0.786 68 S HN 1.028 nan 8.310 nan 0.000 0.492 69 G N 0.526 109.265 108.800 -0.102 0.000 2.205 69 G HA2 0.014 3.949 3.960 -0.042 0.000 0.180 69 G HA3 0.014 3.949 3.960 -0.042 0.000 0.180 69 G C 0.142 174.991 174.900 -0.086 0.000 1.004 69 G CA -0.216 44.837 45.100 -0.078 0.000 0.670 69 G HN 0.822 nan 8.290 nan 0.000 0.496 70 A N 0.595 123.354 122.820 -0.101 0.000 2.386 70 A HA 0.645 4.940 4.320 -0.042 0.000 0.246 70 A C 0.907 178.432 177.584 -0.098 0.000 1.089 70 A CA 0.010 51.996 52.037 -0.085 0.000 0.790 70 A CB 0.215 19.171 19.000 -0.075 0.000 1.042 70 A HN 0.472 nan 8.150 nan 0.000 0.497 71 R N 1.330 121.783 120.500 -0.078 0.000 2.489 71 R HA 0.183 4.498 4.340 -0.042 0.000 0.287 71 R C -2.234 174.016 176.300 -0.083 0.000 1.053 71 R CA -0.976 55.074 56.100 -0.082 0.000 1.036 71 R CB -0.087 30.169 30.300 -0.074 0.000 0.966 71 R HN 0.587 nan 8.270 nan 0.000 0.432 72 P HA 0.051 nan 4.420 nan 0.000 0.274 72 P C -0.909 176.348 177.300 -0.073 0.000 1.256 72 P CA -0.214 62.846 63.100 -0.067 0.000 0.795 72 P CB 0.902 32.560 31.700 -0.071 0.000 1.038 73 Q N -0.622 119.166 119.800 -0.019 0.000 2.345 73 Q HA 0.321 4.636 4.340 -0.042 0.000 0.275 73 Q C -0.889 175.169 176.000 0.095 0.000 1.063 73 Q CA -0.652 55.157 55.803 0.010 0.000 0.819 73 Q CB 2.653 31.409 28.738 0.031 0.000 1.356 73 Q HN 0.457 nan 8.270 nan 0.000 0.418 74 E N 2.050 122.319 120.200 0.114 0.000 2.134 74 E HA 0.455 4.780 4.350 -0.042 0.000 0.278 74 E C -1.439 175.293 176.600 0.220 0.000 0.959 74 E CA -0.470 56.095 56.400 0.274 0.000 0.783 74 E CB 1.195 31.070 29.700 0.292 0.000 1.095 74 E HN 0.287 nan 8.360 nan 0.000 0.399 75 V N 3.651 123.711 119.914 0.242 0.000 2.656 75 V HA 0.375 4.470 4.120 -0.042 0.000 0.307 75 V C -0.357 175.836 176.094 0.165 0.000 1.051 75 V CA -0.741 61.657 62.300 0.164 0.000 0.893 75 V CB 2.282 34.179 31.823 0.123 0.000 0.999 75 V HN 0.720 nan 8.190 nan 0.000 0.426 76 T N 3.993 118.623 114.554 0.127 0.000 2.791 76 T HA 0.578 4.903 4.350 -0.042 0.000 0.288 76 T C -0.316 174.441 174.700 0.096 0.000 0.999 76 T CA -0.379 61.792 62.100 0.119 0.000 0.952 76 T CB 1.374 70.301 68.868 0.099 0.000 0.938 76 T HN 0.732 nan 8.240 nan 0.000 0.444 77 V N 0.975 120.953 119.914 0.108 0.000 2.975 77 V HA 0.913 5.008 4.120 -0.042 0.000 0.318 77 V C 0.004 176.157 176.094 0.098 0.000 1.077 77 V CA -0.881 61.465 62.300 0.078 0.000 1.000 77 V CB 2.036 33.883 31.823 0.039 0.000 1.066 77 V HN 0.746 nan 8.190 nan 0.000 0.452 78 S N 1.780 117.519 115.700 0.064 0.000 2.594 78 S HA 0.432 4.877 4.470 -0.042 0.000 0.322 78 S C 0.442 175.070 174.600 0.045 0.000 1.085 78 S CA -0.351 57.889 58.200 0.067 0.000 1.116 78 S CB 1.038 64.261 63.200 0.039 0.000 0.979 78 S HN 0.785 nan 8.310 nan 0.000 0.465 79 V N 5.004 124.959 119.914 0.068 0.000 2.548 79 V HA -0.088 4.007 4.120 -0.042 0.000 0.249 79 V C 2.522 178.623 176.094 0.011 0.000 1.055 79 V CA 2.304 64.606 62.300 0.003 0.000 1.065 79 V CB -0.972 30.830 31.823 -0.035 0.000 0.681 79 V HN 0.879 nan 8.190 nan 0.000 0.462 80 T N 0.772 115.346 114.554 0.034 0.000 2.746 80 T HA -0.142 4.183 4.350 -0.042 0.000 0.267 80 T C 1.552 176.256 174.700 0.007 0.000 1.039 80 T CA 1.650 63.761 62.100 0.018 0.000 1.142 80 T CB -0.278 68.599 68.868 0.016 0.000 0.866 80 T HN 0.447 nan 8.240 nan 0.000 0.444 81 N N 0.364 119.069 118.700 0.009 0.000 2.280 81 N HA 0.190 4.905 4.740 -0.042 0.000 0.192 81 N C 1.185 176.695 175.510 0.000 0.000 1.109 81 N CA 0.475 53.528 53.050 0.004 0.000 0.855 81 N CB 0.193 38.684 38.487 0.006 0.000 0.974 81 N HN 0.496 nan 8.380 nan 0.000 0.482 82 G N 1.579 110.376 108.800 -0.004 0.000 2.338 82 G HA2 -0.272 3.663 3.960 -0.042 0.000 0.296 82 G HA3 -0.272 3.663 3.960 -0.042 0.000 0.296 82 G C 0.048 174.945 174.900 -0.006 0.000 1.040 82 G CA 1.097 46.190 45.100 -0.012 0.000 1.004 82 G HN 0.459 nan 8.290 nan 0.000 0.509 83 T N -3.797 110.758 114.554 0.002 0.000 2.887 83 T HA 0.705 5.030 4.350 -0.042 0.000 0.292 83 T C -0.438 174.271 174.700 0.015 0.000 1.087 83 T CA -0.708 61.397 62.100 0.007 0.000 1.009 83 T CB 2.736 71.610 68.868 0.010 0.000 1.203 83 T HN 0.721 nan 8.240 nan 0.000 0.518 84 V N 1.969 121.893 119.914 0.017 0.000 2.328 84 V HA 0.325 4.420 4.120 -0.042 0.000 0.278 84 V C 0.887 176.998 176.094 0.029 0.000 1.021 84 V CA -0.525 61.791 62.300 0.027 0.000 0.838 84 V CB 0.463 32.301 31.823 0.024 0.000 0.999 84 V HN 0.866 nan 8.190 nan 0.000 0.447 85 I N 3.112 123.704 120.570 0.038 0.000 2.400 85 I HA 0.021 4.166 4.170 -0.042 0.000 0.248 85 I C 1.068 177.207 176.117 0.037 0.000 1.109 85 I CA 1.017 62.338 61.300 0.035 0.000 1.425 85 I CB 0.221 38.244 38.000 0.038 0.000 1.094 85 I HN 0.744 nan 8.210 nan 0.000 0.425 86 S N 0.002 115.731 115.700 0.049 0.000 2.570 86 S HA 0.843 5.288 4.470 -0.042 0.000 0.270 86 S C -1.004 173.633 174.600 0.061 0.000 1.149 86 S CA -0.411 57.819 58.200 0.050 0.000 0.837 86 S CB 2.295 65.529 63.200 0.055 0.000 1.124 86 S HN 0.188 nan 8.310 nan 0.000 0.465 87 A N 1.461 124.313 122.820 0.053 0.000 2.509 87 A HA 0.667 4.962 4.320 -0.042 0.000 0.282 87 A C -1.316 176.294 177.584 0.042 0.000 1.054 87 A CA -0.570 51.501 52.037 0.056 0.000 0.820 87 A CB 0.950 19.976 19.000 0.043 0.000 1.333 87 A HN 1.321 nan 8.150 nan 0.000 0.409 88 V N 1.888 121.829 119.914 0.046 0.000 2.735 88 V HA 0.447 4.542 4.120 -0.042 0.000 0.310 88 V C 0.103 176.196 176.094 -0.002 0.000 1.061 88 V CA -0.734 61.579 62.300 0.022 0.000 0.913 88 V CB 1.921 33.761 31.823 0.029 0.000 1.005 88 V HN 0.918 nan 8.190 nan 0.000 0.428 89 E N 2.921 123.108 120.200 -0.022 0.000 2.331 89 E HA 0.498 4.823 4.350 -0.042 0.000 0.272 89 E C -1.219 175.331 176.600 -0.084 0.000 1.036 89 E CA -0.386 55.984 56.400 -0.049 0.000 0.864 89 E CB 1.435 31.108 29.700 -0.045 0.000 1.035 89 E HN 0.440 nan 8.360 nan 0.000 0.408 90 L N 2.343 123.483 121.223 -0.138 0.000 2.307 90 L HA 0.252 4.567 4.340 -0.042 0.000 0.284 90 L C 0.154 176.912 176.870 -0.187 0.000 1.023 90 L CA -0.648 54.066 54.840 -0.210 0.000 0.810 90 L CB 1.238 43.056 42.059 -0.400 0.000 1.231 90 L HN 0.415 nan 8.230 nan 0.000 0.423 91 D N 1.798 122.099 120.400 -0.165 0.000 2.494 91 D HA 0.028 4.643 4.640 -0.042 0.000 0.217 91 D C 1.339 177.533 176.300 -0.177 0.000 1.153 91 D CA -0.141 53.776 54.000 -0.137 0.000 0.954 91 D CB 1.166 41.906 40.800 -0.100 0.000 1.034 91 D HN 0.720 nan 8.370 nan 0.000 0.518 92 T N 0.497 114.932 114.554 -0.200 0.000 2.849 92 T HA -0.172 4.153 4.350 -0.042 0.000 0.270 92 T C 1.801 176.390 174.700 -0.185 0.000 1.066 92 T CA 1.074 63.040 62.100 -0.224 0.000 1.130 92 T CB -0.030 68.721 68.868 -0.195 0.000 0.864 92 T HN 0.254 nan 8.240 nan 0.000 0.481 93 A N 1.125 123.855 122.820 -0.149 0.000 2.015 93 A HA 0.500 4.795 4.320 -0.042 0.000 0.219 93 A C 2.657 180.135 177.584 -0.177 0.000 1.163 93 A CA 1.439 53.391 52.037 -0.143 0.000 0.646 93 A CB -1.007 17.931 19.000 -0.103 0.000 0.806 93 A HN 0.749 nan 8.150 nan 0.000 0.448 94 A N -0.598 122.123 122.820 -0.166 0.000 1.862 94 A HA 0.081 4.376 4.320 -0.042 0.000 0.211 94 A C 2.215 179.680 177.584 -0.198 0.000 1.220 94 A CA 1.869 53.812 52.037 -0.158 0.000 0.616 94 A CB -0.895 18.044 19.000 -0.101 0.000 0.878 94 A HN 0.643 nan 8.150 nan 0.000 0.453 95 T N -3.135 111.327 114.554 -0.153 0.000 3.107 95 T HA 0.465 4.790 4.350 -0.042 0.000 0.249 95 T C 0.888 175.611 174.700 0.039 0.000 1.096 95 T CA 0.806 62.886 62.100 -0.032 0.000 1.012 95 T CB -0.262 68.602 68.868 -0.007 0.000 0.977 95 T HN 1.912 nan 8.240 nan 0.000 0.527 96 G N 1.239 109.941 108.800 -0.162 0.000 2.675 96 G HA2 -0.010 3.925 3.960 -0.042 0.000 0.686 96 G HA3 -0.010 3.925 3.960 -0.042 0.000 0.686 96 G C -0.934 173.889 174.900 -0.128 0.000 1.215 96 G CA -1.060 44.007 45.100 -0.055 0.000 0.777 96 G HN 0.288 nan 8.290 nan 0.000 0.638 97 E N -0.253 119.897 120.200 -0.083 0.000 2.371 97 E HA 0.522 4.847 4.350 -0.042 0.000 0.257 97 E C 0.738 177.307 176.600 -0.052 0.000 1.134 97 E CA -0.588 55.747 56.400 -0.108 0.000 0.919 97 E CB 0.947 30.605 29.700 -0.069 0.000 1.025 97 E HN 0.380 nan 8.360 nan 0.000 0.438 98 L N 1.733 122.914 121.223 -0.069 0.000 2.466 98 L HA 0.203 4.518 4.340 -0.042 0.000 0.257 98 L C -2.069 174.833 176.870 0.054 0.000 1.189 98 L CA -1.395 53.474 54.840 0.048 0.000 0.813 98 L CB -0.567 41.511 42.059 0.033 0.000 1.118 98 L HN 0.260 nan 8.230 nan 0.000 0.471 99 P HA 0.006 nan 4.420 nan 0.000 0.266 99 P C -0.858 176.433 177.300 -0.016 0.000 1.195 99 P CA -0.271 62.861 63.100 0.054 0.000 0.768 99 P CB 0.312 32.088 31.700 0.127 0.000 0.838 100 V N 4.819 124.692 119.914 -0.068 0.000 2.617 100 V HA -0.102 3.993 4.120 -0.042 0.000 0.304 100 V C 0.888 176.974 176.094 -0.013 0.000 1.040 100 V CA 0.529 62.802 62.300 -0.045 0.000 1.149 100 V CB -0.522 31.271 31.823 -0.049 0.000 0.914 100 V HN 0.359 nan 8.190 nan 0.000 0.487 101 L N 3.907 125.073 121.223 -0.095 0.000 2.371 101 L HA 0.240 4.555 4.340 -0.042 0.000 0.272 101 L C 1.614 178.259 176.870 -0.375 0.000 1.124 101 L CA 0.010 54.746 54.840 -0.173 0.000 0.816 101 L CB 0.894 42.846 42.059 -0.179 0.000 1.129 101 L HN 0.784 nan 8.230 nan 0.000 0.448 102 E N 1.950 121.860 120.200 -0.484 0.000 2.118 102 E HA -0.255 4.070 4.350 -0.042 0.000 0.195 102 E C 1.510 177.717 176.600 -0.654 0.000 0.992 102 E CA 1.719 57.557 56.400 -0.937 0.000 0.804 102 E CB 0.190 29.682 29.700 -0.347 0.000 0.741 102 E HN 0.780 nan 8.360 nan 0.000 0.458 103 E N 0.088 120.115 120.200 -0.288 0.000 2.409 103 E HA -0.180 4.146 4.350 -0.042 0.000 0.198 103 E C 1.248 177.827 176.600 -0.035 0.000 1.024 103 E CA 0.933 57.267 56.400 -0.109 0.000 0.861 103 E CB -0.044 29.617 29.700 -0.065 0.000 0.788 103 E HN 0.399 nan 8.360 nan 0.000 0.521 104 E N -0.270 119.898 120.200 -0.054 0.000 2.479 104 E HA 0.011 4.336 4.350 -0.042 0.000 0.193 104 E C 0.879 177.635 176.600 0.261 0.000 1.049 104 E CA -0.224 56.223 56.400 0.079 0.000 0.870 104 E CB 0.042 29.777 29.700 0.058 0.000 0.944 104 E HN 0.226 nan 8.360 nan 0.000 0.492 105 F N 2.561 122.556 119.950 0.075 0.000 2.075 105 F HA -0.197 4.305 4.527 -0.040 0.000 0.297 105 F C 2.527 178.362 175.800 0.057 0.000 1.113 105 F CA 1.270 59.317 58.000 0.079 0.000 1.218 105 F CB -0.889 38.161 39.000 0.084 0.000 0.984 105 F HN 0.131 nan 8.300 nan 0.000 0.472 106 E N 0.207 120.563 120.200 0.258 0.000 2.150 106 E HA -0.134 4.191 4.350 -0.042 0.000 0.193 106 E C 2.402 179.059 176.600 0.094 0.000 0.985 106 E CA 1.103 57.590 56.400 0.145 0.000 0.814 106 E CB -1.344 28.426 29.700 0.117 0.000 0.752 106 E HN 0.261 nan 8.360 nan 0.000 0.466 107 V N 1.798 121.770 119.914 0.095 0.000 2.317 107 V HA -0.279 3.816 4.120 -0.042 0.000 0.251 107 V C 2.525 178.626 176.094 0.012 0.000 1.065 107 V CA 1.834 64.166 62.300 0.052 0.000 1.049 107 V CB -0.255 31.602 31.823 0.055 0.000 0.651 107 V HN 0.184 nan 8.190 nan 0.000 0.450 108 V N -0.444 119.479 119.914 0.016 0.000 2.343 108 V HA -0.278 3.817 4.120 -0.042 0.000 0.247 108 V C 2.368 178.386 176.094 -0.128 0.000 1.051 108 V CA 2.414 64.681 62.300 -0.056 0.000 1.036 108 V CB -0.727 31.079 31.823 -0.028 0.000 0.654 108 V HN 0.716 nan 8.190 nan 0.000 0.451 109 E N -0.040 120.124 120.200 -0.061 0.000 2.072 109 E HA -0.243 4.082 4.350 -0.042 0.000 0.190 109 E C 2.309 178.872 176.600 -0.061 0.000 0.982 109 E CA 1.247 57.610 56.400 -0.062 0.000 0.803 109 E CB -0.054 29.657 29.700 0.017 0.000 0.755 109 E HN 0.696 nan 8.360 nan 0.000 0.453 110 Q N 0.331 120.116 119.800 -0.025 0.000 2.030 110 Q HA -0.177 4.138 4.340 -0.042 0.000 0.204 110 Q C 2.458 178.434 176.000 -0.038 0.000 0.986 110 Q CA 1.680 57.477 55.803 -0.011 0.000 0.843 110 Q CB -0.137 28.607 28.738 0.011 0.000 0.904 110 Q HN 0.355 nan 8.270 nan 0.000 0.420 111 L N 0.206 121.389 121.223 -0.066 0.000 2.046 111 L HA -0.188 4.127 4.340 -0.042 0.000 0.208 111 L C 2.320 179.109 176.870 -0.136 0.000 1.077 111 L CA 0.877 55.668 54.840 -0.082 0.000 0.747 111 L CB -0.434 41.576 42.059 -0.082 0.000 0.896 111 L HN 0.260 nan 8.230 nan 0.000 0.432 112 L N -0.218 120.843 121.223 -0.270 0.000 2.141 112 L HA -0.138 4.177 4.340 -0.042 0.000 0.209 112 L C 2.833 179.582 176.870 -0.201 0.000 1.094 112 L CA 0.835 55.380 54.840 -0.492 0.000 0.763 112 L CB -0.651 40.669 42.059 -1.231 0.000 0.908 112 L HN 0.232 nan 8.230 nan 0.000 0.437 113 A N -0.161 122.628 122.820 -0.052 0.000 2.076 113 A HA -0.191 4.104 4.320 -0.042 0.000 0.220 113 A C 2.121 179.768 177.584 0.105 0.000 1.160 113 A CA 2.108 54.213 52.037 0.112 0.000 0.653 113 A CB -0.705 18.341 19.000 0.076 0.000 0.801 113 A HN 0.518 nan 8.150 nan 0.000 0.455 114 T N -3.534 111.052 114.554 0.053 0.000 3.085 114 T HA 0.265 4.591 4.350 -0.042 0.000 0.264 114 T C -0.085 174.646 174.700 0.052 0.000 1.019 114 T CA 0.185 62.315 62.100 0.049 0.000 0.910 114 T CB -0.306 68.577 68.868 0.026 0.000 1.059 114 T HN 0.299 nan 8.240 nan 0.000 0.542 115 D N 1.161 121.604 120.400 0.072 0.000 2.264 115 D HA 0.235 4.850 4.640 -0.042 0.000 0.250 115 D C 1.100 177.474 176.300 0.124 0.000 1.113 115 D CA -0.363 53.684 54.000 0.078 0.000 0.871 115 D CB 1.212 42.048 40.800 0.059 0.000 1.167 115 D HN 0.191 nan 8.370 nan 0.000 0.447 116 E N 2.167 122.414 120.200 0.078 0.000 2.150 116 E HA -0.165 4.160 4.350 -0.042 0.000 0.193 116 E C 1.717 178.361 176.600 0.073 0.000 0.985 116 E CA 0.769 57.208 56.400 0.065 0.000 0.814 116 E CB 0.235 29.957 29.700 0.037 0.000 0.752 116 E HN 0.441 nan 8.360 nan 0.000 0.466 117 R N 0.102 120.655 120.500 0.087 0.000 2.075 117 R HA -0.111 4.204 4.340 -0.042 0.000 0.232 117 R C 2.151 178.530 176.300 0.132 0.000 1.126 117 R CA 1.272 57.422 56.100 0.083 0.000 0.963 117 R CB -0.272 30.073 30.300 0.075 0.000 0.858 117 R HN 0.380 nan 8.270 nan 0.000 0.435 118 W N 1.422 122.701 121.300 -0.035 0.000 2.380 118 W HA -0.167 4.485 4.660 -0.012 0.000 0.317 118 W C 1.608 178.112 176.519 -0.026 0.000 1.196 118 W CA 1.246 58.571 57.345 -0.033 0.000 1.307 118 W CB -0.291 29.153 29.460 -0.028 0.000 1.157 118 W HN 0.061 nan 8.180 nan 0.000 0.483 119 L N 0.923 122.229 121.223 0.139 0.000 2.081 119 L HA -0.303 4.012 4.340 -0.042 0.000 0.212 119 L C 2.599 179.435 176.870 -0.058 0.000 1.080 119 L CA 1.922 56.773 54.840 0.018 0.000 0.754 119 L CB -0.895 41.204 42.059 0.066 0.000 0.893 119 L HN -0.003 nan 8.230 nan 0.000 0.433 120 K N 0.206 120.584 120.400 -0.036 0.000 2.097 120 K HA -0.152 4.143 4.320 -0.042 0.000 0.205 120 K C 2.146 178.684 176.600 -0.103 0.000 1.050 120 K CA 1.179 57.434 56.287 -0.053 0.000 0.938 120 K CB -0.047 32.437 32.500 -0.026 0.000 0.718 120 K HN 0.264 nan 8.250 nan 0.000 0.442 121 A N 1.301 124.027 122.820 -0.158 0.000 1.930 121 A HA -0.076 4.219 4.320 -0.042 0.000 0.217 121 A C 2.070 179.489 177.584 -0.274 0.000 1.175 121 A CA 1.062 52.965 52.037 -0.222 0.000 0.627 121 A CB -0.480 18.336 19.000 -0.306 0.000 0.815 121 A HN 0.296 nan 8.150 nan 0.000 0.443 122 L N -0.903 120.114 121.223 -0.342 0.000 2.056 122 L HA -0.152 4.163 4.340 -0.042 0.000 0.207 122 L C 3.102 179.872 176.870 -0.167 0.000 1.078 122 L CA 1.029 55.692 54.840 -0.295 0.000 0.749 122 L CB -0.692 41.184 42.059 -0.306 0.000 0.901 122 L HN 0.430 nan 8.230 nan 0.000 0.433 123 A N 0.353 123.097 122.820 -0.126 0.000 1.940 123 A HA -0.184 4.111 4.320 -0.042 0.000 0.219 123 A C 2.517 180.055 177.584 -0.076 0.000 1.176 123 A CA 1.761 53.750 52.037 -0.081 0.000 0.631 123 A CB -0.640 18.325 19.000 -0.058 0.000 0.814 123 A HN 0.408 nan 8.150 nan 0.000 0.446 124 A N -0.490 122.278 122.820 -0.087 0.000 2.019 124 A HA -0.110 4.185 4.320 -0.042 0.000 0.219 124 A C 2.119 179.658 177.584 -0.074 0.000 1.164 124 A CA 1.456 53.449 52.037 -0.074 0.000 0.644 124 A CB -0.306 18.648 19.000 -0.077 0.000 0.805 124 A HN 0.554 nan 8.150 nan 0.000 0.449 125 R N -1.226 119.218 120.500 -0.092 0.000 2.362 125 R HA 0.158 4.473 4.340 -0.042 0.000 0.227 125 R C -0.291 175.965 176.300 -0.073 0.000 0.905 125 R CA 0.376 56.426 56.100 -0.083 0.000 1.067 125 R CB -0.119 30.117 30.300 -0.107 0.000 1.078 125 R HN 0.682 nan 8.270 nan 0.000 0.516 126 N N 0.505 119.162 118.700 -0.070 0.000 2.747 126 N HA -0.176 4.539 4.740 -0.042 0.000 0.249 126 N C -1.182 174.291 175.510 -0.061 0.000 1.107 126 N CA 0.145 53.161 53.050 -0.057 0.000 0.707 126 N CB -1.096 37.365 38.487 -0.043 0.000 1.054 126 N HN 0.167 nan 8.380 nan 0.000 0.555 127 L N 0.261 121.435 121.223 -0.081 0.000 2.295 127 L HA 0.335 4.650 4.340 -0.042 0.000 0.285 127 L C 0.412 177.242 176.870 -0.066 0.000 1.035 127 L CA -0.765 54.026 54.840 -0.082 0.000 0.806 127 L CB 0.940 42.930 42.059 -0.115 0.000 1.214 127 L HN 0.055 nan 8.230 nan 0.000 0.426 128 D N 2.251 122.624 120.400 -0.044 0.000 2.343 128 D HA -0.002 4.613 4.640 -0.042 0.000 0.255 128 D C 0.840 177.134 176.300 -0.010 0.000 1.187 128 D CA 0.063 54.050 54.000 -0.022 0.000 0.875 128 D CB 1.787 42.580 40.800 -0.011 0.000 1.136 128 D HN 0.278 nan 8.370 nan 0.000 0.469 129 V N 3.962 123.879 119.914 0.005 0.000 2.453 129 V HA -0.272 3.823 4.120 -0.042 0.000 0.252 129 V C 2.081 178.212 176.094 0.063 0.000 1.068 129 V CA 2.913 65.242 62.300 0.048 0.000 1.070 129 V CB -0.518 31.351 31.823 0.077 0.000 0.664 129 V HN 0.754 nan 8.190 nan 0.000 0.461 130 S N -1.461 114.263 115.700 0.042 0.000 2.515 130 S HA -0.086 4.359 4.470 -0.042 0.000 0.231 130 S C 1.666 176.286 174.600 0.033 0.000 0.987 130 S CA 1.067 59.292 58.200 0.040 0.000 0.936 130 S CB -0.326 62.893 63.200 0.032 0.000 0.766 130 S HN 0.729 nan 8.310 nan 0.000 0.528 131 K N 0.563 120.976 120.400 0.022 0.000 2.358 131 K HA 0.315 4.610 4.320 -0.042 0.000 0.200 131 K C -0.816 175.788 176.600 0.008 0.000 1.030 131 K CA -0.070 56.221 56.287 0.007 0.000 1.097 131 K CB 1.123 33.617 32.500 -0.010 0.000 0.862 131 K HN 0.196 nan 8.250 nan 0.000 0.534 132 V N 3.421 123.358 119.914 0.039 0.000 2.318 132 V HA 0.214 4.309 4.120 -0.042 0.000 0.271 132 V C 0.082 176.238 176.094 0.103 0.000 1.030 132 V CA -0.775 61.564 62.300 0.065 0.000 0.844 132 V CB 0.683 32.559 31.823 0.088 0.000 1.015 132 V HN 0.156 nan 8.190 nan 0.000 0.460 133 R N 3.342 123.883 120.500 0.068 0.000 2.441 133 R HA 0.583 4.898 4.340 -0.042 0.000 0.284 133 R C -0.693 175.684 176.300 0.129 0.000 1.070 133 R CA -0.338 55.794 56.100 0.054 0.000 1.047 133 R CB 1.648 31.920 30.300 -0.046 0.000 1.016 133 R HN 0.443 nan 8.270 nan 0.000 0.477 134 V N 1.659 121.641 119.914 0.113 0.000 2.588 134 V HA 0.477 4.572 4.120 -0.042 0.000 0.304 134 V C -0.059 176.104 176.094 0.115 0.000 1.042 134 V CA -1.203 61.189 62.300 0.153 0.000 0.877 134 V CB 1.873 33.745 31.823 0.082 0.000 0.996 134 V HN 0.857 nan 8.190 nan 0.000 0.425 135 A N 6.301 129.239 122.820 0.196 0.000 2.320 135 A HA 0.754 5.049 4.320 -0.042 0.000 0.287 135 A C -2.558 175.110 177.584 0.140 0.000 1.181 135 A CA -1.599 50.531 52.037 0.154 0.000 0.831 135 A CB 0.466 19.645 19.000 0.299 0.000 1.102 135 A HN 0.639 nan 8.150 nan 0.000 0.513 136 P HA 0.280 nan 4.420 nan 0.000 0.260 136 P C -0.920 176.476 177.300 0.160 0.000 1.651 136 P CA 0.234 63.392 63.100 0.098 0.000 1.139 136 P CB -0.052 31.701 31.700 0.089 0.000 1.756 137 L N 1.434 122.800 121.223 0.239 0.000 2.325 137 L HA 0.387 4.702 4.340 -0.042 0.000 0.279 137 L C 1.014 178.166 176.870 0.470 0.000 1.054 137 L CA -0.806 54.265 54.840 0.385 0.000 0.804 137 L CB 1.041 43.484 42.059 0.640 0.000 1.200 137 L HN 0.223 nan 8.230 nan 0.000 0.436 138 S N 1.270 117.358 115.700 0.646 0.000 2.563 138 S HA 0.196 4.641 4.470 -0.042 0.000 0.284 138 S C 0.852 175.737 174.600 0.475 0.000 1.331 138 S CA -0.078 58.407 