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 1iu7_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 0.000 177.585 177.584 0.001 0.000 1.274 9 A CA 0.000 52.040 52.037 0.005 0.000 0.836 9 A CB 0.000 19.009 19.000 0.015 0.000 0.831 10 S N 2.068 117.779 115.700 0.019 0.000 2.549 10 S HA 0.431 4.876 4.470 -0.041 0.000 0.279 10 S C -1.348 173.242 174.600 -0.016 0.000 1.321 10 S CA -0.550 57.674 58.200 0.040 0.000 1.054 10 S CB 0.924 64.188 63.200 0.107 0.000 0.899 10 S HN 0.380 nan 8.310 nan 0.000 0.497 11 P HA 0.052 nan 4.420 nan 0.000 0.242 11 P C 0.215 177.193 177.300 -0.537 0.000 1.197 11 P CA 0.673 63.582 63.100 -0.318 0.000 0.765 11 P CB -0.110 31.340 31.700 -0.415 0.000 0.936 12 F N 0.402 120.285 119.950 -0.111 0.000 2.653 12 F HA 0.213 4.715 4.527 -0.041 0.000 0.304 12 F C 1.587 177.325 175.800 -0.103 0.000 1.092 12 F CA -0.769 57.119 58.000 -0.186 0.000 1.279 12 F CB -0.146 38.732 39.000 -0.204 0.000 1.044 12 F HN -0.171 nan 8.300 nan 0.000 0.564 13 R N 1.024 121.557 120.500 0.054 0.000 2.784 13 R HA 0.190 4.506 4.340 -0.041 0.000 0.266 13 R C -0.188 176.137 176.300 0.041 0.000 1.044 13 R CA -0.356 55.782 56.100 0.064 0.000 1.151 13 R CB 0.412 30.739 30.300 0.045 0.000 1.037 13 R HN 0.165 nan 8.270 nan 0.000 0.478 14 L N 1.667 122.928 121.223 0.063 0.000 2.467 14 L HA 0.172 4.487 4.340 -0.041 0.000 0.270 14 L C 0.767 177.675 176.870 0.065 0.000 1.205 14 L CA -0.231 54.648 54.840 0.064 0.000 0.828 14 L CB 0.610 42.710 42.059 0.068 0.000 1.101 14 L HN 0.869 nan 8.230 nan 0.000 0.479 15 A N 2.472 125.343 122.820 0.085 0.000 2.511 15 A HA 0.233 4.529 4.320 -0.041 0.000 0.242 15 A C 0.255 177.914 177.584 0.125 0.000 1.069 15 A CA 0.086 52.227 52.037 0.173 0.000 0.763 15 A CB 0.394 19.561 19.000 0.277 0.000 1.001 15 A HN 0.637 nan 8.150 nan 0.000 0.498 16 S N 0.819 116.592 115.700 0.121 0.000 2.654 16 S HA 0.514 4.960 4.470 -0.041 0.000 0.283 16 S C 1.424 176.039 174.600 0.024 0.000 1.180 16 S CA -0.059 58.175 58.200 0.057 0.000 1.021 16 S CB 1.169 64.396 63.200 0.044 0.000 1.018 16 S HN 1.367 nan 8.310 nan 0.000 0.532 17 A N 3.577 126.400 122.820 0.005 0.000 1.908 17 A HA 0.019 4.315 4.320 -0.041 0.000 0.218 17 A C 2.099 179.661 177.584 -0.036 0.000 1.181 17 A CA 2.169 54.197 52.037 -0.014 0.000 0.627 17 A CB -1.592 17.402 19.000 -0.011 0.000 0.818 17 A HN 1.018 nan 8.150 nan 0.000 0.445 18 G N -0.556 108.226 108.800 -0.030 0.000 2.422 18 G HA2 -0.207 3.728 3.960 -0.041 0.000 0.218 18 G HA3 -0.207 3.728 3.960 -0.041 0.000 0.218 18 G C 1.409 176.257 174.900 -0.086 0.000 1.146 18 G CA 0.981 46.054 45.100 -0.046 0.000 0.769 18 G HN 0.683 nan 8.290 nan 0.000 0.547 19 E N -0.041 120.103 120.200 -0.094 0.000 2.106 19 E HA -0.021 4.304 4.350 -0.041 0.000 0.192 19 E C 2.458 178.808 176.600 -0.416 0.000 0.984 19 E CA 0.414 56.688 56.400 -0.210 0.000 0.806 19 E CB -0.094 29.553 29.700 -0.088 0.000 0.750 19 E HN 0.482 nan 8.360 nan 0.000 0.458 20 I N 0.865 121.260 120.570 -0.292 0.000 2.252 20 I HA -0.231 3.915 4.170 -0.041 0.000 0.245 20 I C 2.330 178.323 176.117 -0.206 0.000 1.102 20 I CA 0.757 61.885 61.300 -0.286 0.000 1.385 20 I CB -0.138 37.782 38.000 -0.134 0.000 1.064 20 I HN -0.002 nan 8.210 nan 0.000 0.414 21 S N 0.287 115.906 115.700 -0.136 0.000 2.368 21 S HA -0.242 4.203 4.470 -0.041 0.000 0.225 21 S C 1.893 176.427 174.600 -0.110 0.000 1.030 21 S CA 1.599 59.743 58.200 -0.094 0.000 0.999 21 S CB -0.261 62.902 63.200 -0.063 0.000 0.844 21 S HN 0.409 nan 8.310 nan 0.000 0.459 22 E N 1.236 121.351 120.200 -0.142 0.000 2.110 22 E HA -0.097 4.229 4.350 -0.041 0.000 0.193 22 E C 1.837 178.342 176.600 -0.159 0.000 0.988 22 E CA 0.981 57.300 56.400 -0.134 0.000 0.804 22 E CB -0.303 29.316 29.700 -0.135 0.000 0.745 22 E HN 0.249 nan 8.360 nan 0.000 0.458 23 V N 0.881 120.643 119.914 -0.254 0.000 2.343 23 V HA -0.284 3.812 4.120 -0.041 0.000 0.247 23 V C 2.582 178.601 176.094 -0.125 0.000 1.051 23 V CA 2.243 64.401 62.300 -0.235 0.000 1.036 23 V CB -0.655 30.949 31.823 -0.366 0.000 0.654 23 V HN 0.427 nan 8.190 nan 0.000 0.451 24 Q N 0.006 119.740 119.800 -0.110 0.000 2.061 24 Q HA -0.181 4.135 4.340 -0.041 0.000 0.204 24 Q C 2.245 178.222 176.000 -0.038 0.000 0.984 24 Q CA 2.165 57.936 55.803 -0.053 0.000 0.846 24 Q CB -0.503 28.212 28.738 -0.038 0.000 0.902 24 Q HN 0.651 nan 8.270 nan 0.000 0.421 25 G N 1.265 110.036 108.800 -0.049 0.000 2.480 25 G HA2 -0.270 3.666 3.960 -0.041 0.000 0.216 25 G HA3 -0.270 3.666 3.960 -0.041 0.000 0.216 25 G C 1.426 176.308 174.900 -0.030 0.000 1.200 25 G CA 1.131 46.209 45.100 -0.036 0.000 0.782 25 G HN 0.402 nan 8.290 nan 0.000 0.554 26 I N 0.599 121.145 120.570 -0.040 0.000 2.185 26 I HA -0.238 3.908 4.170 -0.041 0.000 0.246 26 I C 2.765 178.873 176.117 -0.014 0.000 1.088 26 I CA 0.925 62.209 61.300 -0.027 0.000 1.347 26 I CB -0.296 37.684 38.000 -0.034 0.000 1.041 26 I HN 0.141 nan 8.210 nan 0.000 0.415 27 L N -0.127 121.087 121.223 -0.014 0.000 2.093 27 L HA -0.182 4.134 4.340 -0.041 0.000 0.208 27 L C 2.789 179.661 176.870 0.004 0.000 1.085 27 L CA 1.301 56.142 54.840 0.002 0.000 0.755 27 L CB -0.525 41.539 42.059 0.009 0.000 0.904 27 L HN 0.174 nan 8.230 nan 0.000 0.435 28 R N -0.464 120.035 120.500 -0.002 0.000 2.064 28 R HA -0.110 4.206 4.340 -0.041 0.000 0.228 28 R C 2.268 178.566 176.300 -0.004 0.000 1.144 28 R CA 1.957 58.057 56.100 -0.001 0.000 0.932 28 R CB -0.776 29.521 30.300 -0.005 0.000 0.833 28 R HN 0.232 nan 8.270 nan 0.000 0.429 29 T N 0.786 115.336 114.554 -0.008 0.000 2.822 29 T HA -0.169 4.156 4.350 -0.041 0.000 0.270 29 T C 1.587 176.285 174.700 -0.004 0.000 1.064 29 T CA 1.439 63.535 62.100 -0.007 0.000 1.131 29 T CB -0.136 68.726 68.868 -0.010 0.000 0.858 29 T HN 0.381 nan 8.240 nan 0.000 0.483 30 A N 0.100 122.919 122.820 -0.001 0.000 2.275 30 A HA 0.551 4.847 4.320 -0.041 0.000 0.212 30 A C 1.929 179.516 177.584 0.004 0.000 1.201 30 A CA 0.696 52.735 52.037 0.003 0.000 0.843 30 A CB -0.514 18.489 19.000 0.006 0.000 0.873 30 A HN 0.693 nan 8.150 nan 0.000 0.492 31 G N -1.071 107.731 108.800 0.003 0.000 2.143 31 G HA2 -0.259 3.677 3.960 -0.041 0.000 0.248 31 G HA3 -0.259 3.677 3.960 -0.041 0.000 0.248 31 G C 0.682 175.587 174.900 0.007 0.000 0.991 31 G CA 0.604 45.707 45.100 0.004 0.000 0.689 31 G HN 0.458 nan 8.290 nan 0.000 0.522 32 L N -1.322 119.909 121.223 0.013 0.000 2.463 32 L HA 0.399 4.715 4.340 -0.041 0.000 0.219 32 L C 1.316 178.201 176.870 0.026 0.000 1.088 32 L CA 0.173 55.025 54.840 0.020 0.000 0.849 32 L CB 0.260 42.336 42.059 0.028 0.000 1.012 32 L HN 0.213 nan 8.230 nan 0.000 0.468 33 L N 1.217 122.455 121.223 0.025 0.000 2.494 33 L HA 0.463 4.778 4.340 -0.041 0.000 0.251 33 L C 0.548 177.438 176.870 0.033 0.000 1.119 33 L CA -0.178 54.684 54.840 0.037 0.000 1.026 33 L CB 0.121 42.203 42.059 0.037 0.000 1.370 33 L HN -0.091 nan 8.230 nan 0.000 0.426 34 G N 2.122 110.940 108.800 0.029 0.000 2.547 34 G HA2 0.388 4.323 3.960 -0.041 0.000 0.291 34 G HA3 0.388 4.323 3.960 -0.041 0.000 0.291 34 G C -1.835 173.084 174.900 0.031 0.000 1.211 34 G CA -1.047 44.064 45.100 0.019 0.000 0.950 34 G HN 0.409 nan 8.290 nan 0.000 0.504 35 P HA -0.037 nan 4.420 nan 0.000 0.221 35 P C 1.192 178.515 177.300 0.038 0.000 1.145 35 P CA 0.939 64.041 63.100 0.003 0.000 0.795 35 P CB 0.388 32.074 31.700 -0.024 0.000 0.775 36 E N -1.191 119.029 120.200 0.033 0.000 2.481 36 E HA 0.074 4.399 4.350 -0.041 0.000 0.198 36 E C 0.194 176.815 176.600 0.035 0.000 1.027 36 E CA 0.379 56.798 56.400 0.032 0.000 0.900 36 E CB 0.229 29.927 29.700 -0.003 0.000 0.993 36 E HN 0.277 nan 8.360 nan 0.000 0.482 37 K N 1.512 121.950 120.400 0.063 0.000 2.130 37 K HA 0.366 4.661 4.320 -0.041 0.000 0.268 37 K C 0.327 177.008 176.600 0.136 0.000 0.983 37 K CA -0.520 55.807 56.287 0.066 0.000 0.893 37 K CB 1.555 34.089 32.500 0.058 0.000 1.066 37 K HN -0.172 nan 8.250 nan 0.000 0.450 38 R N 1.815 122.391 120.500 0.127 0.000 2.686 38 R HA 0.450 4.765 4.340 -0.041 0.000 0.286 38 R C -0.168 176.182 176.300 0.083 0.000 0.969 38 R CA -0.997 55.163 56.100 0.099 0.000 0.898 38 R CB 1.255 31.632 30.300 0.128 0.000 1.183 38 R HN 0.457 nan 8.270 nan 0.000 0.456 39 I N 2.646 123.217 120.570 0.003 0.000 2.308 39 I HA 0.129 4.275 4.170 -0.041 0.000 0.293 39 I C 1.322 177.447 176.117 0.014 0.000 1.078 39 I CA 0.040 61.351 61.300 0.018 0.000 1.292 39 I CB 0.581 38.558 38.000 -0.038 0.000 1.423 39 I HN 0.707 nan 8.210 nan 0.000 0.493 40 A N 6.764 129.653 122.820 0.116 0.000 2.132 40 A HA 0.020 4.316 4.320 -0.041 0.000 0.213 40 A C 0.412 178.105 177.584 0.182 0.000 1.154 40 A CA 0.631 52.745 52.037 0.128 0.000 0.753 40 A CB 0.163 19.280 19.000 0.196 0.000 0.826 40 A HN 0.659 nan 8.150 nan 0.000 0.469 41 Y N -2.025 118.282 120.300 0.012 0.000 2.465 41 Y HA 0.528 5.053 4.550 -0.041 0.000 0.323 41 Y C -1.923 173.871 175.900 -0.176 0.000 1.191 41 Y CA -1.109 56.905 58.100 -0.143 0.000 1.082 41 Y CB 0.909 39.163 38.460 -0.344 0.000 1.334 41 Y HN 0.174 nan 8.280 nan 0.000 0.449 42 L N 5.487 126.022 121.223 -1.146 0.000 2.493 42 L HA 1.016 5.332 4.340 -0.041 0.000 0.265 42 L C -1.212 175.124 176.870 -0.891 0.000 0.954 42 L CA -0.234 54.143 54.840 -0.772 0.000 0.844 42 L CB 2.236 44.125 42.059 -0.284 0.000 1.302 42 L HN 0.977 nan 8.230 nan 0.000 0.405 43 G N 2.761 111.244 108.800 -0.528 0.000 2.667 43 G HA2 0.434 4.370 3.960 -0.041 0.000 0.294 43 G HA3 0.434 4.370 3.960 -0.041 0.000 0.294 43 G C -1.922 172.822 174.900 -0.261 0.000 1.467 43 G CA -0.525 44.402 45.100 -0.288 0.000 0.852 43 G HN 0.528 nan 8.290 nan 0.000 0.521 44 V N 1.642 121.233 119.914 -0.538 0.000 2.811 44 V HA 0.483 4.579 4.120 -0.041 0.000 0.302 44 V C 0.339 176.175 176.094 -0.429 0.000 1.063 44 V CA -0.291 61.430 62.300 -0.965 0.000 1.088 44 V CB 0.774 31.951 31.823 -1.078 0.000 0.982 44 V HN 0.562 nan 8.190 nan 0.000 0.485 45 L N 5.247 126.248 121.223 -0.371 0.000 2.334 45 L HA 0.453 4.768 4.340 -0.041 0.000 0.277 45 L C 0.012 176.755 176.870 -0.212 0.000 1.075 45 L CA -0.743 53.981 54.840 -0.192 0.000 0.804 45 L CB 1.113 43.099 42.059 -0.121 0.000 1.174 45 L HN 0.592 nan 8.230 nan 0.000 0.438 46 D N 2.482 122.801 120.400 -0.135 0.000 2.362 46 D HA 0.220 4.835 4.640 -0.041 0.000 0.242 46 D C -2.007 174.181 176.300 -0.186 0.000 1.132 46 D CA -0.912 52.992 54.000 -0.160 0.000 0.907 46 D CB 0.498 41.313 40.800 0.026 0.000 1.195 46 D HN 0.242 nan 8.370 nan 0.000 0.429 47 P HA 0.132 nan 4.420 nan 0.000 0.268 47 P C -0.762 176.485 177.300 -0.089 0.000 1.208 47 P CA -0.090 62.858 63.100 -0.252 0.000 0.777 47 P CB 0.489 31.947 31.700 -0.403 0.000 0.875 48 A N 2.806 125.590 122.820 -0.060 0.000 2.313 48 A HA 0.292 4.588 4.320 -0.041 0.000 0.261 48 A C 0.284 177.860 177.584 -0.013 0.000 1.090 48 A CA -0.410 51.617 52.037 -0.017 0.000 0.807 48 A CB 0.196 19.186 19.000 -0.016 0.000 1.055 48 A HN 0.377 nan 8.150 nan 0.000 0.492 49 R N 0.311 120.797 120.500 -0.024 0.000 2.446 49 R HA 0.344 4.660 4.340 -0.041 0.000 0.325 49 R C 0.156 176.444 176.300 -0.020 0.000 0.997 49 R CA 0.793 56.851 56.100 -0.070 0.000 1.010 49 R CB -0.434 29.776 30.300 -0.149 0.000 0.946 49 R HN 1.014 nan 8.270 nan 0.000 0.422 50 G N 0.889 109.698 108.800 0.015 0.000 1.985 50 G HA2 0.313 4.248 3.960 -0.041 0.000 0.303 50 G HA3 0.313 4.248 3.960 -0.041 0.000 0.303 50 G C 0.650 175.583 174.900 0.056 0.000 1.730 50 G CA -0.083 45.034 45.100 0.028 0.000 1.057 50 G HN 0.494 nan 8.290 nan 0.000 0.515 51 A N 1.218 124.080 122.820 0.071 0.000 1.916 51 A HA 0.061 4.356 4.320 -0.041 0.000 0.224 51 A C 1.951 179.574 177.584 0.064 0.000 1.366 51 A CA 2.700 54.785 52.037 0.080 0.000 0.692 51 A CB -0.403 18.634 19.000 0.062 0.000 0.841 51 A HN 1.979 nan 8.150 nan 0.000 0.480 52 G N -1.234 107.592 108.800 0.044 0.000 5.001 52 G HA2 0.407 4.342 3.960 -0.041 0.000 0.304 52 G HA3 0.407 4.342 3.960 -0.041 0.000 0.304 52 G C -0.053 174.861 174.900 0.023 0.000 1.400 52 G CA 0.688 45.808 45.100 0.035 0.000 1.029 52 G HN 0.434 nan 8.290 nan 0.000 0.584 53 S N 0.408 116.123 115.700 0.024 0.000 2.858 53 S HA 0.020 4.465 4.470 -0.041 0.000 0.328 53 S C 1.586 176.182 174.600 -0.006 0.000 1.149 53 S CA -0.123 58.079 58.200 0.004 0.000 1.421 53 S CB 0.312 63.507 63.200 -0.008 0.000 1.461 53 S HN 0.629 nan 8.310 nan 0.000 0.587 54 E N 4.967 125.165 120.200 -0.003 0.000 2.001 54 E HA 0.045 4.371 4.350 -0.041 0.000 0.195 54 E C 0.869 177.460 176.600 -0.015 0.000 1.002 54 E CA 1.305 57.702 56.400 -0.006 0.000 0.819 54 E CB -0.375 29.324 29.700 -0.002 0.000 0.769 54 E HN 0.743 nan 8.360 nan 0.000 0.454 55 A N 1.906 124.717 122.820 -0.014 0.000 2.507 55 A HA -0.033 4.263 4.320 -0.041 0.000 0.281 55 A C 0.036 177.603 177.584 -0.029 0.000 1.154 55 A CA 0.305 52.331 52.037 -0.017 0.000 0.828 55 A CB -0.681 18.311 19.000 -0.013 0.000 1.069 55 A HN 0.349 nan 8.150 nan 0.000 0.522 56 E N 2.568 122.747 120.200 -0.034 0.000 2.223 56 E HA 0.169 4.494 4.350 -0.041 0.000 0.282 56 E C -1.174 175.401 176.600 -0.042 0.000 1.046 56 E CA -0.377 55.991 56.400 -0.053 0.000 0.857 56 E CB 0.556 30.221 29.700 -0.058 0.000 1.055 56 E HN 0.542 nan 8.360 nan 0.000 0.409 57 D N 4.423 124.793 120.400 -0.051 0.000 2.454 57 D HA 0.163 4.779 4.640 -0.041 0.000 0.247 57 D C -0.880 175.397 176.300 -0.038 0.000 1.129 57 D CA -0.750 53.232 54.000 -0.030 0.000 0.877 57 D CB 0.532 41.319 40.800 -0.022 0.000 1.082 57 D HN 0.277 nan 8.370 nan 0.000 0.537 58 R N 3.193 123.687 