58.200 0.475 0.000 1.047 138 S CB 1.405 64.917 63.200 0.520 0.000 0.859 138 S HN 0.740 nan 8.310 nan 0.000 0.514 139 A N 3.072 126.046 122.820 0.258 0.000 1.997 139 A HA 0.584 4.879 4.320 -0.042 0.000 0.212 139 A C 1.552 179.356 177.584 0.366 0.000 1.178 139 A CA 0.668 52.812 52.037 0.177 0.000 0.698 139 A CB -1.463 17.525 19.000 -0.020 0.000 0.842 139 A HN 2.346 nan 8.150 nan 0.000 0.458 140 G N -1.713 107.254 108.800 0.277 0.000 2.645 140 G HA2 -0.046 3.889 3.960 -0.042 0.000 0.239 140 G HA3 -0.046 3.889 3.960 -0.042 0.000 0.239 140 G C -0.414 174.453 174.900 -0.055 0.000 1.331 140 G CA -0.207 44.995 45.100 0.171 0.000 0.890 140 G HN 1.129 nan 8.290 nan 0.000 0.572 141 V N 1.013 120.646 119.914 -0.469 0.000 2.447 141 V HA 0.717 4.812 4.120 -0.042 0.000 0.292 141 V C -0.175 175.411 176.094 -0.846 0.000 1.021 141 V CA -0.341 61.701 62.300 -0.430 0.000 0.850 141 V CB 1.114 32.771 31.823 -0.276 0.000 1.005 141 V HN 0.706 nan 8.190 nan 0.000 0.426 142 F N 1.936 121.876 119.950 -0.017 0.000 3.255 142 F HA 0.442 4.945 4.527 -0.040 0.000 0.204 142 F C 1.583 177.251 175.800 -0.221 0.000 1.613 142 F CA -0.524 57.411 58.000 -0.108 0.000 0.925 142 F CB 0.254 39.190 39.000 -0.107 0.000 1.893 142 F HN 0.441 nan 8.300 nan 0.000 0.306 143 E N 0.491 120.537 120.200 -0.256 0.000 2.463 143 E HA 0.011 4.336 4.350 -0.042 0.000 0.193 143 E C -1.042 175.384 176.600 -0.291 0.000 1.041 143 E CA 0.165 56.395 56.400 -0.283 0.000 0.879 143 E CB -0.746 28.811 29.700 -0.239 0.000 0.997 143 E HN 0.478 nan 8.360 nan 0.000 0.478 144 Y N 1.350 121.704 120.300 0.090 0.000 2.627 144 Y HA 0.448 4.974 4.550 -0.041 0.000 0.347 144 Y C 1.611 177.527 175.900 0.028 0.000 1.099 144 Y CA -0.336 57.801 58.100 0.062 0.000 1.408 144 Y CB 0.657 39.151 38.460 0.055 0.000 1.247 144 Y HN 0.078 nan 8.280 nan 0.000 0.506 145 A N 2.408 125.304 122.820 0.126 0.000 1.986 145 A HA -0.226 4.069 4.320 -0.042 0.000 0.220 145 A C 2.178 179.800 177.584 0.063 0.000 1.171 145 A CA 1.885 53.962 52.037 0.066 0.000 0.640 145 A CB -0.276 18.751 19.000 0.046 0.000 0.811 145 A HN 0.742 nan 8.150 nan 0.000 0.451 146 E N 0.509 120.761 120.200 0.088 0.000 2.347 146 E HA -0.178 4.147 4.350 -0.042 0.000 0.196 146 E C 1.213 177.838 176.600 0.042 0.000 1.008 146 E CA 1.303 57.737 56.400 0.057 0.000 0.852 146 E CB -0.418 29.318 29.700 0.059 0.000 0.783 146 E HN 0.773 nan 8.360 nan 0.000 0.505 147 E N 0.809 121.046 120.200 0.061 0.000 2.299 147 E HA 0.027 4.353 4.350 -0.042 0.000 0.193 147 E C 0.233 176.834 176.600 0.000 0.000 0.998 147 E CA -0.104 56.314 56.400 0.030 0.000 0.851 147 E CB 0.067 29.798 29.700 0.051 0.000 0.795 147 E HN 0.187 nan 8.360 nan 0.000 0.492 148 R N 0.459 120.956 120.500 -0.005 0.000 2.446 148 R HA 0.108 4.423 4.340 -0.042 0.000 0.314 148 R C 0.832 177.106 176.300 -0.043 0.000 1.003 148 R CA 0.695 56.773 56.100 -0.037 0.000 1.018 148 R CB 0.204 30.480 30.300 -0.041 0.000 0.945 148 R HN 0.298 nan 8.270 nan 0.000 0.419 149 G N 2.258 111.023 108.800 -0.059 0.000 2.254 149 G HA2 -0.228 3.707 3.960 -0.042 0.000 0.225 149 G HA3 -0.228 3.707 3.960 -0.042 0.000 0.225 149 G C 0.023 174.897 174.900 -0.044 0.000 1.003 149 G CA -0.502 44.562 45.100 -0.059 0.000 0.622 149 G HN 0.416 nan 8.290 nan 0.000 0.507 150 R N 0.456 120.938 120.500 -0.031 0.000 2.457 150 R HA 0.566 4.881 4.340 -0.042 0.000 0.284 150 R C 0.340 176.628 176.300 -0.019 0.000 1.024 150 R CA -1.071 55.019 56.100 -0.018 0.000 1.025 150 R CB 0.769 31.063 30.300 -0.011 0.000 1.063 150 R HN 0.358 nan 8.270 nan 0.000 0.493 151 R N 3.300 123.797 120.500 -0.006 0.000 2.408 151 R HA 0.212 4.527 4.340 -0.042 0.000 0.308 151 R C -0.262 176.032 176.300 -0.010 0.000 1.210 151 R CA -0.261 55.834 56.100 -0.008 0.000 1.115 151 R CB 0.018 30.327 30.300 0.016 0.000 1.127 151 R HN 0.349 nan 8.270 nan 0.000 0.523 152 I N 4.601 125.158 120.570 -0.021 0.000 2.577 152 I HA 0.345 4.490 4.170 -0.042 0.000 0.300 152 I C 0.176 176.279 176.117 -0.023 0.000 0.990 152 I CA -0.860 60.420 61.300 -0.033 0.000 1.283 152 I CB 1.385 39.345 38.000 -0.067 0.000 1.411 152 I HN 0.544 nan 8.210 nan 0.000 0.515 153 L N 4.882 126.090 121.223 -0.025 0.000 2.431 153 L HA 0.488 4.803 4.340 -0.042 0.000 0.266 153 L C -0.197 176.648 176.870 -0.042 0.000 0.978 153 L CA -0.728 54.116 54.840 0.007 0.000 0.822 153 L CB 2.555 44.645 42.059 0.051 0.000 1.310 153 L HN 0.569 nan 8.230 nan 0.000 0.409 154 R N 0.991 121.452 120.500 -0.066 0.000 2.643 154 R HA 0.760 5.075 4.340 -0.042 0.000 0.272 154 R C -0.208 176.111 176.300 0.031 0.000 0.995 154 R CA -0.783 55.228 56.100 -0.148 0.000 1.032 154 R CB 1.915 31.796 30.300 -0.697 0.000 1.126 154 R HN 0.727 nan 8.270 nan 0.000 0.505 155 G N 1.438 110.273 108.800 0.059 0.000 2.617 155 G HA2 0.591 4.526 3.960 -0.042 0.000 0.306 155 G HA3 0.591 4.526 3.960 -0.042 0.000 0.306 155 G C -1.189 173.878 174.900 0.279 0.000 1.360 155 G CA -0.597 44.582 45.100 0.132 0.000 0.983 155 G HN 0.271 nan 8.290 nan 0.000 0.496 156 L N 1.384 122.843 121.223 0.393 0.000 2.365 156 L HA 0.719 5.034 4.340 -0.042 0.000 0.273 156 L C 0.476 177.499 176.870 0.254 0.000 1.000 156 L CA -1.036 54.033 54.840 0.382 0.000 0.819 156 L CB 2.260 44.651 42.059 0.553 0.000 1.284 156 L HN 0.661 nan 8.230 nan 0.000 0.418 157 A N 3.019 125.864 122.820 0.041 0.000 2.310 157 A HA 0.805 5.100 4.320 -0.042 0.000 0.299 157 A C -1.163 176.060 177.584 -0.601 0.000 1.147 157 A CA -0.094 51.915 52.037 -0.047 0.000 0.818 157 A CB 0.266 19.305 19.000 0.065 0.000 1.096 157 A HN 0.504 nan 8.150 nan 0.000 0.495 158 F N 1.462 121.365 119.950 -0.078 0.000 2.562 158 F HA 0.373 4.878 4.527 -0.035 0.000 0.319 158 F C -0.057 175.671 175.800 -0.120 0.000 1.154 158 F CA -0.670 57.230 58.000 -0.167 0.000 0.931 158 F CB 2.110 40.855 39.000 -0.424 0.000 1.198 158 F HN 0.309 nan 8.300 nan 0.000 0.444 159 V N 3.266 123.215 119.914 0.058 0.000 2.555 159 V HA 0.158 4.253 4.120 -0.042 0.000 0.286 159 V C -0.091 176.032 176.094 0.047 0.000 1.044 159 V CA -0.252 62.062 62.300 0.022 0.000 1.026 159 V CB 1.207 33.006 31.823 -0.041 0.000 0.981 159 V HN 0.763 nan 8.190 nan 0.000 0.480 160 Q N 2.877 122.659 119.800 -0.030 0.000 2.413 160 Q HA 0.219 4.534 4.340 -0.042 0.000 0.258 160 Q C 0.107 176.036 176.000 -0.119 0.000 1.037 160 Q CA -0.631 55.119 55.803 -0.089 0.000 0.764 160 Q CB 1.089 29.759 28.738 -0.114 0.000 1.217 160 Q HN 0.775 nan 8.270 nan 0.000 0.490 161 D N 3.058 123.356 120.400 -0.170 0.000 2.221 161 D HA -0.068 4.547 4.640 -0.042 0.000 0.204 161 D C 0.098 176.479 176.300 0.135 0.000 0.982 161 D CA 1.370 55.342 54.000 -0.046 0.000 0.857 161 D CB 0.065 40.890 40.800 0.042 0.000 0.934 161 D HN 0.434 nan 8.370 nan 0.000 0.475 162 F N -5.071 114.873 119.950 -0.010 0.000 2.773 162 F HA 0.367 4.865 4.527 -0.048 0.000 0.314 162 F C -2.457 173.335 175.800 -0.013 0.000 1.160 162 F CA -2.010 55.982 58.000 -0.015 0.000 0.920 162 F CB 0.499 39.485 39.000 -0.024 0.000 1.323 162 F HN -0.430 nan 8.300 nan 0.000 0.457 163 P HA -0.169 nan 4.420 nan 0.000 0.215 163 P C 0.645 177.965 177.300 0.033 0.000 1.163 163 P CA 2.116 65.269 63.100 0.088 0.000 0.894 163 P CB 0.165 31.935 31.700 0.116 0.000 0.791 164 E N -0.771 119.520 120.200 0.151 0.000 2.403 164 E HA 0.047 4.372 4.350 -0.042 0.000 0.188 164 E C -0.030 176.468 176.600 -0.169 0.000 1.056 164 E CA 0.139 56.578 56.400 0.064 0.000 0.892 164 E CB -0.680 29.123 29.700 0.173 0.000 1.049 164 E HN 0.349 nan 8.360 nan 0.000 0.465 165 D N 0.449 120.460 120.400 -0.648 0.000 2.302 165 D HA 0.013 4.628 4.640 -0.042 0.000 0.248 165 D C -0.473 175.592 176.300 -0.391 0.000 1.094 165 D CA -0.187 53.266 54.000 -0.912 0.000 0.897 165 D CB 1.025 40.923 40.800 -1.504 0.000 1.200 165 D HN -0.215 nan 8.370 nan 0.000 0.429 166 S N 2.472 118.015 115.700 -0.261 0.000 2.405 166 S HA 0.416 4.861 4.470 -0.042 0.000 0.291 166 S C 1.059 175.598 174.600 -0.102 0.000 1.137 166 S CA -0.208 57.926 58.200 -0.110 0.000 1.061 166 S CB 0.408 63.587 63.200 -0.036 0.000 1.001 166 S HN 0.515 nan 8.310 nan 0.000 0.507 167 A N 5.103 127.777 122.820 -0.243 0.000 2.015 167 A HA -0.004 4.291 4.320 -0.042 0.000 0.219 167 A C 1.437 178.896 177.584 -0.208 0.000 1.163 167 A CA 0.837 52.727 52.037 -0.245 0.000 0.646 167 A CB -0.748 18.015 19.000 -0.395 0.000 0.806 167 A HN 0.997 nan 8.150 nan 0.000 0.448 168 W N -0.078 121.223 121.300 0.002 0.000 2.387 168 W HA -0.030 4.610 4.660 -0.033 0.000 0.272 168 W C 2.423 179.064 176.519 0.203 0.000 1.224 168 W CA 0.846 58.202 57.345 0.019 0.000 1.210 168 W CB -0.184 29.272 29.460 -0.006 0.000 1.125 168 W HN 0.369 nan 8.180 nan 0.000 0.572 169 A N -0.599 122.398 122.820 0.295 0.000 2.119 169 A HA -0.089 4.206 4.320 -0.042 0.000 0.217 169 A C 0.636 178.044 177.584 -0.294 0.000 1.153 169 A CA 0.917 52.991 52.037 0.062 0.000 0.692 169 A CB -0.629 18.310 19.000 -0.102 0.000 0.799 169 A HN 0.345 nan 8.150 nan 0.000 0.458 170 H N -0.298 118.882 119.070 0.182 0.000 2.386 170 H HA 0.259 4.802 4.556 -0.021 0.000 0.232 170 H C -2.918 172.417 175.328 0.011 0.000 1.416 170 H CA -2.290 53.804 56.048 0.077 0.000 1.285 170 H CB -0.250 29.536 29.762 0.040 0.000 1.625 170 H HN 0.361 nan 8.280 nan 0.000 0.521 171 P HA 0.032 nan 4.420 nan 0.000 0.275 171 P C 0.284 177.420 177.300 -0.273 0.000 1.228 171 P CA -0.351 62.565 63.100 -0.306 0.000 0.786 171 P CB 2.050 33.646 31.700 -0.174 0.000 0.927 172 V N 3.320 122.989 119.914 -0.408 0.000 2.259 172 V HA 0.151 4.247 4.120 -0.042 0.000 0.267 172 V C 0.681 176.629 176.094 -0.244 0.000 1.051 172 V CA -0.313 61.836 62.300 -0.252 0.000 0.830 172 V CB 0.276 31.949 31.823 -0.250 0.000 1.080 172 V HN 0.534 nan 8.190 nan 0.000 0.467 173 D N 3.014 123.275 120.400 -0.231 0.000 2.398 173 D HA 0.375 4.990 4.640 -0.042 0.000 0.247 173 D C 1.365 177.559 176.300 -0.177 0.000 1.227 173 D CA 1.376 55.154 54.000 -0.371 0.000 0.980 173 D CB 1.647 41.944 40.800 -0.838 0.000 1.106 173 D HN 0.736 nan 8.370 nan 0.000 0.493 174 G N -0.146 108.533 108.800 -0.201 0.000 2.168 174 G HA2 -0.224 3.712 3.960 -0.042 0.000 0.263 174 G HA3 -0.224 3.712 3.960 -0.042 0.000 0.263 174 G C -0.058 174.885 174.900 0.072 0.000 0.977 174 G CA 0.743 45.935 45.100 0.152 0.000 0.659 174 G HN 0.498 nan 8.290 nan 0.000 0.533 175 L N -0.336 120.894 121.223 0.010 0.000 2.455 175 L HA 0.905 5.220 4.340 -0.042 0.000 0.264 175 L C -0.857 176.084 176.870 0.119 0.000 0.968 175 L CA -1.035 53.816 54.840 0.017 0.000 0.827 175 L CB 2.466 44.458 42.059 -0.113 0.000 1.317 175 L HN 0.659 nan 8.230 nan 0.000 0.407 176 V N 4.029 124.043 119.914 0.167 0.000 2.891 176 V HA 0.953 5.048 4.120 -0.042 0.000 0.304 176 V C -1.212 174.930 176.094 0.079 0.000 1.171 176 V CA 0.328 62.758 62.300 0.217 0.000 0.943 176 V CB 2.003 33.982 31.823 0.261 0.000 1.037 176 V HN 1.210 nan 8.190 nan 0.000 0.427 177 A N 5.487 128.350 122.820 0.072 0.000 2.355 177 A HA 0.967 5.262 4.320 -0.042 0.000 0.324 177 A C -1.859 175.694 177.584 -0.052 0.000 1.117 177 A CA -0.462 51.495 52.037 -0.133 0.000 0.785 177 A CB 1.483 20.311 19.000 -0.286 0.000 1.254 177 A HN 0.844 nan 8.150 nan 0.000 0.453 178 Y N 0.364 120.528 120.300 -0.227 0.000 2.393 178 Y HA 0.616 5.142 4.550 -0.040 0.000 0.341 178 Y C -0.160 175.623 175.900 -0.195 0.000 0.988 178 Y CA -1.681 56.264 58.100 -0.257 0.000 1.078 178 Y CB 1.751 40.016 38.460 -0.325 0.000 1.203 178 Y HN 0.350 nan 8.280 nan 0.000 0.453 179 V N 3.028 122.937 119.914 -0.008 0.000 2.638 179 V HA 0.220 4.315 4.120 -0.042 0.000 0.306 179 V C -0.696 175.383 176.094 -0.025 0.000 1.052 179 V CA -1.107 61.169 62.300 -0.040 0.000 0.885 179 V CB 2.245 34.025 31.823 -0.072 0.000 0.999 179 V HN 0.685 nan 8.190 nan 0.000 0.424 180 D N 3.357 123.745 120.400 -0.019 0.000 2.365 180 D HA 0.130 4.745 4.640 -0.042 0.000 0.237 180 D C 1.047 177.347 176.300 -0.000 0.000 1.190 180 D CA -0.158 53.837 54.000 -0.009 0.000 0.867 180 D CB 1.948 42.744 40.800 -0.006 0.000 1.050 180 D HN 0.476 nan 8.370 nan 0.000 0.491 181 V N 2.652 122.571 119.914 0.010 0.000 3.305 181 V HA -0.096 3.999 4.120 -0.042 0.000 0.269 181 V C 1.677 177.799 176.094 0.046 0.000 1.157 181 V CA 1.304 63.619 62.300 0.024 0.000 1.157 181 V CB -0.629 31.211 31.823 0.028 0.000 0.772 181 V HN 0.479 nan 8.190 nan 0.000 0.498 182 V N -0.613 119.330 119.914 0.049 0.000 2.788 182 V HA 0.101 4.197 4.120 -0.042 0.000 0.241 182 V C 2.404 178.516 176.094 0.029 0.000 1.083 182 V CA 1.529 63.865 62.300 0.061 0.000 1.103 182 V CB -0.185 31.683 31.823 0.074 0.000 0.800 182 V HN 0.602 nan 8.190 nan 0.000 0.476 183 S N -0.386 115.324 115.700 0.016 0.000 2.562 183 S HA 0.101 4.546 4.470 -0.042 0.000 0.221 183 S C 1.012 175.615 174.600 0.005 0.000 0.975 183 S CA 0.483 58.687 58.200 0.007 0.000 0.918 183 S CB -0.695 62.506 63.200 0.001 0.000 0.772 183 S HN 0.706 nan 8.310 nan 0.000 0.531 184 K N 1.084 121.488 120.400 0.007 0.000 3.150 184 K HA -0.149 4.146 4.320 -0.042 0.000 0.267 184 K C -1.054 175.540 176.600 -0.011 0.000 1.028 184 K CA 0.874 57.161 56.287 0.000 0.000 0.753 184 K CB -1.751 30.753 32.500 0.006 0.000 1.288 184 K HN 0.706 nan 8.250 nan 0.000 0.473 185 E N 0.036 120.226 120.200 -0.015 0.000 2.238 185 E HA 0.308 4.633 4.350 -0.042 0.000 0.267 185 E C -0.371 176.208 176.600 -0.036 0.000 0.887 185 E CA -0.957 55.430 56.400 -0.022 0.000 0.769 185 E CB 2.276 31.968 29.700 -0.014 0.000 1.187 185 E HN -0.060 nan 8.360 nan 0.000 0.416 186 V N 3.466 123.352 119.914 -0.048 0.000 2.352 186 V HA -0.046 4.049 4.120 -0.042 0.000 0.253 186 V C 1.583 177.645 176.094 -0.053 0.000 1.083 186 V CA 0.510 62.767 62.300 -0.071 0.000 0.993 186 V CB -0.090 31.678 31.823 -0.091 0.000 1.111 186 V HN 0.935 nan 8.190 nan 0.000 0.490 187 T N 2.740 117.271 114.554 -0.040 0.000 2.881 187 T HA -0.039 4.286 4.350 -0.042 0.000 0.270 187 T C 0.864 175.527 174.700 -0.061 0.000 1.068 187 T CA 0.961 63.043 62.100 -0.029 0.000 1.131 187 T CB 0.258 69.123 68.868 -0.004 0.000 0.871 187 T HN 0.542 nan 8.240 nan 0.000 0.479 188 R N -1.221 119.208 120.500 -0.118 0.000 2.690 188 R HA 0.637 4.952 4.340 -0.042 0.000 0.269 188 R C -2.251 173.884 176.300 -0.275 0.000 1.037 188 R CA -0.765 55.197 56.100 -0.230 0.000 0.877 188 R CB 2.610 32.659 30.300 -0.420 0.000 1.255 188 R HN 0.072 nan 8.270 nan 0.000 0.467 189 V N 3.283 123.068 119.914 -0.214 0.000 2.612 189 V HA 0.501 4.596 4.120 -0.042 0.000 0.301 189 V C -0.678 175.340 176.094 -0.125 0.000 1.059 189 V CA -0.596 61.644 62.300 -0.100 0.000 0.886 189 V CB 2.026 33.897 31.823 0.079 0.000 1.007 189 V HN 0.546 nan 8.190 nan 0.000 0.426 190 I N 3.764 124.251 120.570 -0.137 0.000 2.433 190 I HA 0.544 4.689 4.170 -0.042 0.000 0.292 190 I C -1.043 175.064 176.117 -0.016 0.000 1.001 190 I CA -0.298 60.946 61.300 -0.093 0.000 1.119 190 I CB 2.121 40.042 38.000 -0.132 0.000 1.289 190 I HN 0.535 nan 8.210 nan 0.000 0.438 191 D N 4.210 124.606 120.400 -0.005 0.000 2.421 191 D HA 0.155 4.770 4.640 -0.042 0.000 0.254 191 D C 0.747 177.063 176.300 0.026 0.000 1.238 191 D CA -0.280 53.723 54.000 0.005 0.000 0.919 191 D CB 1.587 42.374 40.800 -0.022 0.000 1.152 191 D HN 0.656 nan 8.370 nan 0.000 0.552 192 T N 0.163 114.757 114.554 0.066 0.000 3.088 192 T HA 0.440 4.765 4.350 -0.042 0.000 0.259 192 T C 0.997 175.741 174.700 0.073 0.000 1.122 192 T CA 0.372 62.522 62.100 0.083 0.000 1.095 192 T CB 0.340 69.288 68.868 0.132 0.000 0.930 192 T HN 0.564 nan 8.240 nan 0.000 0.508 193 G N 0.039 108.883 108.800 0.073 0.000 2.321 193 G HA2 0.316 4.252 3.960 -0.042 0.000 0.339 193 G HA3 0.316 4.252 3.960 -0.042 0.000 0.339 193 G C -1.289 173.632 174.900 0.035 0.000 1.518 193 G CA -0.792 44.306 45.100 -0.003 0.000 0.994 193 G HN 0.242 nan 8.290 nan 0.000 0.668 194 V N 0.825 120.702 119.914 -0.060 0.000 2.614 194 V HA 0.609 4.704 4.120 -0.042 0.000 0.291 194 V C -0.145 175.885 176.094 -0.106 0.000 1.049 194 V CA 0.297 62.583 62.300 -0.025 0.000 1.038 194 V CB 0.747 32.534 31.823 -0.060 0.000 0.980 194 V HN 0.536 nan 8.190 nan 0.000 0.481 195 F N 4.190 124.103 119.950 -0.062 0.000 2.551 195 F HA 0.545 5.039 4.527 -0.054 0.000 0.316 195 F C -2.044 173.727 175.800 -0.048 0.000 1.089 195 F CA -2.377 55.591 58.000 -0.052 0.000 0.915 195 F CB 1.802 40.769 39.000 -0.054 0.000 1.186 195 F HN 0.338 nan 8.300 nan 0.000 0.456 196 P HA 0.096 nan 4.420 nan 0.000 0.265 196 P C -0.855 176.498 177.300 0.087 0.000 1.193 196 P CA -0.101 63.046 63.100 0.078 0.000 0.765 196 P CB 0.528 32.267 31.700 0.065 0.000 0.823 197 V N 6.876 126.820 119.914 0.050 0.000 2.408 197 V HA 0.162 4.257 4.120 -0.042 0.000 0.267 197 V C -1.840 174.304 176.094 0.083 0.000 1.047 197 V CA -1.538 60.789 62.300 0.046 0.000 0.937 197 V CB 0.523 32.351 31.823 0.009 0.000 0.999 197 V HN 0.579 nan 8.190 nan 0.000 0.472 198 P HA 0.006 nan 4.420 nan 0.000 0.260 198 P C 0.458 177.904 177.300 0.243 0.000 1.172 198 P CA 0.402 63.575 63.100 0.120 0.000 0.760 198 P CB 0.777 32.509 31.700 0.053 0.000 0.773 199 A N 3.730 126.661 122.820 0.185 0.000 1.984 199 A HA -0.020 4.275 4.320 -0.042 0.000 0.214 199 A C 0.786 178.553 177.584 0.305 0.000 1.173 199 A CA 0.499 52.664 52.037 0.213 0.000 0.673 199 A CB -0.442 18.626 19.000 0.114 0.000 0.830 199 A HN 0.560 nan 8.150 nan 0.000 0.453 200 E N 0.807 121.137 120.200 0.216 0.000 2.442 200 E HA 0.189 4.514 4.350 -0.042 0.000 0.262 200 E C -0.277 176.495 176.600 0.287 0.000 1.004 200 E CA 0.087 56.600 56.400 0.188 0.000 0.928 200 E CB 0.265 30.035 29.700 0.117 0.000 0.937 200 E HN 0.769 nan 8.360 nan 0.000 0.446 201 H N -0.693 118.537 119.070 0.267 0.000 2.505 201 H HA 0.467 4.996 4.556 -0.046 0.000 0.355 201 H C 0.433 175.867 175.328 0.177 0.000 1.179 201 H CA -0.935 55.240 56.048 0.212 0.000 1.343 201 H CB 1.168 31.069 29.762 0.230 0.000 1.501 201 H HN 0.489 nan 8.280 nan 0.000 0.569 202 G N 1.570 110.566 108.800 0.327 0.000 4.547 202 G HA2 0.053 3.988 3.960 -0.042 0.000 0.301 202 G HA3 0.053 3.988 3.960 -0.042 0.000 0.301 202 G C -0.658 174.216 174.900 -0.043 0.000 1.240 202 G CA -0.694 44.441 45.100 0.058 0.000 0.970 202 G HN 0.629 nan 8.290 nan 0.000 0.574 203 N N 1.752 120.563 118.700 0.184 0.000 2.555 203 N HA 0.101 4.816 4.740 -0.042 0.000 0.244 203 N C 0.883 176.294 175.510 -0.164 0.000 1.114 203 N CA -0.461 52.468 53.050 -0.203 0.000 0.963 203 N CB 0.536 38.871 38.487 -0.254 0.000 1.276 203 N HN 0.555 nan 8.380 nan 0.000 0.510 204 Y N -0.366 119.919 120.300 -0.026 0.000 2.716 204 Y HA -0.057 4.469 4.550 -0.040 0.000 0.302 204 Y C 1.670 177.562 175.900 -0.014 0.000 1.160 204 Y CA 0.412 58.484 58.100 -0.046 0.000 1.362 204 Y CB -0.825 37.568 38.460 -0.112 0.000 0.988 204 Y HN 0.270 nan 8.280 nan 0.000 0.546 205 T N -4.122 110.408 114.554 -0.040 0.000 3.054 205 T HA 0.063 4.388 4.350 -0.042 0.000 0.255 205 T C 0.085 174.789 174.700 0.006 0.000 1.035 205 T CA -0.152 61.959 62.100 0.019 0.000 0.941 205 T CB -0.117 68.750 68.868 -0.001 0.000 1.026 205 T HN 0.199 nan 8.240 nan 0.000 0.533 206 D N 2.724 123.126 120.400 0.003 0.000 2.325 206 D HA 0.254 4.869 4.640 -0.042 0.000 0.251 206 D C -1.703 174.635 176.300 0.064 0.000 1.196 206 D CA -2.506 51.508 54.000 0.023 0.000 0.866 206 D CB 1.791 42.601 40.800 0.016 0.000 1.101 206 D HN -0.029 nan 8.370 nan 0.000 0.476 207 P HA -0.179 nan 4.420 nan 0.000 0.217 207 P C 1.024 178.359 177.300 0.058 0.000 1.148 207 P CA 1.240 64.366 63.100 0.043 0.000 0.828 207 P CB 0.104 31.820 31.700 0.027 0.000 0.783 208 E N -0.964 119.284 120.200 0.080 0.000 2.204 208 E HA -0.166 4.159 4.350 -0.042 0.000 0.194 208 E C 1.741 178.401 176.600 0.101 0.000 0.989 208 E CA 0.838 57.294 56.400 0.094 0.000 0.824 208 E CB -0.808 28.967 29.700 0.125 0.000 0.756 208 E HN 0.161 nan 8.360 nan 0.000 0.477 209 L N 1.532 122.835 121.223 0.132 0.000 2.200 209 L HA 0.006 4.321 4.340 -0.042 0.000 0.200 209 L C 2.537 179.448 176.870 0.068 0.000 1.072 209 L CA 2.146 57.048 54.840 0.103 0.000 0.787 209 L CB -0.491 41.672 42.059 0.174 0.000 0.957 209 L HN 0.351 nan 8.230 nan 0.000 0.459 210 T N -2.322 112.274 114.554 0.070 0.000 2.777 210 T HA 0.325 4.650 4.350 -0.042 0.000 0.266 210 T C 1.210 175.933 174.700 0.038 0.000 1.040 210 T CA 0.737 62.868 62.100 0.051 0.000 1.141 210 T CB -0.903 67.996 68.868 0.052 0.000 0.868 210 T HN 0.822 nan 8.240 nan 0.000 0.444 211 G N 1.621 110.445 108.800 0.039 0.000 2.660 211 G HA2 0.029 3.964 3.960 -0.042 0.000 0.247 211 G HA3 0.029 3.964 3.960 -0.042 0.000 0.247 211 G C -2.975 171.940 174.900 0.025 0.000 1.328 211 G CA -0.728 44.389 45.100 0.030 0.000 0.884 211 G HN 0.555 nan 8.290 nan 0.000 0.531 212 P HA 0.421 nan 4.420 nan 0.000 0.271 212 P C 0.536 177.845 177.300 0.015 0.000 1.220 212 P CA -0.319 62.790 63.100 0.016 0.000 0.768 212 P CB 0.432 32.140 31.700 0.013 0.000 0.848 213 L N 3.583 124.815 121.223 0.015 0.000 2.467 213 L HA 0.164 4.479 4.340 -0.042 0.000 0.270 213 L C 1.298 178.174 176.870 0.010 0.000 1.205 213 L CA -0.224 54.624 54.840 0.013 0.000 0.828 213 L CB 0.122 42.189 42.059 0.014 0.000 1.101 213 L HN 0.345 nan 8.230 nan 0.000 0.479 214 R N 0.537 121.042 120.500 0.008 0.000 2.590 214 R HA 0.069 4.384 4.340 -0.042 0.000 0.274 214 R C 0.702 177.005 176.300 0.005 0.000 1.061 214 R CA 0.318 56.422 56.100 0.005 0.000 1.081 214 R CB 0.261 30.563 30.300 0.003 0.000 0.984 214 R HN 0.715 nan 8.270 nan 0.000 0.448 215 T N -3.726 110.831 114.554 0.004 0.000 3.084 215 T HA -0.010 4.315 4.350 -0.042 0.000 0.270 215 T C 1.285 175.986 174.700 0.003 0.000 1.008 215 T CA 0.023 62.126 62.100 0.004 0.000 0.900 215 T CB 0.320 69.191 68.868 0.004 0.000 1.084 215 T HN 0.678 nan 8.240 nan 0.000 0.538 216 T N -0.583 113.972 114.554 0.002 0.000 3.100 216 T HA 0.156 4.481 4.350 -0.042 0.000 0.253 216 T C 0.684 175.384 174.700 -0.000 0.000 1.118 216 T CA -0.157 61.944 62.100 0.001 0.000 1.058 216 T CB -0.316 68.552 68.868 -0.000 0.000 0.953 216 T HN 0.406 nan 8.240 nan 0.000 0.515 217 Q N 2.158 121.958 119.800 0.000 0.000 2.323 217 Q HA 0.283 4.598 4.340 -0.042 0.000 0.257 217 Q C -0.372 175.629 176.000 0.001 0.000 1.022 217 Q CA -0.343 55.460 55.803 0.000 0.000 0.919 217 Q CB 0.820 29.558 28.738 -0.000 0.000 1.220 217 Q HN 0.227 nan 8.270 nan 0.000 0.427 218 K N 2.813 123.214 120.400 0.001 0.000 2.118 218 K HA 0.430 4.725 4.320 -0.042 0.000 0.264 218 K C -2.147 174.455 176.600 0.003 0.000 1.000 218 K CA -1.917 54.371 56.287 0.002 0.000 0.929 218 K CB 0.046 32.546 32.500 0.001 0.000 1.021 218 K HN 0.384 nan 8.250 nan 0.000 0.463 219 P HA 0.252 nan 4.420 nan 0.000 0.271 219 P C -0.484 176.820 177.300 0.008 0.000 1.218 219 P CA -0.087 63.017 63.100 0.007 0.000 0.780 219 P CB 0.438 32.143 31.700 0.008 0.000 0.901 220 I N 1.046 121.622 120.570 0.010 0.000 2.411 220 I HA 0.191 4.336 4.170 -0.042 0.000 0.284 220 I C 0.013 176.141 176.117 0.018 0.000 1.012 220 I CA -0.488 60.820 61.300 0.013 0.000 1.119 220 I CB 1.616 39.623 38.000 0.013 0.000 1.261 220 I HN 0.235 nan 8.210 nan 0.000 0.448 221 S N 7.815 123.527 115.700 0.019 0.000 2.422 221 S HA 0.606 5.051 4.470 -0.042 0.000 0.298 221 S C -0.504 174.114 174.600 0.029 0.000 1.118 221 S CA -0.470 57.744 58.200 0.023 0.000 1.083 221 S CB 0.304 63.515 63.200 0.019 0.000 0.971 221 S HN 0.448 nan 8.310 nan 0.000 0.478 222 I N 5.577 126.168 120.570 0.036 0.000 2.354 222 I HA 0.341 4.486 4.170 -0.042 0.000 0.286 222 I C 0.289 176.436 176.117 0.049 0.000 1.007 222 I CA -0.436 60.894 61.300 0.048 0.000 1.167 222 I CB 1.591 39.629 38.000 0.063 0.000 1.320 222 I HN 0.663 nan 8.210 nan 0.000 0.458 223 T N 2.007 116.589 114.554 0.047 0.000 2.901 223 T HA 0.521 4.846 4.350 -0.042 0.000 0.293 223 T C -0.620 174.109 174.700 0.049 0.000 1.084 223 T CA -0.892 61.234 62.100 0.044 0.000 1.008 223 T CB 2.344 71.232 68.868 0.032 0.000 1.170 223 T HN 0.490 nan 8.240 nan 0.000 0.509 224 Q N 1.289 121.115 119.800 0.042 0.000 2.771 224 Q HA 0.251 4.566 4.340 -0.042 0.000 0.247 224 Q C -1.977 174.037 176.000 0.024 0.000 0.986 224 Q CA -1.949 53.878 55.803 0.040 0.000 0.713 224 Q CB 2.003 30.768 28.738 0.045 0.000 1.241 224 Q HN 0.575 nan 8.270 nan 0.000 0.488 225 P HA -0.196 nan 4.420 nan 0.000 0.220 225 P C 0.174 177.480 177.300 0.010 0.000 1.144 225 P CA 1.375 64.484 63.100 0.016 0.000 0.800 225 P CB 0.496 32.206 31.700 0.016 0.000 0.772 226 E N -0.782 119.423 120.200 0.008 0.000 2.538 226 E HA 0.368 4.693 4.350 -0.042 0.000 0.207 226 E C 0.790 177.382 176.600 -0.013 0.000 1.002 226 E CA 0.020 56.420 56.400 0.000 0.000 0.952 226 E CB 0.416 30.118 29.700 0.004 0.000 1.031 226 E HN 0.208 nan 8.360 nan 0.000 0.476 227 G N 2.996 111.786 108.800 -0.016 0.000 2.756 227 G HA2 -0.179 3.756 3.960 -0.042 0.000 0.678 227 G HA3 -0.179 3.756 3.960 -0.042 0.000 0.678 227 G C -2.784 172.075 174.900 -0.068 0.000 1.349 227 G CA -0.905 44.165 45.100 -0.050 0.000 0.847 227 G HN -0.029 nan 8.290 nan 0.000 0.548 228 P HA 0.356 nan 4.420 nan 0.000 0.274 228 P C 0.610 177.805 177.300 -0.175 0.000 1.246 228 P CA 0.074 63.044 63.100 -0.218 0.000 0.795 228 P CB 1.182 32.465 31.700 -0.695 0.000 1.006 229 S N -0.294 115.437 115.700 0.052 0.000 2.558 229 S HA 0.127 4.572 4.470 -0.042 0.000 0.217 229 S C 0.676 175.431 174.600 0.259 0.000 0.975 229 S CA 0.023 58.312 58.200 0.149 0.000 0.912 229 S CB -0.797 62.540 63.200 0.227 0.000 0.776 229 S HN 0.556 nan 8.310 nan 0.000 0.526 230 F N 1.984 122.134 119.950 0.334 0.000 2.440 230 F HA 0.765 5.267 4.527 -0.042 0.000 0.328 230 F C 0.121 176.016 175.800 0.158 0.000 1.070 230 F CA -1.112 57.070 58.000 0.304 0.000 1.011 230 F CB 0.405 39.564 39.000 0.264 0.000 1.226 230 F HN -0.122 nan 8.300 nan 0.000 0.491 231 T N -0.219 114.531 114.554 0.327 0.000 2.885 231 T HA 0.743 5.068 4.350 -0.042 0.000 0.285 231 T C -1.156 173.713 174.700 0.281 0.000 1.019 231 T CA -0.805 61.417 62.100 0.203 0.000 1.010 231 T CB 1.493 70.451 68.868 0.149 0.000 1.022 231 T HN 0.682 nan 8.240 nan 0.000 0.466 232 V N 3.360 123.408 119.914 0.223 0.000 2.409 232 V HA 0.708 4.803 4.120 -0.042 0.000 0.291 232 V C 0.394 176.586 176.094 0.163 0.000 1.020 232 V CA -0.653 61.770 62.300 0.205 0.000 0.848 232 V CB 1.175 33.119 31.823 0.202 0.000 0.990 232 V HN 1.289 nan 8.190 nan 0.000 0.430 233 T N 0.078 114.744 114.554 0.187 0.000 2.916 233 T HA 0.682 5.007 4.350 -0.042 0.000 0.292 233 T C 0.780 175.569 174.700 0.149 0.000 1.055 233 T CA -0.095 62.095 62.100 0.150 0.000 1.009 233 T CB 1.763 70.713 68.868 0.137 0.000 1.118 233 T HN 1.745 nan 8.240 nan 0.000 0.497 234 G N -0.095 108.764 108.800 0.098 0.000 2.283 234 G HA2 0.110 4.045 3.960 -0.042 0.000 0.280 234 G HA3 0.110 4.045 3.960 -0.042 0.000 0.280 234 G C 1.349 176.307 174.900 0.098 0.000 1.029 234 G CA 0.983 46.135 45.100 0.087 0.000 0.840 234 G HN 2.381 nan 8.290 nan 0.000 0.505 235 G N -0.013 108.843 108.800 0.094 0.000 2.779 235 G HA2 -0.327 3.608 3.960 -0.042 0.000 0.230 235 G HA3 -0.327 3.608 3.960 -0.042 0.000 0.230 235 G C 0.978 175.935 174.900 0.094 0.000 1.243 235 G CA 1.307 46.458 45.100 0.085 0.000 0.769 235 G HN 2.194 nan 8.290 nan 0.000 0.516 236 N N 0.082 118.849 118.700 0.112 0.000 2.232 236 N HA 0.204 4.919 4.740 -0.042 0.000 0.240 236 N C -0.229 175.345 175.510 0.107 0.000 1.307 236 N CA 0.339 53.447 53.050 0.098 0.000 0.859 236 N CB -0.184 38.358 38.487 0.091 0.000 1.260 236 N HN 0.623 nan 8.380 nan 0.000 0.501 237 H N 1.136 120.247 119.070 0.069 0.000 2.552 237 H HA 0.456 4.987 4.556 -0.042 0.000 0.311 237 H C -0.527 174.851 175.328 0.084 0.000 1.071 237 H CA -0.392 55.695 56.048 0.066 0.000 1.307 237 H CB 0.588 30.390 29.762 0.066 0.000 1.416 237 H HN -0.025 nan 8.280 nan 0.000 0.464 238 I N 4.757 125.074 120.570 -0.422 0.000 2.412 238 I HA 0.263 4.408 4.170 -0.042 0.000 0.296 238 I C -0.178 175.841 176.117 -0.163 0.000 0.987 238 I CA -0.760 60.438 61.300 -0.170 0.000 1.180 238 I CB 1.553 39.465 38.000 -0.148 0.000 1.340 238 I HN 0.670 nan 8.210 nan 0.000 0.455 239 E N 5.348 125.619 120.200 0.119 0.000 2.216 239 E HA 0.305 4.630 4.350 -0.042 0.000 0.260 239 E C -1.712 175.096 176.600 0.347 0.000 0.880 239 E CA -0.406 56.113 56.400 0.199 0.000 0.765 239 E CB 2.747 32.573 29.700 0.209 0.000 1.174 239 E HN 0.624 nan 8.360 nan 0.000 0.417 240 W N 3.692 125.075 121.300 0.139 0.000 3.326 240 W HA 0.149 4.784 4.660 -0.041 0.000 0.333 240 W C -0.436 176.195 176.519 0.187 0.000 1.108 240 W CA -0.429 57.024 57.345 0.179 0.000 1.245 240 W CB 0.935 30.501 29.460 0.176 0.000 1.331 240 W HN 0.305 nan 8.180 nan 0.000 0.464 241 E N 6.135 126.016 120.200 -0.531 0.000 2.149 241 E HA -0.304 4.021 4.350 -0.042 0.000 0.191 241 E C 0.529 176.831 176.600 -0.496 0.000 1.384 241 E CA 1.756 57.764 56.400 -0.654 0.000 0.698 241 E CB -0.780 28.142 29.700 -1.297 0.000 1.086 241 E HN 0.741 nan 8.360 nan 0.000 0.338 242 K N -4.461 115.664 120.400 -0.457 0.000 3.578 242 K HA -0.238 4.057 4.320 -0.042 0.000 0.270 242 K C 0.332 176.485 176.600 -0.745 0.000 1.003 242 K CA 1.833 57.656 56.287 -0.773 0.000 1.128 242 K CB -1.810 29.763 32.500 -1.545 0.000 1.341 242 K HN 0.336 nan 8.250 nan 0.000 0.499 243 W N 1.792 122.890 121.300 -0.336 0.000 2.184 243 W HA 0.424 5.059 4.660 -0.041 0.000 0.338 243 W C 0.924 177.439 176.519 -0.007 0.000 1.257 243 W CA 0.139 57.452 57.345 -0.054 0.000 1.243 243 W CB 1.020 30.601 29.460 0.201 0.000 1.122 243 W HN 0.059 nan 8.180 nan 0.000 0.585 244 S N 3.903 119.785 115.700 0.303 0.000 2.572 244 S HA 0.799 5.245 4.470 -0.042 0.000 0.274 244 S C -1.161 173.470 174.600 0.051 0.000 1.150 244 S CA -0.770 57.507 58.200 0.128 0.000 0.944 244 S CB 0.097 63.398 63.200 0.167 0.000 1.071 244 S HN 0.576 nan 8.310 nan 0.000 0.479 245 L N 1.081 122.192 121.223 -0.186 0.000 2.940 245 L HA 0.768 5.083 4.340 -0.042 0.000 0.270 245 L C -2.097 174.609 176.870 -0.273 0.000 1.030 245 L CA -1.051 53.686 54.840 -0.171 0.000 0.928 245 L CB 1.721 43.697 42.059 -0.138 0.000 1.506 245 L HN 0.402 nan 8.230 nan 0.000 0.405 246 D N 1.464 121.790 120.400 -0.122 0.000 2.502 246 D HA 0.443 5.058 4.640 -0.042 0.000 0.249 246 D C -0.759 175.550 176.300 0.015 0.000 1.092 246 D CA -0.263 53.731 54.000 -0.010 0.000 0.839 246 D CB 3.166 44.012 40.800 0.077 0.000 1.264 246 D HN 0.373 nan 8.370 nan 0.000 0.511 247 V N 2.317 122.235 119.914 0.007 0.000 2.339 247 V HA 0.429 4.524 4.120 -0.042 0.000 0.261 247 V C 1.046 177.199 176.094 0.098 0.000 1.058 247 V CA -0.365 61.935 62.300 -0.001 0.000 0.897 247 V CB 0.868 32.671 31.823 -0.033 0.000 1.052 247 V HN 0.577 nan 8.190 nan 0.000 0.480 248 G N 3.134 112.027 108.800 0.155 0.000 2.511 248 G HA2 0.679 4.614 3.960 -0.042 0.000 0.316 248 G HA3 0.679 4.614 3.960 -0.042 0.000 0.316 248 G C -1.452 173.549 174.900 0.168 0.000 1.210 248 G CA -0.442 44.788 45.100 0.216 0.000 0.969 248 G HN 0.482 nan 8.290 nan 0.000 0.492 249 F N -0.101 119.832 119.950 -0.029 0.000 2.588 249 F HA 0.493 4.995 4.527 -0.042 0.000 0.314 249 F C -1.380 174.367 175.800 -0.088 0.000 1.134 249 F CA -0.926 57.008 58.000 -0.110 0.000 0.961 249 F CB 2.540 41.459 39.000 -0.135 0.000 1.239 249 F HN 0.525 nan 8.300 nan 0.000 0.448 250 D N 3.696 123.719 120.400 -0.630 0.000 2.619 250 D HA 0.322 4.937 4.640 -0.042 0.000 0.241 250 D C 0.189 176.133 176.300 -0.593 0.000 1.087 250 D CA -0.555 53.215 54.000 -0.384 0.000 0.851 250 D CB 2.470 43.170 40.800 -0.166 0.000 1.474 250 D HN 0.365 nan 8.370 nan 0.000 0.478 251 V N 4.017 123.759 119.914 -0.286 0.000 2.594 251 V HA -0.129 3.966 4.120 -0.042 0.000 0.253 251 V C 2.062 178.067 176.094 -0.148 0.000 1.069 251 V CA 2.100 64.272 62.300 -0.213 0.000 1.082 251 V CB -0.387 31.344 31.823 -0.153 0.000 0.680 251 V HN 0.609 nan 8.190 nan 0.000 0.469 252 R N -0.522 119.955 120.500 -0.038 0.000 2.064 252 R HA -0.026 4.289 4.340 -0.042 0.000 0.221 252 R C 2.204 178.451 176.300 -0.090 0.000 1.136 252 R CA 1.489 57.565 56.100 -0.040 0.000 0.980 252 R CB -0.177 30.071 30.300 -0.087 0.000 0.876 252 R HN 0.553 nan 8.270 nan 0.000 0.437 253 E N -0.509 119.626 120.200 -0.107 0.000 2.230 253 E HA 0.126 4.451 4.350 -0.042 0.000 0.192 253 E C 0.723 177.201 176.600 -0.203 0.000 0.987 253 E CA 0.436 56.795 56.400 -0.068 0.000 0.841 253 E CB 0.479 30.180 29.700 0.000 0.000 0.783 253 E HN 0.568 nan 8.360 nan 0.000 0.481 254 G N 0.665 109.100 108.800 -0.608 0.000 2.488 254 G HA2 -0.288 3.647 3.960 -0.042 0.000 0.237 254 G HA3 -0.288 3.647 3.960 -0.042 0.000 0.237 254 G C -0.177 174.130 174.900 -0.989 0.000 1.209 254 G CA -0.362 44.032 45.100 -1.176 0.000 0.929 254 G HN 0.100 nan 8.290 nan 0.000 0.578 255 V N 0.772 120.289 119.914 -0.663 0.000 2.529 255 V HA 0.421 4.516 4.120 -0.042 0.000 0.292 255 V C 0.776 176.821 176.094 -0.082 0.000 1.028 255 V CA 0.163 62.396 62.300 -0.111 0.000 1.074 255 V CB 0.942 32.882 31.823 0.194 0.000 0.958 255 V HN 0.863 nan 8.190 nan 0.000 0.481 256 V N 6.817 126.621 119.914 -0.183 0.000 2.604 256 V HA 0.474 4.569 4.120 -0.042 0.000 0.305 256 V C -0.193 175.600 176.094 -0.502 0.000 1.043 256 V CA -0.644 61.449 62.300 -0.346 0.000 0.888 256 V CB 1.971 33.610 31.823 -0.307 0.000 0.995 256 V HN 0.610 nan 8.190 nan 0.000 0.429 257 L N 5.066 125.866 121.223 -0.706 0.000 2.282 257 L HA 0.616 4.931 4.340 -0.042 0.000 0.288 257 L C -0.441 176.046 176.870 -0.639 0.000 1.033 257 L CA -0.552 53.910 54.840 -0.631 0.000 0.807 257 L CB 1.010 42.621 42.059 -0.747 0.000 1.209 257 L HN 0.611 nan 8.230 nan 0.000 0.423 258 H N 3.675 122.586 119.070 -0.265 0.000 2.569 258 H HA 0.279 4.810 4.556 -0.042 0.000 0.357 258 H C -0.179 174.947 175.328 -0.336 0.000 1.153 258 H CA -0.714 55.152 56.048 -0.303 0.000 1.193 258 H CB 1.904 31.447 29.762 -0.366 0.000 1.602 258 H HN 0.562 nan 8.280 nan 0.000 0.523 259 N N 1.468 120.037 118.700 -0.220 0.000 2.705 259 N HA -0.202 4.513 4.740 -0.042 0.000 0.255 259 N C -0.346 175.106 175.510 -0.097 0.000 1.008 259 N CA 0.484 53.417 53.050 -0.196 0.000 0.742 259 N CB -1.227 37.093 38.487 -0.278 0.000 0.906 259 N HN 0.542 nan 8.380 nan 0.000 0.541 260 I N 0.598 121.116 120.570 -0.086 0.000 2.505 260 I HA 0.252 4.397 4.170 -0.042 0.000 0.287 260 I C 1.005 177.183 176.117 0.102 0.000 1.104 260 I CA 0.178 61.494 61.300 0.027 0.000 1.387 260 I CB 0.564 38.558 38.000 -0.011 0.000 1.404 260 I HN 0.327 nan 8.210 nan 0.000 0.528 261 A N 6.892 129.837 122.820 0.208 0.000 2.527 261 A HA 0.808 5.103 4.320 -0.042 0.000 0.293 261 A C -1.582 176.144 177.584 0.236 0.000 1.117 261 A CA -0.447 51.695 52.037 0.175 0.000 0.723 261 A CB 1.593 20.653 19.000 0.100 0.000 1.313 261 A HN 0.518 nan 8.150 nan 0.000 0.411 262 F N 0.504 120.444 119.950 -0.016 0.000 2.539 262 F HA 0.531 5.033 4.527 -0.042 0.000 0.318 262 F C 0.257 176.068 175.800 0.017 0.000 1.135 262 F CA -0.412 57.514 58.000 -0.123 0.000 0.915 262 F CB 1.879 40.743 39.000 -0.225 0.000 1.176 262 F HN 0.588 nan 8.300 nan 0.000 0.440 263 R N 3.592 124.016 120.500 -0.127 0.000 2.325 263 R HA 0.098 4.413 4.340 -0.042 0.000 0.323 263 R C -0.943 175.436 176.300 0.132 0.000 1.177 263 R CA -0.255 55.842 56.100 -0.005 0.000 1.018 263 R CB -0.090 30.155 30.300 -0.092 0.000 1.070 263 R HN 0.438 nan 8.270 nan 0.000 0.495 264 D N 2.785 123.362 120.400 0.295 0.000 2.468 264 D HA 0.167 4.782 4.640 -0.042 0.000 0.218 264 D C 1.223 177.619 176.300 0.160 0.000 1.155 264 D CA 0.723 54.930 54.000 0.345 0.000 0.924 264 D CB 0.489 41.502 40.800 0.354 0.000 1.029 264 D HN 0.667 nan 8.370 nan 0.000 0.515 265 G N 4.936 113.803 108.800 0.112 0.000 2.846 265 G HA2 -0.397 3.538 3.960 -0.042 0.000 0.317 265 G HA3 -0.397 3.538 3.960 -0.042 0.000 0.317 265 G C 0.878 175.801 174.900 0.037 0.000 1.210 265 G CA 0.664 45.799 45.100 0.058 0.000 0.972 265 G HN 0.585 nan 8.290 nan 0.000 0.567 266 D N 1.446 121.865 120.400 0.033 0.000 2.327 266 D HA 0.080 4.695 4.640 -0.042 0.000 0.205 266 D C 1.278 177.593 176.300 0.024 0.000 0.989 266 D CA 0.393 54.406 54.000 0.021 0.000 0.873 266 D CB 0.195 41.003 40.800 0.013 0.000 0.955 266 D HN 0.594 nan 8.370 nan 0.000 0.515 267 R N 0.327 120.847 120.500 0.034 0.000 2.474 267 R HA 0.454 4.769 4.340 -0.042 0.000 0.295 267 R C -0.788 175.546 176.300 0.058 0.000 0.980 267 R CA -0.952 55.168 56.100 0.034 0.000 0.934 267 R CB 1.897 32.207 30.300 0.016 0.000 1.101 267 R HN 0.001 nan 8.270 nan 0.000 0.469 268 L N 3.753 125.006 121.223 0.049 0.000 2.259 268 L HA 0.290 4.605 4.340 -0.042 0.000 0.288 268 L C -0.532 176.382 176.870 0.073 0.000 1.051 268 L CA -0.042 54.837 54.840 0.065 0.000 0.824 268 L CB 0.424 42.512 42.059 0.048 0.000 1.206 268 L HN 0.448 nan 8.230 nan 0.000 0.429 269 R N 6.998 127.576 120.500 0.130 0.000 2.229 269 R HA 0.441 4.756 4.340 -0.042 0.000 0.328 269 R C -2.321 174.070 176.300 0.152 0.000 1.009 269 R CA -1.747 54.439 56.100 0.144 0.000 0.864 269 R CB 0.657 31.079 30.300 0.205 0.000 1.085 269 R HN 0.490 nan 8.270 nan 0.000 0.453 270 P HA 0.095 nan 4.420 nan 0.000 0.275 270 P C -0.123 177.147 177.300 -0.050 0.000 1.228 270 P CA 0.044 63.125 63.100 -0.031 0.000 0.786 270 P CB 1.244 32.853 31.700 -0.151 0.000 0.927 271 I N 0.953 121.434 120.570 -0.148 0.000 3.746 271 I HA 0.244 4.389 4.170 -0.042 0.000 0.262 271 I C 0.707 176.662 176.117 -0.270 0.000 1.153 271 I CA 0.238 61.344 61.300 -0.323 0.000 1.395 271 I CB 0.358 38.035 38.000 -0.539 0.000 1.589 271 I HN 0.133 nan 8.210 nan 0.000 0.441 272 I N 1.432 121.883 120.570 -0.199 0.000 2.478 272 I HA 0.172 4.317 4.170 -0.042 0.000 0.287 272 I C 0.656 176.679 176.117 -0.157 0.000 1.042 272 I CA -0.225 60.973 61.300 -0.170 0.000 1.067 272 I CB 2.022 39.932 38.000 -0.149 0.000 1.233 272 I HN 0.125 nan 8.210 nan 0.000 0.431 273 N N 5.329 123.949 118.700 -0.133 0.000 2.171 273 N HA 0.005 4.720 4.740 -0.042 0.000 0.184 273 N C 0.548 176.004 175.510 -0.090 0.000 1.021 273 N CA 1.036 54.038 53.050 -0.079 0.000 0.854 273 N CB 0.512 39.052 38.487 0.088 0.000 0.994 273 N HN 0.533 nan 8.380 nan 0.000 0.426 274 R N -0.178 120.244 120.500 -0.129 0.000 2.515 274 R HA 0.471 4.786 4.340 -0.042 0.000 0.278 274 R C -2.066 174.069 176.300 -0.275 0.000 1.107 274 R CA -0.496 55.471 56.100 -0.222 0.000 0.945 274 R CB 1.853 32.076 30.300 -0.128 0.000 1.219 274 R HN 0.051 nan 8.270 nan 0.000 0.434 275 A N 2.298 124.874 122.820 -0.406 0.000 2.356 275 A HA 0.736 5.031 4.320 -0.042 0.000 0.310 275 A C -1.015 176.303 177.584 -0.443 0.000 1.075 275 A CA -0.445 51.348 52.037 -0.406 0.000 0.746 275 A CB 1.545 20.185 19.000 -0.600 0.000 1.221 275 A HN 0.807 nan 8.150 nan 0.000 0.443 276 S N 1.299 116.925 115.700 -0.124 0.000 2.588 276 S HA 0.674 5.119 4.470 -0.042 0.000 0.269 276 S C -1.158 173.568 174.600 0.210 0.000 1.157 276 S CA -0.710 57.517 58.200 0.044 0.000 0.824 276 S CB 0.933 64.100 63.200 -0.056 0.000 1.126 276 S HN 0.547 nan 8.310 nan 0.000 0.464 277 I N 2.238 122.968 120.570 0.268 0.000 2.287 277 I HA 0.401 4.546 4.170 -0.042 0.000 0.290 277 I C 1.312 177.545 176.117 0.193 0.000 1.069 277 I CA -0.533 60.899 61.300 0.219 0.000 1.237 277 I CB 0.239 38.435 38.000 0.327 0.000 1.418 277 I HN 0.988 nan 8.210 nan 0.000 0.481 278 A N 5.054 127.953 122.820 0.133 0.000 2.167 278 A HA 0.088 