120.500 -0.010 0.000 2.351 58 R HA 0.268 4.584 4.340 -0.041 0.000 0.321 58 R C -0.035 176.325 176.300 0.100 0.000 1.182 58 R CA -0.068 56.038 56.100 0.010 0.000 1.011 58 R CB -0.015 30.329 30.300 0.073 0.000 1.048 58 R HN 0.268 nan 8.270 nan 0.000 0.490 59 R N 3.229 123.736 120.500 0.012 0.000 2.540 59 R HA 0.424 4.739 4.340 -0.041 0.000 0.287 59 R C -0.858 175.452 176.300 0.018 0.000 0.980 59 R CA -0.584 55.566 56.100 0.084 0.000 0.966 59 R CB 1.265 31.576 30.300 0.018 0.000 1.106 59 R HN 0.274 nan 8.270 nan 0.000 0.480 60 F N 0.422 120.355 119.950 -0.028 0.000 2.551 60 F HA 0.461 4.964 4.527 -0.041 0.000 0.316 60 F C 0.260 176.054 175.800 -0.009 0.000 1.089 60 F CA -0.842 57.137 58.000 -0.036 0.000 0.915 60 F CB 1.902 40.868 39.000 -0.056 0.000 1.186 60 F HN 0.199 nan 8.300 nan 0.000 0.456 61 R N 2.106 122.692 120.500 0.143 0.000 2.445 61 R HA 0.856 5.171 4.340 -0.041 0.000 0.308 61 R C -1.951 174.414 176.300 0.107 0.000 0.961 61 R CA -0.520 55.669 56.100 0.148 0.000 0.862 61 R CB 1.560 31.953 30.300 0.156 0.000 1.144 61 R HN 0.562 nan 8.270 nan 0.000 0.447 62 V N 4.648 124.661 119.914 0.165 0.000 2.789 62 V HA 0.512 4.607 4.120 -0.041 0.000 0.311 62 V C -1.115 175.231 176.094 0.420 0.000 1.073 62 V CA -0.830 61.559 62.300 0.148 0.000 0.921 62 V CB 2.003 33.893 31.823 0.111 0.000 1.009 62 V HN 0.569 nan 8.190 nan 0.000 0.426 63 F N 4.026 124.135 119.950 0.265 0.000 2.402 63 F HA 0.629 5.132 4.527 -0.041 0.000 0.355 63 F C 0.064 175.963 175.800 0.165 0.000 1.123 63 F CA -1.711 56.442 58.000 0.254 0.000 1.021 63 F CB 1.299 40.498 39.000 0.331 0.000 1.160 63 F HN 0.217 nan 8.300 nan 0.000 0.451 64 I N 3.885 124.635 120.570 0.301 0.000 2.339 64 I HA 0.231 4.377 4.170 -0.041 0.000 0.290 64 I C -0.148 176.067 176.117 0.163 0.000 0.994 64 I CA -0.684 60.731 61.300 0.190 0.000 1.191 64 I CB 1.339 39.414 38.000 0.125 0.000 1.343 64 I HN 0.528 nan 8.210 nan 0.000 0.458 65 H N 5.850 124.958 119.070 0.064 0.000 2.488 65 H HA 0.353 4.885 4.556 -0.040 0.000 0.347 65 H C -1.123 174.218 175.328 0.023 0.000 1.174 65 H CA -0.377 55.687 56.048 0.027 0.000 1.307 65 H CB 1.462 31.238 29.762 0.023 0.000 1.517 65 H HN 0.567 nan 8.280 nan 0.000 0.554 66 D N 4.011 123.942 120.400 -0.782 0.000 2.549 66 D HA 0.087 4.703 4.640 -0.041 0.000 0.251 66 D C 1.086 177.009 176.300 -0.628 0.000 1.153 66 D CA -0.484 53.226 54.000 -0.483 0.000 0.861 66 D CB 1.628 42.276 40.800 -0.252 0.000 1.207 66 D HN 0.504 nan 8.370 nan 0.000 0.543 67 V N 1.918 121.668 119.914 -0.274 0.000 2.759 67 V HA -0.118 3.978 4.120 -0.041 0.000 0.256 67 V C 1.790 177.850 176.094 -0.057 0.000 1.080 67 V CA 1.269 63.526 62.300 -0.071 0.000 1.101 67 V CB -0.587 31.272 31.823 0.060 0.000 0.698 67 V HN 0.384 nan 8.190 nan 0.000 0.477 68 S N 0.793 116.445 115.700 -0.080 0.000 2.423 68 S HA 0.244 4.689 4.470 -0.041 0.000 0.231 68 S C 1.732 176.300 174.600 -0.054 0.000 1.014 68 S CA 1.414 59.584 58.200 -0.050 0.000 0.965 68 S CB -0.027 63.145 63.200 -0.047 0.000 0.785 68 S HN 1.395 nan 8.310 nan 0.000 0.495 69 G N 0.445 109.190 108.800 -0.091 0.000 2.205 69 G HA2 0.009 3.944 3.960 -0.041 0.000 0.180 69 G HA3 0.009 3.944 3.960 -0.041 0.000 0.180 69 G C 0.095 174.948 174.900 -0.078 0.000 1.004 69 G CA -0.213 44.846 45.100 -0.068 0.000 0.670 69 G HN 0.776 nan 8.290 nan 0.000 0.496 70 A N 0.551 123.313 122.820 -0.097 0.000 2.366 70 A HA 0.706 5.001 4.320 -0.041 0.000 0.249 70 A C 0.911 178.436 177.584 -0.098 0.000 1.084 70 A CA -0.138 51.849 52.037 -0.083 0.000 0.794 70 A CB 0.279 19.235 19.000 -0.075 0.000 1.034 70 A HN 0.468 nan 8.150 nan 0.000 0.491 71 R N 1.198 121.651 120.500 -0.079 0.000 2.623 71 R HA 0.183 4.499 4.340 -0.041 0.000 0.271 71 R C -2.209 174.038 176.300 -0.089 0.000 1.043 71 R CA -0.873 55.177 56.100 -0.084 0.000 1.083 71 R CB -0.104 30.151 30.300 -0.076 0.000 0.974 71 R HN 0.594 nan 8.270 nan 0.000 0.436 72 P HA 0.102 nan 4.420 nan 0.000 0.277 72 P C -0.977 176.278 177.300 -0.074 0.000 1.271 72 P CA -0.346 62.709 63.100 -0.074 0.000 0.795 72 P CB 0.952 32.613 31.700 -0.066 0.000 1.101 73 Q N -0.927 118.860 119.800 -0.021 0.000 2.416 73 Q HA 0.383 4.699 4.340 -0.041 0.000 0.281 73 Q C -0.961 175.092 176.000 0.089 0.000 1.067 73 Q CA -0.696 55.110 55.803 0.006 0.000 0.809 73 Q CB 2.646 31.401 28.738 0.028 0.000 1.418 73 Q HN 0.450 nan 8.270 nan 0.000 0.411 74 E N 1.586 121.854 120.200 0.113 0.000 2.145 74 E HA 0.507 4.833 4.350 -0.041 0.000 0.270 74 E C -1.559 175.173 176.600 0.219 0.000 0.906 74 E CA -0.530 56.032 56.400 0.272 0.000 0.761 74 E CB 1.416 31.288 29.700 0.287 0.000 1.116 74 E HN 0.305 nan 8.360 nan 0.000 0.408 75 V N 3.400 123.459 119.914 0.243 0.000 2.789 75 V HA 0.411 4.507 4.120 -0.041 0.000 0.311 75 V C -0.392 175.800 176.094 0.164 0.000 1.073 75 V CA -0.736 61.662 62.300 0.163 0.000 0.921 75 V CB 2.315 34.212 31.823 0.123 0.000 1.009 75 V HN 0.734 nan 8.190 nan 0.000 0.426 76 T N 3.839 118.468 114.554 0.125 0.000 2.792 76 T HA 0.653 4.979 4.350 -0.041 0.000 0.280 76 T C -0.428 174.327 174.700 0.092 0.000 0.990 76 T CA -0.406 61.763 62.100 0.116 0.000 0.960 76 T CB 1.512 70.438 68.868 0.097 0.000 0.939 76 T HN 0.783 nan 8.240 nan 0.000 0.439 77 V N 0.735 120.711 119.914 0.104 0.000 2.960 77 V HA 0.928 5.024 4.120 -0.041 0.000 0.315 77 V C -0.193 175.959 176.094 0.097 0.000 1.087 77 V CA -0.931 61.415 62.300 0.077 0.000 0.982 77 V CB 2.135 33.986 31.823 0.046 0.000 1.039 77 V HN 0.754 nan 8.190 nan 0.000 0.437 78 S N 1.586 117.324 115.700 0.064 0.000 2.498 78 S HA 0.459 4.905 4.470 -0.041 0.000 0.324 78 S C 0.448 175.077 174.600 0.049 0.000 1.071 78 S CA -0.321 57.919 58.200 0.067 0.000 1.113 78 S CB 1.170 64.392 63.200 0.038 0.000 0.976 78 S HN 0.817 nan 8.310 nan 0.000 0.462 79 V N 5.085 125.045 119.914 0.078 0.000 2.667 79 V HA -0.066 4.030 4.120 -0.041 0.000 0.252 79 V C 2.432 178.536 176.094 0.016 0.000 1.065 79 V CA 2.130 64.438 62.300 0.013 0.000 1.083 79 V CB -0.815 31.005 31.823 -0.004 0.000 0.692 79 V HN 0.892 nan 8.190 nan 0.000 0.468 80 T N 0.683 115.259 114.554 0.036 0.000 2.777 80 T HA -0.097 4.229 4.350 -0.041 0.000 0.266 80 T C 1.387 176.092 174.700 0.008 0.000 1.040 80 T CA 1.434 63.545 62.100 0.019 0.000 1.141 80 T CB -0.217 68.661 68.868 0.015 0.000 0.868 80 T HN 0.441 nan 8.240 nan 0.000 0.444 81 N N 0.442 119.148 118.700 0.009 0.000 2.238 81 N HA 0.221 4.937 4.740 -0.041 0.000 0.222 81 N C 1.045 176.556 175.510 0.001 0.000 1.133 81 N CA 0.245 53.297 53.050 0.004 0.000 0.854 81 N CB 0.475 38.966 38.487 0.006 0.000 1.041 81 N HN 0.450 nan 8.380 nan 0.000 0.510 82 G N 1.787 110.585 108.800 -0.002 0.000 2.422 82 G HA2 -0.303 3.633 3.960 -0.041 0.000 0.301 82 G HA3 -0.303 3.633 3.960 -0.041 0.000 0.301 82 G C 0.283 175.180 174.900 -0.004 0.000 0.981 82 G CA 1.364 46.459 45.100 -0.010 0.000 0.994 82 G HN 0.470 nan 8.290 nan 0.000 0.514 83 T N -4.150 110.407 114.554 0.004 0.000 2.888 83 T HA 0.707 5.033 4.350 -0.041 0.000 0.288 83 T C -0.432 174.277 174.700 0.016 0.000 1.063 83 T CA -0.754 61.350 62.100 0.008 0.000 1.010 83 T CB 2.741 71.615 68.868 0.010 0.000 1.214 83 T HN 0.601 nan 8.240 nan 0.000 0.533 84 V N 1.754 121.679 119.914 0.019 0.000 2.328 84 V HA 0.333 4.428 4.120 -0.041 0.000 0.278 84 V C 0.901 177.013 176.094 0.030 0.000 1.021 84 V CA -0.549 61.768 62.300 0.028 0.000 0.838 84 V CB 0.634 32.472 31.823 0.026 0.000 0.999 84 V HN 0.867 nan 8.190 nan 0.000 0.447 85 I N 3.235 123.827 120.570 0.038 0.000 2.406 85 I HA 0.002 4.148 4.170 -0.041 0.000 0.249 85 I C 0.879 177.017 176.117 0.036 0.000 1.122 85 I CA 0.954 62.275 61.300 0.034 0.000 1.431 85 I CB 0.245 38.267 38.000 0.037 0.000 1.087 85 I HN 0.760 nan 8.210 nan 0.000 0.424 86 S N -0.201 115.527 115.700 0.048 0.000 2.543 86 S HA 0.811 5.257 4.470 -0.041 0.000 0.274 86 S C -0.910 173.726 174.600 0.060 0.000 1.149 86 S CA -0.717 57.513 58.200 0.049 0.000 0.866 86 S CB 1.998 65.229 63.200 0.052 0.000 1.111 86 S HN 0.136 nan 8.310 nan 0.000 0.457 87 A N 1.517 124.367 122.820 0.051 0.000 2.414 87 A HA 0.739 5.034 4.320 -0.041 0.000 0.286 87 A C -1.204 176.405 177.584 0.042 0.000 1.073 87 A CA -0.705 51.364 52.037 0.054 0.000 0.727 87 A CB 1.241 20.266 19.000 0.041 0.000 1.215 87 A HN 1.259 nan 8.150 nan 0.000 0.430 88 V N 2.151 122.093 119.914 0.048 0.000 2.531 88 V HA 0.391 4.487 4.120 -0.041 0.000 0.301 88 V C 0.142 176.235 176.094 -0.001 0.000 1.034 88 V CA -0.617 61.698 62.300 0.025 0.000 0.865 88 V CB 1.673 33.517 31.823 0.034 0.000 0.995 88 V HN 0.979 nan 8.190 nan 0.000 0.424 89 E N 3.501 123.689 120.200 -0.020 0.000 2.354 89 E HA 0.506 4.831 4.350 -0.041 0.000 0.269 89 E C -1.227 175.324 176.600 -0.082 0.000 1.036 89 E CA -0.398 55.973 56.400 -0.047 0.000 0.876 89 E CB 0.940 30.615 29.700 -0.041 0.000 1.009 89 E HN 0.542 nan 8.360 nan 0.000 0.416 90 L N 3.188 124.330 121.223 -0.135 0.000 2.325 90 L HA 0.316 4.632 4.340 -0.041 0.000 0.278 90 L C 0.090 176.852 176.870 -0.180 0.000 1.023 90 L CA -0.673 54.044 54.840 -0.205 0.000 0.811 90 L CB 1.404 43.225 42.059 -0.396 0.000 1.249 90 L HN 0.504 nan 8.230 nan 0.000 0.431 91 D N 1.178 121.478 120.400 -0.165 0.000 2.499 91 D HA 0.048 4.663 4.640 -0.041 0.000 0.225 91 D C 1.234 177.434 176.300 -0.165 0.000 1.124 91 D CA -0.136 53.785 54.000 -0.132 0.000 0.938 91 D CB 1.259 42.003 40.800 -0.094 0.000 1.014 91 D HN 0.745 nan 8.370 nan 0.000 0.517 92 T N 0.500 114.942 114.554 -0.186 0.000 2.778 92 T HA -0.192 4.134 4.350 -0.041 0.000 0.269 92 T C 1.841 176.449 174.700 -0.153 0.000 1.050 92 T CA 1.144 63.125 62.100 -0.198 0.000 1.137 92 T CB -0.062 68.703 68.868 -0.171 0.000 0.860 92 T HN 0.261 nan 8.240 nan 0.000 0.468 93 A N 1.140 123.884 122.820 -0.126 0.000 2.067 93 A HA 0.458 4.754 4.320 -0.041 0.000 0.219 93 A C 2.642 180.137 177.584 -0.148 0.000 1.158 93 A CA 1.573 53.537 52.037 -0.121 0.000 0.661 93 A CB -1.000 17.945 19.000 -0.091 0.000 0.801 93 A HN 0.783 nan 8.150 nan 0.000 0.452 94 A N -0.837 121.903 122.820 -0.134 0.000 1.887 94 A HA 0.117 4.412 4.320 -0.041 0.000 0.210 94 A C 2.202 179.715 177.584 -0.118 0.000 1.221 94 A CA 1.774 53.738 52.037 -0.122 0.000 0.635 94 A CB -0.758 18.195 19.000 -0.078 0.000 0.881 94 A HN 0.632 nan 8.150 nan 0.000 0.456 95 T N -3.302 111.207 114.554 -0.074 0.000 3.086 95 T HA 0.472 4.797 4.350 -0.041 0.000 0.250 95 T C 0.893 175.713 174.700 0.200 0.000 1.074 95 T CA 0.840 62.984 62.100 0.073 0.000 0.988 95 T CB -0.078 68.805 68.868 0.025 0.000 0.988 95 T HN 1.900 nan 8.240 nan 0.000 0.530 96 G N 1.080 109.876 108.800 -0.008 0.000 2.629 96 G HA2 0.037 3.973 3.960 -0.041 0.000 0.686 96 G HA3 0.037 3.973 3.960 -0.041 0.000 0.686 96 G C -1.111 173.725 174.900 -0.107 0.000 1.232 96 G CA -1.075 44.049 45.100 0.040 0.000 0.803 96 G HN 0.253 nan 8.290 nan 0.000 0.638 97 E N -0.397 119.767 120.200 -0.060 0.000 2.345 97 E HA 0.545 4.870 4.350 -0.041 0.000 0.259 97 E C 0.676 177.255 176.600 -0.035 0.000 1.117 97 E CA -0.646 55.702 56.400 -0.086 0.000 0.913 97 E CB 1.137 30.805 29.700 -0.054 0.000 1.057 97 E HN 0.382 nan 8.360 nan 0.000 0.432 98 L N 2.124 123.321 121.223 -0.043 0.000 2.472 98 L HA 0.189 4.505 4.340 -0.041 0.000 0.260 98 L C -2.034 174.875 176.870 0.065 0.000 1.209 98 L CA -1.297 53.584 54.840 0.068 0.000 0.817 98 L CB -0.642 41.463 42.059 0.077 0.000 1.106 98 L HN 0.272 nan 8.230 nan 0.000 0.479 99 P HA 0.000 nan 4.420 nan 0.000 0.266 99 P C -0.891 176.401 177.300 -0.013 0.000 1.193 99 P CA -0.280 62.855 63.100 0.059 0.000 0.770 99 P CB 0.299 32.073 31.700 0.123 0.000 0.836 100 V N 4.095 123.979 119.914 -0.051 0.000 2.599 100 V HA -0.060 4.035 4.120 -0.041 0.000 0.300 100 V C 0.796 176.817 176.094 -0.123 0.000 1.034 100 V CA 0.337 62.595 62.300 -0.069 0.000 1.115 100 V CB -0.494 31.343 31.823 0.024 0.000 0.934 100 V HN 0.322 nan 8.190 nan 0.000 0.485 101 L N 3.726 124.802 121.223 -0.245 0.000 2.371 101 L HA 0.265 4.581 4.340 -0.041 0.000 0.272 101 L C 1.628 178.135 176.870 -0.605 0.000 1.124 101 L CA -0.015 54.644 54.840 -0.302 0.000 0.816 101 L CB 0.688 42.593 42.059 -0.258 0.000 1.129 101 L HN 0.763 nan 8.230 nan 0.000 0.448 102 E N 2.031 121.933 120.200 -0.497 0.000 2.118 102 E HA -0.247 4.079 4.350 -0.041 0.000 0.195 102 E C 1.538 177.880 176.600 -0.430 0.000 0.992 102 E CA 1.669 57.694 56.400 -0.626 0.000 0.804 102 E CB 0.232 29.921 29.700 -0.018 0.000 0.741 102 E HN 0.802 nan 8.360 nan 0.000 0.458 103 E N 0.084 120.142 120.200 -0.236 0.000 2.338 103 E HA -0.177 4.148 4.350 -0.041 0.000 0.197 103 E C 1.352 177.912 176.600 -0.067 0.000 1.007 103 E CA 0.901 57.247 56.400 -0.091 0.000 0.849 103 E CB -0.070 29.598 29.700 -0.053 0.000 0.774 103 E HN 0.362 nan 8.360 nan 0.000 0.506 104 E N -0.236 119.868 120.200 -0.160 0.000 2.481 104 E HA -0.014 4.312 4.350 -0.041 0.000 0.195 104 E C 0.965 177.642 176.600 0.129 0.000 1.047 104 E CA -0.024 56.351 56.400 -0.042 0.000 0.867 104 E CB 0.010 29.662 29.700 -0.080 0.000 0.858 104 E HN 0.251 nan 8.360 nan 0.000 0.513 105 F N 2.213 122.208 119.950 0.074 0.000 2.186 105 F HA -0.153 4.350 4.527 -0.040 0.000 0.299 105 F C 2.471 178.303 175.800 0.053 0.000 1.090 105 F CA 1.054 59.100 58.000 0.077 0.000 1.307 105 F CB -0.602 38.449 39.000 0.085 0.000 1.019 105 F HN 0.108 nan 8.300 nan 0.000 0.489 106 E N 0.147 120.487 120.200 0.234 0.000 2.158 106 E HA -0.082 4.244 4.350 -0.041 0.000 0.191 106 E C 2.203 178.854 176.600 0.086 0.000 0.982 106 E CA 1.112 57.594 56.400 0.135 0.000 0.823 106 E CB -1.107 28.658 29.700 0.108 0.000 0.766 106 E HN 0.250 nan 8.360 nan 0.000 0.468 107 V N 2.167 122.130 119.914 0.082 0.000 2.317 107 V HA -0.289 3.807 4.120 -0.041 0.000 0.251 107 V C 2.693 178.791 176.094 0.008 0.000 1.065 107 V CA 1.862 64.187 62.300 0.042 0.000 1.049 107 V CB -0.642 31.205 31.823 0.040 0.000 0.651 107 V HN 0.129 nan 8.190 nan 0.000 0.450 108 V N -0.258 119.666 119.914 0.017 0.000 2.287 108 V HA -0.322 3.774 4.120 -0.041 0.000 0.248 108 V C 2.410 178.430 176.094 -0.124 0.000 1.053 108 V CA 2.447 64.717 62.300 -0.050 0.000 1.027 108 V CB -0.650 31.164 31.823 -0.014 0.000 0.646 108 V HN 0.664 nan 8.190 nan 0.000 0.447 109 E N -0.166 119.997 120.200 -0.061 0.000 2.047 109 E HA -0.264 4.062 4.350 -0.041 0.000 0.191 109 E C 2.321 178.882 176.600 -0.065 0.000 0.987 109 E CA 1.434 57.794 56.400 -0.066 0.000 0.799 109 E CB -0.075 29.634 29.700 0.015 0.000 0.752 109 E HN 0.694 nan 8.360 nan 0.000 0.449 110 Q N 0.335 120.120 119.800 -0.026 0.000 2.030 110 Q HA -0.195 4.120 4.340 -0.041 0.000 0.204 110 Q C 2.446 178.424 176.000 -0.038 0.000 0.986 110 Q CA 1.805 57.601 55.803 -0.011 0.000 0.843 110 Q CB -0.166 28.577 28.738 0.009 0.000 0.904 110 Q HN 0.348 nan 8.270 nan 0.000 0.420 111 L N 0.175 121.359 121.223 -0.065 0.000 2.017 111 L HA -0.215 4.101 4.340 -0.041 0.000 0.208 111 L C 2.360 179.152 176.870 -0.129 0.000 1.073 111 L CA 1.022 55.814 54.840 -0.080 0.000 0.745 111 L CB -0.513 41.496 42.059 -0.084 0.000 0.894 111 L HN 0.275 nan 8.230 nan 0.000 0.432 112 L N -0.237 120.826 121.223 -0.268 0.000 2.131 112 L HA -0.195 4.120 4.340 -0.041 0.000 0.210 112 L C 2.851 179.610 176.870 -0.184 0.000 1.092 112 L CA 0.953 55.499 54.840 -0.489 0.000 0.759 112 L CB -0.749 40.562 42.059 -1.246 0.000 0.903 112 L HN 0.261 nan 8.230 nan 0.000 0.435 113 A N -0.119 122.675 122.820 -0.043 0.000 2.024 113 A HA -0.198 4.098 4.320 -0.041 0.000 0.220 113 A C 2.094 179.747 177.584 0.115 0.000 1.164 113 A CA 2.160 54.268 52.037 0.119 0.000 0.643 113 A CB -0.727 18.319 19.000 0.078 0.000 0.806 113 A HN 0.519 nan 8.150 nan 0.000 0.451 114 T N -3.205 111.385 114.554 0.060 0.000 3.174 114 T HA 0.310 4.635 4.350 -0.041 0.000 0.269 114 T C -0.236 174.499 174.700 0.058 0.000 1.017 114 T CA 0.161 62.294 62.100 0.056 0.000 0.899 114 T CB -0.325 68.561 68.868 0.031 0.000 1.077 114 T HN 0.313 nan 8.240 nan 0.000 0.552 115 D N 0.920 121.371 120.400 0.085 0.000 2.232 115 D HA 0.262 4.878 4.640 -0.041 0.000 0.242 115 D C 1.126 177.503 176.300 0.129 0.000 1.093 115 D CA -0.482 53.570 54.000 0.087 0.000 0.845 115 D CB 1.271 42.111 40.800 0.067 0.000 1.124 115 D HN 0.168 nan 8.370 nan 0.000 0.467 116 E N 2.218 122.466 120.200 0.080 0.000 2.097 116 E HA -0.244 4.081 4.350 -0.041 0.000 0.196 116 E C 1.702 178.346 176.600 0.073 0.000 1.000 116 E CA 1.095 57.534 56.400 0.065 0.000 0.804 116 E CB 0.179 29.902 29.700 0.038 0.000 0.740 116 E HN 0.472 nan 8.360 nan 0.000 0.454 117 R N -0.009 120.544 120.500 0.087 0.000 2.075 117 R HA -0.114 4.202 4.340 -0.041 0.000 0.232 117 R C 2.205 178.584 176.300 0.133 0.000 1.126 117 R CA 1.309 57.459 56.100 0.084 0.000 0.963 117 R CB -0.338 30.007 30.300 0.075 0.000 0.858 117 R HN 0.400 nan 8.270 nan 0.000 0.435 118 W N 1.492 122.773 121.300 -0.031 0.000 2.353 118 W HA -0.166 4.488 4.660 -0.012 0.000 0.319 118 W C 1.585 178.092 176.519 -0.021 0.000 1.207 118 W CA 1.267 58.595 57.345 -0.028 0.000 1.291 118 W CB -0.245 29.202 29.460 -0.022 0.000 1.159 118 W HN 0.070 nan 8.180 nan 0.000 0.478 119 L N 0.948 122.251 121.223 0.133 0.000 2.127 119 L HA -0.284 4.032 4.340 -0.041 0.000 0.211 119 L C 2.487 179.321 176.870 -0.060 0.000 1.089 119 L CA 1.762 56.610 54.840 0.013 0.000 0.757 119 L CB -0.881 41.218 42.059 0.067 0.000 0.899 119 L HN -0.060 nan 8.230 nan 0.000 0.434 120 K N 0.498 120.876 120.400 -0.036 0.000 2.057 120 K HA -0.119 4.176 4.320 -0.041 0.000 0.206 120 K C 2.050 178.589 176.600 -0.103 0.000 1.050 120 K CA 1.492 57.748 56.287 -0.051 0.000 0.935 120 K CB -0.270 32.215 32.500 -0.024 0.000 0.715 120 K HN 0.209 nan 8.250 nan 0.000 0.439 121 A N 0.704 123.430 122.820 -0.157 0.000 1.902 121 A HA -0.078 4.218 4.320 -0.041 0.000 0.217 121 A C 2.171 179.590 177.584 -0.274 0.000 1.181 121 A CA 1.549 53.452 52.037 -0.224 0.000 0.623 121 A CB -0.678 18.133 19.000 -0.316 0.000 0.818 121 A HN 0.321 nan 8.150 nan 0.000 0.443 122 L N -0.949 120.064 121.223 -0.351 0.000 2.093 122 L HA -0.146 4.170 4.340 -0.041 0.000 0.208 122 L C 3.047 179.816 176.870 -0.168 0.000 1.085 122 L CA 0.968 55.628 54.840 -0.300 0.000 0.755 122 L CB -0.624 41.242 42.059 -0.321 0.000 0.904 122 L HN 0.436 nan 8.230 nan 0.000 0.435 123 A N 0.280 123.023 122.820 -0.128 0.000 1.930 123 A HA -0.100 4.196 4.320 -0.041 0.000 0.217 123 A C 2.524 180.062 177.584 -0.076 0.000 1.175 123 A CA 1.510 53.498 52.037 -0.082 0.000 0.627 123 A CB -0.544 18.420 19.000 -0.059 0.000 0.815 123 A HN 0.380 nan 8.150 nan 0.000 0.443 124 A N -0.308 122.459 122.820 -0.087 0.000 2.019 124 A HA -0.100 4.195 4.320 -0.041 0.000 0.219 124 A C 2.088 179.628 177.584 -0.073 0.000 1.164 124 A CA 1.387 53.380 52.037 -0.073 0.000 0.644 124 A CB -0.297 18.658 19.000 -0.075 0.000 0.805 124 A HN 0.546 nan 8.150 nan 0.000 0.449 125 R N -0.807 119.639 120.500 -0.090 0.000 2.362 125 R HA 0.117 4.432 4.340 -0.041 0.000 0.227 125 R C -0.307 175.951 176.300 -0.071 0.000 0.905 125 R CA 0.156 56.208 56.100 -0.081 0.000 1.067 125 R CB 0.190 30.429 30.300 -0.101 0.000 1.078 125 R HN 0.442 nan 8.270 nan 0.000 0.516 126 N N 0.961 119.620 118.700 -0.069 0.000 2.740 126 N HA -0.176 4.539 4.740 -0.041 0.000 0.248 126 N C -1.070 174.405 175.510 -0.059 0.000 1.062 126 N CA 0.950 53.966 53.050 -0.056 0.000 0.704 126 N CB -1.400 37.062 38.487 -0.042 0.000 0.968 126 N HN 0.273 nan 8.380 nan 0.000 0.547 127 L N 0.264 121.440 121.223 -0.077 0.000 2.296 127 L HA 0.321 4.637 4.340 -0.041 0.000 0.286 127 L C 0.660 177.493 176.870 -0.061 0.000 1.023 127 L CA -0.884 53.910 54.840 -0.076 0.000 0.812 127 L CB 1.417 43.412 42.059 -0.106 0.000 1.223 127 L HN -0.087 nan 8.230 nan 0.000 0.421 128 D N 2.341 122.718 120.400 -0.038 0.000 2.358 128 D HA -0.022 4.594 4.640 -0.041 0.000 0.258 128 D C 0.887 177.185 176.300 -0.004 0.000 1.223 128 D CA 0.171 54.160 54.000 -0.018 0.000 0.886 128 D CB 1.722 42.518 40.800 -0.008 0.000 1.120 128 D HN 0.302 nan 8.370 nan 0.000 0.482 129 V N 4.009 123.929 119.914 0.009 0.000 2.453 129 V HA -0.279 3.817 4.120 -0.041 0.000 0.252 129 V C 2.099 178.233 176.094 0.067 0.000 1.068 129 V CA 2.916 65.247 62.300 0.053 0.000 1.070 129 V CB -0.509 31.364 31.823 0.083 0.000 0.664 129 V HN 0.748 nan 8.190 nan 0.000 0.461 130 S N -1.335 114.392 115.700 0.045 0.000 2.515 130 S HA -0.105 4.341 4.470 -0.041 0.000 0.231 130 S C 1.716 176.338 174.600 0.035 0.000 0.987 130 S CA 1.083 59.308 58.200 0.043 0.000 0.936 130 S CB -0.282 62.938 63.200 0.033 0.000 0.766 130 S HN 0.566 nan 8.310 nan 0.000 0.528 131 K N 0.758 121.174 120.400 0.026 0.000 2.353 131 K HA 0.377 4.672 4.320 -0.041 0.000 0.195 131 K C -0.432 176.177 176.600 0.015 0.000 1.031 131 K CA -0.017 56.276 56.287 0.011 0.000 1.079 131 K CB 0.693 33.189 32.500 -0.006 0.000 0.857 131 K HN 0.266 nan 8.250 nan 0.000 0.535 132 V N 3.317 123.258 119.914 0.046 0.000 2.368 132 V HA 0.256 4.351 4.120 -0.041 0.000 0.266 132 V C 0.159 176.320 176.094 0.110 0.000 1.045 132 V CA -0.798 61.550 62.300 0.079 0.000 0.899 132 V CB 0.815 32.703 31.823 0.108 0.000 1.006 132 V HN 0.096 nan 8.190 nan 0.000 0.470 133 R N 3.429 123.975 120.500 0.077 0.000 2.410 133 R HA 0.603 4.919 4.340 -0.041 0.000 0.288 133 R C -0.781 175.602 176.300 0.138 0.000 1.051 133 R CA -0.468 55.665 56.100 0.055 0.000 1.021 133 R CB 1.759 32.023 30.300 -0.060 0.000 1.032 133 R HN 0.460 nan 8.270 nan 0.000 0.481 134 V N 1.993 121.979 119.914 0.120 0.000 2.483 134 V HA 0.398 4.494 4.120 -0.041 0.000 0.297 134 V C 0.034 176.208 176.094 0.135 0.000 1.027 134 V CA -1.208 61.193 62.300 0.168 0.000 0.855 134 V CB 1.708 33.581 31.823 0.083 0.000 0.995 134 V HN 0.852 nan 8.190 nan 0.000 0.424 135 A N 7.601 130.558 122.820 0.229 0.000 2.404 135 A HA 0.624 4.920 4.320 -0.041 0.000 0.273 135 A C -2.163 175.522 177.584 0.168 0.000 1.144 135 A CA -1.288 50.862 52.037 0.188 0.000 0.806 135 A CB 0.137 19.356 19.000 0.364 0.000 1.080 135 A HN 0.602 nan 8.150 nan 0.000 0.509 136 P HA 0.323 nan 4.420 nan 0.000 0.274 136 P C -0.951 176.443 177.300 0.157 0.000 1.470 136 P CA 0.212 63.388 63.100 0.127 0.000 1.001 136 P CB 0.273 32.084 31.700 0.184 0.000 1.332 137 L N 2.263 123.623 121.223 0.228 0.000 2.331 137 L HA 0.438 4.753 4.340 -0.041 0.000 0.275 137 L C 1.162 178.278 176.870 0.411 0.000 1.022 137 L CA -0.943 54.090 54.840 0.323 0.000 0.812 137 L CB 1.387 43.747 42.059 0.503 0.000 1.257 137 L HN 0.257 nan 8.230 nan 0.000 0.435 138 S N 0.625 116.650 115.700 0.542 0.000 2.568 138 S HA 0.258 4.703 4.470 -0.041 0.000 0.282 138 S C 0.782 175.630 174.600 0.413 0.000 1.338 138 S CA -0.066 58.363 58.200 0.382 0.000 1.045 138 S CB 1.374 64.794 63.200 0.366 0.000 0.873 138 S HN 0.750 nan 8.310 nan 0.000 0.516 139 A N 2.687 125.633 122.820 0.211 0.000 2.063 139 A HA 0.600 4.895 4.320 -0.041 0.000 0.211 139 A C 1.528 179.298 177.584 0.311 0.000 1.177 139 A CA 0.588 52.701 52.037 0.128 0.000 0.759 139 A CB -1.383 17.573 19.000 -0.073 0.000 0.857 139 A HN 2.281 nan 8.150 nan 0.000 0.468 140 G N -1.427 107.521 108.800 0.246 0.000 2.601 140 G HA2 -0.081 3.855 3.960 -0.041 0.000 0.252 140 G HA3 -0.081 3.855 3.960 -0.041 0.000 0.252 140 G C -0.347 174.536 174.900 -0.029 0.000 1.294 140 G CA -0.140 45.056 45.100 0.160 0.000 0.912 140 G HN 1.115 nan 8.290 nan 0.000 0.574 141 V N 0.919 120.610 119.914 -0.371 0.000 2.447 141 V HA 0.709 4.805 4.120 -0.041 0.000 0.292 141 V C -0.341 175.303 176.094 -0.749 0.000 1.021 141 V CA -0.366 61.715 62.300 -0.366 0.000 0.850 141 V CB 0.948 32.614 31.823 -0.262 0.000 1.005 141 V HN 0.677 nan 8.190 nan 0.000 0.426 142 F N 1.605 121.569 119.950 0.023 0.000 2.979 142 F HA 0.427 4.931 4.527 -0.039 0.000 0.370 142 F C 1.662 177.346 175.800 -0.195 0.000 1.320 142 F CA -0.747 57.217 58.000 -0.060 0.000 1.095 142 F CB 0.457 39.443 39.000 -0.024 0.000 1.553 142 F HN 0.484 nan 8.300 nan 0.000 0.493 143 E N 0.576 120.665 120.200 -0.186 0.000 2.515 143 E HA -0.170 4.155 4.350 -0.041 0.000 0.201 143 E C -0.800 175.602 176.600 -0.330 0.000 1.071 143 E CA 0.765 56.987 56.400 -0.296 0.000 0.880 143 E CB -0.863 28.660 29.700 -0.295 0.000 0.828 143 E HN 0.550 nan 8.360 nan 0.000 0.540 144 Y N 0.964 121.320 120.300 0.094 0.000 2.636 144 Y HA 0.428 4.954 4.550 -0.040 0.000 0.341 144 Y C 1.625 177.543 175.900 0.029 0.000 1.169 144 Y CA -0.126 58.013 58.100 0.066 0.000 1.498 144 Y CB 0.405 38.906 38.460 0.067 0.000 1.362 144 Y HN 0.046 nan 8.280 nan 0.000 0.494 145 A N 2.142 125.029 122.820 0.111 0.000 1.986 145 A HA -0.251 4.045 4.320 -0.041 0.000 0.220 145 A C 2.205 179.825 177.584 0.061 0.000 1.171 145 A CA 1.946 54.018 52.037 0.059 0.000 0.640 145 A CB -0.295 18.726 19.000 0.036 0.000 0.811 145 A HN 0.741 nan 8.150 nan 0.000 0.451 146 E N 0.564 120.818 120.200 0.090 0.000 2.409 146 E HA -0.186 4.140 4.350 -0.041 0.000 0.198 146 E C 1.139 177.767 176.600 0.047 0.000 1.024 146 E CA 1.341 57.778 56.400 0.062 0.000 0.861 146 E CB -0.389 29.352 29.700 0.067 0.000 0.788 146 E HN 0.786 nan 8.360 nan 0.000 0.521 147 E N 0.725 120.963 120.200 0.062 0.000 2.318 147 E HA 0.051 4.377 4.350 -0.041 0.000 0.193 147 E C 0.194 176.794 176.600 0.001 0.000 0.998 147 E CA -0.181 56.237 56.400 0.030 0.000 0.859 147 E CB 0.095 29.822 29.700 0.045 0.000 0.812 147 E HN 0.178 nan 8.360 nan 0.000 0.492 148 R N 0.584 121.082 120.500 -0.004 0.000 2.446 148 R HA 0.116 4.432 4.340 -0.041 0.000 0.325 148 R C 0.836 177.113 176.300 -0.039 0.000 0.997 148 R CA 0.720 56.799 56.100 -0.034 0.000 1.010 148 R CB 0.141 30.418 30.300 -0.039 0.000 0.946 148 R HN 0.300 nan 8.270 nan 0.000 0.422 149 G N 2.478 111.247 108.800 -0.052 0.000 2.254 149 G HA2 -0.238 3.698 3.960 -0.041 0.000 0.225 149 G HA3 -0.238 3.698 3.960 -0.041 0.000 0.225 149 G C 0.088 174.966 174.900 -0.037 0.000 1.003 149 G CA -0.539 44.530 45.100 -0.052 0.000 0.622 149 G HN 0.459 nan 8.290 nan 0.000 0.507 150 R N 0.760 121.244 120.500 -0.026 0.000 2.428 150 R HA 0.501 4.817 4.340 -0.041 0.000 0.294 150 R C 0.481 176.771 176.300 -0.017 0.000 1.000 150 R CA -0.572 55.519 56.100 -0.015 0.000 0.960 150 R CB 1.011 31.306 30.300 -0.009 0.000 1.076 150 R HN 0.628 nan 8.270 nan 0.000 0.475 151 R N 2.014 122.511 120.500 -0.005 0.000 2.235 151 R HA 0.330 4.646 4.340 -0.041 0.000 0.338 151 R C -0.203 176.089 176.300 -0.014 0.000 1.087 151 R CA -0.416 55.677 56.100 -0.012 0.000 0.948 151 R CB 0.339 30.634 30.300 -0.009 0.000 1.099 151 R HN 0.273 nan 8.270 nan 0.000 0.483 152 I N 4.367 124.921 120.570 -0.026 0.000 2.566 152 I HA 0.390 4.535 4.170 -0.041 0.000 0.303 152 I C 0.168 176.266 176.117 -0.032 0.000 0.983 152 I CA -1.248 60.028 61.300 -0.040 0.000 1.235 152 I CB 1.383 39.334 38.000 -0.083 0.000 1.386 152 I HN 0.692 nan 8.210 nan 0.000 0.494 153 L N 5.053 126.258 121.223 -0.030 0.000 2.436 153 L HA 0.474 4.790 4.340 -0.041 0.000 0.268 153 L C -0.149 176.693 176.870 -0.046 0.000 0.974 153 L CA -0.710 54.134 54.840 0.007 0.000 0.826 153 L CB 2.343 44.442 42.059 0.067 0.000 1.291 153 L HN 0.557 nan 8.230 nan 