4.383 4.320 -0.042 0.000 0.214 278 A C 0.756 178.400 177.584 0.099 0.000 1.151 278 A CA 0.924 53.063 52.037 0.170 0.000 0.735 278 A CB 0.066 19.190 19.000 0.207 0.000 0.802 278 A HN 0.651 nan 8.150 nan 0.000 0.467 279 E N -1.910 118.281 120.200 -0.016 0.000 2.396 279 E HA 0.593 4.918 4.350 -0.042 0.000 0.280 279 E C -1.464 175.083 176.600 -0.088 0.000 1.065 279 E CA -0.328 56.006 56.400 -0.110 0.000 0.831 279 E CB 0.887 30.338 29.700 -0.415 0.000 1.272 279 E HN 0.079 nan 8.360 nan 0.000 0.443 280 M N 3.363 122.926 119.600 -0.063 0.000 2.234 280 M HA 0.385 4.840 4.480 -0.042 0.000 0.267 280 M C -1.893 174.287 176.300 -0.200 0.000 1.022 280 M CA -0.752 54.390 55.300 -0.264 0.000 0.993 280 M CB 1.704 34.147 32.600 -0.262 0.000 1.836 280 M HN 0.442 nan 8.290 nan 0.000 0.479 281 V N 5.260 124.995 119.914 -0.298 0.000 2.680 281 V HA 0.714 4.809 4.120 -0.042 0.000 0.309 281 V C -1.213 174.620 176.094 -0.434 0.000 1.052 281 V CA -0.320 61.707 62.300 -0.456 0.000 0.908 281 V CB 2.391 33.773 31.823 -0.735 0.000 1.001 281 V HN 0.587 nan 8.190 nan 0.000 0.431 282 V N 8.258 127.937 119.914 -0.392 0.000 2.266 282 V HA 0.398 4.493 4.120 -0.042 0.000 0.266 282 V C -2.402 173.421 176.094 -0.452 0.000 1.036 282 V CA -1.326 60.722 62.300 -0.419 0.000 0.828 282 V CB 1.203 32.868 31.823 -0.263 0.000 1.081 282 V HN 0.806 nan 8.190 nan 0.000 0.449 283 P HA 0.320 nan 4.420 nan 0.000 0.285 283 P C -1.284 175.782 177.300 -0.391 0.000 1.259 283 P CA -0.240 62.653 63.100 -0.345 0.000 0.794 283 P CB 1.074 32.599 31.700 -0.291 0.000 0.940 284 Y N 0.528 120.665 120.300 -0.272 0.000 2.361 284 Y HA 0.479 5.005 4.550 -0.039 0.000 0.332 284 Y C 1.700 177.531 175.900 -0.115 0.000 1.101 284 Y CA 0.141 58.133 58.100 -0.181 0.000 1.137 284 Y CB 1.556 39.840 38.460 -0.294 0.000 1.207 284 Y HN 0.471 nan 8.280 nan 0.000 0.463 285 G N 1.101 109.955 108.800 0.089 0.000 3.707 285 G HA2 0.009 3.944 3.960 -0.042 0.000 0.286 285 G HA3 0.009 3.944 3.960 -0.042 0.000 0.286 285 G C -0.716 174.230 174.900 0.076 0.000 1.112 285 G CA -0.171 44.980 45.100 0.085 0.000 0.861 285 G HN 0.502 nan 8.290 nan 0.000 0.534 286 D N 1.230 121.655 120.400 0.042 0.000 2.317 286 D HA 0.253 4.868 4.640 -0.042 0.000 0.234 286 D C -1.201 175.073 176.300 -0.045 0.000 1.112 286 D CA -2.383 51.605 54.000 -0.020 0.000 0.840 286 D CB 2.282 43.064 40.800 -0.031 0.000 1.078 286 D HN 0.044 nan 8.370 nan 0.000 0.486 287 P HA -0.019 nan 4.420 nan 0.000 0.245 287 P C 0.307 177.594 177.300 -0.022 0.000 1.212 287 P CA -0.065 63.022 63.100 -0.023 0.000 0.774 287 P CB 0.143 31.841 31.700 -0.002 0.000 0.999 288 S N 2.532 118.211 115.700 -0.034 0.000 2.537 288 S HA 0.113 4.558 4.470 -0.042 0.000 0.286 288 S C -0.987 173.617 174.600 0.007 0.000 1.299 288 S CA -1.122 57.070 58.200 -0.012 0.000 1.067 288 S CB 0.228 63.403 63.200 -0.042 0.000 0.864 288 S HN 0.024 nan 8.310 nan 0.000 0.494 289 P HA -0.081 nan 4.420 nan 0.000 0.228 289 P C 1.270 178.727 177.300 0.262 0.000 1.151 289 P CA 0.582 63.769 63.100 0.145 0.000 0.770 289 P CB -0.051 31.736 31.700 0.145 0.000 0.786 290 I N -0.272 120.407 120.570 0.182 0.000 2.546 290 I HA -0.063 4.082 4.170 -0.042 0.000 0.255 290 I C 2.065 178.363 176.117 0.303 0.000 1.163 290 I CA 1.205 62.662 61.300 0.261 0.000 1.457 290 I CB -0.939 37.114 38.000 0.087 0.000 1.092 290 I HN 0.036 nan 8.210 nan 0.000 0.434 291 R N -0.538 119.922 120.500 -0.067 0.000 2.541 291 R HA 0.103 4.418 4.340 -0.042 0.000 0.332 291 R C 1.862 177.706 176.300 -0.760 0.000 0.951 291 R CA 0.429 56.200 56.100 -0.549 0.000 1.136 291 R CB 0.341 30.429 30.300 -0.353 0.000 1.449 291 R HN 0.255 nan 8.270 nan 0.000 0.531 292 S N 0.620 116.061 115.700 -0.431 0.000 2.547 292 S HA -0.091 4.354 4.470 -0.042 0.000 0.235 292 S C 1.373 175.713 174.600 -0.433 0.000 0.980 292 S CA 0.231 58.238 58.200 -0.322 0.000 0.941 292 S CB -0.344 62.774 63.200 -0.137 0.000 0.763 292 S HN 0.593 nan 8.310 nan 0.000 0.532 293 W N 0.644 121.720 121.300 -0.375 0.000 3.211 293 W HA 0.378 5.010 4.660 -0.046 0.000 0.292 293 W C 0.507 176.980 176.519 -0.076 0.000 1.268 293 W CA -0.622 56.339 57.345 -0.640 0.000 1.702 293 W CB -0.681 28.369 29.460 -0.684 0.000 1.092 293 W HN 0.280 nan 8.180 nan 0.000 0.643 294 Q N 3.010 122.187 119.800 -1.038 0.000 2.263 294 Q HA 0.066 4.381 4.340 -0.042 0.000 0.270 294 Q C -0.752 174.902 176.000 -0.577 0.000 1.104 294 Q CA 0.800 55.962 55.803 -1.067 0.000 0.909 294 Q CB 0.007 27.865 28.738 -1.468 0.000 1.214 294 Q HN 0.025 nan 8.270 nan 0.000 0.400 295 N N 4.837 123.234 118.700 -0.505 0.000 2.599 295 N HA 0.110 4.825 4.740 -0.042 0.000 0.283 295 N C -1.935 173.419 175.510 -0.261 0.000 1.160 295 N CA -0.417 52.426 53.050 -0.346 0.000 0.869 295 N CB 0.990 39.445 38.487 -0.052 0.000 1.448 295 N HN 0.404 nan 8.380 nan 0.000 0.535 296 Y N 1.145 121.469 120.300 0.040 0.000 2.367 296 Y HA 0.398 4.922 4.550 -0.043 0.000 0.342 296 Y C 0.200 176.151 175.900 0.085 0.000 0.979 296 Y CA -0.830 57.381 58.100 0.186 0.000 1.161 296 Y CB 0.225 38.754 38.460 0.115 0.000 1.155 296 Y HN 0.317 nan 8.280 nan 0.000 0.503 297 F N 3.583 123.751 119.950 0.362 0.000 2.567 297 F HA 0.181 4.683 4.527 -0.042 0.000 0.352 297 F C 1.052 177.042 175.800 0.317 0.000 1.229 297 F CA -0.499 57.635 58.000 0.223 0.000 1.228 297 F CB 0.074 39.155 39.000 0.136 0.000 1.568 297 F HN 0.517 nan 8.300 nan 0.000 0.634 298 D N 0.485 121.103 120.400 0.363 0.000 2.133 298 D HA -0.168 4.447 4.640 -0.042 0.000 0.195 298 D C 2.078 178.581 176.300 0.339 0.000 0.997 298 D CA 1.749 55.966 54.000 0.362 0.000 0.840 298 D CB -0.135 40.788 40.800 0.206 0.000 0.947 298 D HN 0.365 nan 8.370 nan 0.000 0.452 299 T N -0.377 114.309 114.554 0.220 0.000 2.814 299 T HA 0.022 4.347 4.350 -0.042 0.000 0.254 299 T C 2.007 176.754 174.700 0.079 0.000 1.037 299 T CA 1.288 63.473 62.100 0.142 0.000 1.143 299 T CB -0.572 68.351 68.868 0.093 0.000 0.866 299 T HN 0.243 nan 8.240 nan 0.000 0.431 300 G N 1.082 109.932 108.800 0.082 0.000 2.402 300 G HA2 -0.139 3.796 3.960 -0.042 0.000 0.216 300 G HA3 -0.139 3.796 3.960 -0.042 0.000 0.216 300 G C 1.466 176.344 174.900 -0.036 0.000 1.162 300 G CA 0.623 45.686 45.100 -0.062 0.000 0.777 300 G HN 0.491 nan 8.290 nan 0.000 0.539 301 E N -1.014 119.243 120.200 0.095 0.000 2.102 301 E HA 0.072 4.397 4.350 -0.042 0.000 0.190 301 E C 1.982 178.508 176.600 -0.123 0.000 0.971 301 E CA 0.459 56.833 56.400 -0.043 0.000 0.821 301 E CB 0.021 29.684 29.700 -0.061 0.000 0.777 301 E HN 0.577 nan 8.360 nan 0.000 0.460 302 Y N -0.000 120.451 120.300 0.252 0.000 2.509 302 Y HA 0.263 4.788 4.550 -0.042 0.000 0.270 302 Y C 0.086 176.198 175.900 0.353 0.000 1.103 302 Y CA 0.044 58.360 58.100 0.361 0.000 1.278 302 Y CB 0.490 39.187 38.460 0.395 0.000 1.087 302 Y HN -0.149 nan 8.280 nan 0.000 0.542 303 L N 0.859 122.278 121.223 0.328 0.000 2.805 303 L HA -0.192 4.123 4.340 -0.042 0.000 0.688 303 L C 1.078 178.060 176.870 0.187 0.000 1.050 303 L CA 0.019 54.958 54.840 0.165 0.000 1.362 303 L CB -1.579 40.523 42.059 0.071 0.000 1.968 303 L HN 0.187 nan 8.230 nan 0.000 0.923 304 V N -0.345 119.685 119.914 0.194 0.000 2.469 304 V HA -0.119 3.976 4.120 -0.042 0.000 0.251 304 V C 2.140 178.328 176.094 0.158 0.000 1.064 304 V CA 2.254 64.691 62.300 0.228 0.000 1.066 304 V CB -0.457 31.450 31.823 0.141 0.000 0.667 304 V HN 0.835 nan 8.190 nan 0.000 0.461 305 G N -0.397 108.369 108.800 -0.056 0.000 2.408 305 G HA2 -0.301 3.634 3.960 -0.042 0.000 0.217 305 G HA3 -0.301 3.634 3.960 -0.042 0.000 0.217 305 G C 1.552 176.496 174.900 0.073 0.000 1.150 305 G CA 0.875 45.870 45.100 -0.175 0.000 0.776 305 G HN 0.659 nan 8.290 nan 0.000 0.542 306 Q N -0.650 119.082 119.800 -0.113 0.000 2.152 306 Q HA -0.164 4.151 4.340 -0.042 0.000 0.206 306 Q C 1.171 176.978 176.000 -0.322 0.000 0.985 306 Q CA 1.290 56.910 55.803 -0.305 0.000 0.863 306 Q CB -0.208 28.155 28.738 -0.626 0.000 0.904 306 Q HN 0.591 nan 8.270 nan 0.000 0.422 307 Y N -0.208 120.222 120.300 0.217 0.000 2.571 307 Y HA 0.455 4.981 4.550 -0.040 0.000 0.275 307 Y C 0.326 176.377 175.900 0.253 0.000 1.179 307 Y CA -0.380 57.856 58.100 0.226 0.000 1.242 307 Y CB -0.232 38.373 38.460 0.242 0.000 1.126 307 Y HN 0.100 nan 8.280 nan 0.000 0.524 308 A N 0.897 123.940 122.820 0.372 0.000 2.511 308 A HA 0.108 4.403 4.320 -0.042 0.000 0.242 308 A C 0.332 178.092 177.584 0.294 0.000 1.069 308 A CA -0.303 51.983 52.037 0.416 0.000 0.763 308 A CB -0.237 19.026 19.000 0.438 0.000 1.001 308 A HN 0.610 nan 8.150 nan 0.000 0.498 309 N N 0.715 119.591 118.700 0.294 0.000 2.424 309 N HA 0.289 5.004 4.740 -0.042 0.000 0.257 309 N C -0.380 175.213 175.510 0.138 0.000 1.250 309 N CA -0.240 52.930 53.050 0.199 0.000 0.946 309 N CB 0.576 39.172 38.487 0.183 0.000 1.175 309 N HN 0.515 nan 8.380 nan 0.000 0.477 310 S N 1.216 116.960 115.700 0.074 0.000 2.399 310 S HA 0.229 4.674 4.470 -0.042 0.000 0.301 310 S C -0.061 174.542 174.600 0.005 0.000 1.093 310 S CA -0.626 57.580 58.200 0.010 0.000 1.077 310 S CB -0.163 63.024 63.200 -0.022 0.000 0.980 310 S HN 0.267 nan 8.310 nan 0.000 0.494 311 L N 3.852 125.089 121.223 0.023 0.000 2.361 311 L HA 0.293 4.608 4.340 -0.042 0.000 0.278 311 L C 0.517 177.385 176.870 -0.004 0.000 1.113 311 L CA -0.473 54.407 54.840 0.067 0.000 0.849 311 L CB 0.266 42.459 42.059 0.223 0.000 1.155 311 L HN 0.394 nan 8.230 nan 0.000 0.452 312 E N 3.017 123.226 120.200 0.015 0.000 2.283 312 E HA 0.229 4.554 4.350 -0.042 0.000 0.278 312 E C -0.426 176.226 176.600 0.087 0.000 1.027 312 E CA -0.927 55.477 56.400 0.006 0.000 0.843 312 E CB 1.871 31.567 29.700 -0.006 0.000 1.062 312 E HN 0.251 nan 8.360 nan 0.000 0.401 313 L N 1.894 123.183 121.223 0.110 0.000 2.455 313 L HA 0.258 4.573 4.340 -0.042 0.000 0.272 313 L C 1.334 178.251 176.870 0.078 0.000 1.174 313 L CA 1.698 56.634 54.840 0.160 0.000 0.869 313 L CB 0.154 42.321 42.059 0.180 0.000 1.130 313 L HN 0.787 nan 8.230 nan 0.000 0.474 314 G N 2.216 111.051 108.800 0.059 0.000 2.241 314 G HA2 -0.317 3.618 3.960 -0.042 0.000 0.244 314 G HA3 -0.317 3.618 3.960 -0.042 0.000 0.244 314 G C 0.802 175.716 174.900 0.024 0.000 0.998 314 G CA 0.374 45.494 45.100 0.034 0.000 0.621 314 G HN 0.770 nan 8.290 nan 0.000 0.519 315 C N -0.634 118.681 119.300 0.026 0.000 2.341 315 C HA 0.334 4.769 4.460 -0.042 0.000 0.372 315 C C 2.133 177.126 174.990 0.004 0.000 1.430 315 C CA 1.159 60.182 59.018 0.008 0.000 2.316 315 C CB -0.309 27.429 27.740 -0.002 0.000 2.416 315 C HN 0.496 nan 8.230 nan 0.000 0.583 316 D N -0.016 120.397 120.400 0.023 0.000 2.259 316 D HA 0.065 4.680 4.640 -0.042 0.000 0.216 316 D C 0.121 176.463 176.300 0.070 0.000 0.961 316 D CA 1.108 55.128 54.000 0.033 0.000 0.878 316 D CB 0.239 41.067 40.800 0.046 0.000 1.009 316 D HN 0.391 nan 8.370 nan 0.000 0.490 317 c N 1.899 120.529 118.600 0.049 0.000 2.344 317 c HA 0.492 5.037 4.570 -0.042 0.000 0.326 317 c C -0.306 173.724 174.090 -0.101 0.000 1.201 317 c CA -1.070 55.216 56.329 -0.072 0.000 1.410 317 c CB 0.769 43.195 42.510 -0.141 0.000 2.070 317 c HN 0.170 nan 8.230 nan 0.000 0.445 318 L N 4.035 125.193 121.223 -0.108 0.000 2.325 318 L HA 0.941 5.256 4.340 -0.042 0.000 0.279 318 L C 0.595 177.429 176.870 -0.059 0.000 1.054 318 L CA 1.875 56.687 54.840 -0.048 0.000 0.804 318 L CB 0.955 43.018 42.059 0.007 0.000 1.200 318 L HN 1.100 nan 8.230 nan 0.000 0.436 319 G N 3.278 112.072 108.800 -0.009 0.000 2.472 319 G HA2 -0.171 3.764 3.960 -0.042 0.000 0.205 319 G HA3 -0.171 3.764 3.960 -0.042 0.000 0.205 319 G C -0.935 173.976 174.900 0.018 0.000 1.270 319 G CA -0.221 44.896 45.100 0.029 0.000 0.974 319 G HN 0.728 nan 8.290 nan 0.000 0.542 320 D N 1.459 121.894 120.400 0.059 0.000 2.422 320 D HA 0.406 5.021 4.640 -0.042 0.000 0.227 320 D C 0.303 176.642 176.300 0.065 0.000 1.190 320 D CA -0.114 53.919 54.000 0.054 0.000 0.905 320 D CB 0.031 40.867 40.800 0.061 0.000 1.034 320 D HN 0.354 nan 8.370 nan 0.000 0.507 321 I N 2.455 123.004 120.570 -0.034 0.000 2.392 321 I HA 0.214 4.359 4.170 -0.042 0.000 0.295 321 I C 0.703 176.736 176.117 -0.140 0.000 0.985 321 I CA -0.519 60.681 61.300 -0.168 0.000 1.221 321 I CB 1.516 39.209 38.000 -0.513 0.000 1.366 321 I HN 0.082 nan 8.210 nan 0.000 0.467 322 T N 6.258 120.780 114.554 -0.054 0.000 2.770 322 T HA 0.511 4.836 4.350 -0.042 0.000 0.283 322 T C -0.577 174.076 174.700 -0.079 0.000 0.988 322 T CA -0.271 61.861 62.100 0.053 0.000 0.957 322 T CB 0.480 69.534 68.868 0.310 0.000 0.930 322 T HN 0.165 nan 8.240 nan 0.000 0.443 323 Y N 2.074 122.424 120.300 0.084 0.000 2.419 323 Y HA 0.631 5.156 4.550 -0.042 0.000 0.328 323 Y C 0.247 176.163 175.900 0.027 0.000 1.162 323 Y CA -1.202 56.925 58.100 0.046 0.000 1.174 323 Y CB 1.041 39.517 38.460 0.026 0.000 1.228 323 Y HN 0.358 nan 8.280 nan 0.000 0.473 324 L N 1.433 122.771 121.223 0.191 0.000 2.362 324 L HA 0.498 4.813 4.340 -0.042 0.000 0.271 324 L C -0.569 176.307 176.870 0.009 0.000 1.002 324 L CA -0.655 54.227 54.840 0.070 0.000 0.818 324 L CB 1.989 44.059 42.059 0.019 0.000 1.298 324 L HN 0.534 nan 8.230 nan 0.000 0.420 325 S N 3.479 119.156 115.700 -0.039 0.000 2.426 325 S HA 0.334 4.779 4.470 -0.042 0.000 0.236 325 S C -2.337 172.172 174.600 -0.151 0.000 1.368 325 S CA -1.056 57.084 58.200 -0.099 0.000 1.154 325 S CB 0.820 63.983 63.200 -0.062 0.000 1.037 325 S HN 0.371 nan 8.310 nan 0.000 0.481 326 P HA 0.163 nan 4.420 nan 0.000 0.269 326 P C -0.687 176.508 177.300 -0.175 0.000 1.209 326 P CA -0.247 62.665 63.100 -0.313 0.000 0.776 326 P CB 0.733 31.923 31.700 -0.851 0.000 0.876 327 V N 4.633 124.512 119.914 -0.059 0.000 2.435 327 V HA 0.392 4.487 4.120 -0.042 0.000 0.290 327 V C 0.775 176.885 176.094 0.026 0.000 1.030 327 V CA -0.455 61.835 62.300 -0.017 0.000 0.881 327 V CB 0.984 32.809 31.823 0.003 0.000 0.983 327 V HN 0.481 nan 8.190 nan 0.000 0.445 328 I N 1.406 121.984 120.570 0.013 0.000 3.264 328 I HA 0.805 4.950 4.170 -0.042 0.000 0.309 328 I C -0.158 175.947 176.117 -0.020 0.000 1.099 328 I CA -0.676 60.631 61.300 0.012 0.000 0.989 328 I CB 2.291 40.302 38.000 0.018 0.000 1.250 328 I HN 0.495 nan 8.210 nan 0.000 0.478 329 S N 0.912 116.582 115.700 -0.050 0.000 2.525 329 S HA 0.407 4.852 4.470 -0.042 0.000 0.290 329 S C -0.665 173.893 174.600 -0.071 0.000 1.152 329 S CA -0.607 57.558 58.200 -0.059 0.000 1.072 329 S CB 0.790 63.942 63.200 -0.080 0.000 1.027 329 S HN 0.798 nan 8.310 nan 0.000 0.500 330 D N 2.745 123.113 120.400 -0.053 0.000 2.478 330 D HA 0.414 5.029 4.640 -0.042 0.000 0.269 330 D C 1.245 177.449 176.300 -0.161 0.000 1.232 330 D CA -0.172 53.780 54.000 -0.080 0.000 1.059 330 D CB -0.009 40.780 40.800 -0.018 0.000 1.104 330 D HN 0.467 nan 8.370 nan 0.000 0.566 331 A N -1.141 121.491 122.820 -0.313 0.000 2.125 331 A HA -0.043 4.252 4.320 -0.042 0.000 0.219 331 A C 1.340 178.534 177.584 -0.649 0.000 1.156 331 A CA 0.815 52.541 52.037 -0.518 0.000 0.671 331 A CB -0.896 17.680 19.000 -0.707 0.000 0.794 331 A HN 0.451 nan 8.150 nan 0.000 0.459 332 F N -1.603 118.345 119.950 -0.003 0.000 2.678 332 F HA 0.408 4.910 4.527 -0.042 0.000 0.305 332 F C 1.728 177.518 175.800 -0.016 0.000 1.090 332 F CA -0.003 57.994 58.000 -0.004 0.000 1.272 332 F CB 0.117 39.114 39.000 -0.004 0.000 1.060 332 F HN 0.294 nan 8.300 nan 0.000 0.576 333 G N 0.571 109.406 108.800 0.058 0.000 2.175 333 G HA2 -0.293 3.642 3.960 -0.042 0.000 0.244 333 G HA3 -0.293 3.642 3.960 -0.042 0.000 0.244 333 G C -0.017 174.892 174.900 0.014 0.000 0.982 333 G CA -0.264 44.847 45.100 0.019 0.000 0.641 333 G HN 0.418 nan 8.290 nan 0.000 0.527 334 N N 2.381 121.111 118.700 0.049 0.000 2.529 334 N HA 0.516 5.231 4.740 -0.042 0.000 0.278 334 N C -2.273 173.239 175.510 0.004 0.000 1.146 334 N CA -1.125 51.944 53.050 0.030 0.000 0.980 334 N CB 1.534 40.058 38.487 0.061 0.000 1.124 334 N HN 0.144 nan 8.380 nan 0.000 0.458 335 P HA 0.099 nan 4.420 nan 0.000 0.276 335 P C -1.080 176.217 177.300 -0.005 0.000 1.230 335 P CA -0.039 63.053 63.100 -0.014 0.000 0.776 335 P CB 0.974 32.662 31.700 -0.019 0.000 0.888 336 R N 2.066 122.561 120.500 -0.008 0.000 2.532 336 R HA 0.255 4.570 4.340 -0.042 0.000 0.297 336 R C -0.502 175.789 176.300 -0.016 0.000 0.984 336 R CA -0.597 55.499 56.100 -0.006 0.000 0.884 336 R CB 1.543 31.841 30.300 -0.004 0.000 1.182 336 R HN 0.494 nan 8.270 nan 0.000 0.442 337 E N 5.522 125.710 120.200 -0.020 0.000 2.249 337 E HA 0.173 4.498 4.350 -0.042 0.000 0.280 337 E C -0.636 175.935 176.600 -0.050 0.000 1.016 337 E CA -0.492 55.884 56.400 -0.040 0.000 0.830 337 E CB 0.960 30.640 29.700 -0.034 0.000 1.081 337 E HN 0.570 nan 8.360 nan 0.000 0.395 338 I N 5.711 126.227 120.570 -0.090 0.000 2.317 338 I HA 0.187 4.332 4.170 -0.042 0.000 0.286 338 I C 0.691 176.744 176.117 -0.105 0.000 1.119 338 I CA -0.442 60.803 61.300 -0.092 0.000 1.228 338 I CB 0.233 38.143 38.000 -0.150 0.000 1.476 338 I HN 0.385 nan 8.210 nan 0.000 0.514 339 R N 6.041 126.495 120.500 -0.078 0.000 2.504 339 R HA -0.066 4.249 4.340 -0.042 0.000 0.291 339 R C 0.321 176.540 176.300 -0.135 0.000 0.974 339 R CA 0.674 56.716 56.100 -0.097 0.000 1.077 339 R CB -0.079 30.171 30.300 -0.084 0.000 0.926 339 R HN 0.702 nan 8.270 nan 0.000 0.407 340 N N 2.139 120.733 118.700 -0.178 0.000 2.727 340 N HA -0.208 4.507 4.740 -0.042 0.000 0.249 340 N C 0.640 176.120 175.510 -0.050 0.000 1.048 340 N CA 0.312 53.194 53.050 -0.280 0.000 0.714 340 N CB -0.580 37.466 38.487 -0.736 0.000 0.959 340 N HN 0.893 nan 8.380 nan 0.000 0.544 341 G N -0.593 108.187 108.800 -0.033 0.000 2.712 341 G HA2 0.213 4.148 3.960 -0.042 0.000 0.212 341 G HA3 0.213 4.148 3.960 -0.042 0.000 0.212 341 G C 0.407 175.360 174.900 0.088 0.000 1.142 341 G CA 0.395 45.489 45.100 -0.010 0.000 0.789 341 G HN 0.405 nan 8.290 nan 0.000 0.535 342 I N 0.209 120.854 120.570 0.125 0.000 2.499 342 I HA 0.291 4.436 4.170 -0.042 0.000 0.288 342 I C -0.838 175.403 176.117 0.206 0.000 1.048 342 I CA -0.918 60.480 61.300 0.164 0.000 1.062 342 I CB 2.512 40.545 38.000 0.055 0.000 1.238 342 I HN -0.214 nan 8.210 nan 0.000 0.426 343 c N 6.857 125.545 118.600 0.146 0.000 2.341 343 c HA 0.665 5.210 4.570 -0.042 0.000 0.338 343 c C 0.100 174.189 174.090 -0.001 0.000 1.257 343 c CA -0.469 55.848 56.329 -0.020 0.000 1.883 343 c CB 0.486 43.000 42.510 0.008 0.000 2.334 343 c HN 0.652 nan 8.230 nan 0.000 0.524 344 M N 4.347 123.901 119.600 -0.075 0.000 2.204 344 M HA 0.454 4.909 4.480 -0.042 0.000 0.293 344 M C -0.725 175.543 176.300 -0.053 0.000 0.994 344 M CA -0.104 55.101 55.300 -0.158 0.000 0.925 344 M CB 1.566 33.996 32.600 -0.282 0.000 1.577 344 M HN 1.067 nan 8.290 nan 0.000 0.439 345 H N 0.092 118.954 119.070 -0.346 0.000 2.950 345 H HA 0.589 5.120 4.556 -0.042 0.000 0.307 345 H C -1.934 173.276 175.328 -0.197 0.000 1.403 345 H CA -1.309 54.688 56.048 -0.084 0.000 1.145 345 H CB 1.249 31.014 29.762 0.005 0.000 1.844 345 H HN 0.598 nan 8.280 nan 0.000 0.515 346 E N 1.025 121.195 120.200 -0.049 0.000 2.183 346 E HA 0.413 4.738 4.350 -0.042 0.000 0.271 346 E C -1.094 175.484 176.600 -0.037 0.000 0.919 346 E CA -1.075 55.205 56.400 -0.201 0.000 0.781 346 E CB 2.590 32.342 29.700 0.087 0.000 1.140 346 E HN 0.753 nan 8.360 nan 0.000 0.402 347 E N 2.278 122.424 120.200 -0.090 0.000 2.288 347 E HA 0.269 4.594 4.350 -0.042 0.000 0.268 347 E C -1.223 175.482 176.600 0.175 0.000 0.885 347 E CA -1.062 55.381 56.400 0.071 0.000 0.767 347 E CB 1.620 31.360 29.700 0.067 0.000 1.220 347 E HN 0.544 nan 8.360 nan 0.000 0.427 348 D N 1.439 121.963 120.400 0.207 0.000 2.423 348 D HA -0.091 4.524 4.640 -0.042 0.000 0.238 348 D C -0.929 175.589 176.300 0.364 0.000 1.142 348 D CA 0.180 54.319 54.000 0.231 0.000 0.884 348 D CB 0.528 41.413 40.800 0.142 0.000 1.199 348 D HN 0.539 nan 8.370 nan 0.000 0.438 349 W N 5.603 126.943 121.300 0.067 0.000 1.340 349 W HA 0.363 4.998 4.660 -0.042 0.000 0.301 349 W C 0.329 176.879 176.519 0.051 0.000 0.834 349 W CA 0.056 57.439 57.345 0.064 0.000 2.473 349 W CB 0.123 29.669 29.460 0.143 0.000 1.837 349 W HN 0.856 nan 8.180 nan 0.000 0.528 350 G N 1.967 110.707 108.800 -0.100 0.000 2.564 350 G HA2 -0.336 3.599 3.960 -0.042 0.000 0.273 350 G HA3 -0.336 3.599 3.960 -0.042 0.000 0.273 350 G C -0.366 174.512 174.900 -0.036 0.000 1.242 350 G CA 0.044 45.061 45.100 -0.138 0.000 0.951 350 G HN 0.077 nan 8.290 nan 0.000 0.564 351 I N 1.517 122.053 120.570 -0.056 0.000 2.416 351 I HA 0.243 4.388 4.170 -0.042 0.000 0.288 351 I C 1.544 177.679 176.117 0.030 0.000 1.051 351 I CA -0.119 61.173 61.300 -0.013 0.000 1.375 351 I CB 0.825 38.808 38.000 -0.028 0.000 1.407 351 I HN 0.625 nan 8.210 nan 0.000 0.516 352 L N 6.745 128.003 121.223 0.058 0.000 2.200 352 L HA 0.454 4.769 4.340 -0.042 0.000 0.200 352 L C 0.646 177.563 176.870 0.079 0.000 1.072 352 L CA 1.085 55.980 54.840 0.091 0.000 0.787 352 L CB 0.110 42.233 42.059 0.106 0.000 0.957 352 L HN 0.696 nan 8.230 nan 0.000 0.459 353 A N -0.484 122.387 122.820 0.084 0.000 2.589 353 A HA 0.655 4.950 4.320 -0.042 0.000 0.296 353 A C -1.119 176.560 177.584 0.159 0.000 1.062 353 A CA -0.608 51.510 52.037 0.134 0.000 0.686 353 A CB 1.126 20.255 19.000 0.215 0.000 1.282 353 A HN 0.066 nan 8.150 nan 0.000 0.404 354 K N 0.993 121.500 120.400 0.178 0.000 2.557 354 K HA 0.581 4.876 4.320 -0.042 0.000 0.257 354 K C -2.221 174.524 176.600 0.241 0.000 0.933 354 K CA -0.521 55.880 56.287 0.191 0.000 0.820 354 K CB 1.770 34.319 32.500 0.082 0.000 1.330 354 K HN 1.062 nan 8.250 nan 0.000 0.432 355 H N 0.354 119.501 119.070 0.128 0.000 3.137 355 H HA 0.351 4.882 4.556 -0.042 0.000 0.336 355 H C -1.928 173.429 175.328 0.048 0.000 1.055 355 H CA -0.348 55.730 56.048 0.051 0.000 1.349 355 H CB 1.837 31.603 29.762 0.006 0.000 1.939 355 H HN 0.416 nan 8.280 nan 0.000 0.487 356 S N 4.166 119.574 115.700 -0.487 0.000 2.532 356 S HA 0.167 4.612 4.470 -0.042 0.000 0.318 356 S C -0.742 173.416 174.600 -0.737 0.000 1.083 356 S CA -0.641 57.311 58.200 -0.414 0.000 1.131 356 S CB 0.376 63.453 63.200 -0.205 0.000 0.973 356 S HN 0.656 nan 8.310 nan 0.000 0.468 357 D N 2.270 122.281 120.400 -0.648 0.000 2.274 357 D HA 0.294 4.909 4.640 -0.042 0.000 0.239 357 D C 1.005 177.180 176.300 -0.209 0.000 1.104 357 D CA -0.608 53.121 54.000 -0.452 0.000 0.840 357 D CB 0.830 41.542 40.800 -0.146 0.000 1.100 357 D HN 0.256 nan 8.370 nan 0.000 0.477 358 L N 5.596 126.675 121.223 -0.241 0.000 1.976 358 L HA -0.042 4.273 4.340 -0.042 0.000 0.209 358 L C 1.431 178.317 176.870 0.027 0.000 1.071 358 L CA 1.642 56.390 54.840 -0.153 0.000 0.746 358 L CB -0.558 41.345 42.059 -0.261 0.000 0.890 358 L HN 0.611 nan 8.230 nan 0.000 0.432 359 W N -0.008 121.294 121.300 0.003 0.000 2.338 359 W HA -0.140 4.495 4.660 -0.041 0.000 0.304 359 W C 2.995 179.516 176.519 0.002 0.000 1.212 359 W CA 1.665 59.014 57.345 0.007 0.000 1.264 359 W CB -1.829 27.641 29.460 0.016 0.000 1.142 359 W HN 0.564 nan 8.180 nan 0.000 0.512 360 S N -1.152 114.673 115.700 0.208 0.000 2.486 360 S HA 0.300 4.745 4.470 -0.042 0.000 0.220 360 S C 1.804 176.444 174.600 0.068 0.000 1.011 360 S CA 0.880 59.153 58.200 0.121 0.000 0.921 360 S CB -0.037 63.224 63.200 0.101 0.000 0.785 360 S HN 0.438 nan 8.310 nan 0.000 0.517 361 G N 1.195 110.020 108.800 0.042 0.000 2.184 361 G HA2 -0.246 3.689 3.960 -0.042 0.000 0.264 361 G HA3 -0.246 3.689 3.960 -0.042 0.000 0.264 361 G C 0.027 174.926 174.900 -0.001 0.000 0.975 361 G CA 0.353 45.461 45.100 0.014 0.000 0.642 361 G HN 0.608 nan 8.290 nan 0.000 0.536 362 I N 1.362 121.933 120.570 0.001 0.000 2.371 362 I HA 0.248 4.393 4.170 -0.042 0.000 0.290 362 I C -0.363 175.747 176.117 -0.012 0.000 1.028 362 I CA -0.649 60.659 61.300 0.014 0.000 1.345 362 I CB 0.854 38.876 38.000 0.036 0.000 1.407 362 I HN -0.039 nan 8.210 nan 0.000 0.501 363 N N 6.588 125.297 118.700 0.015 0.000 2.446 363 N HA 0.278 4.993 4.740 -0.042 0.000 0.265 363 N C -1.279 174.295 175.510 0.105 0.000 0.975 363 N CA -0.427 52.630 53.050 0.011 0.000 0.928 363 N CB 1.435 39.912 38.487 -0.017 0.000 1.160 363 N HN 0.439 nan 8.380 nan 0.000 0.495 364 Y N 1.245 121.528 120.300 -0.029 0.000 2.376 364 Y HA 0.523 5.048 4.550 -0.042 0.000 0.340 364 Y C -0.849 175.057 175.900 0.009 0.000 0.965 364 Y CA -0.306 57.795 58.100 0.003 0.000 1.078 364 Y CB 1.557 40.034 38.460 0.028 0.000 1.193 364 Y HN 0.303 nan 8.280 nan 0.000 0.452 365 T N 6.901 121.261 114.554 -0.323 0.000 2.971 365 T HA 0.558 4.883 4.350 -0.042 0.000 0.304 365 T C -1.281 173.180 174.700 -0.399 0.000 1.038 365 T CA -0.984 60.967 62.100 -0.248 0.000 1.007 365 T CB 1.095 69.897 68.868 -0.110 0.000 1.055 365 T HN 0.411 nan 8.240 nan 0.000 0.451 366 R N 1.944 122.278 120.500 -0.278 0.000 2.744 366 R HA 0.577 4.892 4.340 -0.042 0.000 0.279 366 R C -0.577 175.690 176.300 -0.056 0.000 0.977 366 R CA -1.003 54.980 56.100 -0.196 0.000 0.906 366 R CB 1.714 31.905 30.300 -0.181 0.000 1.197 366 R HN 0.453 nan 8.270 nan 0.000 0.463 367 R N 1.252 121.741 120.500 -0.018 0.000 2.457 367 R HA 0.355 4.670 4.340 -0.042 0.000 0.284 367 R C 0.143 176.504 176.300 0.102 0.000 1.024 367 R CA -0.560 55.563 56.100 0.037 0.000 1.025 367 R CB 1.098 31.425 30.300 0.044 0.000 1.063 367 R HN 0.645 nan 8.270 nan 0.000 0.493 368 N N 0.442 119.240 118.700 0.163 0.000 2.476 368 N HA 0.409 5.124 4.740 -0.042 0.000 0.276 368 N C -0.766 174.952 175.510 0.348 0.000 1.204 368 N CA -0.523 52.694 53.050 0.278 0.000 0.974 368 N CB 1.242 39.945 38.487 0.359 0.000 1.204 368 N HN 0.262 nan 8.380 nan 0.000 0.543 369 R N -0.095 120.665 120.500 0.433 0.000 2.710 369 R HA 0.409 4.724 4.340 -0.042 0.000 0.270 369 R C -1.427 175.127 176.300 0.423 0.000 1.021 369 R CA -0.826 55.539 56.100 0.442 0.000 0.889 369 R CB 2.124 32.737 30.300 0.521 0.000 1.243 369 R HN 0.684 nan 8.270 nan 0.000 0.464 370 R N 1.019 121.551 120.500 0.054 0.000 2.651 370 R HA 0.493 4.808 4.340 -0.042 0.000 0.278 370 R C -1.253 174.541 176.300 -0.843 0.000 1.010 370 R CA -1.014 54.802 56.100 -0.473 0.000 0.896 370 R CB 1.637 31.272 30.300 -1.108 0.000 1.211 370 R HN 0.381 nan 8.270 nan 0.000 0.456 371 M N 2.798 121.572 119.600 -1.377 0.000 2.216 371 M HA 0.319 4.774 4.480 -0.042 0.000 0.356 371 M C -1.432 174.378 176.300 -0.818 0.000 1.205 371 M CA -0.488 53.963 55.300 -1.414 0.000 1.122 371 M CB 1.590 33.218 32.600 -1.620 0.000 1.571 371 M HN 0.534 nan 8.290 nan 0.000 0.464 372 V N 6.633 126.126 119.914 -0.701 0.000 2.540 372 V HA 0.581 4.676 4.120 -0.042 0.000 0.302 372 V C -0.636 175.267 176.094 -0.318 0.000 1.035 372 V CA -0.740 61.312 62.300 -0.415 0.000 0.873 372 V CB 1.766 33.332 31.823 -0.429 0.000 0.992 372 V HN 0.652 nan 8.190 nan 0.000 0.428 373 I N 4.523 124.984 120.570 -0.181 0.000 2.439 373 I HA 0.631 4.777 4.170 -0.042 0.000 0.283 373 I C 0.041 176.189 176.117 0.051 0.000 1.023 373 I CA -0.008 61.249 61.300 -0.072 0.000 1.100 373 I CB 1.495 39.451 38.000 -0.073 0.000 1.238 373 I HN 0.817 nan 8.210 nan 0.000 0.445 374 S N 6.082 121.821 115.700 0.066 0.000 2.651 374 S HA 0.923 5.368 4.470 -0.042 0.000 0.279 374 S C -0.939 173.767 174.600 0.177 0.000 1.148 374 S CA -0.653 57.538 58.200 -0.016 0.000 0.837 374 S CB 3.050 65.999 63.200 -0.417 0.000 1.138 374 S HN 0.470 nan 8.310 nan 0.000 0.478 375 F N -1.258 118.635 119.950 -0.095 0.000 2.686 375 F HA 0.884 5.386 4.527 -0.042 0.000 0.311 375 F C -2.243 173.574 175.800 0.030 0.000 1.128 375 F CA -1.707 56.320 58.000 0.045 0.000 0.946 375 F CB 0.911 39.993 39.000 0.137 0.000 1.336 375 F HN 0.609 nan 8.300 nan 0.000 0.457 376 F N 1.051 120.965 119.950 -0.060 0.000 2.529 376 F HA 0.667 5.169 4.527 -0.042 0.000 0.320 376 F C -0.154 175.690 175.800 0.074 0.000 1.118 376 F CA -0.394 57.552 58.000 -0.091 0.000 0.915 376 F CB 2.232 41.247 39.000 0.024 0.000 1.161 376 F HN 0.868 nan 8.300 nan 0.000 0.445 377 T N 2.319 116.984 114.554 0.184 0.000 2.924 377 T HA 0.650 4.976 4.350 -0.042 0.000 0.291 377 T C -1.063 173.834 174.700 0.330 0.000 1.045 377 T CA -0.319 61.971 62.100 0.318 0.000 1.015 377 T CB 1.305 70.347 68.868 0.290 0.000 1.103 377 T HN 0.558 nan 8.240 nan 0.000 0.496 378 T N 4.578 119.311 114.554 0.299 0.000 2.847 378 T HA 0.522 4.847 4.350 -0.042 0.000 0.291 378 T C -0.644 174.112 174.700 0.093 0.000 0.998 378 T CA -0.566 61.635 62.100 0.168 0.000 0.967 378 T CB 0.452 69.396 68.868 0.127 0.000 0.954 378 T HN 0.424 nan 8.240 nan 0.000 0.441 379 I N 3.841 124.422 120.570 0.019 0.000 2.555 379 I HA 0.389 4.534 4.170 -0.042 0.000 0.275 379 I C 1.289 177.261 176.117 -0.241 0.000 1.082 379 I CA 0.019 61.252 61.300 -0.112 0.000 1.167 379 I CB -0.274 37.748 38.000 0.037 0.000 1.312 379 I HN 0.958 nan 8.210 nan 0.000 0.493 380 G N 6.683 115.317 108.800 -0.276 0.000 2.601 380 G HA2 -0.306 3.630 3.960 -0.042 0.000 0.306 380 G HA3 -0.306 3.630 3.960 -0.042 0.000 0.306 380 G C 0.398 175.181 174.900 -0.195 0.000 1.172 380 G CA 0.486 45.459 45.100 -0.211 0.000 0.966 380 G HN 0.651 nan 8.290 nan 0.000 0.542 384 Y N 0.268 120.611 120.300 0.072 0.000 2.391 384 Y HA 0.694 5.219 4.550 -0.041 0.000 0.341 384 Y C 0.742 176.094 175.900 -0.915 0.000 0.965 384 Y CA -1.094 56.905 58.100 -0.168 0.000 1.067 384 Y CB 2.506 41.115 38.460 0.248 0.000 1.199 384 Y HN 0.448 nan 8.280 nan 0.000 0.450 385 G N 2.438 110.600 108.800 -1.062 0.000 2.343 385 G HA2 0.570 4.505 3.960 -0.042 0.000 0.319 385 G HA3 0.570 4.505 3.960 -0.042 0.000 0.319 385 G C -1.657 173.026 174.900 -0.361 0.000 1.126 385 G CA -0.336 44.000 45.100 -1.273 0.000 0.889 385 G HN 0.302 nan 8.290 nan 0.000 0.457 386 F N 1.586 120.980 119.950 -0.927 0.000 2.402 386 F HA 0.497 4.998 4.527 -0.042 0.000 0.355 386 F C -0.698 174.684 175.800 -0.697 0.000 1.123 386 F CA -1.296 56.385 58.000 -0.531 0.000 1.021 386 F CB 1.710 40.530 39.000 -0.300 0.000 1.160 386 F HN 0.317 nan 8.300 nan 0.000 0.451 387 Y N 1.493 121.405 120.300 -0.646 0.000 2.361 387 Y HA 0.442 4.967 4.550 -0.042 0.000 0.337 387 Y C -1.077 174.115 175.900 -1.180 0.000 0.965 387 Y CA -1.429 56.211 58.100 -0.766 0.000 1.091 387 Y CB 1.439 39.387 38.460 -0.853 0.000 1.182 387 Y HN 0.504 nan 8.280 nan 0.000 0.450 388 W N 3.414 124.366 121.300 -0.580 0.000 2.529 388 W HA 0.618 5.253 4.660 -0.041 0.000 0.321 388 W C -1.464 174.629 176.519 -0.710 0.000 1.047 388 W CA -0.769 56.267 57.345 -0.515 0.000 1.216 388 W CB 1.172 30.506 29.460 -0.210 0.000 1.357 388 W HN 0.327 nan 8.180 nan 0.000 0.489 389 Y N 3.017 123.207 120.300 -0.184 0.000 2.425 389 Y HA 0.644 5.169 4.550 -0.042 0.000 0.344 389 Y C -0.305 175.273 175.900 -0.536 0.000 0.969 389 Y CA -1.560 56.234 58.100 -0.510 0.000 1.052 389 Y CB 1.185 39.213 38.460 -0.721 0.000 1.215 389 Y HN 0.066 nan 8.280 nan 0.000 0.451 390 L N 4.055 124.930 121.223 -0.581 0.000 2.333 390 L HA 0.530 4.845 4.340 -0.042 0.000 0.280 390 L C -1.224 175.447 176.870 -0.333 0.000 1.004 390 L CA -0.861 53.573 54.840 -0.677 0.000 0.820 390 L CB 1.293 42.635 42.059 -1.195 0.000 1.247 390 L HN 0.594 nan 8.230 nan 0.000 0.416 391 Y N 1.886 122.332 120.300 0.244 0.000 2.457 391 Y HA 0.312 4.837 4.550 -0.042 0.000 0.333 391 Y C 1.184 177.555 175.900 0.785 0.000 1.119 391 Y CA -0.696 57.672 58.100 0.447 0.000 1.143 391 Y CB 1.560 40.171 38.460 0.252 0.000 1.230 391 Y HN 0.448 nan 8.280 nan 0.000 0.469 392 L N 0.842 122.512 121.223 0.745 0.000 2.043 392 L HA -0.255 4.060 4.340 -0.042 0.000 0.212 392 L C 1.802 178.916 176.870 0.406 0.000 1.075 392 L CA 1.954 57.079 54.840 0.474 0.000 0.752 392 L CB -0.319 41.904 42.059 0.273 0.000 0.891 392 L HN 0.788 nan 8.230 nan 0.000 0.432 393 D N -0.600 120.005 120.400 0.342 0.000 2.363 393 D HA -0.039 4.576 4.640 -0.042 0.000 0.226 393 D C 1.414 177.771 176.300 0.096 0.000 1.020 393 D CA 0.983 55.065 54.000 0.137 0.000 0.892 393 D CB 0.235 41.093 40.800 0.098 0.000 0.900 393 D HN 0.400 nan 8.370 nan 0.000 0.531 394 G N -0.654 108.379 108.800 0.389 0.000 2.179 394 G HA2 -0.230 3.705 3.960 -0.042 0.000 0.220 394 G HA3 -0.230 3.705 3.960 -0.042 0.000 0.220 394 G C 0.358 175.722 174.900 0.773 0.000 0.990 394 G CA 0.161 45.516 45.100 0.425 0.000 0.646 394 G HN 0.446 nan 8.290 nan 0.000 0.517 395 T N 1.380 116.313 114.554 0.633 0.000 2.884 395 T HA 0.567 4.892 4.350 -0.042 0.000 0.298 395 T C 0.519 175.587 174.700 0.613 0.000 0.998 395 T CA 0.423 62.840 62.100 0.529 0.000 1.124 395 T CB 1.250 70.248 68.868 0.217 0.000 0.931 395 T HN 0.328 nan 8.240 nan 0.000 0.531 396 I N 2.750 123.606 120.570 0.478 0.000 2.404 396 I HA 0.495 4.640 4.170 -0.042 0.000 0.293 396 I C 0.194 176.462 176.117 0.252 0.000 0.992 396 I CA -0.567 60.906 61.300 0.288 0.000 1.149 396 I CB 1.752 39.897 38.000 0.241 0.000 1.315 396 I HN 0.593 nan 8.210 nan 0.000 0.446 397 E N 5.507 125.808 120.200 0.169 0.000 2.383 397 E HA 0.484 4.809 4.350 -0.042 0.000 0.275 397 E C -2.027 174.396 176.600 -0.294 0.000 0.918 397 E CA -0.655 55.738 56.400 -0.012 0.000 0.764 397 E CB 2.749 32.584 29.700 0.225 0.000 1.252 397 E HN 0.406 nan 8.360 nan 0.000 0.449 398 F N 2.212 121.586 119.950 -0.960 0.000 2.551 398 F HA 0.523 5.025 4.527 -0.042 0.000 0.316 398 F C -1.257 173.973 175.800 -0.950 0.000 1.089 398 F CA -0.531 56.674 58.000 -1.326 0.000 0.915 398 F CB 1.843 39.682 39.000 -1.934 0.000 1.186 398 F HN 0.496 nan 8.300 nan 0.000 0.456 399 E N 4.142 123.140 120.200 -2.004 0.000 2.278 399 E HA 0.685 5.010 4.350 -0.042 0.000 0.272 399 E C -1.954 173.743 176.600 -1.505 0.000 0.890 399 E CA -0.933 54.693 56.400 -1.291 0.000 0.770 399 E CB 1.764 31.161 29.700 -0.505 0.000 1.212 399 E HN 0.878 nan 8.360 nan 0.000 0.415 400 A N 4.477 126.662 122.820 -1.059 0.000 2.317 400 A HA 0.565 4.860 4.320 -0.042 0.000 0.327 400 A C -0.803 176.586 177.584 -0.325 0.000 1.178 400 A CA -0.702 50.882 52.037 -0.755 0.000 0.817 400 A CB 0.841 19.247 19.000 -0.990 0.000 1.189 400 A HN 0.548 nan 8.150 nan 0.000 0.489 401 K N 1.738 122.059 120.400 -0.130 0.000 2.394 401 K HA 0.559 4.854 4.320 -0.042 0.000 0.260 401 K C -0.637 176.023 176.600 0.100 0.000 0.967 401 K CA -0.298 55.992 56.287 0.005 0.000 0.855 401 K CB 2.094 34.641 32.500 0.078 0.000 1.101 401 K HN 0.729 nan 8.250 nan 0.000 0.433 402 A N 2.592 125.487 122.820 0.126 0.000 2.260 402 A HA 0.509 4.804 4.320 -0.042 0.000 0.308 402 A C -0.012 177.593 177.584 0.035 0.000 1.254 402 A CA -0.187 51.911 52.037 0.102 0.000 0.874 402 A CB 1.128 20.161 19.000 0.055 0.000 1.153 402 A HN 0.687 nan 8.150 nan 0.000 0.527 403 T N 1.005 115.542 114.554 -0.028 0.000 2.572 403 T HA 0.824 5.149 4.350 -0.042 0.000 0.274 403 T C 0.390 175.015 174.700 -0.124 0.000 0.949 403 T CA 1.004 63.089 62.100 -0.024 0.000 1.126 403 T CB 0.754 69.657 68.868 0.059 0.000 1.478 403 T HN 2.614 nan 8.240 nan 0.000 0.492 404 G N -0.191 108.527 108.800 -0.136 0.000 2.416 404 G HA2 0.055 3.990 3.960 -0.042 0.000 0.203 404 G HA3 0.055 3.990 3.960 -0.042 0.000 0.203 404 G C -1.246 173.516 174.900 -0.229 0.000 1.227 404 G CA -0.224 44.756 45.100 -0.199 0.000 1.041 404 G HN 1.288 nan 8.290 nan 0.000 0.546 405 V N 1.199 120.932 119.914 -0.302 0.000 2.513 405 V HA 0.616 4.711 4.120 -0.042 0.000 0.299 405 V C 1.136 177.083 176.094 -0.244 0.000 1.035 405 V CA -0.129 62.002 62.300 -0.282 0.000 0.889 405 V CB 1.230 32.805 31.823 -0.412 0.000 0.988 405 V HN 1.647 nan 8.190 nan 0.000 0.440 406 V N 2.111 122.043 119.914 0.030 0.000 2.872 406 V HA 0.288 4.383 4.120 -0.042 0.000 0.307 406 V C -0.147 175.998 176.094 0.085 0.000 1.072 406 V CA -0.224 62.157 62.300 0.134 0.000 1.148 406 V CB 0.044 32.041 31.823 0.290 0.000 0.954 406 V HN 0.626 nan 8.190 nan 0.000 0.490 407 F N 4.795 124.747 119.950 0.004 0.000 2.471 407 F HA 0.494 4.999 4.527 -0.037 0.000 0.365 407 F C 1.034 176.956 175.800 0.202 0.000 1.095 407 F CA 0.215 58.245 58.000 0.050 0.000 1.174 407 F CB 0.644 39.666 39.000 0.036 0.000 1.105 407 F HN 0.975 nan 8.300 nan 0.000 0.535 408 T N 1.795 116.406 114.554 0.096 0.000 2.912 408 T HA 0.802 5.127 4.350 -0.042 0.000 0.280 408 T C -0.086 174.725 174.700 0.184 0.000 0.989 408 T CA -0.273 61.930 62.100 0.172 0.000 0.995 408 T CB 1.642 70.580 68.868 0.117 0.000 1.077 408 T HN 0.682 nan 8.240 nan 0.000 0.531 409 S N -0.493 115.260 115.700 0.088 0.000 2.790 409 S HA 0.780 5.225 4.470 -0.042 0.000 0.292 409 S C -0.711 173.862 174.600 -0.046 0.000 1.197 409 S CA -0.829 57.367 58.200 -0.006 0.000 0.851 409 S CB 0.802 64.000 63.200 -0.003 0.000 1.217 409 S HN 1.381 nan 8.310 nan 0.000 0.526 410 A N 0.471 123.211 122.820 -0.133 0.000 2.316 410 A HA 0.704 4.999 4.320 -0.042 0.000 0.284 410 A C -0.834 176.771 177.584 0.035 0.000 1.115 410 A CA -0.457 51.551 52.037 -0.049 0.000 0.812 410 A CB -0.094 18.854 19.000 -0.087 0.000 1.064 410 A HN 0.930 nan 8.150 nan 0.000 0.489 411 F N 3.369 123.310 119.950 -0.016 0.000 2.404 411 F HA 0.506 5.005 4.527 -0.046 0.000 0.358 411 F C -2.111 173.725 175.800 0.060 0.000 1.120 411 F CA -2.572 55.427 58.000 -0.001 0.000 1.144 411 F CB 0.822 39.814 39.000 -0.012 0.000 1.133 411 F HN 0.309 nan 8.300 nan 0.000 0.495 412 P HA -0.033 nan 4.420 nan 0.000 0.265 412 P C -0.753 176.343 177.300 -0.339 0.000 1.193 412 P CA -0.008 62.916 63.100 -0.292 0.000 0.765 412 P CB 0.439 31.961 31.700 -0.297 0.000 0.823 413 E N 2.073 122.203 120.200 -0.117 0.000 2.376 413 E HA 0.246 4.571 4.350 -0.042 0.000 0.266 413 E C 0.899 177.443 176.600 -0.094 0.000 1.009 413 E CA 0.527 56.888 56.400 -0.066 0.000 0.902 413 E CB -0.324 29.352 29.700 -0.040 0.000 0.972 413 E HN 0.772 nan 8.360 nan 0.000 0.439 414 G N 2.879 111.645 108.800 -0.055 0.000 2.141 414 G HA2 -0.169 3.766 3.960 -0.042 0.000 0.231 414 G HA3 -0.169 3.766 3.960 -0.042 0.000 0.231 414 G C 0.592 175.448 174.900 -0.074 0.000 0.984 414 G CA -0.014 45.059 45.100 -0.045 0.000 0.660 414 G HN 1.360 nan 8.290 nan 0.000 0.525 415 G N -1.464 107.236 108.800 -0.166 0.000 2.750 415 G HA2 0.363 4.298 3.960 -0.042 0.000 0.228 415 G HA3 0.363 4.298 3.960 -0.042 0.000 0.228 415 G C -0.062 174.640 174.900 -0.330 0.000 1.367 415 G CA 0.914 45.889 45.100 -0.208 0.000 0.871 415 G HN 2.228 nan 8.290 nan 0.000 0.560 416 S N -1.491 114.115 115.700 -0.158 0.000 2.537 416 S HA 0.582 5.027 4.470 -0.042 0.000 0.271 416 S C -0.238 174.351 174.600 -0.018 0.000 1.148 416 S CA 0.401 58.519 58.200 -0.137 0.000 0.868 416 S CB 1.746 64.800 63.200 -0.244 0.000 1.115 416 S HN 0.604 nan 8.310 nan 0.000 0.461 417 D N 2.231 122.614 120.400 -0.030 0.000 2.339 417 D HA 0.200 4.815 4.640 -0.042 0.000 0.217 417 D C 0.354 176.656 176.300 0.003 0.000 1.050 417 D CA 0.510 54.538 54.000 0.046 0.000 0.856 417 D CB 0.056 40.888 40.800 0.054 0.000 0.922 417 D HN 0.607 nan 8.370 nan 0.000 0.518 418 N N -0.619 117.916 118.700 -0.275 0.000 2.143 418 N HA 0.265 4.980 4.740 -0.042 0.000 0.229 418 N C -0.386 174.441 175.510 -1.139 0.000 1.294 418 N CA -0.015 52.686 53.050 -0.581 0.000 0.883 418 N CB 1.718 40.103 38.487 -0.170 0.000 1.148 418 N HN -0.012 nan 8.380 nan 0.000 0.511 419 I N 0.334 120.353 120.570 -0.920 0.000 2.722 419 I HA 0.353 4.498 4.170 -0.042 0.000 0.295 419 