0.000 0.406 154 R N 1.250 121.693 120.500 -0.094 0.000 2.536 154 R HA 0.715 5.030 4.340 -0.041 0.000 0.279 154 R C -0.065 176.245 176.300 0.016 0.000 1.001 154 R CA -0.706 55.285 56.100 -0.181 0.000 1.027 154 R CB 1.722 31.558 30.300 -0.773 0.000 1.096 154 R HN 0.721 nan 8.270 nan 0.000 0.502 155 G N 1.710 110.545 108.800 0.058 0.000 2.617 155 G HA2 0.578 4.513 3.960 -0.041 0.000 0.306 155 G HA3 0.578 4.513 3.960 -0.041 0.000 0.306 155 G C -1.065 174.005 174.900 0.284 0.000 1.360 155 G CA -0.619 44.562 45.100 0.135 0.000 0.983 155 G HN 0.276 nan 8.290 nan 0.000 0.496 156 L N 1.501 122.964 121.223 0.399 0.000 2.365 156 L HA 0.714 5.030 4.340 -0.041 0.000 0.273 156 L C 0.496 177.535 176.870 0.280 0.000 1.000 156 L CA -1.020 54.055 54.840 0.391 0.000 0.819 156 L CB 2.208 44.602 42.059 0.557 0.000 1.284 156 L HN 0.649 nan 8.230 nan 0.000 0.418 157 A N 3.103 125.969 122.820 0.075 0.000 2.310 157 A HA 0.839 5.134 4.320 -0.041 0.000 0.299 157 A C -1.152 176.125 177.584 -0.511 0.000 1.147 157 A CA -0.116 51.925 52.037 0.007 0.000 0.818 157 A CB 0.387 19.454 19.000 0.111 0.000 1.096 157 A HN 0.514 nan 8.150 nan 0.000 0.495 158 F N 0.831 120.752 119.950 -0.048 0.000 2.574 158 F HA 0.413 4.919 4.527 -0.036 0.000 0.313 158 F C -0.179 175.563 175.800 -0.097 0.000 1.130 158 F CA -0.700 57.222 58.000 -0.128 0.000 0.936 158 F CB 2.256 41.049 39.000 -0.345 0.000 1.219 158 F HN 0.321 nan 8.300 nan 0.000 0.445 159 V N 2.744 122.720 119.914 0.103 0.000 2.498 159 V HA 0.284 4.380 4.120 -0.041 0.000 0.279 159 V C -0.277 175.854 176.094 0.062 0.000 1.048 159 V CA -0.500 61.827 62.300 0.045 0.000 0.967 159 V CB 1.350 33.156 31.823 -0.028 0.000 0.988 159 V HN 0.760 nan 8.190 nan 0.000 0.473 160 Q N 2.668 122.455 119.800 -0.023 0.000 2.394 160 Q HA 0.231 4.547 4.340 -0.041 0.000 0.259 160 Q C 0.027 175.962 176.000 -0.108 0.000 1.021 160 Q CA -0.628 55.123 55.803 -0.088 0.000 0.805 160 Q CB 1.176 29.843 28.738 -0.118 0.000 1.226 160 Q HN 0.766 nan 8.270 nan 0.000 0.476 161 D N 3.269 123.574 120.400 -0.159 0.000 2.218 161 D HA -0.034 4.581 4.640 -0.041 0.000 0.204 161 D C 0.035 176.422 176.300 0.145 0.000 0.976 161 D CA 1.263 55.242 54.000 -0.034 0.000 0.853 161 D CB 0.091 40.925 40.800 0.057 0.000 0.939 161 D HN 0.433 nan 8.370 nan 0.000 0.481 162 F N -4.406 115.539 119.950 -0.008 0.000 2.773 162 F HA 0.343 4.842 4.527 -0.047 0.000 0.314 162 F C -2.250 173.543 175.800 -0.012 0.000 1.160 162 F CA -1.821 56.171 58.000 -0.014 0.000 0.920 162 F CB 0.506 39.491 39.000 -0.025 0.000 1.323 162 F HN -0.417 nan 8.300 nan 0.000 0.457 163 P HA -0.212 nan 4.420 nan 0.000 0.216 163 P C 0.429 177.752 177.300 0.038 0.000 1.157 163 P CA 2.014 65.166 63.100 0.087 0.000 0.880 163 P CB 0.184 31.948 31.700 0.107 0.000 0.791 164 E N -0.272 120.018 120.200 0.151 0.000 2.419 164 E HA 0.086 4.412 4.350 -0.041 0.000 0.190 164 E C 0.063 176.566 176.600 -0.161 0.000 1.040 164 E CA -0.070 56.371 56.400 0.067 0.000 0.900 164 E CB -0.577 29.228 29.700 0.175 0.000 1.054 164 E HN 0.350 nan 8.360 nan 0.000 0.462 165 D N 0.324 120.340 120.400 -0.641 0.000 2.304 165 D HA 0.025 4.640 4.640 -0.041 0.000 0.247 165 D C -0.460 175.609 176.300 -0.384 0.000 1.089 165 D CA -0.189 53.264 54.000 -0.911 0.000 0.910 165 D CB 1.018 40.909 40.800 -1.516 0.000 1.199 165 D HN -0.221 nan 8.370 nan 0.000 0.426 166 S N 2.386 117.938 115.700 -0.246 0.000 2.400 166 S HA 0.418 4.864 4.470 -0.041 0.000 0.295 166 S C 1.070 175.595 174.600 -0.125 0.000 1.113 166 S CA -0.216 57.922 58.200 -0.103 0.000 1.064 166 S CB 0.296 63.497 63.200 0.001 0.000 0.990 166 S HN 0.518 nan 8.310 nan 0.000 0.502 167 A N 5.057 127.700 122.820 -0.295 0.000 2.019 167 A HA -0.031 4.265 4.320 -0.041 0.000 0.219 167 A C 1.430 178.867 177.584 -0.246 0.000 1.164 167 A CA 0.977 52.841 52.037 -0.288 0.000 0.644 167 A CB -0.753 17.970 19.000 -0.461 0.000 0.805 167 A HN 0.998 nan 8.150 nan 0.000 0.449 168 W N -0.125 121.148 121.300 -0.045 0.000 2.387 168 W HA -0.001 4.639 4.660 -0.032 0.000 0.272 168 W C 2.399 179.032 176.519 0.190 0.000 1.224 168 W CA 0.792 58.120 57.345 -0.028 0.000 1.210 168 W CB -0.229 29.202 29.460 -0.048 0.000 1.125 168 W HN 0.362 nan 8.180 nan 0.000 0.572 169 A N -0.427 122.555 122.820 0.269 0.000 2.119 169 A HA -0.086 4.209 4.320 -0.041 0.000 0.217 169 A C 0.285 177.708 177.584 -0.269 0.000 1.153 169 A CA 0.902 52.972 52.037 0.056 0.000 0.692 169 A CB -0.882 18.048 19.000 -0.117 0.000 0.799 169 A HN 0.506 nan 8.150 nan 0.000 0.458 170 H N -0.296 118.886 119.070 0.187 0.000 2.429 170 H HA 0.247 4.792 4.556 -0.019 0.000 0.237 170 H C -2.751 172.600 175.328 0.038 0.000 1.378 170 H CA -2.055 54.047 56.048 0.089 0.000 1.170 170 H CB 0.343 30.136 29.762 0.051 0.000 1.671 170 H HN 0.304 nan 8.280 nan 0.000 0.541 171 P HA -0.024 nan 4.420 nan 0.000 0.271 171 P C 0.019 177.156 177.300 -0.271 0.000 1.218 171 P CA -0.140 62.782 63.100 -0.297 0.000 0.780 171 P CB 2.036 33.617 31.700 -0.199 0.000 0.901 172 V N 3.310 122.980 119.914 -0.406 0.000 2.259 172 V HA 0.152 4.248 4.120 -0.041 0.000 0.267 172 V C 0.655 176.606 176.094 -0.239 0.000 1.051 172 V CA -0.310 61.843 62.300 -0.244 0.000 0.830 172 V CB 0.269 31.953 31.823 -0.232 0.000 1.080 172 V HN 0.521 nan 8.190 nan 0.000 0.467 173 D N 3.030 123.294 120.400 -0.226 0.000 2.377 173 D HA 0.408 5.023 4.640 -0.041 0.000 0.245 173 D C 1.333 177.541 176.300 -0.153 0.000 1.196 173 D CA 1.370 55.151 54.000 -0.364 0.000 0.962 173 D CB 1.704 42.002 40.800 -0.838 0.000 1.127 173 D HN 0.739 nan 8.370 nan 0.000 0.471 174 G N 0.167 108.871 108.800 -0.161 0.000 2.162 174 G HA2 -0.225 3.711 3.960 -0.041 0.000 0.260 174 G HA3 -0.225 3.711 3.960 -0.041 0.000 0.260 174 G C -0.066 174.880 174.900 0.077 0.000 0.976 174 G CA 0.680 45.875 45.100 0.159 0.000 0.655 174 G HN 0.497 nan 8.290 nan 0.000 0.533 175 L N -0.109 121.126 121.223 0.020 0.000 2.436 175 L HA 0.908 5.223 4.340 -0.041 0.000 0.268 175 L C -0.763 176.189 176.870 0.136 0.000 0.974 175 L CA -1.052 53.805 54.840 0.028 0.000 0.826 175 L CB 2.417 44.413 42.059 -0.105 0.000 1.291 175 L HN 0.642 nan 8.230 nan 0.000 0.406 176 V N 4.176 124.203 119.914 0.188 0.000 2.969 176 V HA 0.964 5.059 4.120 -0.041 0.000 0.304 176 V C -1.194 174.961 176.094 0.102 0.000 1.192 176 V CA 0.336 62.781 62.300 0.242 0.000 0.962 176 V CB 2.023 34.028 31.823 0.304 0.000 1.045 176 V HN 1.198 nan 8.190 nan 0.000 0.428 177 A N 5.184 128.054 122.820 0.083 0.000 2.384 177 A HA 0.995 5.291 4.320 -0.041 0.000 0.312 177 A C -1.971 175.618 177.584 0.008 0.000 1.113 177 A CA -0.488 51.479 52.037 -0.116 0.000 0.779 177 A CB 1.698 20.550 19.000 -0.248 0.000 1.307 177 A HN 0.865 nan 8.150 nan 0.000 0.436 178 Y N 0.004 120.171 120.300 -0.222 0.000 2.376 178 Y HA 0.608 5.135 4.550 -0.039 0.000 0.340 178 Y C -0.300 175.486 175.900 -0.189 0.000 0.965 178 Y CA -1.674 56.274 58.100 -0.254 0.000 1.078 178 Y CB 1.760 40.028 38.460 -0.321 0.000 1.193 178 Y HN 0.356 nan 8.280 nan 0.000 0.452 179 V N 3.112 123.024 119.914 -0.003 0.000 2.638 179 V HA 0.243 4.339 4.120 -0.041 0.000 0.306 179 V C -0.652 175.428 176.094 -0.023 0.000 1.052 179 V CA -1.048 61.230 62.300 -0.036 0.000 0.885 179 V CB 2.261 34.045 31.823 -0.066 0.000 0.999 179 V HN 0.677 nan 8.190 nan 0.000 0.424 180 D N 3.448 123.837 120.400 -0.018 0.000 2.365 180 D HA 0.128 4.744 4.640 -0.041 0.000 0.237 180 D C 1.031 177.330 176.300 -0.001 0.000 1.190 180 D CA -0.191 53.803 54.000 -0.008 0.000 0.867 180 D CB 1.900 42.697 40.800 -0.005 0.000 1.050 180 D HN 0.468 nan 8.370 nan 0.000 0.491 181 V N 2.437 122.354 119.914 0.005 0.000 3.444 181 V HA -0.104 3.991 4.120 -0.041 0.000 0.271 181 V C 1.530 177.645 176.094 0.036 0.000 1.188 181 V CA 1.194 63.503 62.300 0.015 0.000 1.168 181 V CB -0.710 31.120 31.823 0.013 0.000 0.810 181 V HN 0.459 nan 8.190 nan 0.000 0.500 182 V N -0.679 119.260 119.914 0.042 0.000 2.627 182 V HA 0.070 4.166 4.120 -0.041 0.000 0.239 182 V C 2.601 178.714 176.094 0.033 0.000 1.077 182 V CA 1.269 63.605 62.300 0.061 0.000 1.103 182 V CB -0.852 31.018 31.823 0.078 0.000 0.802 182 V HN 0.570 nan 8.190 nan 0.000 0.482 183 S N -0.453 115.258 115.700 0.018 0.000 2.555 183 S HA -0.006 4.439 4.470 -0.041 0.000 0.230 183 S C 1.002 175.606 174.600 0.007 0.000 0.978 183 S CA 0.576 58.782 58.200 0.009 0.000 0.934 183 S CB -0.774 62.428 63.200 0.004 0.000 0.766 183 S HN 0.639 nan 8.310 nan 0.000 0.533 184 K N 1.531 121.936 120.400 0.008 0.000 3.257 184 K HA -0.180 4.116 4.320 -0.041 0.000 0.270 184 K C -0.384 176.211 176.600 -0.008 0.000 0.984 184 K CA 1.143 57.431 56.287 0.002 0.000 0.739 184 K CB -1.563 30.942 32.500 0.008 0.000 1.351 184 K HN 0.947 nan 8.250 nan 0.000 0.463 185 E N -1.460 118.732 120.200 -0.013 0.000 2.340 185 E HA 0.398 4.723 4.350 -0.041 0.000 0.273 185 E C -0.651 175.929 176.600 -0.033 0.000 0.891 185 E CA -1.202 55.186 56.400 -0.020 0.000 0.757 185 E CB 1.816 31.509 29.700 -0.012 0.000 1.231 185 E HN -0.052 nan 8.360 nan 0.000 0.439 186 V N 3.214 123.102 119.914 -0.045 0.000 2.370 186 V HA 0.018 4.113 4.120 -0.041 0.000 0.257 186 V C 1.543 177.608 176.094 -0.048 0.000 1.064 186 V CA 0.555 62.816 62.300 -0.064 0.000 0.975 186 V CB 0.233 32.006 31.823 -0.084 0.000 1.067 186 V HN 0.971 nan 8.190 nan 0.000 0.485 187 T N 2.488 117.020 114.554 -0.037 0.000 2.951 187 T HA 0.019 4.344 4.350 -0.041 0.000 0.268 187 T C 0.811 175.474 174.700 -0.062 0.000 1.073 187 T CA 0.652 62.736 62.100 -0.026 0.000 1.134 187 T CB 0.327 69.197 68.868 0.003 0.000 0.884 187 T HN 0.528 nan 8.240 nan 0.000 0.479 188 R N -0.979 119.446 120.500 -0.125 0.000 2.687 188 R HA 0.554 4.870 4.340 -0.041 0.000 0.265 188 R C -2.538 173.588 176.300 -0.290 0.000 1.048 188 R CA -0.615 55.345 56.100 -0.232 0.000 0.884 188 R CB 2.116 32.185 30.300 -0.385 0.000 1.258 188 R HN 0.091 nan 8.270 nan 0.000 0.469 189 V N 4.799 124.589 119.914 -0.207 0.000 2.569 189 V HA 0.510 4.605 4.120 -0.041 0.000 0.301 189 V C -0.498 175.524 176.094 -0.120 0.000 1.044 189 V CA -0.580 61.659 62.300 -0.102 0.000 0.874 189 V CB 1.884 33.747 31.823 0.067 0.000 1.002 189 V HN 0.554 nan 8.190 nan 0.000 0.424 190 I N 4.001 124.492 120.570 -0.133 0.000 2.406 190 I HA 0.505 4.650 4.170 -0.041 0.000 0.290 190 I C -0.969 175.144 176.117 -0.007 0.000 0.999 190 I CA -0.286 60.965 61.300 -0.083 0.000 1.124 190 I CB 1.972 39.904 38.000 -0.113 0.000 1.289 190 I HN 0.508 nan 8.210 nan 0.000 0.441 191 D N 4.494 124.895 120.400 0.001 0.000 2.469 191 D HA 0.171 4.787 4.640 -0.041 0.000 0.251 191 D C 0.800 177.117 176.300 0.028 0.000 1.173 191 D CA -0.299 53.707 54.000 0.009 0.000 0.882 191 D CB 1.660 42.448 40.800 -0.019 0.000 1.129 191 D HN 0.649 nan 8.370 nan 0.000 0.549 192 T N 0.281 114.874 114.554 0.065 0.000 3.100 192 T HA 0.445 4.771 4.350 -0.041 0.000 0.253 192 T C 0.972 175.711 174.700 0.066 0.000 1.118 192 T CA 0.318 62.465 62.100 0.079 0.000 1.058 192 T CB 0.317 69.261 68.868 0.127 0.000 0.953 192 T HN 0.571 nan 8.240 nan 0.000 0.515 193 G N 0.132 108.970 108.800 0.064 0.000 2.312 193 G HA2 0.300 4.236 3.960 -0.041 0.000 0.347 193 G HA3 0.300 4.236 3.960 -0.041 0.000 0.347 193 G C -1.193 173.725 174.900 0.030 0.000 1.564 193 G CA -0.789 44.308 45.100 -0.005 0.000 0.981 193 G HN 0.251 nan 8.290 nan 0.000 0.678 194 V N 0.967 120.849 119.914 -0.053 0.000 2.637 194 V HA 0.573 4.668 4.120 -0.041 0.000 0.296 194 V C -0.025 176.013 176.094 -0.094 0.000 1.046 194 V CA 0.418 62.705 62.300 -0.022 0.000 1.066 194 V CB 0.699 32.487 31.823 -0.059 0.000 0.968 194 V HN 0.544 nan 8.190 nan 0.000 0.483 195 F N 4.101 124.014 119.950 -0.061 0.000 2.563 195 F HA 0.554 5.049 4.527 -0.053 0.000 0.316 195 F C -2.054 173.717 175.800 -0.048 0.000 1.076 195 F CA -2.336 55.633 58.000 -0.052 0.000 0.921 195 F CB 1.841 40.809 39.000 -0.054 0.000 1.209 195 F HN 0.332 nan 8.300 nan 0.000 0.462 196 P HA 0.141 nan 4.420 nan 0.000 0.268 196 P C -0.942 176.411 177.300 0.089 0.000 1.204 196 P CA -0.168 62.980 63.100 0.079 0.000 0.768 196 P CB 0.583 32.321 31.700 0.064 0.000 0.842 197 V N 6.626 126.571 119.914 0.052 0.000 2.408 197 V HA 0.161 4.256 4.120 -0.041 0.000 0.267 197 V C -1.849 174.296 176.094 0.085 0.000 1.047 197 V CA -1.522 60.807 62.300 0.048 0.000 0.937 197 V CB 0.433 32.264 31.823 0.013 0.000 0.999 197 V HN 0.580 nan 8.190 nan 0.000 0.472 198 P HA 0.015 nan 4.420 nan 0.000 0.261 198 P C 0.453 177.904 177.300 0.252 0.000 1.173 198 P CA 0.411 63.584 63.100 0.122 0.000 0.760 198 P CB 0.790 32.522 31.700 0.053 0.000 0.783 199 A N 3.587 126.523 122.820 0.192 0.000 1.956 199 A HA -0.010 4.286 4.320 -0.041 0.000 0.212 199 A C 0.818 178.587 177.584 0.309 0.000 1.188 199 A CA 0.473 52.640 52.037 0.216 0.000 0.675 199 A CB -0.468 18.602 19.000 0.117 0.000 0.845 199 A HN 0.556 nan 8.150 nan 0.000 0.455 200 E N 0.711 121.044 120.200 0.222 0.000 2.442 200 E HA 0.169 4.494 4.350 -0.041 0.000 0.262 200 E C -0.247 176.525 176.600 0.287 0.000 1.004 200 E CA 0.131 56.652 56.400 0.201 0.000 0.928 200 E CB 0.265 30.036 29.700 0.119 0.000 0.937 200 E HN 0.773 nan 8.360 nan 0.000 0.446 201 H N -0.557 118.672 119.070 0.266 0.000 2.505 201 H HA 0.459 4.988 4.556 -0.045 0.000 0.355 201 H C 0.483 175.920 175.328 0.182 0.000 1.179 201 H CA -0.753 55.421 56.048 0.211 0.000 1.343 201 H CB 1.122 31.020 29.762 0.227 0.000 1.501 201 H HN 0.477 nan 8.280 nan 0.000 0.569 202 G N 1.532 110.476 108.800 0.240 0.000 4.547 202 G HA2 0.050 3.986 3.960 -0.041 0.000 0.301 202 G HA3 0.050 3.986 3.960 -0.041 0.000 0.301 202 G C -0.639 174.244 174.900 -0.028 0.000 1.240 202 G CA -0.673 44.449 45.100 0.036 0.000 0.970 202 G HN 0.630 nan 8.290 nan 0.000 0.574 203 N N 1.739 120.583 118.700 0.240 0.000 2.663 203 N HA 0.105 4.821 4.740 -0.041 0.000 0.250 203 N C 0.816 176.262 175.510 -0.107 0.000 1.129 203 N CA -0.455 52.552 53.050 -0.072 0.000 0.995 203 N CB 0.543 39.024 38.487 -0.010 0.000 1.324 203 N HN 0.558 nan 8.380 nan 0.000 0.512 204 Y N -0.699 119.600 120.300 -0.002 0.000 2.716 204 Y HA 0.027 4.554 4.550 -0.040 0.000 0.302 204 Y C 1.279 177.180 175.900 0.001 0.000 1.160 204 Y CA 0.174 58.254 58.100 -0.035 0.000 1.362 204 Y CB -0.399 37.998 38.460 -0.104 0.000 0.988 204 Y HN 0.116 nan 8.280 nan 0.000 0.546 205 T N -1.042 113.480 114.554 -0.055 0.000 3.023 205 T HA -0.002 4.323 4.350 -0.041 0.000 0.253 205 T C -0.035 174.674 174.700 0.016 0.000 1.038 205 T CA -0.046 62.061 62.100 0.012 0.000 0.962 205 T CB -0.131 68.722 68.868 -0.024 0.000 1.018 205 T HN 0.252 nan 8.240 nan 0.000 0.521 206 D N 2.200 122.617 120.400 0.028 0.000 2.339 206 D HA 0.156 4.771 4.640 -0.041 0.000 0.256 206 D C -1.786 174.558 176.300 0.073 0.000 1.214 206 D CA -2.341 51.688 54.000 0.048 0.000 0.877 206 D CB 1.780 42.627 40.800 0.078 0.000 1.111 206 D HN -0.016 nan 8.370 nan 0.000 0.478 207 P HA -0.175 nan 4.420 nan 0.000 0.217 207 P C 1.048 178.384 177.300 0.059 0.000 1.148 207 P CA 1.021 64.147 63.100 0.044 0.000 0.828 207 P CB 0.229 31.945 31.700 0.027 0.000 0.783 208 E N -0.843 119.404 120.200 0.078 0.000 2.153 208 E HA -0.203 4.122 4.350 -0.041 0.000 0.194 208 E C 1.665 178.331 176.600 0.110 0.000 0.988 208 E CA 0.904 57.363 56.400 0.099 0.000 0.811 208 E CB -0.380 29.401 29.700 0.136 0.000 0.746 208 E HN 0.095 nan 8.360 nan 0.000 0.466 209 L N 0.323 121.627 121.223 0.135 0.000 2.253 209 L HA 0.006 4.322 4.340 -0.041 0.000 0.205 209 L C 2.474 179.381 176.870 0.062 0.000 1.078 209 L CA 1.975 56.870 54.840 0.091 0.000 0.805 209 L CB -0.429 41.696 42.059 0.110 0.000 0.963 209 L HN 0.268 nan 8.230 nan 0.000 0.459 210 T N -2.693 111.901 114.554 0.067 0.000 2.942 210 T HA 0.365 4.690 4.350 -0.041 0.000 0.265 210 T C 1.196 175.919 174.700 0.038 0.000 1.062 210 T CA 0.555 62.685 62.100 0.050 0.000 1.139 210 T CB -0.767 68.132 68.868 0.053 0.000 0.883 210 T HN 0.731 nan 8.240 nan 0.000 0.468 211 G N 1.831 110.655 108.800 0.040 0.000 2.760 211 G HA2 -0.021 3.915 3.960 -0.041 0.000 0.246 211 G HA3 -0.021 3.915 3.960 -0.041 0.000 0.246 211 G C -2.907 172.008 174.900 0.027 0.000 1.359 211 G CA -0.736 44.382 45.100 0.031 0.000 0.861 211 G HN 0.533 nan 8.290 nan 0.000 0.541 212 P HA 0.436 nan 4.420 nan 0.000 0.268 212 P C 0.196 177.505 177.300 0.016 0.000 1.204 212 P CA -0.505 62.606 63.100 0.017 0.000 0.768 212 P CB 0.507 32.216 31.700 0.014 0.000 0.842 213 L N 3.848 125.081 121.223 0.016 0.000 2.467 213 L HA 0.137 4.453 4.340 -0.041 0.000 0.270 213 L C 1.211 178.087 176.870 0.010 0.000 1.205 213 L CA 0.243 55.091 54.840 0.014 0.000 0.828 213 L CB -0.219 41.849 42.059 0.014 0.000 1.101 213 L HN 0.334 nan 8.230 nan 0.000 0.479 214 R N 0.587 121.092 120.500 0.008 0.000 2.590 214 R HA 0.188 4.503 4.340 -0.041 0.000 0.274 214 R C 0.504 176.807 176.300 0.005 0.000 1.061 214 R CA 0.577 56.681 56.100 0.005 0.000 1.081 214 R CB 0.161 30.463 30.300 0.003 0.000 0.984 214 R HN 0.775 nan 8.270 nan 0.000 0.448 215 T N -3.722 110.834 114.554 0.004 0.000 3.084 215 T HA -0.008 4.318 4.350 -0.041 0.000 0.270 215 T C 1.311 176.013 174.700 0.002 0.000 1.008 215 T CA 0.017 62.119 62.100 0.004 0.000 0.900 215 T CB 0.354 69.224 68.868 0.004 0.000 1.084 215 T HN 0.668 nan 8.240 nan 0.000 0.538 216 T N -0.430 114.125 114.554 0.001 0.000 3.067 216 T HA 0.137 4.462 4.350 -0.041 0.000 0.257 216 T C 0.758 175.458 174.700 -0.001 0.000 1.105 216 T CA -0.045 62.054 62.100 -0.000 0.000 1.104 216 T CB -0.348 68.519 68.868 -0.001 0.000 0.925 216 T HN 0.415 nan 8.240 nan 0.000 0.498 217 Q N 1.760 121.560 119.800 -0.001 0.000 2.323 217 Q HA 0.376 4.692 4.340 -0.041 0.000 0.257 217 Q C -0.781 175.219 176.000 -0.001 0.000 1.022 217 Q CA -0.274 55.528 55.803 -0.002 0.000 0.919 217 Q CB 0.850 29.586 28.738 -0.002 0.000 1.220 217 Q HN 0.150 nan 8.270 nan 0.000 0.427 218 K N 3.359 123.759 120.400 -0.001 0.000 2.118 218 K HA 0.331 4.626 4.320 -0.041 0.000 0.264 218 K C -2.103 174.498 176.600 0.001 0.000 1.000 218 K CA -1.535 54.752 56.287 0.000 0.000 0.929 218 K CB 0.317 32.816 32.500 -0.001 0.000 1.021 218 K HN 0.400 nan 8.250 nan 0.000 0.463 219 P HA 0.185 nan 4.420 nan 0.000 0.271 219 P C -0.732 176.571 177.300 0.005 0.000 1.218 219 P CA -0.019 63.083 63.100 0.004 0.000 0.780 219 P CB 0.582 32.285 31.700 0.006 0.000 0.901 220 I N 1.430 122.004 120.570 0.007 0.000 2.390 220 I HA 0.115 4.261 4.170 -0.041 0.000 0.283 220 I C 0.008 176.133 176.117 0.013 0.000 1.016 220 I CA -0.408 60.898 61.300 0.009 0.000 1.151 220 I CB 1.311 39.316 38.000 0.008 0.000 1.293 220 I HN 0.189 nan 8.210 nan 0.000 0.458 221 S N 7.367 123.076 115.700 0.015 0.000 2.452 221 S HA 0.559 5.005 4.470 -0.041 0.000 0.284 221 S C -0.116 174.499 174.600 0.025 0.000 1.171 221 S CA -0.404 57.807 58.200 0.018 0.000 1.064 221 S CB 0.875 64.085 63.200 0.017 0.000 0.967 221 S HN 0.377 nan 8.310 nan 0.000 0.484 222 I N 3.924 124.512 120.570 0.030 0.000 2.382 222 I HA 0.346 4.491 4.170 -0.041 0.000 0.285 222 I C 0.241 176.384 176.117 0.042 0.000 1.007 222 I CA -0.292 61.033 61.300 0.042 0.000 1.142 222 I CB 1.394 39.425 38.000 0.052 0.000 1.289 222 I HN 0.623 nan 8.210 nan 0.000 0.453 223 T N 1.864 116.444 114.554 0.044 0.000 2.901 223 T HA 0.526 4.852 4.350 -0.041 0.000 0.293 223 T C -0.676 174.052 174.700 0.048 0.000 1.084 223 T CA -0.914 61.211 62.100 0.041 0.000 1.008 223 T CB 2.296 71.183 68.868 0.030 0.000 1.170 223 T HN 0.467 nan 8.240 nan 0.000 0.509 224 Q N 1.362 121.188 119.800 0.042 0.000 2.771 224 Q HA 0.256 4.571 4.340 -0.041 0.000 0.247 224 Q C -1.943 174.072 176.000 0.025 0.000 0.986 224 Q CA -1.990 53.838 55.803 0.041 0.000 0.713 224 Q CB 1.999 30.765 28.738 0.048 0.000 1.241 224 Q HN 0.572 nan 8.270 nan 0.000 0.488 225 P HA -0.193 nan 4.420 nan 0.000 0.220 225 P C 0.059 177.365 177.300 0.010 0.000 1.144 225 P CA 1.344 64.454 63.100 0.016 0.000 0.800 225 P CB 0.481 32.191 31.700 0.016 0.000 0.772 226 E N -0.551 119.655 120.200 0.010 0.000 2.624 226 E HA 0.389 4.714 4.350 -0.041 0.000 0.210 226 E C 0.729 177.322 176.600 -0.011 0.000 0.997 226 E CA -0.112 56.289 56.400 0.002 0.000 0.999 226 E CB 0.398 30.101 29.700 0.005 0.000 1.040 226 E HN 0.187 nan 8.360 nan 0.000 0.469 227 G N 3.064 111.855 108.800 -0.015 0.000 2.829 227 G HA2 -0.201 3.735 3.960 -0.041 0.000 0.628 227 G HA3 -0.201 3.735 3.960 -0.041 0.000 0.628 227 G C -2.678 172.183 174.900 -0.065 0.000 1.412 227 G CA -0.886 44.185 45.100 -0.048 0.000 0.864 227 G HN 0.031 nan 8.290 nan 0.000 0.544 228 P HA 0.356 nan 4.420 nan 0.000 0.274 228 P C 0.599 177.804 177.300 -0.159 0.000 1.246 228 P CA 0.086 63.055 63.100 -0.219 0.000 0.795 228 P CB 1.230 32.499 31.700 -0.719 0.000 1.006 229 S N -0.269 115.473 115.700 0.070 0.000 2.558 229 S HA 0.122 4.567 4.470 -0.041 0.000 0.217 229 S C 0.710 175.491 174.600 0.302 0.000 0.975 229 S CA 0.082 58.392 58.200 0.184 0.000 0.912 229 S CB -0.740 62.630 63.200 0.283 0.000 0.776 229 S HN 0.557 nan 8.310 nan 0.000 0.526 230 F N 2.111 122.260 119.950 0.332 0.000 2.403 230 F HA 0.735 5.237 4.527 -0.041 0.000 0.326 230 F C 0.188 176.079 175.800 0.153 0.000 1.081 230 F CA -1.066 57.111 58.000 0.295 0.000 1.041 230 F CB 0.382 39.515 39.000 0.222 0.000 1.234 230 F HN -0.143 nan 8.300 nan 0.000 0.503 231 T N -0.168 114.569 114.554 0.306 0.000 2.863 231 T HA 0.723 5.048 4.350 -0.041 0.000 0.285 231 T C -1.125 173.726 174.700 0.252 0.000 1.009 231 T CA -0.806 61.401 62.100 0.180 0.000 0.989 231 T CB 1.449 70.399 68.868 0.136 0.000 1.004 231 T HN 0.670 nan 8.240 nan 0.000 0.455 232 V N 3.615 123.651 119.914 0.203 0.000 2.409 232 V HA 0.705 4.800 4.120 -0.041 0.000 0.291 232 V C 0.409 176.598 176.094 0.159 0.000 1.020 232 V CA -0.643 61.775 62.300 0.196 0.000 0.848 232 V CB 1.158 33.099 31.823 0.195 0.000 0.990 232 V HN 1.274 nan 8.190 nan 0.000 0.430 233 T N 0.115 114.782 114.554 0.188 0.000 2.916 233 T HA 0.683 5.008 4.350 -0.041 0.000 0.292 233 T C 0.761 175.552 174.700 0.152 0.000 1.055 233 T CA -0.098 62.094 62.100 0.152 0.000 1.009 233 T CB 1.768 70.722 68.868 0.142 0.000 1.118 233 T HN 1.717 nan 8.240 nan 0.000 0.497 234 G N -0.062 108.798 108.800 0.099 0.000 2.225 234 G HA2 0.117 4.053 3.960 -0.041 0.000 0.267 234 G HA3 0.117 4.053 3.960 -0.041 0.000 0.267 234 G C 1.333 176.292 174.900 0.098 0.000 1.024 234 G CA 0.936 46.089 45.100 0.088 0.000 0.784 234 G HN 2.390 nan 8.290 nan 0.000 0.507 235 G N -0.060 108.797 108.800 0.094 0.000 2.609 235 G HA2 -0.308 3.628 3.960 -0.041 0.000 0.235 235 G HA3 -0.308 3.628 3.960 -0.041 0.000 0.235 235 G C 0.926 175.884 174.900 0.097 0.000 1.177 235 G CA 1.334 46.486 45.100 0.087 0.000 0.707 235 G HN 2.230 nan 8.290 nan 0.000 0.513 236 N N -0.424 118.346 118.700 0.116 0.000 2.217 236 N HA 0.111 4.826 4.740 -0.041 0.000 0.239 236 N C -0.305 175.272 175.510 0.111 0.000 1.330 236 N CA 0.091 53.201 53.050 0.101 0.000 0.838 236 N CB -0.366 38.177 38.487 0.093 0.000 1.287 236 N HN 0.590 nan 8.380 nan 0.000 0.498 237 H N 1.712 120.824 119.070 0.070 0.000 2.594 237 H HA 0.301 4.833 4.556 -0.041 0.000 0.304 237 H C -0.700 174.678 175.328 0.085 0.000 1.068 237 H CA -0.316 55.772 56.048 0.067 0.000 1.308 237 H CB 0.916 30.719 29.762 0.068 0.000 1.409 237 H HN -0.016 nan 8.280 nan 0.000 0.460 238 I N 4.570 124.906 120.570 -0.389 0.000 2.392 238 I HA 0.210 4.355 4.170 -0.041 0.000 0.295 238 I C 0.290 176.304 176.117 -0.173 0.000 0.985 238 I CA -0.510 60.690 61.300 -0.166 0.000 1.221 238 I CB 1.511 39.425 38.000 -0.143 0.000 1.366 238 I HN 0.557 nan 8.210 nan 0.000 0.467 239 E N 5.385 125.647 120.200 0.104 0.000 2.216 239 E HA 0.297 4.622 4.350 -0.041 0.000 0.260 239 E C -1.735 175.068 176.600 0.338 0.000 0.880 239 E CA -0.429 56.082 56.400 0.184 0.000 0.765 239 E CB 2.767 32.585 29.700 0.197 0.000 1.174 239 E HN 0.632 nan 8.360 nan 0.000 0.417 240 W N 3.855 125.232 121.300 0.128 0.000 3.326 240 W HA 0.148 4.784 4.660 -0.040 0.000 0.333 240 W C -0.467 176.158 176.519 0.177 0.000 1.108 240 W CA -0.422 57.024 57.345 0.167 0.000 1.245 240 W CB 0.921 30.478 29.460 0.161 0.000 1.331 240 W HN 0.313 nan 8.180 nan 0.000 0.464 241 E N 6.228 126.121 120.200 -0.511 0.000 2.149 241 E HA -0.306 4.020 4.350 -0.041 0.000 0.191 241 E C 0.521 176.824 176.600 -0.495 0.000 1.384 241 E CA 1.741 57.745 56.400 -0.659 0.000 0.698 241 E CB -0.813 28.086 29.700 -1.336 0.000 1.086 241 E HN 0.765 nan 8.360 nan 0.000 0.338 242 K N -4.415 115.721 120.400 -0.440 0.000 3.578 242 K HA -0.237 4.058 4.320 -0.041 0.000 0.270 242 K C 0.324 176.496 176.600 -0.713 0.000 1.003 242 K CA 1.851 57.689 56.287 -0.748 0.000 1.128 242 K CB -1.737 29.874 32.500 -1.483 0.000 1.341 242 K HN 0.329 nan 8.250 nan 0.000 0.499 243 W N 1.734 122.848 121.300 -0.310 0.000 2.237 243 W HA 0.449 5.085 4.660 -0.040 0.000 0.335 243 W C 0.877 177.391 176.519 -0.008 0.000 1.230 243 W CA 0.005 57.321 57.345 -0.048 0.000 1.253 243 W CB 1.127 30.705 29.460 0.196 0.000 1.129 243 W HN 0.042 nan 8.180 nan 0.000 0.590 244 S N 3.726 119.607 115.700 0.301 0.000 2.572 244 S HA 0.801 5.247 4.470 -0.041 0.000 0.274 244 S C -1.147 173.483 174.600 0.050 0.000 1.150 244 S CA -0.751 57.521 58.200 0.120 0.000 0.944 244 S CB 0.109 63.403 63.200 0.157 0.000 1.071 244 S HN 0.572 nan 8.310 nan 0.000 0.479 245 L N 1.086 122.208 121.223 -0.170 0.000 2.999 245 L HA 0.773 5.089 4.340 -0.041 0.000 0.274 245 L C -2.092 174.635 176.870 -0.239 0.000 1.044 245 L CA -1.060 53.685 54.840 -0.159 0.000 0.943 245 L CB 1.666 43.638 42.059 -0.146 0.000 1.522 245 L HN 0.397 nan 8.230 nan 0.000 0.400 246 D N 1.317 121.649 120.400 -0.113 0.000 2.502 246 D HA 0.478 5.093 4.640 -0.041 0.000 0.249 246 D C -0.860 175.443 176.300 0.006 0.000 1.092 246 D CA -0.252 53.746 54.000 -0.005 0.000 0.839 246 D CB 3.214 44.065 40.800 0.085 0.000 1.264 246 D HN 0.371 nan 8.370 nan 0.000 0.511 247 V N 2.260 122.177 119.914 0.006 0.000 2.320 247 V HA 0.474 4.569 4.120 -0.041 0.000 0.265 247 V C 0.970 177.117 176.094 0.088 0.000 1.048 247 V CA -0.398 61.895 62.300 -0.011 0.000 0.865 247 V CB 1.012 32.810 31.823 -0.042 0.000 1.043 247 V HN 0.587 nan 8.190 nan 0.000 0.474 248 G N 3.080 111.960 108.800 0.133 0.000 2.511 248 G HA2 0.704 4.639 3.960 -0.041 0.000 0.316 248 G HA3 0.704 4.639 3.960 -0.041 0.000 0.316 248 G C -1.489 173.495 174.900 0.141 0.000 1.210 248 G CA -0.481 44.737 45.100 0.197 0.000 0.969 248 G HN 0.484 nan 8.290 nan 0.000 0.492 249 F N -0.099 119.828 119.950 -0.038 0.000 2.588 249 F HA 0.493 4.996 4.527 -0.041 0.000 0.318 249 F C -1.450 174.291 175.800 -0.098 0.000 1.155 249 F CA -0.915 57.011 58.000 -0.123 0.000 0.967 249 F CB 2.489 41.402 39.000 -0.144 0.000 1.236 249 F HN 0.532 nan 8.300 nan 0.000 0.455 250 D N 3.834 123.825 120.400 -0.682 0.000 2.481 250 D HA 0.309 4.924 4.640 -0.041 0.000 0.244 250 D C 0.247 176.195 176.300 -0.586 0.000 1.057 250 D CA -0.583 53.181 54.000 -0.394 0.000 0.848 250 D CB 2.417 43.107 40.800 -0.183 0.000 1.388 250 D HN 0.389 nan 8.370 nan 0.000 0.475 251 V N 4.365 