I C -0.749 175.372 176.117 0.007 0.000 1.161 419 I CA -0.974 60.060 61.300 -0.442 0.000 1.032 419 I CB 2.224 40.180 38.000 -0.074 0.000 1.244 419 I HN -0.047 nan 8.210 nan 0.000 0.421 420 S N 3.738 119.587 115.700 0.249 0.000 2.578 420 S HA 0.538 4.983 4.470 -0.042 0.000 0.301 420 S C -0.759 173.811 174.600 -0.051 0.000 1.091 420 S CA -0.809 57.558 58.200 0.277 0.000 1.032 420 S CB 2.082 65.540 63.200 0.430 0.000 1.064 420 S HN 0.670 nan 8.310 nan 0.000 0.508 421 Q N 0.813 120.267 119.800 -0.577 0.000 2.267 421 Q HA 0.454 4.769 4.340 -0.042 0.000 0.255 421 Q C -0.120 175.686 176.000 -0.324 0.000 0.923 421 Q CA -0.495 54.849 55.803 -0.765 0.000 0.925 421 Q CB 0.792 28.726 28.738 -1.340 0.000 1.195 421 Q HN 0.865 nan 8.270 nan 0.000 0.417 422 L N 2.058 123.119 121.223 -0.270 0.000 2.500 422 L HA 0.521 4.836 4.340 -0.042 0.000 0.219 422 L C 0.381 177.123 176.870 -0.214 0.000 1.057 422 L CA 0.180 54.893 54.840 -0.212 0.000 0.854 422 L CB 0.523 42.361 42.059 -0.368 0.000 1.078 422 L HN 0.647 nan 8.230 nan 0.000 0.480 423 A N -1.160 121.498 122.820 -0.269 0.000 2.581 423 A HA 0.628 4.923 4.320 -0.042 0.000 0.290 423 A C -2.734 174.779 177.584 -0.118 0.000 1.119 423 A CA -1.020 50.923 52.037 -0.157 0.000 0.670 423 A CB 0.331 19.220 19.000 -0.186 0.000 1.280 423 A HN -0.233 nan 8.150 nan 0.000 0.425 424 P HA 0.275 nan 4.420 nan 0.000 0.258 424 P C 1.005 178.316 177.300 0.018 0.000 1.187 424 P CA 2.385 65.484 63.100 -0.002 0.000 0.767 424 P CB 0.316 32.028 31.700 0.021 0.000 0.770 425 G N 2.416 111.257 108.800 0.068 0.000 2.189 425 G HA2 -0.284 3.651 3.960 -0.042 0.000 0.267 425 G HA3 -0.284 3.651 3.960 -0.042 0.000 0.267 425 G C -0.113 174.842 174.900 0.093 0.000 0.975 425 G CA -0.095 45.076 45.100 0.118 0.000 0.644 425 G HN 0.559 nan 8.290 nan 0.000 0.537 426 L N 1.765 122.980 121.223 -0.012 0.000 2.264 426 L HA 0.775 5.090 4.340 -0.042 0.000 0.289 426 L C 0.716 177.541 176.870 -0.075 0.000 1.044 426 L CA 0.144 54.914 54.840 -0.116 0.000 0.807 426 L CB 1.058 42.903 42.059 -0.356 0.000 1.192 426 L HN 0.356 nan 8.230 nan 0.000 0.425 427 G N 3.422 112.242 108.800 0.034 0.000 2.489 427 G HA2 0.766 4.701 3.960 -0.042 0.000 0.327 427 G HA3 0.766 4.701 3.960 -0.042 0.000 0.327 427 G C -1.586 173.368 174.900 0.090 0.000 1.189 427 G CA -0.349 44.838 45.100 0.144 0.000 0.962 427 G HN 0.930 nan 8.290 nan 0.000 0.486 428 A N 1.456 124.376 122.820 0.168 0.000 2.410 428 A HA 0.753 5.048 4.320 -0.042 0.000 0.289 428 A C -2.829 174.951 177.584 0.327 0.000 1.200 428 A CA -1.364 50.825 52.037 0.253 0.000 0.751 428 A CB 1.615 20.775 19.000 0.267 0.000 1.161 428 A HN 0.402 nan 8.150 nan 0.000 0.459 429 P HA 0.203 nan 4.420 nan 0.000 0.268 429 P C -0.397 177.234 177.300 0.552 0.000 1.204 429 P CA 0.145 63.430 63.100 0.308 0.000 0.768 429 P CB 0.158 32.057 31.700 0.332 0.000 0.842 430 F N 3.816 123.930 119.950 0.273 0.000 2.563 430 F HA 0.175 4.678 4.527 -0.040 0.000 0.363 430 F C 1.660 177.444 175.800 -0.028 0.000 1.123 430 F CA 0.495 58.559 58.000 0.107 0.000 1.307 430 F CB -0.507 38.571 39.000 0.130 0.000 1.115 430 F HN 0.501 nan 8.300 nan 0.000 0.592 431 H N 0.130 119.097 119.070 -0.172 0.000 2.918 431 H HA 0.552 5.083 4.556 -0.041 0.000 0.303 431 H C -1.759 173.259 175.328 -0.516 0.000 1.380 431 H CA -1.123 54.581 56.048 -0.573 0.000 1.134 431 H CB 1.557 30.558 29.762 -1.268 0.000 1.842 431 H HN 0.581 nan 8.280 nan 0.000 0.533 432 Q N 0.159 119.639 119.800 -0.534 0.000 2.456 432 Q HA 0.366 4.681 4.340 -0.042 0.000 0.283 432 Q C -1.167 174.513 176.000 -0.534 0.000 1.084 432 Q CA -0.931 54.580 55.803 -0.486 0.000 0.801 432 Q CB 3.075 31.599 28.738 -0.357 0.000 1.434 432 Q HN 0.552 nan 8.270 nan 0.000 0.419 433 H N 1.564 120.451 119.070 -0.305 0.000 2.792 433 H HA 0.438 4.969 4.556 -0.042 0.000 0.298 433 H C -0.826 174.286 175.328 -0.360 0.000 1.042 433 H CA -0.231 55.628 56.048 -0.315 0.000 1.300 433 H CB 0.763 30.430 29.762 -0.158 0.000 1.431 433 H HN 0.440 nan 8.280 nan 0.000 0.496 434 I N 3.962 124.304 120.570 -0.380 0.000 2.378 434 I HA 0.248 4.393 4.170 -0.042 0.000 0.291 434 I C -0.531 175.333 176.117 -0.421 0.000 0.992 434 I CA -0.600 60.526 61.300 -0.290 0.000 1.154 434 I CB 1.026 38.876 38.000 -0.250 0.000 1.315 434 I HN 0.200 nan 8.210 nan 0.000 0.448 435 F N 3.051 122.717 119.950 -0.473 0.000 2.523 435 F HA 0.534 5.036 4.527 -0.041 0.000 0.329 435 F C 0.534 176.077 175.800 -0.428 0.000 1.061 435 F CA -0.896 56.747 58.000 -0.594 0.000 0.967 435 F CB 1.818 40.083 39.000 -1.226 0.000 1.218 435 F HN 0.250 nan 8.300 nan 0.000 0.480 436 S N 1.134 116.806 115.700 -0.047 0.000 2.756 436 S HA 0.765 5.210 4.470 -0.042 0.000 0.303 436 S C -0.936 173.737 174.600 0.121 0.000 1.135 436 S CA -0.527 57.693 58.200 0.033 0.000 1.066 436 S CB 0.431 63.479 63.200 -0.253 0.000 1.008 436 S HN 0.838 nan 8.310 nan 0.000 0.482 437 A N 4.797 127.757 122.820 0.234 0.000 2.276 437 A HA 0.610 4.905 4.320 -0.042 0.000 0.300 437 A C 0.179 177.793 177.584 0.050 0.000 1.235 437 A CA -0.626 51.521 52.037 0.183 0.000 0.867 437 A CB 0.341 19.427 19.000 0.144 0.000 1.137 437 A HN 0.841 nan 8.150 nan 0.000 0.527 438 R N 3.464 123.932 120.500 -0.053 0.000 2.229 438 R HA 0.521 4.836 4.340 -0.042 0.000 0.332 438 R C -1.526 174.585 176.300 -0.314 0.000 0.989 438 R CA -0.347 55.520 56.100 -0.389 0.000 0.842 438 R CB 0.293 30.243 30.300 -0.583 0.000 1.119 438 R HN 0.719 nan 8.270 nan 0.000 0.456 439 L N 4.548 125.572 121.223 -0.332 0.000 2.313 439 L HA 0.253 4.568 4.340 -0.042 0.000 0.273 439 L C -0.469 176.273 176.870 -0.213 0.000 1.028 439 L CA -0.850 53.872 54.840 -0.196 0.000 0.871 439 L CB 1.392 43.397 42.059 -0.089 0.000 1.242 439 L HN 0.547 nan 8.230 nan 0.000 0.434 440 D N 4.682 124.968 120.400 -0.189 0.000 2.383 440 D HA 0.153 4.768 4.640 -0.042 0.000 0.245 440 D C 0.191 176.465 176.300 -0.044 0.000 1.263 440 D CA -0.208 53.734 54.000 -0.097 0.000 0.936 440 D CB 0.597 41.364 40.800 -0.055 0.000 1.053 440 D HN 0.137 nan 8.370 nan 0.000 0.507 441 M N 2.428 122.016 119.600 -0.021 0.000 2.238 441 M HA 0.338 4.793 4.480 -0.042 0.000 0.347 441 M C 0.358 176.635 176.300 -0.040 0.000 1.173 441 M CA -0.373 54.909 55.300 -0.031 0.000 1.147 441 M CB 0.790 33.388 32.600 -0.003 0.000 1.547 441 M HN 0.481 nan 8.290 nan 0.000 0.455 442 A N 4.133 126.855 122.820 -0.163 0.000 3.292 442 A HA 0.395 4.690 4.320 -0.042 0.000 0.231 442 A C -0.313 177.134 177.584 -0.228 0.000 0.952 442 A CA -0.542 51.284 52.037 -0.352 0.000 1.044 442 A CB 0.104 18.727 19.000 -0.629 0.000 1.236 442 A HN 0.618 nan 8.150 nan 0.000 0.525 443 I N 1.617 122.126 120.570 -0.102 0.000 2.574 443 I HA 0.052 4.197 4.170 -0.042 0.000 0.291 443 I C 0.349 176.509 176.117 0.072 0.000 1.131 443 I CA 0.801 62.114 61.300 0.022 0.000 1.352 443 I CB -1.020 37.040 38.000 0.100 0.000 1.431 443 I HN 0.471 nan 8.210 nan 0.000 0.543 444 D N 5.023 125.496 120.400 0.122 0.000 2.837 444 D HA -0.157 4.458 4.640 -0.042 0.000 0.230 444 D C 0.667 176.929 176.300 -0.064 0.000 1.152 444 D CA 1.674 55.693 54.000 0.032 0.000 0.736 444 D CB -0.725 40.063 40.800 -0.020 0.000 1.084 444 D HN 1.120 nan 8.370 nan 0.000 0.429 445 G N -2.156 106.542 108.800 -0.169 0.000 2.384 445 G HA2 -0.096 3.839 3.960 -0.042 0.000 0.668 445 G HA3 -0.096 3.839 3.960 -0.042 0.000 0.668 445 G C 0.275 174.981 174.900 -0.322 0.000 1.280 445 G CA -0.374 44.566 45.100 -0.267 0.000 0.992 445 G HN 0.040 nan 8.290 nan 0.000 0.512 446 F N 0.736 120.674 119.950 -0.020 0.000 2.661 446 F HA 0.200 4.702 4.527 -0.042 0.000 0.298 446 F C 2.316 178.111 175.800 -0.009 0.000 1.137 446 F CA 1.279 59.260 58.000 -0.032 0.000 1.454 446 F CB 0.244 39.208 39.000 -0.059 0.000 1.103 446 F HN 0.293 nan 8.300 nan 0.000 0.577 447 T N 2.463 117.097 114.554 0.133 0.000 3.455 447 T HA 0.130 4.455 4.350 -0.042 0.000 0.286 447 T C -0.001 174.745 174.700 0.076 0.000 1.157 447 T CA -0.170 61.989 62.100 0.098 0.000 1.090 447 T CB -0.635 68.274 68.868 0.069 0.000 1.112 447 T HN -0.012 nan 8.240 nan 0.000 0.779 448 N N 2.460 121.214 118.700 0.090 0.000 2.471 448 N HA 0.654 5.369 4.740 -0.042 0.000 0.288 448 N C -0.205 175.354 175.510 0.082 0.000 1.220 448 N CA -0.911 52.186 53.050 0.079 0.000 0.893 448 N CB 1.771 40.304 38.487 0.077 0.000 1.256 448 N HN 0.451 nan 8.380 nan 0.000 0.534 449 R N -0.265 120.284 120.500 0.081 0.000 2.710 449 R HA 0.616 4.931 4.340 -0.042 0.000 0.270 449 R C -2.041 174.315 176.300 0.094 0.000 1.021 449 R CA -0.570 55.580 56.100 0.083 0.000 0.889 449 R CB 1.152 31.495 30.300 0.072 0.000 1.243 449 R HN 0.287 nan 8.270 nan 0.000 0.464 450 V N 2.134 122.111 119.914 0.104 0.000 2.604 450 V HA 0.475 4.570 4.120 -0.042 0.000 0.305 450 V C -0.766 175.411 176.094 0.139 0.000 1.043 450 V CA -0.708 61.670 62.300 0.131 0.000 0.888 450 V CB 1.907 33.815 31.823 0.141 0.000 0.995 450 V HN 0.795 nan 8.190 nan 0.000 0.429 451 E N 2.127 122.417 120.200 0.150 0.000 2.266 451 E HA 0.441 4.766 4.350 -0.042 0.000 0.268 451 E C -1.040 175.645 176.600 0.142 0.000 0.879 451 E CA -0.694 55.780 56.400 0.123 0.000 0.762 451 E CB 2.906 32.647 29.700 0.069 0.000 1.199 451 E HN 0.741 nan 8.360 nan 0.000 0.422 452 E N 2.580 122.848 120.200 0.113 0.000 2.146 452 E HA 0.079 4.404 4.350 -0.042 0.000 0.282 452 E C -1.015 175.507 176.600 -0.129 0.000 0.989 452 E CA -0.270 56.106 56.400 -0.041 0.000 0.799 452 E CB 0.921 30.665 29.700 0.074 0.000 1.088 452 E HN 0.398 nan 8.360 nan 0.000 0.397 453 E N 4.394 124.449 120.200 -0.242 0.000 2.113 453 E HA 0.172 4.497 4.350 -0.042 0.000 0.273 453 E C -1.252 175.229 176.600 -0.197 0.000 0.924 453 E CA -0.794 55.506 56.400 -0.166 0.000 0.764 453 E CB 0.912 30.534 29.700 -0.130 0.000 1.104 453 E HN 0.429 nan 8.360 nan 0.000 0.406 454 D N 2.563 122.891 120.400 -0.121 0.000 2.248 454 D HA 0.249 4.864 4.640 -0.042 0.000 0.246 454 D C -0.503 175.769 176.300 -0.046 0.000 1.027 454 D CA -0.552 53.388 54.000 -0.100 0.000 0.853 454 D CB 2.135 42.891 40.800 -0.073 0.000 1.243 454 D HN 0.152 nan 8.370 nan 0.000 0.462 455 V N 1.565 121.456 119.914 -0.037 0.000 2.715 455 V HA 0.170 4.265 4.120 -0.042 0.000 0.299 455 V C 0.223 176.328 176.094 0.018 0.000 1.054 455 V CA -0.243 62.062 62.300 0.008 0.000 1.077 455 V CB 1.364 33.168 31.823 -0.032 0.000 0.972 455 V HN 0.252 nan 8.190 nan 0.000 0.484 456 V N 6.357 126.311 119.914 0.067 0.000 2.409 456 V HA 0.442 4.537 4.120 -0.042 0.000 0.291 456 V C 0.274 176.422 176.094 0.089 0.000 1.020 456 V CA -0.777 61.557 62.300 0.056 0.000 0.848 456 V CB 1.524 33.376 31.823 0.048 0.000 0.990 456 V HN 0.801 nan 8.190 nan 0.000 0.430 457 R N 3.515 124.046 120.500 0.052 0.000 2.459 457 R HA 0.558 4.873 4.340 -0.042 0.000 0.281 457 R C -0.548 175.787 176.300 0.059 0.000 1.050 457 R CA -0.473 55.664 56.100 0.061 0.000 1.055 457 R CB 1.178 31.490 30.300 0.020 0.000 1.045 457 R HN 0.682 nan 8.270 nan 0.000 0.495 458 Q N 0.531 120.374 119.800 0.071 0.000 2.345 458 Q HA 0.297 4.612 4.340 -0.042 0.000 0.268 458 Q C -0.809 175.213 176.000 0.037 0.000 1.054 458 Q CA -0.736 55.097 55.803 0.049 0.000 0.835 458 Q CB 2.582 31.350 28.738 0.049 0.000 1.339 458 Q HN 0.468 nan 8.270 nan 0.000 0.447 459 T N 2.097 116.666 114.554 0.025 0.000 2.869 459 T HA 0.234 4.559 4.350 -0.042 0.000 0.295 459 T C 0.091 174.801 174.700 0.018 0.000 0.987 459 T CA -0.399 61.712 62.100 0.019 0.000 1.109 459 T CB 0.476 69.352 68.868 0.013 0.000 0.932 459 T HN 0.479 nan 8.240 nan 0.000 0.518 460 M N 3.209 122.819 119.600 0.016 0.000 2.238 460 M HA 0.446 4.901 4.480 -0.042 0.000 0.350 460 M C 0.449 176.755 176.300 0.010 0.000 1.321 460 M CA 0.822 56.131 55.300 0.014 0.000 1.097 460 M CB -0.520 32.088 32.600 0.013 0.000 1.713 460 M HN 0.927 nan 8.290 nan 0.000 0.455 461 G N 4.609 113.414 108.800 0.008 0.000 2.367 461 G HA2 0.192 4.127 3.960 -0.042 0.000 0.272 461 G HA3 0.192 4.127 3.960 -0.042 0.000 0.272 461 G C -3.377 171.525 174.900 0.004 0.000 1.271 461 G CA -1.107 43.996 45.100 0.005 0.000 0.893 461 G HN 0.424 nan 8.290 nan 0.000 0.485 462 P HA 0.305 nan 4.420 nan 0.000 0.258 462 P C 0.972 178.272 177.300 -0.000 0.000 1.172 462 P CA 2.416 65.516 63.100 0.001 0.000 0.762 462 P CB 0.588 32.288 31.700 0.001 0.000 0.764 463 G N 2.923 111.722 108.800 -0.002 0.000 2.199 463 G HA2 -0.270 3.665 3.960 -0.042 0.000 0.254 463 G HA3 -0.270 3.665 3.960 -0.042 0.000 0.254 463 G C 0.494 175.391 174.900 -0.005 0.000 0.982 463 G CA 0.269 45.366 45.100 -0.005 0.000 0.632 463 G HN 0.651 nan 8.290 nan 0.000 0.529 464 N N 0.059 118.758 118.700 -0.001 0.000 2.639 464 N HA 0.356 5.071 4.740 -0.042 0.000 0.265 464 N C 0.945 176.458 175.510 0.005 0.000 1.689 464 N CA 0.375 53.426 53.050 0.002 0.000 0.813 464 N CB 0.458 38.949 38.487 0.006 0.000 1.353 464 N HN 0.159 nan 8.380 nan 0.000 0.510 465 E N 0.053 120.254 120.200 0.003 0.000 2.153 465 E HA -0.013 4.312 4.350 -0.042 0.000 0.194 465 E C 1.177 177.781 176.600 0.006 0.000 0.988 465 E CA 1.175 57.577 56.400 0.004 0.000 0.811 465 E CB 0.118 29.819 29.700 0.002 0.000 0.746 465 E HN 0.384 nan 8.360 nan 0.000 0.466 466 R N -0.488 120.017 120.500 0.007 0.000 2.310 466 R HA 0.131 4.446 4.340 -0.042 0.000 0.202 466 R C 0.709 177.019 176.300 0.017 0.000 0.933 466 R CA 0.494 56.600 56.100 0.011 0.000 1.054 466 R CB 0.200 30.506 30.300 0.010 0.000 0.985 466 R HN 0.224 nan 8.270 nan 0.000 0.489 467 G N 2.729 111.540 108.800 0.018 0.000 2.323 467 G HA2 -0.288 3.647 3.960 -0.042 0.000 0.292 467 G HA3 -0.288 3.647 3.960 -0.042 0.000 0.292 467 G C 0.374 175.299 174.900 0.041 0.000 1.040 467 G CA 0.768 45.883 45.100 0.026 0.000 0.942 467 G HN 0.580 nan 8.290 nan 0.000 0.506 468 N N -0.869 117.858 118.700 0.046 0.000 2.227 468 N HA 0.368 5.083 4.740 -0.042 0.000 0.196 468 N C 1.036 176.608 175.510 0.103 0.000 1.142 468 N CA 0.643 53.737 53.050 0.073 0.000 0.887 468 N CB 0.150 38.668 38.487 0.050 0.000 1.022 468 N HN 0.940 nan 8.380 nan 0.000 0.500 469 A N 1.052 123.906 122.820 0.057 0.000 2.462 469 A HA 0.466 4.761 4.320 -0.042 0.000 0.243 469 A C -0.503 177.160 177.584 0.131 0.000 1.076 469 A CA -0.249 51.801 52.037 0.022 0.000 0.773 469 A CB -0.381 18.612 19.000 -0.012 0.000 1.010 469 A HN 0.460 nan 8.150 nan 0.000 0.493 470 F N 0.410 120.354 119.950 -0.009 0.000 2.619 470 F HA 0.810 5.312 4.527 -0.041 0.000 0.308 470 F C -0.306 175.487 175.800 -0.012 0.000 1.097 470 F CA -0.495 57.498 58.000 -0.011 0.000 0.953 470 F CB 1.041 40.034 39.000 -0.012 0.000 1.287 470 F HN 0.587 nan 8.300 nan 0.000 0.446 471 S N 1.043 116.859 115.700 0.192 0.000 3.132 471 S HA 0.865 5.310 4.470 -0.042 0.000 0.322 471 S C -1.507 173.172 174.600 0.132 0.000 1.124 471 S CA -0.892 57.349 58.200 0.069 0.000 0.906 471 S CB 1.511 64.722 63.200 0.019 0.000 1.349 471 S HN 1.080 nan 8.310 nan 0.000 0.686 472 R N 0.564 121.100 120.500 0.060 0.000 2.707 472 R HA 0.660 4.975 4.340 -0.042 0.000 0.272 472 R C -1.865 174.444 176.300 0.014 0.000 1.011 472 R CA -1.021 55.105 56.100 0.043 0.000 0.893 472 R CB 1.306 31.628 30.300 0.038 0.000 1.233 472 R HN 0.654 nan 8.270 nan 0.000 0.464 473 K N 1.719 122.119 120.400 0.000 0.000 2.426 473 K HA 0.574 4.869 4.320 -0.042 0.000 0.251 473 K C -1.109 175.482 176.600 -0.015 0.000 0.941 473 K CA -1.127 55.158 56.287 -0.004 0.000 0.808 473 K CB 2.696 35.195 32.500 -0.001 0.000 1.265 473 K HN 0.611 nan 8.250 nan 0.000 0.432 474 R N 1.300 121.797 120.500 -0.006 0.000 2.480 474 R HA 0.365 4.680 4.340 -0.042 0.000 0.306 474 R C -1.107 175.200 176.300 0.012 0.000 0.958 474 R CA -0.889 55.209 56.100 -0.003 0.000 0.861 474 R CB 2.501 32.803 30.300 0.003 0.000 1.171 474 R HN 0.663 nan 8.270 nan 0.000 0.445 475 T N 2.380 116.946 114.554 0.021 0.000 2.786 475 T HA 0.245 4.570 4.350 -0.042 0.000 0.283 475 T C 0.003 174.737 174.700 0.057 0.000 0.992 475 T CA -0.594 61.527 62.100 0.036 0.000 0.954 475 T CB 1.608 70.498 68.868 0.037 0.000 0.934 475 T HN 0.133 nan 8.240 nan 0.000 0.440 476 V N 4.969 124.915 119.914 0.053 0.000 2.614 476 V HA 0.261 4.356 4.120 -0.042 0.000 0.291 476 V C 0.278 176.414 176.094 0.070 0.000 1.049 476 V CA -0.576 61.762 62.300 0.064 0.000 1.038 476 V CB 0.674 32.529 31.823 0.053 0.000 0.980 476 V HN 0.714 nan 8.190 nan 0.000 0.481 477 L N 5.284 126.558 121.223 0.085 0.000 2.259 477 L HA 0.289 4.604 4.340 -0.042 0.000 0.288 477 L C 1.443 178.356 176.870 0.071 0.000 1.051 477 L CA -0.160 54.728 54.840 0.080 0.000 0.824 477 L CB 1.044 43.161 42.059 0.096 0.000 1.206 477 L HN 0.918 nan 8.230 nan 0.000 0.429 478 T N -0.635 113.955 114.554 0.059 0.000 3.031 478 T HA 0.169 4.494 4.350 -0.042 0.000 0.254 478 T C 0.955 175.689 174.700 0.056 0.000 1.060 478 T CA 0.069 62.202 62.100 0.055 0.000 1.135 478 T CB 0.330 69.225 68.868 0.045 0.000 0.896 478 T HN 0.305 nan 8.240 nan 0.000 0.472 479 R N 0.895 121.428 120.500 0.054 0.000 2.807 479 R HA 0.480 4.795 4.340 -0.042 0.000 0.276 479 R C 0.674 177.012 176.300 0.062 0.000 0.979 479 R CA -0.637 55.496 56.100 0.055 0.000 0.928 479 R CB 1.296 31.623 30.300 0.044 0.000 1.191 479 R HN 0.264 nan 8.270 nan 0.000 0.471 480 E N 0.520 120.764 120.200 0.074 0.000 2.209 480 E HA -0.170 4.155 4.350 -0.042 0.000 0.196 480 E C 1.147 177.788 176.600 0.069 0.000 0.993 480 E CA 1.874 58.328 56.400 0.089 0.000 0.819 480 E CB 0.154 29.919 29.700 0.108 0.000 0.745 480 E HN 0.618 nan 8.360 nan 0.000 0.477 481 S N 0.409 116.139 115.700 0.051 0.000 2.547 481 S HA -0.105 4.340 4.470 -0.042 0.000 0.235 481 S C 1.209 175.817 174.600 0.013 0.000 0.980 481 S CA 0.732 58.951 58.200 0.032 0.000 0.941 481 S CB -0.067 63.150 63.200 0.029 0.000 0.763 481 S HN 0.265 nan 8.310 nan 0.000 0.532 482 E N 0.254 120.465 120.200 0.019 0.000 2.583 482 E HA 0.408 4.733 4.350 -0.042 0.000 0.213 482 E C 0.855 177.458 176.600 0.005 0.000 0.989 482 E CA 0.255 56.661 56.400 0.010 0.000 0.991 482 E CB 0.671 30.387 29.700 0.026 0.000 1.040 482 E HN 0.548 nan 8.360 nan 0.000 0.481 483 A N 1.097 123.920 122.820 0.005 0.000 2.415 483 A HA 0.217 4.512 4.320 -0.042 0.000 0.248 483 A C 0.406 177.930 177.584 -0.101 0.000 1.299 483 A CA -0.093 51.946 52.037 0.003 0.000 0.899 483 A CB 0.198 19.241 19.000 0.071 0.000 0.997 483 A HN 0.035 nan 8.150 nan 0.000 0.506 484 V N 2.833 122.618 119.914 -0.215 0.000 2.277 484 V HA 0.360 4.455 4.120 -0.042 0.000 0.269 484 V C -0.414 175.446 176.094 -0.389 0.000 1.036 484 V CA -0.739 61.237 62.300 -0.540 0.000 0.821 484 V CB 0.351 31.764 31.823 -0.684 0.000 1.052 484 V HN 0.438 nan 8.190 nan 0.000 0.462 485 R N 3.417 123.701 120.500 -0.361 0.000 2.668 485 R HA 0.650 4.965 4.340 -0.042 0.000 0.279 485 R C -0.046 176.197 176.300 -0.095 0.000 0.976 485 R CA -0.667 55.357 56.100 -0.127 0.000 0.978 485 R CB 1.990 32.325 30.300 0.059 0.000 1.133 485 R HN 0.888 nan 8.270 nan 0.000 0.484 486 E N 0.410 120.663 120.200 0.089 0.000 2.281 486 E HA 0.714 5.039 4.350 -0.042 0.000 0.262 486 E C -0.842 175.963 176.600 0.341 0.000 0.933 486 E CA -1.131 55.351 56.400 0.136 0.000 0.809 486 E CB 1.664 31.402 29.700 0.062 0.000 1.242 486 E HN 0.525 nan 8.360 nan 0.000 0.418 487 A N 1.164 124.179 122.820 0.326 0.000 2.366 487 A HA 0.284 4.579 4.320 -0.042 0.000 0.249 487 A C -0.321 177.362 177.584 0.165 0.000 1.084 487 A CA -0.124 52.121 52.037 0.346 0.000 0.794 487 A CB 0.391 19.582 19.000 0.317 0.000 1.034 487 A HN 0.697 nan 8.150 nan 0.000 0.491 488 D N 0.180 120.630 120.400 0.083 0.000 2.527 488 D HA 0.411 5.026 4.640 -0.042 0.000 0.242 488 D C 0.682 176.982 176.300 0.001 0.000 1.285 488 D CA 0.283 54.300 