124.131 119.914 -0.247 0.000 2.594 251 V HA -0.133 3.962 4.120 -0.041 0.000 0.253 251 V C 1.970 177.990 176.094 -0.124 0.000 1.069 251 V CA 2.142 64.344 62.300 -0.164 0.000 1.082 251 V CB -0.382 31.381 31.823 -0.100 0.000 0.680 251 V HN 0.640 nan 8.190 nan 0.000 0.469 252 R N -0.522 119.961 120.500 -0.028 0.000 2.055 252 R HA -0.025 4.291 4.340 -0.041 0.000 0.221 252 R C 2.269 178.493 176.300 -0.128 0.000 1.154 252 R CA 1.530 57.596 56.100 -0.056 0.000 0.975 252 R CB -0.244 29.979 30.300 -0.130 0.000 0.869 252 R HN 0.582 nan 8.270 nan 0.000 0.437 253 E N -0.432 119.676 120.200 -0.153 0.000 2.216 253 E HA 0.101 4.426 4.350 -0.041 0.000 0.192 253 E C 0.763 177.164 176.600 -0.331 0.000 0.988 253 E CA 0.461 56.767 56.400 -0.156 0.000 0.834 253 E CB 0.353 30.007 29.700 -0.077 0.000 0.772 253 E HN 0.579 nan 8.360 nan 0.000 0.479 254 G N 0.630 109.013 108.800 -0.695 0.000 2.488 254 G HA2 -0.289 3.646 3.960 -0.041 0.000 0.237 254 G HA3 -0.289 3.646 3.960 -0.041 0.000 0.237 254 G C -0.161 174.074 174.900 -1.108 0.000 1.209 254 G CA -0.379 43.952 45.100 -1.282 0.000 0.929 254 G HN 0.103 nan 8.290 nan 0.000 0.578 255 V N 0.705 120.156 119.914 -0.771 0.000 2.540 255 V HA 0.397 4.493 4.120 -0.041 0.000 0.297 255 V C 0.797 176.807 176.094 -0.139 0.000 1.024 255 V CA 0.286 62.483 62.300 -0.171 0.000 1.105 255 V CB 0.871 32.804 31.823 0.184 0.000 0.938 255 V HN 0.883 nan 8.190 nan 0.000 0.482 256 V N 6.892 126.671 119.914 -0.226 0.000 2.604 256 V HA 0.481 4.577 4.120 -0.041 0.000 0.305 256 V C -0.203 175.570 176.094 -0.535 0.000 1.043 256 V CA -0.651 61.421 62.300 -0.379 0.000 0.888 256 V CB 1.961 33.576 31.823 -0.347 0.000 0.995 256 V HN 0.612 nan 8.190 nan 0.000 0.429 257 L N 5.040 125.827 121.223 -0.727 0.000 2.295 257 L HA 0.631 4.947 4.340 -0.041 0.000 0.285 257 L C -0.440 176.021 176.870 -0.681 0.000 1.035 257 L CA -0.564 53.880 54.840 -0.660 0.000 0.806 257 L CB 1.071 42.670 42.059 -0.768 0.000 1.214 257 L HN 0.616 nan 8.230 nan 0.000 0.426 258 H N 3.501 122.401 119.070 -0.285 0.000 2.569 258 H HA 0.289 4.821 4.556 -0.041 0.000 0.357 258 H C -0.177 174.946 175.328 -0.342 0.000 1.153 258 H CA -0.742 55.111 56.048 -0.324 0.000 1.193 258 H CB 1.883 31.399 29.762 -0.411 0.000 1.602 258 H HN 0.563 nan 8.280 nan 0.000 0.523 259 N N 1.263 119.826 118.700 -0.227 0.000 2.705 259 N HA -0.197 4.519 4.740 -0.041 0.000 0.255 259 N C -0.360 175.090 175.510 -0.101 0.000 1.008 259 N CA 0.488 53.417 53.050 -0.201 0.000 0.742 259 N CB -1.284 37.038 38.487 -0.275 0.000 0.906 259 N HN 0.541 nan 8.380 nan 0.000 0.541 260 I N 0.564 121.077 120.570 -0.094 0.000 2.505 260 I HA 0.255 4.401 4.170 -0.041 0.000 0.287 260 I C 1.002 177.179 176.117 0.099 0.000 1.104 260 I CA 0.175 61.483 61.300 0.014 0.000 1.387 260 I CB 0.535 38.515 38.000 -0.033 0.000 1.404 260 I HN 0.306 nan 8.210 nan 0.000 0.528 261 A N 6.888 129.834 122.820 0.210 0.000 2.527 261 A HA 0.806 5.102 4.320 -0.041 0.000 0.293 261 A C -1.576 176.170 177.584 0.272 0.000 1.117 261 A CA -0.451 51.702 52.037 0.193 0.000 0.723 261 A CB 1.605 20.670 19.000 0.108 0.000 1.313 261 A HN 0.517 nan 8.150 nan 0.000 0.411 262 F N 0.357 120.320 119.950 0.021 0.000 2.539 262 F HA 0.572 5.075 4.527 -0.041 0.000 0.318 262 F C 0.359 176.182 175.800 0.038 0.000 1.135 262 F CA -0.399 57.550 58.000 -0.085 0.000 0.915 262 F CB 1.797 40.692 39.000 -0.175 0.000 1.176 262 F HN 0.604 nan 8.300 nan 0.000 0.440 263 R N 3.993 124.425 120.500 -0.114 0.000 2.429 263 R HA 0.092 4.408 4.340 -0.041 0.000 0.302 263 R C -0.933 175.450 176.300 0.139 0.000 1.268 263 R CA -0.163 55.940 56.100 0.004 0.000 1.090 263 R CB -0.260 29.989 30.300 -0.086 0.000 1.102 263 R HN 0.520 nan 8.270 nan 0.000 0.522 264 D N 3.691 124.281 120.400 0.317 0.000 2.453 264 D HA 0.185 4.801 4.640 -0.041 0.000 0.223 264 D C 1.098 177.497 176.300 0.165 0.000 1.183 264 D CA 0.990 55.206 54.000 0.361 0.000 0.933 264 D CB 0.615 41.636 40.800 0.368 0.000 1.038 264 D HN 0.722 nan 8.370 nan 0.000 0.513 265 G N 5.072 113.941 108.800 0.116 0.000 2.815 265 G HA2 -0.431 3.505 3.960 -0.041 0.000 0.326 265 G HA3 -0.431 3.505 3.960 -0.041 0.000 0.326 265 G C 0.974 175.897 174.900 0.039 0.000 1.191 265 G CA 0.798 45.933 45.100 0.060 0.000 0.965 265 G HN 0.590 nan 8.290 nan 0.000 0.564 266 D N 1.690 122.111 120.400 0.035 0.000 2.240 266 D HA 0.075 4.691 4.640 -0.041 0.000 0.206 266 D C 1.374 177.689 176.300 0.024 0.000 0.963 266 D CA 0.773 54.786 54.000 0.022 0.000 0.863 266 D CB -0.015 40.793 40.800 0.014 0.000 0.973 266 D HN 0.628 nan 8.370 nan 0.000 0.501 267 R N 0.133 120.653 120.500 0.034 0.000 2.474 267 R HA 0.498 4.813 4.340 -0.041 0.000 0.295 267 R C -0.690 175.646 176.300 0.061 0.000 0.980 267 R CA -0.930 55.190 56.100 0.033 0.000 0.934 267 R CB 1.679 31.987 30.300 0.013 0.000 1.101 267 R HN 0.008 nan 8.270 nan 0.000 0.469 268 L N 3.093 124.347 121.223 0.051 0.000 2.268 268 L HA 0.311 4.626 4.340 -0.041 0.000 0.289 268 L C -0.604 176.312 176.870 0.076 0.000 1.064 268 L CA 0.014 54.896 54.840 0.069 0.000 0.824 268 L CB 0.326 42.415 42.059 0.051 0.000 1.202 268 L HN 0.479 nan 8.230 nan 0.000 0.433 269 R N 6.197 126.779 120.500 0.137 0.000 2.255 269 R HA 0.463 4.779 4.340 -0.041 0.000 0.326 269 R C -2.352 174.048 176.300 0.167 0.000 0.986 269 R CA -1.769 54.419 56.100 0.145 0.000 0.847 269 R CB 0.757 31.170 30.300 0.189 0.000 1.111 269 R HN 0.463 nan 8.270 nan 0.000 0.452 270 P HA 0.120 nan 4.420 nan 0.000 0.272 270 P C -0.056 177.238 177.300 -0.010 0.000 1.223 270 P CA 0.080 63.171 63.100 -0.015 0.000 0.784 270 P CB 0.862 32.473 31.700 -0.148 0.000 0.923 271 I N 0.666 121.172 120.570 -0.106 0.000 3.746 271 I HA 0.246 4.391 4.170 -0.041 0.000 0.262 271 I C 0.417 176.394 176.117 -0.232 0.000 1.153 271 I CA 0.313 61.452 61.300 -0.269 0.000 1.395 271 I CB 0.343 38.064 38.000 -0.466 0.000 1.589 271 I HN 0.138 nan 8.210 nan 0.000 0.441 272 I N 1.390 121.855 120.570 -0.174 0.000 2.478 272 I HA 0.168 4.313 4.170 -0.041 0.000 0.287 272 I C 0.611 176.643 176.117 -0.141 0.000 1.042 272 I CA -0.244 60.965 61.300 -0.150 0.000 1.067 272 I CB 2.085 39.995 38.000 -0.149 0.000 1.233 272 I HN 0.120 nan 8.210 nan 0.000 0.431 273 N N 5.374 124.012 118.700 -0.103 0.000 2.171 273 N HA 0.012 4.728 4.740 -0.041 0.000 0.184 273 N C 0.540 175.995 175.510 -0.091 0.000 1.021 273 N CA 1.035 54.049 53.050 -0.061 0.000 0.854 273 N CB 0.525 39.094 38.487 0.136 0.000 0.994 273 N HN 0.537 nan 8.380 nan 0.000 0.426 274 R N -0.133 120.289 120.500 -0.129 0.000 2.515 274 R HA 0.467 4.783 4.340 -0.041 0.000 0.278 274 R C -2.055 174.077 176.300 -0.280 0.000 1.107 274 R CA -0.489 55.478 56.100 -0.221 0.000 0.945 274 R CB 1.868 32.095 30.300 -0.122 0.000 1.219 274 R HN 0.065 nan 8.270 nan 0.000 0.434 275 A N 2.276 124.846 122.820 -0.417 0.000 2.356 275 A HA 0.743 5.038 4.320 -0.041 0.000 0.310 275 A C -1.000 176.318 177.584 -0.444 0.000 1.075 275 A CA -0.449 51.334 52.037 -0.423 0.000 0.746 275 A CB 1.549 20.163 19.000 -0.643 0.000 1.221 275 A HN 0.804 nan 8.150 nan 0.000 0.443 276 S N 1.276 116.904 115.700 -0.120 0.000 2.588 276 S HA 0.662 5.108 4.470 -0.041 0.000 0.269 276 S C -1.164 173.550 174.600 0.190 0.000 1.157 276 S CA -0.719 57.502 58.200 0.036 0.000 0.824 276 S CB 0.865 64.011 63.200 -0.090 0.000 1.126 276 S HN 0.549 nan 8.310 nan 0.000 0.464 277 I N 2.187 122.881 120.570 0.205 0.000 2.287 277 I HA 0.414 4.559 4.170 -0.041 0.000 0.290 277 I C 1.271 177.466 176.117 0.131 0.000 1.069 277 I CA -0.529 60.878 61.300 0.179 0.000 1.237 277 I CB 0.285 38.468 38.000 0.305 0.000 1.418 277 I HN 0.990 nan 8.210 nan 0.000 0.481 278 A N 5.084 127.963 122.820 0.098 0.000 2.208 278 A HA 0.162 4.458 4.320 -0.041 0.000 0.209 278 A C 0.693 178.326 177.584 0.081 0.000 1.161 278 A CA 0.744 52.861 52.037 0.134 0.000 0.782 278 A CB 0.080 19.176 19.000 0.159 0.000 0.816 278 A HN 0.651 nan 8.150 nan 0.000 0.477 279 E N -1.862 118.327 120.200 -0.019 0.000 2.396 279 E HA 0.563 4.889 4.350 -0.041 0.000 0.280 279 E C -1.488 175.078 176.600 -0.058 0.000 1.065 279 E CA -0.300 56.044 56.400 -0.094 0.000 0.831 279 E CB 0.834 30.308 29.700 -0.377 0.000 1.272 279 E HN 0.092 nan 8.360 nan 0.000 0.443 280 M N 3.193 122.774 119.600 -0.031 0.000 2.265 280 M HA 0.379 4.835 4.480 -0.041 0.000 0.262 280 M C -1.764 174.435 176.300 -0.169 0.000 1.026 280 M CA -0.675 54.487 55.300 -0.229 0.000 0.987 280 M CB 1.459 33.896 32.600 -0.271 0.000 1.937 280 M HN 0.385 nan 8.290 nan 0.000 0.481 281 V N 3.645 123.407 119.914 -0.254 0.000 2.715 281 V HA 0.685 4.781 4.120 -0.041 0.000 0.310 281 V C -0.380 175.486 176.094 -0.381 0.000 1.054 281 V CA -0.801 61.245 62.300 -0.422 0.000 0.928 281 V CB 1.949 33.405 31.823 -0.611 0.000 1.007 281 V HN 0.590 nan 8.190 nan 0.000 0.437 282 V N 4.575 124.280 119.914 -0.347 0.000 2.315 282 V HA 0.329 4.425 4.120 -0.041 0.000 0.265 282 V C -2.440 173.427 176.094 -0.379 0.000 1.019 282 V CA -1.246 60.846 62.300 -0.348 0.000 0.824 282 V CB 1.353 33.068 31.823 -0.180 0.000 1.072 282 V HN 0.774 nan 8.190 nan 0.000 0.448 283 P HA 0.329 nan 4.420 nan 0.000 0.286 283 P C -1.276 175.828 177.300 -0.327 0.000 1.269 283 P CA -0.269 62.653 63.100 -0.296 0.000 0.787 283 P CB 1.050 32.597 31.700 -0.254 0.000 0.920 284 Y N 0.781 120.914 120.300 -0.278 0.000 2.323 284 Y HA 0.455 4.982 4.550 -0.039 0.000 0.331 284 Y C 1.742 177.562 175.900 -0.133 0.000 1.092 284 Y CA 0.249 58.229 58.100 -0.199 0.000 1.150 284 Y CB 1.396 39.661 38.460 -0.325 0.000 1.200 284 Y HN 0.476 nan 8.280 nan 0.000 0.472 285 G N 1.427 110.252 108.800 0.042 0.000 3.609 285 G HA2 0.001 3.936 3.960 -0.041 0.000 0.280 285 G HA3 0.001 3.936 3.960 -0.041 0.000 0.280 285 G C -0.655 174.270 174.900 0.042 0.000 1.155 285 G CA -0.183 44.946 45.100 0.049 0.000 0.876 285 G HN 0.509 nan 8.290 nan 0.000 0.535 286 D N 1.144 121.552 120.400 0.012 0.000 2.317 286 D HA 0.249 4.865 4.640 -0.041 0.000 0.234 286 D C -1.163 175.100 176.300 -0.061 0.000 1.112 286 D CA -2.402 51.571 54.000 -0.044 0.000 0.840 286 D CB 2.282 43.051 40.800 -0.051 0.000 1.078 286 D HN 0.040 nan 8.370 nan 0.000 0.486 287 P HA -0.027 nan 4.420 nan 0.000 0.242 287 P C 0.341 177.622 177.300 -0.032 0.000 1.197 287 P CA -0.037 63.043 63.100 -0.032 0.000 0.765 287 P CB 0.136 31.830 31.700 -0.011 0.000 0.936 288 S N 1.513 117.185 115.700 -0.047 0.000 2.549 288 S HA 0.114 4.559 4.470 -0.041 0.000 0.286 288 S C -1.376 173.220 174.600 -0.007 0.000 1.314 288 S CA -0.926 57.260 58.200 -0.024 0.000 1.062 288 S CB 0.374 63.541 63.200 -0.056 0.000 0.865 288 S HN -0.086 nan 8.310 nan 0.000 0.498 289 P HA -0.066 nan 4.420 nan 0.000 0.221 289 P C 1.125 178.565 177.300 0.232 0.000 1.145 289 P CA 0.626 63.804 63.100 0.131 0.000 0.795 289 P CB 0.039 31.821 31.700 0.137 0.000 0.775 290 I N -1.082 119.583 120.570 0.159 0.000 2.614 290 I HA -0.098 4.048 4.170 -0.041 0.000 0.258 290 I C 1.711 177.965 176.117 0.229 0.000 1.189 290 I CA 1.517 62.958 61.300 0.235 0.000 1.462 290 I CB -0.876 37.169 38.000 0.075 0.000 1.092 290 I HN 0.041 nan 8.210 nan 0.000 0.442 291 R N -0.709 119.711 120.500 -0.135 0.000 2.539 291 R HA 0.094 4.410 4.340 -0.041 0.000 0.342 291 R C 1.889 177.693 176.300 -0.826 0.000 0.941 291 R CA 0.494 56.211 56.100 -0.638 0.000 1.146 291 R CB 0.305 30.366 30.300 -0.398 0.000 1.541 291 R HN 0.259 nan 8.270 nan 0.000 0.525 292 S N 0.756 116.177 115.700 -0.464 0.000 2.500 292 S HA -0.107 4.339 4.470 -0.041 0.000 0.239 292 S C 1.364 175.715 174.600 -0.416 0.000 0.989 292 S CA 0.387 58.389 58.200 -0.330 0.000 0.951 292 S CB -0.382 62.730 63.200 -0.146 0.000 0.759 292 S HN 0.594 nan 8.310 nan 0.000 0.523 293 W N 0.663 121.751 121.300 -0.354 0.000 3.211 293 W HA 0.379 5.012 4.660 -0.045 0.000 0.292 293 W C 0.504 176.982 176.519 -0.068 0.000 1.268 293 W CA -0.640 56.355 57.345 -0.583 0.000 1.702 293 W CB -0.663 28.395 29.460 -0.670 0.000 1.092 293 W HN 0.287 nan 8.180 nan 0.000 0.643 294 Q N 2.990 122.242 119.800 -0.914 0.000 2.263 294 Q HA 0.087 4.403 4.340 -0.041 0.000 0.270 294 Q C -0.746 174.928 176.000 -0.543 0.000 1.104 294 Q CA 0.752 55.981 55.803 -0.956 0.000 0.909 294 Q CB 0.045 27.942 28.738 -1.402 0.000 1.214 294 Q HN 0.037 nan 8.270 nan 0.000 0.400 295 N N 4.782 123.186 118.700 -0.495 0.000 2.599 295 N HA 0.123 4.839 4.740 -0.041 0.000 0.283 295 N C -1.939 173.412 175.510 -0.265 0.000 1.160 295 N CA -0.432 52.407 53.050 -0.353 0.000 0.869 295 N CB 1.053 39.513 38.487 -0.045 0.000 1.448 295 N HN 0.400 nan 8.380 nan 0.000 0.535 296 Y N 1.121 121.470 120.300 0.081 0.000 2.335 296 Y HA 0.428 4.953 4.550 -0.042 0.000 0.339 296 Y C 0.085 176.060 175.900 0.126 0.000 0.987 296 Y CA -0.888 57.362 58.100 0.250 0.000 1.140 296 Y CB 0.399 39.016 38.460 0.261 0.000 1.173 296 Y HN 0.330 nan 8.280 nan 0.000 0.486 297 F N 3.425 123.588 119.950 0.356 0.000 2.425 297 F HA 0.218 4.720 4.527 -0.041 0.000 0.354 297 F C 1.096 177.080 175.800 0.307 0.000 1.162 297 F CA -0.629 57.502 58.000 0.218 0.000 1.250 297 F CB 0.156 39.229 39.000 0.121 0.000 1.579 297 F HN 0.532 nan 8.300 nan 0.000 0.589 298 D N 0.531 121.181 120.400 0.416 0.000 2.158 298 D HA -0.164 4.451 4.640 -0.041 0.000 0.197 298 D C 2.011 178.533 176.300 0.370 0.000 0.995 298 D CA 1.734 55.996 54.000 0.438 0.000 0.846 298 D CB 0.007 40.974 40.800 0.278 0.000 0.941 298 D HN 0.373 nan 8.370 nan 0.000 0.456 299 T N -0.340 114.355 114.554 0.236 0.000 2.814 299 T HA 0.017 4.342 4.350 -0.041 0.000 