54.000 0.030 0.000 0.886 488 D CB 0.640 41.440 40.800 0.000 0.000 1.402 488 D HN 0.471 nan 8.370 nan 0.000 0.528 489 A N 2.775 125.613 122.820 0.030 0.000 1.933 489 A HA -0.167 4.128 4.320 -0.042 0.000 0.218 489 A C 2.091 179.671 177.584 -0.007 0.000 1.175 489 A CA 1.439 53.489 52.037 0.021 0.000 0.628 489 A CB -0.213 18.814 19.000 0.045 0.000 0.814 489 A HN 0.491 nan 8.150 nan 0.000 0.444 490 R N -0.194 120.302 120.500 -0.007 0.000 2.103 490 R HA -0.145 4.170 4.340 -0.042 0.000 0.242 490 R C 1.672 177.949 176.300 -0.038 0.000 1.142 490 R CA 2.063 58.151 56.100 -0.020 0.000 0.960 490 R CB -0.394 29.899 30.300 -0.012 0.000 0.858 490 R HN 0.616 nan 8.270 nan 0.000 0.439 491 T N -3.267 111.262 114.554 -0.042 0.000 3.223 491 T HA 0.254 4.579 4.350 -0.042 0.000 0.259 491 T C 0.848 175.504 174.700 -0.073 0.000 1.015 491 T CA 0.129 62.195 62.100 -0.056 0.000 0.908 491 T CB 0.693 69.531 68.868 -0.051 0.000 1.054 491 T HN 0.394 nan 8.240 nan 0.000 0.567 492 G N 2.447 111.207 108.800 -0.067 0.000 2.341 492 G HA2 -0.353 3.582 3.960 -0.042 0.000 0.292 492 G HA3 -0.353 3.582 3.960 -0.042 0.000 0.292 492 G C 0.061 174.885 174.900 -0.127 0.000 1.021 492 G CA 0.246 45.305 45.100 -0.069 0.000 0.905 492 G HN 0.910 nan 8.290 nan 0.000 0.508 493 R N 0.469 120.856 120.500 -0.189 0.000 2.522 493 R HA 0.422 4.737 4.340 -0.042 0.000 0.284 493 R C 0.878 176.808 176.300 -0.617 0.000 1.032 493 R CA 1.013 56.879 56.100 -0.390 0.000 1.049 493 R CB 0.238 30.295 30.300 -0.406 0.000 0.956 493 R HN 0.486 nan 8.270 nan 0.000 0.422 494 T N 0.634 114.729 114.554 -0.765 0.000 2.812 494 T HA 0.533 4.858 4.350 -0.042 0.000 0.294 494 T C -1.095 173.053 174.700 -0.920 0.000 1.159 494 T CA -0.968 60.688 62.100 -0.740 0.000 1.008 494 T CB 1.231 69.867 68.868 -0.386 0.000 1.289 494 T HN 0.566 nan 8.240 nan 0.000 0.514 495 W N 0.627 121.872 121.300 -0.092 0.000 2.781 495 W HA 0.590 5.225 4.660 -0.042 0.000 0.333 495 W C -1.187 175.301 176.519 -0.051 0.000 1.047 495 W CA -1.176 56.138 57.345 -0.052 0.000 1.236 495 W CB 1.642 31.078 29.460 -0.039 0.000 1.394 495 W HN 0.589 nan 8.180 nan 0.000 0.466 496 I N 4.410 125.063 120.570 0.138 0.000 2.354 496 I HA 0.303 4.448 4.170 -0.042 0.000 0.292 496 I C -0.300 175.895 176.117 0.131 0.000 0.989 496 I CA -0.948 60.412 61.300 0.101 0.000 1.188 496 I CB 1.289 39.319 38.000 0.050 0.000 1.342 496 I HN 0.089 nan 8.210 nan 0.000 0.457 497 I N 6.143 126.795 120.570 0.138 0.000 2.312 497 I HA 0.296 4.441 4.170 -0.042 0.000 0.290 497 I C 0.326 176.521 176.117 0.129 0.000 1.008 497 I CA 0.273 61.648 61.300 0.125 0.000 1.226 497 I CB 1.274 39.339 38.000 0.108 0.000 1.371 497 I HN 0.601 nan 8.210 nan 0.000 0.468 498 S N 4.033 119.798 115.700 0.108 0.000 2.671 498 S HA 0.578 5.023 4.470 -0.042 0.000 0.299 498 S C -0.736 173.914 174.600 0.084 0.000 1.116 498 S CA -0.943 57.320 58.200 0.105 0.000 0.912 498 S CB 1.952 65.202 63.200 0.083 0.000 1.130 498 S HN 0.506 nan 8.310 nan 0.000 0.501 499 N N 1.918 120.663 118.700 0.074 0.000 2.558 499 N HA 0.375 5.090 4.740 -0.042 0.000 0.242 499 N C -1.937 173.592 175.510 0.032 0.000 0.979 499 N CA -2.338 50.741 53.050 0.048 0.000 0.931 499 N CB 1.472 39.980 38.487 0.036 0.000 1.122 499 N HN 0.402 nan 8.380 nan 0.000 0.508 500 P HA -0.052 nan 4.420 nan 0.000 0.231 500 P C -0.114 177.194 177.300 0.013 0.000 1.158 500 P CA 1.079 64.194 63.100 0.025 0.000 0.763 500 P CB 0.485 32.204 31.700 0.031 0.000 0.805 501 E N -1.011 119.195 120.200 0.010 0.000 2.558 501 E HA 0.184 4.509 4.350 -0.042 0.000 0.205 501 E C -0.091 176.500 176.600 -0.015 0.000 1.006 501 E CA -0.123 56.278 56.400 0.001 0.000 0.961 501 E CB 0.496 30.201 29.700 0.009 0.000 1.044 501 E HN -0.057 nan 8.360 nan 0.000 0.465 502 S N 1.391 117.076 115.700 -0.025 0.000 2.789 502 S HA 0.254 4.699 4.470 -0.042 0.000 0.286 502 S C -1.027 173.532 174.600 -0.068 0.000 1.153 502 S CA -0.839 57.328 58.200 -0.056 0.000 1.084 502 S CB 0.235 63.391 63.200 -0.074 0.000 1.036 502 S HN -0.081 nan 8.310 nan 0.000 0.484 503 K N 3.138 123.498 120.400 -0.068 0.000 2.123 503 K HA 0.408 4.704 4.320 -0.042 0.000 0.259 503 K C 0.224 176.769 176.600 -0.091 0.000 0.960 503 K CA -0.799 55.450 56.287 -0.064 0.000 0.872 503 K CB 0.935 33.410 32.500 -0.042 0.000 1.079 503 K HN 0.784 nan 8.250 nan 0.000 0.440 504 N N 0.375 119.022 118.700 -0.089 0.000 2.366 504 N HA 0.050 4.765 4.740 -0.042 0.000 0.277 504 N C 0.847 176.321 175.510 -0.059 0.000 1.275 504 N CA -0.383 52.609 53.050 -0.096 0.000 0.964 504 N CB 0.304 38.741 38.487 -0.084 0.000 1.167 504 N HN 0.542 nan 8.380 nan 0.000 0.568 505 R N -0.767 119.706 120.500 -0.046 0.000 2.241 505 R HA 0.015 4.330 4.340 -0.042 0.000 0.224 505 R C 0.586 176.872 176.300 -0.024 0.000 1.101 505 R CA 1.139 57.221 56.100 -0.031 0.000 0.995 505 R CB -0.727 29.560 30.300 -0.021 0.000 0.870 505 R HN 0.561 nan 8.270 nan 0.000 0.463 506 L N 1.194 122.404 121.223 -0.023 0.000 2.653 506 L HA 0.156 4.471 4.340 -0.042 0.000 0.232 506 L C 0.224 177.083 176.870 -0.018 0.000 1.169 506 L CA -0.153 54.676 54.840 -0.018 0.000 0.951 506 L CB -0.671 41.380 42.059 -0.014 0.000 1.181 506 L HN 0.410 nan 8.230 nan 0.000 0.460 507 N N 1.683 120.369 118.700 -0.023 0.000 2.735 507 N HA -0.157 4.558 4.740 -0.042 0.000 0.248 507 N C -0.394 175.105 175.510 -0.019 0.000 1.083 507 N CA 0.451 53.487 53.050 -0.022 0.000 0.703 507 N CB -0.014 38.463 38.487 -0.017 0.000 1.005 507 N HN 0.412 nan 8.380 nan 0.000 0.550 508 E N 0.197 120.384 120.200 -0.022 0.000 2.212 508 E HA 0.407 4.732 4.350 -0.042 0.000 0.268 508 E C -2.478 174.110 176.600 -0.020 0.000 0.902 508 E CA -1.765 54.626 56.400 -0.015 0.000 0.779 508 E CB 1.473 31.167 29.700 -0.011 0.000 1.172 508 E HN 0.101 nan 8.360 nan 0.000 0.409 509 P HA -0.066 nan 4.420 nan 0.000 0.263 509 P C -0.041 177.260 177.300 0.003 0.000 1.195 509 P CA -0.015 63.083 63.100 -0.003 0.000 0.762 509 P CB 0.349 32.059 31.700 0.016 0.000 0.799 510 V N 2.136 122.038 119.914 -0.019 0.000 2.872 510 V HA 0.690 4.785 4.120 -0.042 0.000 0.307 510 V C 0.597 176.779 176.094 0.147 0.000 1.072 510 V CA 0.280 62.581 62.300 0.002 0.000 1.148 510 V CB 0.245 31.956 31.823 -0.185 0.000 0.954 510 V HN 0.716 nan 8.190 nan 0.000 0.490 511 G N 2.268 111.207 108.800 0.231 0.000 2.649 511 G HA2 0.612 4.547 3.960 -0.042 0.000 0.290 511 G HA3 0.612 4.547 3.960 -0.042 0.000 0.290 511 G C -2.307 172.735 174.900 0.237 0.000 1.426 511 G CA -0.749 44.492 45.100 0.235 0.000 0.794 511 G HN 0.745 nan 8.290 nan 0.000 0.483 512 Y N -0.088 120.235 120.300 0.038 0.000 2.457 512 Y HA 0.593 5.118 4.550 -0.042 0.000 0.343 512 Y C 0.071 175.985 175.900 0.024 0.000 0.994 512 Y CA -0.812 57.292 58.100 0.008 0.000 1.031 512 Y CB 2.765 41.197 38.460 -0.047 0.000 1.246 512 Y HN 0.507 nan 8.280 nan 0.000 0.449 513 K N 4.261 124.696 120.400 0.059 0.000 2.235 513 K HA 0.530 4.825 4.320 -0.042 0.000 0.266 513 K C -1.638 174.910 176.600 -0.086 0.000 0.980 513 K CA -0.838 55.422 56.287 -0.045 0.000 0.849 513 K CB 0.980 33.387 32.500 -0.155 0.000 1.098 513 K HN 0.653 nan 8.250 nan 0.000 0.445 514 L N 5.142 126.338 121.223 -0.046 0.000 2.265 514 L HA 0.278 4.593 4.340 -0.042 0.000 0.288 514 L C -1.298 175.509 176.870 -0.104 0.000 1.058 514 L CA 0.064 54.921 54.840 0.028 0.000 0.809 514 L CB 0.441 42.559 42.059 0.097 0.000 1.179 514 L HN 0.666 nan 8.230 nan 0.000 0.429 515 H N 4.647 123.821 119.070 0.175 0.000 2.581 515 H HA 0.675 5.206 4.556 -0.042 0.000 0.308 515 H C 0.015 175.480 175.328 0.229 0.000 1.040 515 H CA -0.066 56.077 56.048 0.159 0.000 1.231 515 H CB 1.183 31.022 29.762 0.129 0.000 1.396 515 H HN 0.866 nan 8.280 nan 0.000 0.467 516 A N 2.230 125.247 122.820 0.328 0.000 2.264 516 A HA 0.202 4.497 4.320 -0.042 0.000 0.304 516 A C 0.405 178.284 177.584 0.492 0.000 1.100 516 A CA -0.570 51.705 52.037 0.396 0.000 0.839 516 A CB 0.489 19.756 19.000 0.444 0.000 1.121 516 A HN 1.009 nan 8.150 nan 0.000 0.496 517 H N 0.666 119.915 119.070 0.299 0.000 2.548 517 H HA 0.004 4.534 4.556 -0.042 0.000 0.268 517 H C -0.145 175.299 175.328 0.193 0.000 0.975 517 H CA 0.239 56.410 56.048 0.205 0.000 1.195 517 H CB 0.172 30.042 29.762 0.179 0.000 1.397 517 H HN 0.751 nan 8.280 nan 0.000 0.572 518 N N 2.040 120.959 118.700 0.365 0.000 2.740 518 N HA -0.165 4.550 4.740 -0.042 0.000 0.248 518 N C -0.597 175.042 175.510 0.214 0.000 1.062 518 N CA 0.541 53.754 53.050 0.271 0.000 0.704 518 N CB -0.905 37.703 38.487 0.201 0.000 0.968 518 N HN 0.524 nan 8.380 nan 0.000 0.547 519 Q N -0.103 119.837 119.800 0.233 0.000 2.368 519 Q HA 0.357 4.672 4.340 -0.042 0.000 0.237 519 Q C -1.838 174.236 176.000 0.124 0.000 0.987 519 Q CA -1.087 54.818 55.803 0.170 0.000 0.896 519 Q CB 0.263 29.112 28.738 0.185 0.000 1.241 519 Q HN 0.135 nan 8.270 nan 0.000 0.485 520 P HA -0.012 nan 4.420 nan 0.000 0.267 520 P C -0.209 177.104 177.300 0.021 0.000 1.200 520 P CA 0.232 63.360 63.100 0.046 0.000 0.772 520 P CB 0.459 32.172 31.700 0.022 0.000 0.855 521 T N 0.123 114.683 114.554 0.011 0.000 2.891 521 T HA 0.308 4.633 4.350 -0.042 0.000 0.294 521 T C 0.282 174.938 174.700 -0.074 0.000 1.065 521 T CA -0.893 61.192 62.100 -0.025 0.000 0.936 521 T CB 0.034 68.901 68.868 -0.002 0.000 1.415 521 T HN 0.185 nan 8.240 nan 0.000 0.572 522 L N 1.086 122.237 121.223 -0.119 0.000 2.628 522 L HA 0.150 4.465 4.340 -0.042 0.000 0.274 522 L C 0.851 177.669 176.870 -0.087 0.000 1.209 522 L CA 0.244 54.998 54.840 -0.143 0.000 0.930 522 L CB -0.491 41.456 42.059 -0.187 0.000 1.183 522 L HN 0.633 nan 8.230 nan 0.000 0.492 523 L N 5.034 126.208 121.223 -0.081 0.000 2.375 523 L HA 0.192 4.507 4.340 -0.042 0.000 0.215 523 L C 1.435 178.292 176.870 -0.023 0.000 1.108 523 L CA 0.243 55.060 54.840 -0.039 0.000 0.830 523 L CB -0.533 41.510 42.059 -0.028 0.000 0.959 523 L HN 0.838 nan 8.230 nan 0.000 0.457 524 A N 0.737 123.534 122.820 -0.039 0.000 2.555 524 A HA -0.109 4.186 4.320 -0.042 0.000 0.233 524 A C 0.333 177.914 177.584 -0.005 0.000 1.060 524 A CA -0.082 51.945 52.037 -0.017 0.000 0.759 524 A CB -0.083 18.901 19.000 -0.025 0.000 0.995 524 A HN 0.281 nan 8.150 nan 0.000 0.506 525 D N 2.549 122.956 120.400 0.011 0.000 2.525 525 D HA -0.012 4.603 4.640 -0.042 0.000 0.235 525 D C -1.094 175.211 176.300 0.009 0.000 1.137 525 D CA -0.721 53.288 54.000 0.014 0.000 0.868 525 D CB 0.833 41.647 40.800 0.024 0.000 1.180 525 D HN 0.294 nan 8.370 nan 0.000 0.465 526 P HA -0.097 nan 4.420 nan 0.000 0.221 526 P C 0.974 178.278 177.300 0.007 0.000 1.145 526 P CA 0.909 64.012 63.100 0.004 0.000 0.795 526 P CB 0.116 31.819 31.700 0.005 0.000 0.775 527 G N -0.149 108.658 108.800 0.012 0.000 3.141 527 G HA2 0.065 4.000 3.960 -0.042 0.000 0.218 527 G HA3 0.065 4.000 3.960 -0.042 0.000 0.218 527 G C 0.576 175.489 174.900 0.021 0.000 1.170 527 G CA 0.078 45.186 45.100 0.013 0.000 0.769 527 G HN 0.427 nan 8.290 nan 0.000 0.546 528 S N -0.684 115.031 115.700 0.026 0.000 2.614 528 S HA 0.307 4.752 4.470 -0.042 0.000 0.265 528 S C 1.610 176.231 174.600 0.034 0.000 1.303 528 S CA 0.458 58.687 58.200 0.049 0.000 1.000 528 S CB 1.687 64.920 63.200 0.055 0.000 0.935 528 S HN 0.083 nan 8.310 nan 0.000 0.551 529 S N 0.674 116.405 115.700 0.051 0.000 2.368 529 S HA -0.140 4.305 4.470 -0.042 0.000 0.225 529 S C 1.691 176.284 174.600 -0.011 0.000 1.030 529 S CA 1.178 59.351 58.200 -0.044 0.000 0.999 529 S CB -0.824 62.232 63.200 -0.239 0.000 0.844 529 S HN 0.717 nan 8.310 nan 0.000 0.459 530 I N 2.060 122.662 120.570 0.053 0.000 2.361 530 I HA 0.029 4.174 4.170 -0.042 0.000 0.251 530 I C 2.313 178.439 176.117 0.014 0.000 1.133 530 I CA 1.231 62.568 61.300 0.062 0.000 1.413 530 I CB -0.931 37.093 38.000 0.042 0.000 1.073 530 I HN 0.328 nan 8.210 nan 0.000 0.424 531 A N 0.464 123.282 122.820 -0.004 0.000 1.933 531 A HA -0.190 4.105 4.320 -0.042 0.000 0.218 531 A C 2.450 180.023 177.584 -0.018 0.000 1.175 531 A CA 1.626 53.648 52.037 -0.025 0.000 0.628 531 A CB -0.548 18.444 19.000 -0.013 0.000 0.814 531 A HN 0.473 nan 8.150 nan 0.000 0.444 532 R N -0.976 119.519 120.500 -0.008 0.000 2.075 532 R HA 0.042 4.357 4.340 -0.042 0.000 0.226 532 R C 2.289 178.580 176.300 -0.015 0.000 1.114 532 R CA 1.105 57.195 56.100 -0.015 0.000 0.972 532 R CB -0.224 30.064 30.300 -0.021 0.000 0.869 532 R HN 0.440 nan 8.270 nan 0.000 0.437 533 R N 0.288 120.797 120.500 0.016 0.000 2.193 533 R HA 0.077 4.392 4.340 -0.042 0.000 0.213 533 R C 0.792 177.174 176.300 0.137 0.000 1.055 533 R CA 0.998 57.120 56.100 0.036 0.000 0.995 533 R CB 0.320 30.656 30.300 0.061 0.000 0.893 533 R HN 0.056 nan 8.270 nan 0.000 0.459 534 A N 0.057 122.970 122.820 0.155 0.000 2.956 534 A HA 0.503 4.798 4.320 -0.042 0.000 0.294 534 A C 1.011 178.490 177.584 -0.175 0.000 0.993 534 A CA -0.165 51.956 52.037 0.139 0.000 1.032 534 A CB 0.403 19.434 19.000 0.051 0.000 1.129 534 A HN 0.215 nan 8.150 nan 0.000 0.505 535 A N 0.236 123.010 122.820 -0.076 0.000 2.024 535 A HA -0.034 4.261 4.320 -0.042 0.000 0.220 535 A C 1.773 179.305 177.584 -0.087 0.000 1.164 535 A CA 1.791 53.787 52.037 -0.069 0.000 0.643 535 A CB -0.952 18.027 19.000 -0.036 0.000 0.806 535 A HN 1.420 nan 8.150 nan 0.000 0.451 536 F N -0.122 119.638 119.950 -0.317 0.000 2.161 536 F HA -0.010 4.492 4.527 -0.042 0.000 0.300 536 F C 2.042 177.858 175.800 0.027 0.000 1.089 536 F CA 0.936 58.626 58.000 -0.516 0.000 1.282 536 F CB -0.884 37.741 39.000 -0.625 0.000 1.010 536 F HN 0.143 nan 8.300 nan 0.000 0.485 537 A N 0.448 122.513 122.820 -1.259 0.000 2.209 537 A HA -0.023 4.272 4.320 -0.042 0.000 0.212 537 A C 2.102 179.518 177.584 -0.281 0.000 1.158 537 A CA 1.363 52.867 52.037 -0.888 0.000 0.742 537 A CB -1.508 16.809 19.000 -1.138 0.000 0.790 537 A HN 0.599 nan 8.150 nan 0.000 0.472 538 T N -3.608 110.889 114.554 -0.094 0.000 3.081 538 T HA 0.188 4.513 4.350 -0.042 0.000 0.255 538 T C 0.619 175.346 174.700 0.045 0.000 1.113 538 T CA 0.247 62.343 62.100 -0.007 0.000 1.082 538 T CB 0.100 68.982 68.868 0.024 0.000 0.939 538 T HN 0.104 nan 8.240 nan 0.000 0.506 539 K N 0.930 121.417 120.400 0.145 0.000 2.435 539 K HA 0.405 4.700 4.320 -0.042 0.000 0.251 539 K C -0.452 176.211 176.600 0.106 0.000 0.954 539 K CA -0.521 55.769 56.287 0.005 0.000 0.820 539 K CB 2.122 34.382 32.500 -0.399 0.000 1.292 539 K HN -0.054 nan 8.250 nan 0.000 0.436 540 D N 0.266 120.678 120.400 0.020 0.000 2.162 540 D HA -0.007 4.608 4.640 -0.042 0.000 0.203 540 D C -0.009 176.326 176.300 0.058 0.000 0.967 540 D CA 0.779 54.834 54.000 0.092 0.000 0.840 540 D CB 0.324 41.223 40.800 0.166 0.000 0.972 540 D HN 0.119 nan 8.370 nan 0.000 0.482 541 L N -0.211 120.877 121.223 -0.225 0.000 2.464 541 L HA 0.452 4.767 4.340 -0.042 0.000 0.266 541 L C -1.995 174.722 176.870 -0.256 0.000 0.965 541 L CA -0.636 54.035 54.840 -0.282 0.000 0.833 541 L CB 1.479 42.910 42.059 -1.047 0.000 1.296 541 L HN -0.129 nan 8.230 nan 0.000 0.405 542 W N 4.294 125.578 121.300 -0.026 0.000 2.819 542 W HA 0.762 5.397 4.660 -0.042 0.000 0.337 542 W C -1.149 175.475 176.519 0.175 0.000 1.077 542 W CA -0.841 56.529 57.345 0.042 0.000 1.226 542 W CB 2.003 31.465 29.460 0.002 0.000 1.419 542 W HN 0.147 nan 8.180 nan 0.000 0.502 543 V N 2.717 122.838 119.914 0.344 0.000 2.483 543 V HA 0.693 4.788 4.120 -0.042 0.000 0.297 543 V C -0.059 176.230 176.094 0.325 0.000 1.027 543 V CA -0.795 61.696 62.300 0.318 0.000 0.855 543 V CB 1.310 33.234 31.823 0.169 0.000 0.995 543 V HN 0.597 nan 8.190 nan 0.000 0.424 544 T N 1.650 116.446 114.554 0.404 0.000 2.916 544 T HA 0.754 5.079 4.350 -0.042 0.000 0.292 544 T C -0.450 174.393 174.700 0.239 0.000 1.064 544 T CA -0.973 61.321 62.100 0.323 0.000 1.011 544 T CB 2.126 71.242 68.868 0.414 0.000 1.152 544 T HN 0.487 nan 8.240 nan 0.000 0.510 545 R N 0.879 121.478 120.500 0.164 0.000 2.340 545 R HA 0.340 4.655 4.340 -0.042 0.000 0.300 545 R C -0.795 175.571 176.300 0.111 0.000 1.069 545 R CA -0.906 55.270 56.100 0.127 0.000 0.984 545 R CB -0.593 29.758 30.300 0.084 0.000 1.003 545 R HN 0.773 nan 8.270 nan 0.000 0.459 546 Y N 3.131 123.434 120.300 0.005 0.000 2.702 546 Y HA 0.284 4.809 4.550 -0.042 0.000 0.336 546 Y C -0.731 175.122 175.900 -0.078 0.000 1.235 546 Y CA 0.884 58.956 58.100 -0.046 0.000 1.492 546 Y CB 0.522 38.929 38.460 -0.088 0.000 1.308 546 Y HN 0.741 nan 8.280 nan 0.000 0.589 547 A N 4.909 127.079 122.820 -1.084 0.000 2.491 547 A HA 0.251 4.546 4.320 -0.042 0.000 0.293 547 A C 0.045 177.001 177.584 -1.047 0.000 1.047 547 A CA -0.296 51.221 52.037 -0.866 0.000 0.735 547 A CB 0.447 19.172 19.000 -0.457 0.000 1.281 547 A HN 0.835 nan 8.150 nan 0.000 0.398 548 D N 1.837 121.764 120.400 -0.788 0.000 2.311 548 D HA -0.202 4.413 4.640 -0.042 0.000 0.212 548 D C 0.621 176.736 176.300 -0.308 0.000 0.972 548 D CA 1.712 55.455 54.000 -0.429 0.000 0.887 548 D CB 0.030 40.743 40.800 -0.145 0.000 0.915 548 D HN 0.600 nan 8.370 nan 0.000 0.497 549 D N -0.143 120.069 120.400 -0.313 0.000 2.369 549 D HA -0.045 4.570 4.640 -0.042 0.000 0.211 549 D C -0.237 175.876 176.300 -0.311 0.000 1.077 549 D CA -0.165 53.694 54.000 -0.236 0.000 0.842 549 D CB -0.390 40.318 40.800 -0.153 0.000 0.947 549 D HN 0.249 nan 8.370 nan 0.000 0.509 550 E N 0.862 120.788 120.200 -0.457 0.000 2.261 550 E HA 0.313 4.638 4.350 -0.042 0.000 0.239 550 E C 0.436 176.871 176.600 -0.275 0.000 0.991 550 E CA -0.253 55.775 56.400 -0.620 0.000 0.847 550 E CB 1.156 30.242 29.700 -1.024 0.000 1.223 550 E HN 0.091 nan 8.360 nan 0.000 0.446 551 R N 0.998 121.318 120.500 -0.300 0.000 2.195 551 R HA 0.123 4.438 4.340 -0.042 0.000 0.197 551 R C -0.167 175.837 176.300 -0.494 0.000 0.990 551 R CA 0.582 56.355 56.100 -0.546 0.000 1.048 551 R CB 0.563 30.210 30.300 -1.090 0.000 0.997 551 R HN 0.284 nan 8.270 nan 0.000 0.502 552 Y N -0.065 120.355 120.300 0.199 0.000 2.462 552 Y HA 0.299 4.824 4.550 -0.041 0.000 0.346 552 Y C -1.794 174.069 175.900 -0.062 0.000 0.976 552 Y CA -3.184 54.977 58.100 0.101 0.000 1.044 552 Y CB 1.307 39.720 38.460 -0.079 0.000 1.230 552 Y HN -0.169 nan 8.280 nan 0.000 0.455 553 P HA -0.093 nan 4.420 nan 0.000 0.226 553 P C 0.648 177.635 177.300 -0.522 0.000 1.153 553 P CA 1.497 64.215 63.100 -0.637 0.000 0.777 553 P CB 0.189 31.409 31.700 -0.799 0.000 0.794 554 T N -4.925 109.431 114.554 -0.330 0.000 3.044 554 T HA 0.509 4.834 4.350 -0.042 0.000 0.260 554 T C 0.897 175.400 174.700 -0.329 0.000 1.019 554 T CA 0.133 62.062 62.100 -0.285 0.000 0.921 554 T CB 0.063 68.804 68.868 -0.212 0.000 1.053 554 T HN 0.341 nan 8.240 nan 0.000 0.533 555 G N 1.296 109.969 108.800 -0.211 0.000 2.661 555 G HA2 -0.146 3.789 3.960 -0.042 0.000 0.685 555 G HA3 -0.146 3.789 3.960 -0.042 0.000 0.685 555 G C -0.222 174.622 174.900 -0.094 0.000 1.298 555 G CA -0.135 44.873 45.100 -0.153 0.000 0.855 555 G HN 0.131 nan 8.290 nan 0.000 0.560 556 D N -0.624 119.687 120.400 -0.149 0.000 2.183 556 D HA 0.021 4.637 4.640 -0.042 0.000 0.203 556 D C 0.694 176.499 176.300 -0.825 0.000 0.969 556 D CA 1.515 55.263 54.000 -0.420 0.000 0.842 556 D CB 0.052 40.499 40.800 -0.589 0.000 0.957 556 D HN 0.197 nan 8.370 nan 0.000 0.484 557 F N 0.458 120.341 119.950 -0.111 0.000 2.443 557 F HA 0.185 4.687 4.527 -0.042 0.000 0.369 557 F C 1.094 176.817 175.800 -0.129 0.000 1.090 557 F CA -0.593 57.328 58.000 -0.132 0.000 1.129 557 F CB 1.248 40.166 39.000 -0.138 0.000 1.367 557 F HN -0.354 nan 8.300 nan 0.000 0.465 558 V N -0.006 119.833 119.914 -0.125 0.000 2.453 558 V HA -0.194 3.901 4.120 -0.042 