0.254 299 T C 2.001 176.744 174.700 0.072 0.000 1.037 299 T CA 1.268 63.450 62.100 0.137 0.000 1.143 299 T CB -0.550 68.360 68.868 0.071 0.000 0.866 299 T HN 0.225 nan 8.240 nan 0.000 0.431 300 G N 1.149 109.994 108.800 0.074 0.000 2.404 300 G HA2 -0.144 3.791 3.960 -0.041 0.000 0.215 300 G HA3 -0.144 3.791 3.960 -0.041 0.000 0.215 300 G C 1.459 176.331 174.900 -0.047 0.000 1.174 300 G CA 0.635 45.692 45.100 -0.071 0.000 0.780 300 G HN 0.499 nan 8.290 nan 0.000 0.537 301 E N -1.049 119.187 120.200 0.060 0.000 2.140 301 E HA 0.079 4.405 4.350 -0.041 0.000 0.191 301 E C 1.899 178.442 176.600 -0.095 0.000 0.973 301 E CA 0.445 56.804 56.400 -0.068 0.000 0.829 301 E CB 0.026 29.644 29.700 -0.136 0.000 0.781 301 E HN 0.611 nan 8.360 nan 0.000 0.466 302 Y N 0.010 120.471 120.300 0.269 0.000 2.507 302 Y HA 0.266 4.792 4.550 -0.041 0.000 0.263 302 Y C 0.004 176.123 175.900 0.364 0.000 1.093 302 Y CA -0.134 58.198 58.100 0.386 0.000 1.285 302 Y CB 0.555 39.274 38.460 0.431 0.000 1.115 302 Y HN -0.164 nan 8.280 nan 0.000 0.533 303 L N 0.864 122.289 121.223 0.337 0.000 3.000 303 L HA -0.209 4.107 4.340 -0.041 0.000 0.682 303 L C 1.113 178.106 176.870 0.204 0.000 1.047 303 L CA -0.009 54.935 54.840 0.174 0.000 1.334 303 L CB -1.654 40.456 42.059 0.085 0.000 1.859 303 L HN 0.196 nan 8.230 nan 0.000 0.890 304 V N -0.504 119.546 119.914 0.227 0.000 2.568 304 V HA -0.144 3.951 4.120 -0.041 0.000 0.253 304 V C 2.189 178.411 176.094 0.212 0.000 1.072 304 V CA 2.241 64.717 62.300 0.293 0.000 1.084 304 V CB -0.556 31.414 31.823 0.246 0.000 0.676 304 V HN 0.828 nan 8.190 nan 0.000 0.469 305 G N 1.157 109.950 108.800 -0.011 0.000 2.422 305 G HA2 -0.285 3.651 3.960 -0.041 0.000 0.218 305 G HA3 -0.285 3.651 3.960 -0.041 0.000 0.218 305 G C 1.562 176.531 174.900 0.115 0.000 1.146 305 G CA 0.947 45.990 45.100 -0.095 0.000 0.769 305 G HN 0.813 nan 8.290 nan 0.000 0.547 306 Q N -0.948 118.801 119.800 -0.086 0.000 2.291 306 Q HA -0.047 4.268 4.340 -0.041 0.000 0.205 306 Q C 1.227 177.083 176.000 -0.240 0.000 0.970 306 Q CA 0.945 56.616 55.803 -0.221 0.000 0.876 306 Q CB -0.319 28.144 28.738 -0.459 0.000 0.935 306 Q HN 0.521 nan 8.270 nan 0.000 0.455 307 Y N 0.878 121.325 120.300 0.246 0.000 2.493 307 Y HA 0.471 4.998 4.550 -0.039 0.000 0.275 307 Y C 0.658 176.730 175.900 0.286 0.000 1.183 307 Y CA -0.903 57.347 58.100 0.251 0.000 1.258 307 Y CB -0.201 38.414 38.460 0.258 0.000 1.108 307 Y HN 0.160 nan 8.280 nan 0.000 0.521 308 A N 1.029 124.089 122.820 0.399 0.000 2.520 308 A HA 0.123 4.419 4.320 -0.041 0.000 0.245 308 A C 0.320 178.095 177.584 0.318 0.000 1.072 308 A CA -0.384 51.917 52.037 0.441 0.000 0.761 308 A CB -0.079 19.167 19.000 0.409 0.000 1.004 308 A HN 0.317 nan 8.150 nan 0.000 0.499 309 N N 1.111 120.011 118.700 0.333 0.000 2.503 309 N HA 0.214 4.930 4.740 -0.041 0.000 0.267 309 N C -0.309 175.301 175.510 0.166 0.000 1.214 309 N CA 0.010 53.198 53.050 0.231 0.000 0.959 309 N CB 0.753 39.372 38.487 0.220 0.000 1.142 309 N HN 0.496 nan 8.380 nan 0.000 0.455 310 S N 1.084 116.843 115.700 0.099 0.000 2.416 310 S HA 0.307 4.753 4.470 -0.041 0.000 0.287 310 S C 0.435 175.060 174.600 0.040 0.000 1.139 310 S CA -0.628 57.596 58.200 0.040 0.000 1.058 310 S CB -0.069 63.132 63.200 0.002 0.000 0.967 310 S HN 0.236 nan 8.310 nan 0.000 0.495 311 L N 2.958 124.220 121.223 0.065 0.000 2.417 311 L HA 0.410 4.726 4.340 -0.041 0.000 0.268 311 L C 0.422 177.307 176.870 0.026 0.000 1.158 311 L CA -0.385 54.518 54.840 0.104 0.000 0.819 311 L CB 0.380 42.596 42.059 0.262 0.000 1.112 311 L HN 0.409 nan 8.230 nan 0.000 0.458 312 E N 1.865 122.097 120.200 0.054 0.000 2.171 312 E HA 0.409 4.734 4.350 -0.041 0.000 0.271 312 E C -0.735 175.923 176.600 0.097 0.000 0.916 312 E CA -0.515 55.904 56.400 0.031 0.000 0.774 312 E CB 1.742 31.446 29.700 0.008 0.000 1.128 312 E HN 0.359 nan 8.360 nan 0.000 0.403 313 L N 2.603 123.897 121.223 0.119 0.000 2.525 313 L HA 0.135 4.451 4.340 -0.041 0.000 0.278 313 L C 1.404 178.316 176.870 0.071 0.000 1.218 313 L CA 1.424 56.352 54.840 0.148 0.000 0.878 313 L CB 0.219 42.369 42.059 0.152 0.000 1.127 313 L HN 0.947 nan 8.230 nan 0.000 0.492 314 G N 1.866 110.696 108.800 0.050 0.000 2.396 314 G HA2 -0.353 3.583 3.960 -0.041 0.000 0.242 314 G HA3 -0.353 3.583 3.960 -0.041 0.000 0.242 314 G C 0.848 175.758 174.900 0.017 0.000 1.069 314 G CA 0.484 45.600 45.100 0.026 0.000 0.633 314 G HN 0.714 nan 8.290 nan 0.000 0.517 315 C N -0.133 119.180 119.300 0.021 0.000 2.587 315 C HA 0.290 4.725 4.460 -0.041 0.000 0.287 315 C C 2.287 177.277 174.990 0.000 0.000 1.374 315 C CA 1.369 60.389 59.018 0.004 0.000 1.770 315 C CB -0.636 27.101 27.740 -0.004 0.000 2.137 315 C HN 0.559 nan 8.230 nan 0.000 0.550 316 D N -0.273 120.140 120.400 0.020 0.000 2.201 316 D HA 0.054 4.669 4.640 -0.041 0.000 0.209 316 D C 0.148 176.488 176.300 0.068 0.000 0.961 316 D CA 1.044 55.063 54.000 0.032 0.000 0.861 316 D CB 0.164 40.993 40.800 0.049 0.000 0.997 316 D HN 0.397 nan 8.370 nan 0.000 0.486 317 c N 1.905 120.535 118.600 0.050 0.000 2.383 317 c HA 0.473 5.019 4.570 -0.041 0.000 0.330 317 c C -0.347 173.681 174.090 -0.103 0.000 1.168 317 c CA -1.072 55.223 56.329 -0.058 0.000 1.374 317 c CB 0.737 43.187 42.510 -0.100 0.000 2.014 317 c HN 0.167 nan 8.230 nan 0.000 0.439 318 L N 4.117 125.261 121.223 -0.132 0.000 2.307 318 L HA 0.934 5.249 4.340 -0.041 0.000 0.282 318 L C 0.555 177.353 176.870 -0.121 0.000 1.051 318 L CA 1.805 56.596 54.840 -0.080 0.000 0.804 318 L CB 0.868 42.915 42.059 -0.020 0.000 1.197 318 L HN 1.090 nan 8.230 nan 0.000 0.431 319 G N 3.392 112.162 108.800 -0.049 0.000 2.447 319 G HA2 -0.147 3.789 3.960 -0.041 0.000 0.220 319 G HA3 -0.147 3.789 3.960 -0.041 0.000 0.220 319 G C -1.075 173.822 174.900 -0.005 0.000 1.261 319 G CA -0.285 44.811 45.100 -0.007 0.000 1.000 319 G HN 0.736 nan 8.290 nan 0.000 0.515 320 D N 1.291 121.717 120.400 0.044 0.000 2.374 320 D HA 0.392 5.008 4.640 -0.041 0.000 0.240 320 D C 0.327 176.666 176.300 0.065 0.000 1.229 320 D CA -0.131 53.898 54.000 0.049 0.000 0.895 320 D CB 0.022 40.856 40.800 0.057 0.000 1.046 320 D HN 0.360 nan 8.370 nan 0.000 0.498 321 I N 2.544 123.102 120.570 -0.019 0.000 2.437 321 I HA 0.224 4.370 4.170 -0.041 0.000 0.298 321 I C 0.703 176.755 176.117 -0.109 0.000 0.984 321 I CA -0.551 60.669 61.300 -0.133 0.000 1.214 321 I CB 1.528 39.253 38.000 -0.458 0.000 1.365 321 I HN 0.116 nan 8.210 nan 0.000 0.469 322 T N 6.141 120.672 114.554 -0.037 0.000 2.786 322 T HA 0.528 4.854 4.350 -0.041 0.000 0.283 322 T C -0.595 174.066 174.700 -0.066 0.000 0.992 322 T CA -0.280 61.860 62.100 0.067 0.000 0.954 322 T CB 0.536 69.588 68.868 0.307 0.000 0.934 322 T HN 0.173 nan 8.240 nan 0.000 0.440 323 Y N 2.007 122.363 120.300 0.093 0.000 2.419 323 Y HA 0.656 5.181 4.550 -0.041 0.000 0.328 323 Y C 0.252 176.174 175.900 0.037 0.000 1.162 323 Y CA -1.205 56.928 58.100 0.056 0.000 1.174 323 Y CB 1.072 39.553 38.460 0.036 0.000 1.228 323 Y HN 0.340 nan 8.280 nan 0.000 0.473 324 L N 1.278 122.618 121.223 0.194 0.000 2.362 324 L HA 0.522 4.838 4.340 -0.041 0.000 0.271 324 L C -0.649 176.235 176.870 0.023 0.000 1.002 324 L CA -0.697 54.191 54.840 0.079 0.000 0.818 324 L CB 2.041 44.118 42.059 0.029 0.000 1.298 324 L HN 0.542 nan 8.230 nan 0.000 0.420 325 S N 3.142 118.827 115.700 -0.026 0.000 2.406 325 S HA 0.334 4.779 4.470 -0.041 0.000 0.224 325 S C -2.353 172.166 174.600 -0.134 0.000 1.426 325 S CA -1.036 57.113 58.200 -0.085 0.000 1.179 325 S CB 0.828 63.996 63.200 -0.053 0.000 1.042 325 S HN 0.384 nan 8.310 nan 0.000 0.479 326 P HA 0.184 nan 4.420 nan 0.000 0.269 326 P C -0.698 176.500 177.300 -0.169 0.000 1.209 326 P CA -0.260 62.673 63.100 -0.279 0.000 0.776 326 P CB 0.730 31.995 31.700 -0.726 0.000 0.876 327 V N 4.253 124.131 119.914 -0.059 0.000 2.435 327 V HA 0.417 4.513 4.120 -0.041 0.000 0.290 327 V C 0.754 176.859 176.094 0.020 0.000 1.030 327 V CA -0.494 61.794 62.300 -0.020 0.000 0.881 327 V CB 1.077 32.900 31.823 0.000 0.000 0.983 327 V HN 0.497 nan 8.190 nan 0.000 0.445 328 I N 1.320 121.894 120.570 0.006 0.000 3.264 328 I HA 0.826 4.971 4.170 -0.041 0.000 0.309 328 I C -0.150 175.952 176.117 -0.026 0.000 1.099 328 I CA -0.668 60.636 61.300 0.007 0.000 0.989 328 I CB 2.294 40.303 38.000 0.017 0.000 1.250 328 I HN 0.516 nan 8.210 nan 0.000 0.478 329 S N 0.808 116.473 115.700 -0.058 0.000 2.565 329 S HA 0.430 4.876 4.470 -0.041 0.000 0.290 329 S C -0.681 173.870 174.600 -0.081 0.000 1.150 329 S CA -0.593 57.566 58.200 -0.068 0.000 1.058 329 S CB 0.892 64.038 63.200 -0.091 0.000 1.032 329 S HN 0.805 nan 8.310 nan 0.000 0.510 330 D N 2.462 122.818 120.400 -0.073 0.000 2.478 330 D HA 0.428 5.044 4.640 -0.041 0.000 0.274 330 D C 1.203 177.372 176.300 -0.218 0.000 1.234 330 D CA -0.200 53.730 54.000 -0.117 0.000 1.069 330 D CB 0.009 40.769 40.800 -0.066 0.000 1.113 330 D HN 0.490 nan 8.370 nan 0.000 0.571 331 A N -1.198 121.369 122.820 -0.421 0.000 2.178 331 A HA -0.017 4.278 4.320 -0.041 0.000 0.218 331 A C 1.249 178.436 177.584 -0.661 0.000 1.157 331 A CA 0.752 52.435 52.037 -0.590 0.000 0.689 331 A CB -0.888 17.645 19.000 -0.778 0.000 0.787 331 A HN 0.439 nan 8.150 nan 0.000 0.465 332 F N -1.718 118.234 119.950 0.003 0.000 2.678 332 F HA 0.413 4.915 4.527 -0.041 0.000 0.305 332 F C 1.716 177.508 175.800 -0.013 0.000 1.090 332 F CA -0.136 57.864 58.000 -0.000 0.000 1.272 332 F CB 0.005 39.005 39.000 -0.000 0.000 1.060 332 F HN 0.283 nan 8.300 nan 0.000 0.576 333 G N 0.648 109.482 108.800 0.058 0.000 2.157 333 G HA2 -0.282 3.654 3.960 -0.041 0.000 0.239 333 G HA3 -0.282 3.654 3.960 -0.041 0.000 0.239 333 G C -0.084 174.824 174.900 0.013 0.000 0.982 333 G CA -0.331 44.780 45.100 0.018 0.000 0.650 333 G HN 0.425 nan 8.290 nan 0.000 0.527 334 N N 2.381 121.109 118.700 0.048 0.000 2.499 334 N HA 0.521 5.237 4.740 -0.041 0.000 0.281 334 N C -2.268 173.243 175.510 0.002 0.000 1.098 334 N CA -1.211 51.859 53.050 0.033 0.000 0.979 334 N CB 1.662 40.193 38.487 0.073 0.000 1.121 334 N HN 0.143 nan 8.380 nan 0.000 0.466 335 P HA 0.099 nan 4.420 nan 0.000 0.275 335 P C -1.077 176.219 177.300 -0.007 0.000 1.227 335 P CA -0.037 63.052 63.100 -0.018 0.000 0.781 335 P CB 1.011 32.698 31.700 -0.023 0.000 0.906 336 R N 1.718 122.211 120.500 -0.011 0.000 2.538 336 R HA 0.268 4.584 4.340 -0.041 0.000 0.292 336 R C -0.571 175.718 176.300 -0.018 0.000 1.008 336 R CA -0.603 55.492 56.100 -0.008 0.000 0.896 336 R CB 1.609 31.906 30.300 -0.006 0.000 1.187 336 R HN 0.484 nan 8.270 nan 0.000 0.440 337 E N 4.907 125.095 120.200 -0.021 0.000 2.249 337 E HA 0.203 4.529 4.350 -0.041 0.000 0.280 337 E C -0.670 175.901 176.600 -0.048 0.000 1.016 337 E CA -0.515 55.861 56.400 -0.040 0.000 0.830 337 E CB 0.977 30.657 29.700 -0.032 0.000 1.081 337 E HN 0.537 nan 8.360 nan 0.000 0.395 338 I N 5.392 125.909 120.570 -0.089 0.000 2.316 338 I HA 0.176 4.322 4.170 -0.041 0.000 0.286 338 I C 0.508 176.568 176.117 -0.094 0.000 1.107 338 I CA -0.565 60.681 61.300 -0.089 0.000 1.219 338 I CB 0.432 38.338 38.000 -0.156 0.000 1.455 338 I HN 0.308 nan 8.210 nan 0.000 0.498 339 R N 6.326 126.787 120.500 -0.065 0.000 2.480 339 R HA -0.059 4.257 4.340 -0.041 0.000 0.303 339 R C 0.118 176.353 176.300 -0.107 0.000 0.985 339 R CA 0.525 56.576 56.100 -0.081 0.000 1.051 339 R CB 0.086 30.343 30.300 -0.071 0.000 0.935 339 R HN 0.642 nan 8.270 nan 0.000 0.410 340 N N 2.401 121.020 118.700 -0.135 0.000 2.740 340 N HA -0.173 4.543 4.740 -0.041 0.000 0.248 340 N C 0.704 176.230 175.510 0.028 0.000 1.062 340 N CA 1.229 54.170 53.050 -0.181 0.000 0.704 340 N CB -1.348 36.784 38.487 -0.593 0.000 0.968 340 N HN 0.848 nan 8.380 nan 0.000 0.547 341 G N -1.059 107.745 108.800 0.006 0.000 2.623 341 G HA2 0.252 4.187 3.960 -0.041 0.000 0.214 341 G HA3 0.252 4.187 3.960 -0.041 0.000 0.214 341 G C 0.511 175.471 174.900 0.100 0.000 1.138 341 G CA 0.270 45.378 45.100 0.013 0.000 0.794 341 G HN 0.444 nan 8.290 nan 0.000 0.535 342 I N 0.211 120.858 120.570 0.128 0.000 2.499 342 I HA 0.300 4.446 4.170 -0.041 0.000 0.288 342 I C -0.821 175.402 176.117 0.176 0.000 1.048 342 I CA -0.909 60.484 61.300 0.155 0.000 1.062 342 I CB 2.537 40.571 38.000 0.057 0.000 1.238 342 I HN -0.200 nan 8.210 nan 0.000 0.426 343 c N 6.790 125.460 118.600 0.116 0.000 2.341 343 c HA 0.690 5.236 4.570 -0.041 0.000 0.338 343 c C 0.037 174.111 174.090 -0.027 0.000 1.257 343 c CA -0.465 55.840 56.329 -0.040 0.000 1.883 343 c CB 0.632 43.150 42.510 0.013 0.000 2.334 343 c HN 0.655 nan 8.230 nan 0.000 0.524 344 M N 5.779 125.328 119.600 -0.086 0.000 2.213 344 M HA 0.483 4.938 4.480 -0.041 0.000 0.286 344 M C -0.634 175.619 176.300 -0.078 0.000 1.008 344 M CA -0.136 55.052 55.300 -0.187 0.000 0.937 344 M CB 1.718 34.138 32.600 -0.300 0.000 1.600 344 M HN 0.946 nan 8.290 nan 0.000 0.450 345 H N 0.980 119.826 119.070 -0.372 0.000 2.967 345 H HA 0.523 5.054 4.556 -0.041 0.000 0.318 345 H C -2.051 173.141 175.328 -0.228 0.000 1.375 345 H CA -1.095 54.892 56.048 -0.100 0.000 1.132 345 H CB 1.062 30.831 29.762 0.011 0.000 1.848 345 H HN 0.721 nan 8.280 nan 0.000 0.524 346 E N 0.906 121.086 120.200 -0.033 0.000 2.212 346 E HA 0.509 4.835 4.350 -0.041 0.000 0.268 346 E C -0.923 175.681 176.600 0.006 0.000 0.902 346 E CA -0.969 55.321 56.400 -0.184 0.000 0.779 346 E CB 2.762 32.518 29.700 0.093 0.000 1.172 346 E HN 0.703 nan 8.360 nan 0.000 0.409 