0.000 0.247 558 V C 1.310 177.290 176.094 -0.190 0.000 1.048 558 V CA 0.796 62.931 62.300 -0.275 0.000 1.049 558 V CB -0.529 31.008 31.823 -0.477 0.000 0.672 558 V HN 0.652 nan 8.190 nan 0.000 0.457 559 N N 1.396 120.039 118.700 -0.096 0.000 2.374 559 N HA -0.086 4.629 4.740 -0.042 0.000 0.269 559 N C 0.522 176.013 175.510 -0.032 0.000 1.310 559 N CA 0.742 53.759 53.050 -0.056 0.000 0.877 559 N CB -0.266 38.197 38.487 -0.041 0.000 1.096 559 N HN 0.501 nan 8.380 nan 0.000 0.484 560 Q N 0.083 119.864 119.800 -0.031 0.000 2.457 560 Q HA -0.306 4.009 4.340 -0.042 0.000 0.283 560 Q C -0.669 175.290 176.000 -0.067 0.000 1.234 560 Q CA 0.779 56.555 55.803 -0.044 0.000 0.877 560 Q CB -1.447 27.264 28.738 -0.045 0.000 1.250 560 Q HN 0.631 nan 8.270 nan 0.000 0.481 561 H N 0.120 119.110 119.070 -0.133 0.000 2.580 561 H HA 0.172 4.703 4.556 -0.042 0.000 0.322 561 H C 1.305 176.551 175.328 -0.136 0.000 1.082 561 H CA 0.712 56.684 56.048 -0.126 0.000 1.383 561 H CB 1.126 30.805 29.762 -0.137 0.000 1.450 561 H HN 0.316 nan 8.280 nan 0.000 0.505 562 S N 3.058 118.675 115.700 -0.139 0.000 2.374 562 S HA -0.001 4.444 4.470 -0.042 0.000 0.227 562 S C 1.009 175.619 174.600 0.016 0.000 1.037 562 S CA 0.700 58.858 58.200 -0.070 0.000 1.024 562 S CB -0.031 63.093 63.200 -0.126 0.000 0.861 562 S HN 0.987 nan 8.310 nan 0.000 0.456 563 G N -1.873 107.014 108.800 0.146 0.000 2.329 563 G HA2 0.511 4.447 3.960 -0.042 0.000 0.308 563 G HA3 0.511 4.447 3.960 -0.042 0.000 0.308 563 G C 0.330 175.232 174.900 0.003 0.000 1.587 563 G CA -0.094 45.027 45.100 0.034 0.000 0.978 563 G HN 1.451 nan 8.290 nan 0.000 0.685 564 G N -0.784 107.975 108.800 -0.068 0.000 2.168 564 G HA2 0.058 3.993 3.960 -0.042 0.000 0.257 564 G HA3 0.058 3.993 3.960 -0.042 0.000 0.257 564 G C 1.590 176.371 174.900 -0.199 0.000 0.997 564 G CA 1.620 46.652 45.100 -0.113 0.000 0.708 564 G HN 2.345 nan 8.290 nan 0.000 0.520 565 A N -0.734 121.914 122.820 -0.287 0.000 1.933 565 A HA 0.379 4.674 4.320 -0.042 0.000 0.218 565 A C 2.317 179.605 177.584 -0.493 0.000 1.175 565 A CA 2.324 54.102 52.037 -0.432 0.000 0.628 565 A CB -0.467 17.993 19.000 -0.900 0.000 0.814 565 A HN 1.636 nan 8.150 nan 0.000 0.444 566 G N -1.220 107.213 108.800 -0.612 0.000 2.992 566 G HA2 0.302 4.237 3.960 -0.042 0.000 0.201 566 G HA3 0.302 4.237 3.960 -0.042 0.000 0.201 566 G C 1.199 175.163 174.900 -1.561 0.000 2.057 566 G CA 0.199 44.678 45.100 -1.033 0.000 0.800 566 G HN 0.217 nan 8.290 nan 0.000 0.700 567 L N 1.480 121.923 121.223 -1.300 0.000 2.034 567 L HA -0.133 4.182 4.340 -0.042 0.000 0.217 567 L C 0.001 176.502 176.870 -0.614 0.000 1.077 567 L CA 1.835 56.022 54.840 -1.088 0.000 0.769 567 L CB -1.168 40.046 42.059 -1.408 0.000 0.890 567 L HN 0.256 nan 8.230 nan 0.000 0.435 568 P HA -0.146 nan 4.420 nan 0.000 0.218 568 P C 1.834 179.049 177.300 -0.141 0.000 1.148 568 P CA 1.396 64.409 63.100 -0.144 0.000 0.822 568 P CB 0.116 31.748 31.700 -0.114 0.000 0.784 569 S N -2.164 113.368 115.700 -0.280 0.000 2.362 569 S HA -0.122 4.323 4.470 -0.042 0.000 0.221 569 S C 1.713 176.305 174.600 -0.014 0.000 1.032 569 S CA 0.831 58.940 58.200 -0.153 0.000 0.973 569 S CB -0.867 62.225 63.200 -0.179 0.000 0.849 569 S HN -0.002 nan 8.310 nan 0.000 0.465 570 Y N 1.920 122.154 120.300 -0.110 0.000 2.097 570 Y HA -0.059 4.466 4.550 -0.041 0.000 0.282 570 Y C 2.356 178.239 175.900 -0.028 0.000 1.152 570 Y CA -0.016 58.033 58.100 -0.086 0.000 1.136 570 Y CB -1.191 37.183 38.460 -0.142 0.000 0.975 570 Y HN 0.220 nan 8.280 nan 0.000 0.498 571 I N 0.186 120.843 120.570 0.145 0.000 2.315 571 I HA -0.297 3.848 4.170 -0.042 0.000 0.251 571 I C 2.421 178.597 176.117 0.098 0.000 1.125 571 I CA 1.534 62.919 61.300 0.141 0.000 1.392 571 I CB -1.553 36.565 38.000 0.197 0.000 1.065 571 I HN 0.190 nan 8.210 nan 0.000 0.424 572 A N -0.066 122.796 122.820 0.071 0.000 2.125 572 A HA -0.210 4.085 4.320 -0.042 0.000 0.219 572 A C 2.158 179.773 177.584 0.051 0.000 1.156 572 A CA 1.047 53.114 52.037 0.051 0.000 0.671 572 A CB -0.515 18.503 19.000 0.031 0.000 0.794 572 A HN 0.531 nan 8.150 nan 0.000 0.459 573 Q N -1.376 118.462 119.800 0.064 0.000 2.224 573 Q HA -0.118 4.197 4.340 -0.042 0.000 0.203 573 Q C 0.115 176.145 176.000 0.049 0.000 0.970 573 Q CA 0.618 56.453 55.803 0.052 0.000 0.865 573 Q CB -0.035 28.735 28.738 0.054 0.000 0.922 573 Q HN 0.613 nan 8.270 nan 0.000 0.445 574 D N 0.529 120.964 120.400 0.058 0.000 2.697 574 D HA -0.159 4.456 4.640 -0.042 0.000 0.238 574 D C -0.993 175.337 176.300 0.051 0.000 1.152 574 D CA 0.581 54.613 54.000 0.054 0.000 0.666 574 D CB -0.621 40.204 40.800 0.041 0.000 1.037 574 D HN 0.198 nan 8.370 nan 0.000 0.423 575 R N 0.385 120.920 120.500 0.058 0.000 2.560 575 R HA 0.366 4.681 4.340 -0.042 0.000 0.270 575 R C 0.184 176.519 176.300 0.059 0.000 1.074 575 R CA -0.609 55.523 56.100 0.053 0.000 1.140 575 R CB 0.436 30.768 30.300 0.052 0.000 1.073 575 R HN 0.163 nan 8.270 nan 0.000 0.527 576 D N 1.883 122.314 120.400 0.052 0.000 2.371 576 D HA 0.031 4.646 4.640 -0.042 0.000 0.256 576 D C 0.573 176.913 176.300 0.066 0.000 1.193 576 D CA -0.062 53.971 54.000 0.054 0.000 0.881 576 D CB 0.536 41.364 40.800 0.045 0.000 1.143 576 D HN 0.547 nan 8.370 nan 0.000 0.473 577 I N -0.092 120.521 120.570 0.073 0.000 4.081 577 I HA 0.332 4.477 4.170 -0.042 0.000 0.333 577 I C 0.260 176.425 176.117 0.079 0.000 1.413 577 I CA -0.487 60.864 61.300 0.085 0.000 1.110 577 I CB 0.372 38.432 38.000 0.101 0.000 1.082 577 I HN 0.101 nan 8.210 nan 0.000 0.402 578 D N 3.038 123.479 120.400 0.067 0.000 2.453 578 D HA 0.330 4.945 4.640 -0.042 0.000 0.223 578 D C 1.074 177.409 176.300 0.058 0.000 1.183 578 D CA 0.566 54.603 54.000 0.062 0.000 0.933 578 D CB 0.412 41.244 40.800 0.052 0.000 1.038 578 D HN 0.538 nan 8.370 nan 0.000 0.513 579 G N 3.360 112.199 108.800 0.064 0.000 2.341 579 G HA2 -0.181 3.754 3.960 -0.042 0.000 0.278 579 G HA3 -0.181 3.754 3.960 -0.042 0.000 0.278 579 G C -0.107 174.834 174.900 0.068 0.000 1.111 579 G CA -0.269 44.868 45.100 0.062 0.000 0.982 579 G HN 0.495 nan 8.290 nan 0.000 0.502 580 Q N -0.766 119.083 119.800 0.081 0.000 2.683 580 Q HA 0.401 4.716 4.340 -0.042 0.000 0.302 580 Q C -0.973 175.094 176.000 0.112 0.000 1.042 580 Q CA -0.938 54.917 55.803 0.086 0.000 0.773 580 Q CB 1.095 29.880 28.738 0.079 0.000 1.508 580 Q HN 0.235 nan 8.270 nan 0.000 0.459 581 D N 1.878 122.341 120.400 0.105 0.000 2.344 581 D HA 0.292 4.907 4.640 -0.042 0.000 0.253 581 D C -0.378 176.005 176.300 0.139 0.000 1.255 581 D CA 0.073 54.141 54.000 0.113 0.000 0.894 581 D CB -0.322 40.449 40.800 -0.049 0.000 1.067 581 D HN 0.438 nan 8.370 nan 0.000 0.492 582 I N 0.032 120.693 120.570 0.151 0.000 3.067 582 I HA 0.691 4.836 4.170 -0.042 0.000 0.312 582 I C -0.992 175.196 176.117 0.117 0.000 1.073 582 I CA -1.112 60.276 61.300 0.146 0.000 1.016 582 I CB 2.212 40.289 38.000 0.129 0.000 1.227 582 I HN -0.084 nan 8.210 nan 0.000 0.456 583 V N 3.496 123.474 119.914 0.107 0.000 2.577 583 V HA 0.416 4.511 4.120 -0.042 0.000 0.303 583 V C -0.181 175.885 176.094 -0.047 0.000 1.042 583 V CA -0.669 61.602 62.300 -0.047 0.000 0.872 583 V CB 1.813 33.545 31.823 -0.151 0.000 0.998 583 V HN 0.564 nan 8.190 nan 0.000 0.423 584 V N 3.780 123.611 119.914 -0.138 0.000 2.427 584 V HA 0.464 4.559 4.120 -0.042 0.000 0.286 584 V C -1.103 174.932 176.094 -0.098 0.000 1.034 584 V CA -0.429 61.863 62.300 -0.014 0.000 0.893 584 V CB 1.612 33.425 31.823 -0.016 0.000 0.982 584 V HN 0.923 nan 8.190 nan 0.000 0.452 585 W N 4.073 125.420 121.300 0.079 0.000 2.336 585 W HA 0.486 5.120 4.660 -0.042 0.000 0.315 585 W C -0.181 176.435 176.519 0.162 0.000 1.016 585 W CA -0.640 56.757 57.345 0.086 0.000 1.318 585 W CB 0.507 30.001 29.460 0.056 0.000 1.247 585 W HN 0.587 nan 8.180 nan 0.000 0.414 586 H N 1.809 120.964 119.070 0.142 0.000 2.556 586 H HA 0.469 5.000 4.556 -0.041 0.000 0.310 586 H C -0.239 175.258 175.328 0.283 0.000 1.057 586 H CA -0.217 55.873 56.048 0.069 0.000 1.264 586 H CB 0.884 30.486 29.762 -0.266 0.000 1.404 586 H HN 0.165 nan 8.280 nan 0.000 0.462 587 T N 7.324 121.891 114.554 0.021 0.000 2.817 587 T HA 0.399 4.724 4.350 -0.042 0.000 0.293 587 T C -0.914 173.680 174.700 -0.177 0.000 0.964 587 T CA -0.166 61.956 62.100 0.036 0.000 1.085 587 T CB -0.343 68.643 68.868 0.196 0.000 0.921 587 T HN 0.506 nan 8.240 nan 0.000 0.502 588 F N 0.007 119.844 119.950 -0.188 0.000 2.615 588 F HA 0.827 5.329 4.527 -0.041 0.000 0.312 588 F C -0.268 175.610 175.800 0.130 0.000 1.119 588 F CA -1.089 56.850 58.000 -0.101 0.000 0.979 588 F CB 1.050 39.949 39.000 -0.168 0.000 1.266 588 F HN 0.780 nan 8.300 nan 0.000 0.444 589 G N 2.008 110.903 108.800 0.158 0.000 2.600 589 G HA2 0.619 4.554 3.960 -0.042 0.000 0.293 589 G HA3 0.619 4.554 3.960 -0.042 0.000 0.293 589 G C -2.405 172.564 174.900 0.114 0.000 1.408 589 G CA -1.168 44.019 45.100 0.146 0.000 0.782 589 G HN 0.825 nan 8.290 nan 0.000 0.482 590 L N 0.306 121.560 121.223 0.051 0.000 2.325 590 L HA 0.614 4.929 4.340 -0.042 0.000 0.278 590 L C -0.124 176.600 176.870 -0.243 0.000 1.023 590 L CA -0.679 54.116 54.840 -0.075 0.000 0.811 590 L CB 2.362 44.308 42.059 -0.189 0.000 1.249 590 L HN 0.409 nan 8.230 nan 0.000 0.431 591 T N 0.718 115.143 114.554 -0.214 0.000 2.772 591 T HA 0.372 4.697 4.350 -0.042 0.000 0.288 591 T C -0.642 173.824 174.700 -0.391 0.000 0.994 591 T CA -0.444 61.431 62.100 -0.375 0.000 0.951 591 T CB 0.192 68.865 68.868 -0.325 0.000 0.933 591 T HN 0.416 nan 8.240 nan 0.000 0.447 592 H N 2.167 120.792 119.070 -0.741 0.000 2.476 592 H HA 0.368 4.898 4.556 -0.042 0.000 0.328 592 H C -0.942 173.887 175.328 -0.833 0.000 1.073 592 H CA -0.902 54.722 56.048 -0.706 0.000 1.229 592 H CB 0.952 30.311 29.762 -0.672 0.000 1.432 592 H HN 0.453 nan 8.280 nan 0.000 0.477 593 F N 3.736 123.549 119.950 -0.228 0.000 2.453 593 F HA 0.260 4.761 4.527 -0.043 0.000 0.358 593 F C -2.143 173.621 175.800 -0.060 0.000 1.129 593 F CA -2.681 55.096 58.000 -0.372 0.000 1.200 593 F CB 0.569 39.212 39.000 -0.596 0.000 1.431 593 F HN 0.393 nan 8.300 nan 0.000 0.503 594 P HA 0.051 nan 4.420 nan 0.000 0.263 594 P C -0.237 177.157 177.300 0.155 0.000 1.175 594 P CA 0.257 63.458 63.100 0.169 0.000 0.761 594 P CB 0.648 32.510 31.700 0.269 0.000 0.794 595 R N 1.514 122.070 120.500 0.095 0.000 2.782 595 R HA 0.361 4.676 4.340 -0.042 0.000 0.258 595 R C 1.228 177.581 176.300 0.090 0.000 1.055 595 R CA -1.027 55.118 56.100 0.076 0.000 1.065 595 R CB 0.330 30.657 30.300 0.045 0.000 1.172 595 R HN 0.077 nan 8.270 nan 0.000 0.510 596 V N 1.174 121.129 119.914 0.067 0.000 2.469 596 V HA -0.236 3.859 4.120 -0.042 0.000 0.251 596 V C 1.446 177.616 176.094 0.127 0.000 1.064 596 V CA 1.898 64.254 62.300 0.093 0.000 1.066 596 V CB -0.594 31.261 31.823 0.052 0.000 0.667 596 V HN 0.692 nan 8.190 nan 0.000 0.461 597 E N -0.020 120.228 120.200 0.080 0.000 2.338 597 E HA -0.154 4.171 4.350 -0.042 0.000 0.197 597 E C 1.653 178.290 176.600 0.062 0.000 1.007 597 E CA 0.864 57.300 56.400 0.059 0.000 0.849 597 E CB -0.235 29.482 29.700 0.028 0.000 0.774 597 E HN 0.585 nan 8.360 nan 0.000 0.506 598 D N -0.975 119.483 120.400 0.097 0.000 2.355 598 D HA -0.063 4.552 4.640 -0.042 0.000 0.218 598 D C -0.255 176.155 176.300 0.183 0.000 1.004 598 D CA 0.271 54.331 54.000 0.099 0.000 0.880 598 D CB 0.137 40.997 40.800 0.101 0.000 0.911 598 D HN 0.217 nan 8.370 nan 0.000 0.528 599 W N 2.288 123.594 121.300 0.011 0.000 2.606 599 W HA 0.202 4.836 4.660 -0.044 0.000 0.332 599 W C -1.875 174.667 176.519 0.038 0.000 1.052 599 W CA -1.984 55.379 57.345 0.030 0.000 1.223 599 W CB 2.123 31.604 29.460 0.035 0.000 1.383 599 W HN -0.196 nan 8.180 nan 0.000 0.524 600 P HA 0.068 nan 4.420 nan 0.000 0.227 600 P C 0.088 176.951 177.300 -0.730 0.000 1.161 600 P CA 0.897 63.136 63.100 -1.436 0.000 0.788 600 P CB 1.491 32.636 31.700 -0.925 0.000 0.822 601 I N 0.562 120.882 120.570 -0.417 0.000 2.582 601 I HA 0.292 4.438 4.170 -0.042 0.000 0.292 601 I C -0.295 175.682 176.117 -0.234 0.000 1.066 601 I CA -1.909 59.140 61.300 -0.418 0.000 1.053 601 I CB 2.288 39.801 38.000 -0.811 0.000 1.241 601 I HN -0.261 nan 8.210 nan 0.000 0.421 602 M N 8.633 128.137 119.600 -0.159 0.000 2.216 602 M HA 0.578 5.033 4.480 -0.042 0.000 0.356 602 M C -2.629 173.621 176.300 -0.083 0.000 1.205 602 M CA -1.501 53.750 55.300 -0.081 0.000 1.122 602 M CB 0.758 33.343 32.600 -0.026 0.000 1.571 602 M HN 0.232 nan 8.290 nan 0.000 0.464 603 P HA 0.175 nan 4.420 nan 0.000 0.277 603 P C -0.430 176.861 177.300 -0.015 0.000 1.240 603 P CA -0.432 62.643 63.100 -0.042 0.000 0.798 603 P CB 0.950 32.630 31.700 -0.032 0.000 0.979 604 V N 2.570 122.488 119.914 0.008 0.000 2.617 604 V HA -0.053 4.042 4.120 -0.042 0.000 0.304 604 V C 0.780 176.895 176.094 0.036 0.000 1.040 604 V CA 1.055 63.380 62.300 0.041 0.000 1.149 604 V CB -0.347 31.514 31.823 0.064 0.000 0.914 604 V HN 0.632 nan 8.190 nan 0.000 0.487 605 D N 2.850 123.287 120.400 0.063 0.000 2.350 605 D HA 0.607 5.222 4.640 -0.042 0.000 0.245 605 D C -0.158 176.190 176.300 0.080 0.000 1.036 605 D CA -0.238 53.814 54.000 0.088 0.000 0.848 605 D CB 2.078 42.982 40.800 0.174 0.000 1.307 605 D HN 0.724 nan 8.370 nan 0.000 0.469 606 T N -0.637 113.952 114.554 0.060 0.000 2.924 606 T HA 0.786 5.111 4.350 -0.042 0.000 0.291 606 T C -0.704 174.030 174.700 0.057 0.000 1.045 606 T CA -0.790 61.318 62.100 0.014 0.000 1.015 606 T CB 1.611 70.463 68.868 -0.027 0.000 1.103 606 T HN 0.228 nan 8.240 nan 0.000 0.496 607 V N -0.040 119.870 119.914 -0.008 0.000 3.204 607 V HA 0.864 4.959 4.120 -0.042 0.000 0.298 607 V C -0.167 175.828 176.094 -0.166 0.000 1.328 607 V CA 0.508 62.843 62.300 0.058 0.000 1.035 607 V CB 1.763 33.675 31.823 0.148 0.000 1.095 607 V HN 1.653 nan 8.190 nan 0.000 0.442 608 G N 2.556 111.079 108.800 -0.462 0.000 2.393 608 G HA2 0.694 4.629 3.960 -0.042 0.000 0.264 608 G HA3 0.694 4.629 3.960 -0.042 0.000 0.264 608 G C -1.497 172.786 174.900 -1.029 0.000 1.221 608 G CA 0.238 44.873 45.100 -0.774 0.000 0.912 608 G HN 1.941 nan 8.290 nan 0.000 0.483 609 F N -1.085 118.471 119.950 -0.657 0.000 2.858 609 F HA 0.858 5.360 4.527 -0.042 0.000 0.319 609 F C -1.069 174.702 175.800 -0.048 0.000 1.166 609 F CA -0.938 56.880 58.000 -0.304 0.000 0.899 609 F CB 1.453 40.294 39.000 -0.264 0.000 1.332 609 F HN 0.846 nan 8.300 nan 0.000 0.461 610 K N 0.857 121.408 120.400 0.251 0.000 2.555 610 K HA 0.836 5.131 4.320 -0.042 0.000 0.279 610 K C -2.478 174.356 176.600 0.390 0.000 0.986 610 K CA -1.037 55.380 56.287 0.217 0.000 0.880 610 K CB 2.626 35.224 32.500 0.164 0.000 1.474 610 K HN 0.735 nan 8.250 nan 0.000 0.433 611 L N 1.388 122.840 121.223 0.381 0.000 2.385 611 L HA 0.569 4.884 4.340 -0.042 0.000 0.273 611 L C -0.626 176.501 176.870 0.428 0.000 0.990 611 L CA -0.519 54.569 54.840 0.414 0.000 0.821 611 L CB 2.083 44.414 42.059 0.452 0.000 1.279 611 L HN 0.579 nan 8.230 nan 0.000 0.412 612 R N 3.259 123.926 120.500 0.279 0.000 2.670 612 R HA 0.539 4.854 4.340 -0.042 0.000 0.289 612 R C -2.556 173.493 176.300 -0.418 0.000 0.965 612 R CA -1.913 54.224 56.100 0.062 0.000 0.899 612 R CB 1.782 32.169 30.300 0.144 0.000 1.173 612 R HN 0.307 nan 8.270 nan 0.000 0.456 613 P HA -0.066 nan 4.420 nan 0.000 0.265 613 P C -0.716 176.378 177.300 -0.344 0.000 1.193 613 P CA 0.280 62.773 63.100 -1.011 0.000 0.765 613 P CB 0.763 32.252 31.700 -0.351 0.000 0.823 614 E N 2.301 122.362 120.200 -0.231 0.000 2.873 614 E HA 0.434 4.759 4.350 -0.042 0.000 0.232 614 E C 0.730 177.334 176.600 0.006 0.000 1.123 614 E CA -0.376 55.989 56.400 -0.057 0.000 0.809 614 E CB -0.642 29.039 29.700 -0.031 0.000 1.366 614 E HN 0.670 nan 8.360 nan 0.000 0.400 615 G N 3.090 111.905 108.800 0.026 0.000 2.160 615 G HA2 -0.361 3.574 3.960 -0.042 0.000 0.251 615 G HA3 -0.361 3.574 3.960 -0.042 0.000 0.251 615 G C 0.513 175.423 174.900 0.017 0.000 1.008 615 G CA 0.371 45.488 45.100 0.028 0.000 0.724 615 G HN 0.529 nan 8.290 nan 0.000 0.514 616 F N 0.169 120.019 119.950 -0.167 0.000 2.187 616 F HA 0.455 4.957 4.527 -0.041 0.000 0.295 616 F C 1.342 176.884 175.800 -0.431 0.000 1.091 616 F CA 0.592 58.393 58.000 -0.330 0.000 1.308 616 F CB 0.018 38.716 39.000 -0.502 0.000 1.030 616 F HN 0.124 nan 8.300 nan 0.000 0.487 617 F N 0.372 120.330 119.950 0.013 0.000 2.411 617 F HA 0.224 4.726 4.527 -0.042 0.000 0.324 617 F C 1.394 177.153 175.800 -0.069 0.000 1.086 617 F CA -0.759 57.203 58.000 -0.062 0.000 1.028 617 F CB 0.317 39.300 39.000 -0.028 0.000 1.284 617 F HN -0.269 nan 8.300 nan 0.000 0.501 618 D N 0.025 120.511 120.400 0.143 0.000 2.349 618 D HA 0.069 4.684 4.640 -0.042 0.000 0.215 618 D C 0.341 176.673 176.300 0.054 0.000 1.016 618 D CA 0.592 54.625 54.000 0.056 0.000 0.870 618 D CB 0.273 41.089 40.800 0.027 0.000 0.917 618 D HN 0.521 nan 8.370 nan 0.000 0.524 619 R N -2.067 118.480 120.500 0.078 0.000 2.832 619 R HA 0.214 4.529 4.340 -0.042 0.000 0.283 619 R C -0.754 175.548 176.300 0.005 0.000 0.998 619 R CA -0.756 55.362 56.100 0.030 0.000 0.843 619 R CB 0.363 30.667 30.300 0.007 0.000 1.332 619 R HN -0.164 nan 8.270 nan 0.000 0.490 620 S N 1.028 116.706 115.700 -0.038 0.000 2.563 620 S HA 0.096 4.541 4.470 -0.042 0.000 0.294 620 S C -1.259 173.235 174.600 -0.177 0.000 1.279 620 S CA -0.753 57.388 58.200 -0.099 0.000 1.069 620 S CB 0.451 63.616 63.200 -0.059 0.000 0.828 620 S HN 0.520 nan 8.310 nan 0.000 0.497 621 P HA 0.107 nan 4.420 nan 0.000 0.255 621 P C 0.515 177.710 177.300 -0.175 0.000 1.248 621 P CA 0.216 63.046 63.100 -0.450 0.000 0.807 621 P CB -0.167 30.783 31.700 -1.250 0.000 1.150 622 V N -3.790 116.064 119.914 -0.101 0.000 3.043 622 V HA 0.232 4.327 4.120 -0.042 0.000 0.357 622 V C 1.601 177.716 176.094 0.035 0.000 1.372 622 V CA -0.110 62.184 62.300 -0.010 0.000 1.214 622 V CB -0.796 31.044 31.823 0.027 0.000 1.224 622 V HN -0.117 nan 8.190 nan 0.000 0.507 623 L N 1.173 122.407 121.223 0.019 0.000 2.395 623 L HA 0.034 4.349 4.340 -0.042 0.000 0.218 623 L C 2.084 178.992 176.870 0.064 0.000 1.130 623 L CA 1.347 56.219 54.840 0.054 0.000 0.826 623 L CB -0.275 41.794 42.059 0.016 0.000 0.941 623 L HN 0.545 nan 8.230 nan 0.000 0.451 624 D N 0.172 120.591 120.400 0.032 0.000 2.339 624 D HA -0.020 4.595 4.640 -0.042 0.000 0.217 624 D C 0.749 177.058 176.300 0.014 0.000 1.050 624 D CA -0.002 54.012 54.000 0.022 0.000 0.856 624 D CB -0.508 40.294 40.800 0.003 0.000 0.922 624 D HN 0.137 nan 8.370 nan 0.000 0.518 625 V N -0.794 119.134 119.914 0.022 0.000 2.555 625 V HA 0.408 4.503 4.120 -0.042 0.000 0.286 625 V C -2.175 173.921 176.094 0.004 0.000 1.044 625 V CA -1.315 60.988 62.300 0.004 0.000 1.026 625 V CB 0.765 32.594 31.823 0.010 0.000 0.981 625 V HN -0.068 nan 8.190 nan 0.000 0.480 626 P HA 0.441 nan 4.420 nan 0.000 0.284 626 P C 0.330 177.601 177.300 -0.048 0.000 1.292 626 P CA -0.286 62.803 63.100 -0.018 0.000 0.800 626 P CB 1.920 33.613 31.700 -0.011 0.000 1.188 627 A N -0.554 122.233 122.820 -0.055 0.000 2.169 627 A HA 0.083 4.378 4.320 -0.042 0.000 0.212 627 A C 0.605 178.166 177.584 -0.040 0.000 1.153 627 A CA 0.622 52.615 52.037 -0.073 0.000 0.756 627 A CB -0.924 18.032 19.000 -0.072 0.000 0.813 627 A HN 0.665 nan 8.150 nan 0.000 0.471 628 N N 0.000 118.686 118.700 -0.024 0.000 1.763 628 N HA 0.000 4.715 4.740 -0.042 0.000 0.220 628 N CA 0.000 53.044 53.050 -0.011 0.000 0.885 628 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667