347 E N 2.059 122.236 120.200 -0.039 0.000 2.317 347 E HA 0.260 4.585 4.350 -0.041 0.000 0.270 347 E C -1.282 175.434 176.600 0.194 0.000 0.885 347 E CA -1.045 55.424 56.400 0.116 0.000 0.760 347 E CB 1.607 31.384 29.700 0.128 0.000 1.227 347 E HN 0.527 nan 8.360 nan 0.000 0.434 348 D N 1.552 122.083 120.400 0.218 0.000 2.472 348 D HA -0.104 4.512 4.640 -0.041 0.000 0.237 348 D C -0.940 175.579 176.300 0.365 0.000 1.141 348 D CA 0.308 54.449 54.000 0.235 0.000 0.875 348 D CB 0.505 41.393 40.800 0.146 0.000 1.192 348 D HN 0.527 nan 8.370 nan 0.000 0.450 349 W N 5.797 127.141 121.300 0.073 0.000 1.340 349 W HA 0.372 5.007 4.660 -0.041 0.000 0.301 349 W C 0.347 176.898 176.519 0.054 0.000 0.834 349 W CA 0.045 57.432 57.345 0.070 0.000 2.473 349 W CB 0.090 29.640 29.460 0.150 0.000 1.837 349 W HN 0.848 nan 8.180 nan 0.000 0.528 350 G N 1.947 110.688 108.800 -0.098 0.000 2.564 350 G HA2 -0.334 3.601 3.960 -0.041 0.000 0.273 350 G HA3 -0.334 3.601 3.960 -0.041 0.000 0.273 350 G C -0.379 174.500 174.900 -0.035 0.000 1.242 350 G CA -0.050 44.966 45.100 -0.140 0.000 0.951 350 G HN 0.080 nan 8.290 nan 0.000 0.564 351 I N 1.376 121.914 120.570 -0.053 0.000 2.441 351 I HA 0.235 4.381 4.170 -0.041 0.000 0.287 351 I C 1.565 177.703 176.117 0.035 0.000 1.049 351 I CA -0.126 61.169 61.300 -0.009 0.000 1.381 351 I CB 0.808 38.794 38.000 -0.022 0.000 1.409 351 I HN 0.635 nan 8.210 nan 0.000 0.523 352 L N 6.588 127.848 121.223 0.063 0.000 2.200 352 L HA 0.459 4.775 4.340 -0.041 0.000 0.200 352 L C 0.647 177.568 176.870 0.085 0.000 1.072 352 L CA 1.072 55.970 54.840 0.095 0.000 0.787 352 L CB 0.102 42.227 42.059 0.110 0.000 0.957 352 L HN 0.698 nan 8.230 nan 0.000 0.459 353 A N -0.435 122.442 122.820 0.095 0.000 2.547 353 A HA 0.660 4.956 4.320 -0.041 0.000 0.297 353 A C -1.119 176.576 177.584 0.185 0.000 1.056 353 A CA -0.598 51.529 52.037 0.149 0.000 0.688 353 A CB 1.130 20.268 19.000 0.229 0.000 1.282 353 A HN 0.066 nan 8.150 nan 0.000 0.400 354 K N 1.112 121.631 120.400 0.198 0.000 2.561 354 K HA 0.553 4.849 4.320 -0.041 0.000 0.254 354 K C -2.254 174.492 176.600 0.242 0.000 0.942 354 K CA -0.494 55.920 56.287 0.213 0.000 0.818 354 K CB 1.669 34.227 32.500 0.097 0.000 1.306 354 K HN 1.058 nan 8.250 nan 0.000 0.435 355 H N 0.460 119.608 119.070 0.131 0.000 3.099 355 H HA 0.387 4.919 4.556 -0.041 0.000 0.342 355 H C -1.882 173.471 175.328 0.041 0.000 1.054 355 H CA -0.324 55.748 56.048 0.041 0.000 1.328 355 H CB 1.973 31.724 29.762 -0.017 0.000 1.876 355 H HN 0.413 nan 8.280 nan 0.000 0.495 356 S N 4.091 119.481 115.700 -0.516 0.000 2.520 356 S HA 0.168 4.613 4.470 -0.041 0.000 0.324 356 S C -0.787 173.360 174.600 -0.756 0.000 1.069 356 S CA -0.631 57.312 58.200 -0.429 0.000 1.121 356 S CB 0.369 63.444 63.200 -0.209 0.000 0.971 356 S HN 0.653 nan 8.310 nan 0.000 0.463 357 D N 2.244 122.269 120.400 -0.625 0.000 2.274 357 D HA 0.297 4.912 4.640 -0.041 0.000 0.239 357 D C 0.981 177.161 176.300 -0.200 0.000 1.104 357 D CA -0.592 53.151 54.000 -0.429 0.000 0.840 357 D CB 0.885 41.611 40.800 -0.122 0.000 1.100 357 D HN 0.253 nan 8.370 nan 0.000 0.477 358 L N 5.499 126.582 121.223 -0.234 0.000 1.994 358 L HA -0.037 4.279 4.340 -0.041 0.000 0.208 358 L C 1.436 178.331 176.870 0.042 0.000 1.071 358 L CA 1.632 56.386 54.840 -0.143 0.000 0.745 358 L CB -0.519 41.390 42.059 -0.249 0.000 0.892 358 L HN 0.609 nan 8.230 nan 0.000 0.431 359 W N -0.095 121.207 121.300 0.002 0.000 2.358 359 W HA -0.134 4.502 4.660 -0.040 0.000 0.303 359 W C 2.996 179.516 176.519 0.002 0.000 1.208 359 W CA 1.614 58.962 57.345 0.006 0.000 1.274 359 W CB -1.838 27.631 29.460 0.015 0.000 1.138 359 W HN 0.553 nan 8.180 nan 0.000 0.515 360 S N -1.025 114.806 115.700 0.219 0.000 2.478 360 S HA 0.282 4.727 4.470 -0.041 0.000 0.222 360 S C 1.819 176.462 174.600 0.072 0.000 1.008 360 S CA 0.958 59.233 58.200 0.126 0.000 0.928 360 S CB -0.086 63.176 63.200 0.104 0.000 0.781 360 S HN 0.443 nan 8.310 nan 0.000 0.518 361 G N 1.135 109.963 108.800 0.047 0.000 2.184 361 G HA2 -0.241 3.695 3.960 -0.041 0.000 0.264 361 G HA3 -0.241 3.695 3.960 -0.041 0.000 0.264 361 G C 0.028 174.930 174.900 0.003 0.000 0.975 361 G CA 0.358 45.469 45.100 0.018 0.000 0.642 361 G HN 0.607 nan 8.290 nan 0.000 0.536 362 I N 1.433 122.006 120.570 0.005 0.000 2.371 362 I HA 0.260 4.406 4.170 -0.041 0.000 0.290 362 I C -0.397 175.716 176.117 -0.007 0.000 1.028 362 I CA -0.698 60.612 61.300 0.017 0.000 1.345 362 I CB 0.900 38.923 38.000 0.040 0.000 1.407 362 I HN -0.027 nan 8.210 nan 0.000 0.501 363 N N 6.624 125.336 118.700 0.019 0.000 2.446 363 N HA 0.295 5.010 4.740 -0.041 0.000 0.265 363 N C -1.302 174.276 175.510 0.112 0.000 0.975 363 N CA -0.428 52.631 53.050 0.015 0.000 0.928 363 N CB 1.739 40.218 38.487 -0.013 0.000 1.160 363 N HN 0.453 nan 8.380 nan 0.000 0.495 364 Y N 1.107 121.389 120.300 -0.030 0.000 2.391 364 Y HA 0.503 5.029 4.550 -0.041 0.000 0.341 364 Y C -0.938 174.966 175.900 0.007 0.000 0.965 364 Y CA -0.312 57.788 58.100 0.001 0.000 1.067 364 Y CB 1.635 40.110 38.460 0.025 0.000 1.199 364 Y HN 0.324 nan 8.280 nan 0.000 0.450 365 T N 6.776 121.179 114.554 -0.252 0.000 3.032 365 T HA 0.564 4.890 4.350 -0.041 0.000 0.312 365 T C -1.303 173.178 174.700 -0.365 0.000 1.078 365 T CA -1.003 60.979 62.100 -0.196 0.000 1.028 365 T CB 1.192 70.007 68.868 -0.087 0.000 1.091 365 T HN 0.410 nan 8.240 nan 0.000 0.457 366 R N 1.776 122.126 120.500 -0.249 0.000 2.686 366 R HA 0.553 4.868 4.340 -0.041 0.000 0.283 366 R C -0.465 175.806 176.300 -0.050 0.000 0.978 366 R CA -0.862 55.125 56.100 -0.187 0.000 0.897 366 R CB 2.181 32.373 30.300 -0.179 0.000 1.192 366 R HN 0.545 nan 8.270 nan 0.000 0.457 367 R N 1.085 121.575 120.500 -0.017 0.000 2.486 367 R HA 0.336 4.651 4.340 -0.041 0.000 0.286 367 R C 0.113 176.474 176.300 0.102 0.000 0.999 367 R CA -0.554 55.569 56.100 0.039 0.000 0.993 367 R CB 1.523 31.846 30.300 0.038 0.000 1.084 367 R HN 0.566 nan 8.270 nan 0.000 0.487 368 N N 0.751 119.549 118.700 0.162 0.000 2.476 368 N HA 0.320 5.036 4.740 -0.041 0.000 0.275 368 N C -0.739 174.979 175.510 0.347 0.000 1.190 368 N CA -0.434 52.781 53.050 0.275 0.000 0.977 368 N CB 0.984 39.688 38.487 0.360 0.000 1.200 368 N HN 0.297 nan 8.380 nan 0.000 0.515 369 R N 0.109 120.867 120.500 0.429 0.000 2.710 369 R HA 0.377 4.693 4.340 -0.041 0.000 0.270 369 R C -1.346 175.212 176.300 0.430 0.000 1.021 369 R CA -0.844 55.523 56.100 0.444 0.000 0.889 369 R CB 2.072 32.684 30.300 0.520 0.000 1.243 369 R HN 0.634 nan 8.270 nan 0.000 0.464 370 R N 2.028 122.571 120.500 0.071 0.000 2.564 370 R HA 0.414 4.729 4.340 -0.041 0.000 0.284 370 R C -1.366 174.464 176.300 -0.785 0.000 1.031 370 R CA -0.924 54.888 56.100 -0.480 0.000 0.904 370 R CB 1.793 31.446 30.300 -1.079 0.000 1.199 370 R HN 0.471 nan 8.270 nan 0.000 0.443 371 M N 3.520 122.319 119.600 -1.334 0.000 2.180 371 M HA 0.289 4.745 4.480 -0.041 0.000 0.358 371 M C -1.504 174.280 176.300 -0.859 0.000 1.233 371 M CA -0.390 54.038 55.300 -1.454 0.000 1.114 371 M CB 1.426 32.953 32.600 -1.788 0.000 1.594 371 M HN 0.484 nan 8.290 nan 0.000 0.467 372 V N 7.153 126.614 119.914 -0.755 0.000 2.495 372 V HA 0.566 4.662 4.120 -0.041 0.000 0.298 372 V C -0.475 175.387 176.094 -0.386 0.000 1.031 372 V CA -0.590 61.425 62.300 -0.475 0.000 0.871 372 V CB 1.611 33.145 31.823 -0.481 0.000 0.988 372 V HN 0.795 nan 8.190 nan 0.000 0.432 373 I N 4.553 124.981 120.570 -0.238 0.000 2.439 373 I HA 0.599 4.744 4.170 -0.041 0.000 0.283 373 I C -0.102 176.012 176.117 -0.004 0.000 1.023 373 I CA 0.013 61.239 61.300 -0.122 0.000 1.100 373 I CB 1.889 39.811 38.000 -0.130 0.000 1.238 373 I HN 0.782 nan 8.210 nan 0.000 0.445 374 S N 5.663 121.371 115.700 0.013 0.000 2.651 374 S HA 0.885 5.330 4.470 -0.041 0.000 0.279 374 S C -0.882 173.818 174.600 0.167 0.000 1.148 374 S CA -0.709 57.452 58.200 -0.065 0.000 0.837 374 S CB 2.620 65.523 63.200 -0.495 0.000 1.138 374 S HN 0.516 nan 8.310 nan 0.000 0.478 375 F N -1.300 118.610 119.950 -0.067 0.000 2.668 375 F HA 0.884 5.386 4.527 -0.041 0.000 0.309 375 F C -2.158 173.730 175.800 0.146 0.000 1.117 375 F CA -1.637 56.423 58.000 0.101 0.000 0.951 375 F CB 0.939 40.049 39.000 0.184 0.000 1.323 375 F HN 0.611 nan 8.300 nan 0.000 0.451 376 F N 0.996 121.016 119.950 0.117 0.000 2.540 376 F HA 0.685 5.187 4.527 -0.041 0.000 0.317 376 F C -0.196 175.760 175.800 0.261 0.000 1.104 376 F CA -0.390 57.656 58.000 0.075 0.000 0.913 376 F CB 2.296 41.354 39.000 0.096 0.000 1.170 376 F HN 0.875 nan 8.300 nan 0.000 0.450 377 T N 2.227 117.039 114.554 0.431 0.000 2.916 377 T HA 0.657 4.983 4.350 -0.041 0.000 0.292 377 T C -1.153 173.813 174.700 0.445 0.000 1.055 377 T CA -0.323 62.078 62.100 0.502 0.000 1.009 377 T CB 1.361 70.563 68.868 0.556 0.000 1.118 377 T HN 0.564 nan 8.240 nan 0.000 0.497 378 T N 3.781 118.556 114.554 0.367 0.000 2.840 378 T HA 0.596 4.922 4.350 -0.041 0.000 0.287 378 T C -0.850 173.914 174.700 0.105 0.000 0.991 378 T CA -0.353 61.871 62.100 0.205 0.000 0.964 378 T CB 0.462 69.416 68.868 0.143 0.000 0.954 378 T HN 0.424 nan 8.240 nan 0.000 0.438 379 I N 3.410 123.991 120.570 0.018 0.000 2.464 379 I HA 0.526 4.672 4.170 -0.041 0.000 0.277 379 I C 1.109 177.066 176.117 -0.266 0.000 1.040 379 I CA 0.072 61.276 61.300 -0.161 0.000 1.153 379 I CB 0.756 38.737 38.000 -0.032 0.000 1.274 379 I HN 0.908 nan 8.210 nan 0.000 0.469 380 G N 5.652 114.266 108.800 -0.309 0.000 2.620 380 G HA2 -0.326 3.610 3.960 -0.041 0.000 0.315 380 G HA3 -0.326 3.610 3.960 -0.041 0.000 0.315 380 G C 0.379 175.152 174.900 -0.212 0.000 1.179 380 G CA 0.480 45.452 45.100 -0.213 0.000 0.971 380 G HN 0.734 nan 8.290 nan 0.000 0.544 384 Y N 0.264 120.571 120.300 0.011 0.000 2.425 384 Y HA 0.721 5.247 4.550 -0.040 0.000 0.344 384 Y C 0.765 175.991 175.900 -1.122 0.000 0.969 384 Y CA -1.115 56.757 58.100 -0.380 0.000 1.052 384 Y CB 2.515 40.890 38.460 -0.141 0.000 1.215 384 Y HN 0.439 nan 8.280 nan 0.000 0.451 385 G N 2.079 110.062 108.800 -1.361 0.000 2.372 385 G HA2 0.590 4.526 3.960 -0.041 0.000 0.323 385 G HA3 0.590 4.526 3.960 -0.041 0.000 0.323 385 G C -1.709 172.738 174.900 -0.755 0.000 1.152 385 G CA -0.425 43.812 45.100 -1.439 0.000 0.906 385 G HN 0.346 nan 8.290 nan 0.000 0.460 386 F N 1.567 120.952 119.950 -0.941 0.000 2.402 386 F HA 0.460 4.962 4.527 -0.041 0.000 0.355 386 F C -0.710 174.660 175.800 -0.716 0.000 1.123 386 F CA -0.826 56.824 58.000 -0.584 0.000 1.021 386 F CB 1.690 40.439 39.000 -0.419 0.000 1.160 386 F HN 0.310 nan 8.300 nan 0.000 0.451 387 Y N 1.480 121.374 120.300 -0.676 0.000 2.350 387 Y HA 0.442 4.968 4.550 -0.041 0.000 0.338 387 Y C -1.004 174.201 175.900 -1.159 0.000 0.961 387 Y CA -1.489 56.141 58.100 -0.784 0.000 1.100 387 Y CB 1.308 39.241 38.460 -0.878 0.000 1.179 387 Y HN 0.509 nan 8.280 nan 0.000 0.454 388 W N 3.339 124.283 121.300 -0.594 0.000 2.573 388 W HA 0.615 5.251 4.660 -0.040 0.000 0.326 388 W C -1.441 174.631 176.519 -0.746 0.000 1.049 388 W CA -0.762 56.264 57.345 -0.532 0.000 1.220 388 W CB 1.190 30.518 29.460 -0.219 0.000 1.373 388 W HN 0.328 nan 8.180 nan 0.000 0.507 389 Y N 2.901 123.096 120.300 -0.175 0.000 2.425 389 Y HA 0.638 5.163 4.550 -0.041 0.000 0.344 389 Y C -0.324 175.251 175.900 -0.541 0.000 0.969 389 Y CA -1.543 56.252 58.100 -0.508 0.000 1.052 389 Y CB 1.185 39.219 38.460 -0.711 0.000 1.215 389 Y HN 0.058 nan 8.280 nan 0.000 0.451 390 L N 4.129 124.996 121.223 -0.593 0.000 2.349 390 L HA 0.519 4.834 4.340 -0.041 0.000 0.278 390 L C -1.195 175.484 176.870 -0.318 0.000 0.996 390 L CA -0.847 53.589 54.840 -0.674 0.000 0.825 390 L CB 1.216 42.545 42.059 -1.217 0.000 1.243 390 L HN 0.601 nan 8.230 nan 0.000 0.412 391 Y N 1.930 122.387 120.300 0.263 0.000 2.453 391 Y HA 0.302 4.828 4.550 -0.041 0.000 0.326 391 Y C 1.216 177.579 175.900 0.771 0.000 1.186 391 Y CA -0.669 57.701 58.100 0.450 0.000 1.200 391 Y CB 1.430 40.044 38.460 0.257 0.000 1.247 391 Y HN 0.448 nan 8.280 nan 0.000 0.482 392 L N 0.719 122.379 121.223 0.729 0.000 2.043 392 L HA -0.223 4.092 4.340 -0.041 0.000 0.212 392 L C 1.699 178.807 176.870 0.396 0.000 1.075 392 L CA 1.804 56.916 54.840 0.453 0.000 0.752 392 L CB -0.338 41.871 42.059 0.250 0.000 0.891 392 L HN 0.769 nan 8.230 nan 0.000 0.432 393 D N -0.425 120.184 120.400 0.349 0.000 2.352 393 D HA -0.014 4.602 4.640 -0.041 0.000 0.232 393 D C 1.389 177.778 176.300 0.148 0.000 1.055 393 D CA 0.881 54.977 54.000 0.160 0.000 0.891 393 D CB 0.198 41.064 40.800 0.110 0.000 0.897 393 D HN 0.379 nan 8.370 nan 0.000 0.529 394 G N -0.572 108.479 108.800 0.419 0.000 2.194 394 G HA2 -0.250 3.686 3.960 -0.041 0.000 0.236 394 G HA3 -0.250 3.686 3.960 -0.041 0.000 0.236 394 G C 0.432 175.804 174.900 0.787 0.000 0.987 394 G CA 0.218 45.598 45.100 0.465 0.000 0.635 394 G HN 0.463 nan 8.290 nan 0.000 0.520 395 T N 1.227 116.166 114.554 0.640 0.000 2.919 395 T HA 0.553 4.878 4.350 -0.041 0.000 0.302 395 T C 0.488 175.565 174.700 0.629 0.000 1.031 395 T CA 0.494 62.919 62.100 0.542 0.000 1.127 395 T CB 1.201 70.208 68.868 0.231 0.000 0.952 395 T HN 0.341 nan 8.240 nan 0.000 0.540 396 I N 2.597 123.457 120.570 0.484 0.000 2.433 396 I HA 0.491 4.636 4.170 -0.041 0.000 0.292 396 I C 0.116 176.391 176.117 0.265 0.000 1.001 396 I CA -0.572 60.905 61.300 0.295 0.000 1.119 396 I CB 1.882 40.022 38.000 0.233 0.000 1.289 396 I HN 0.596 nan 8.210 nan 0.000 0.438 397 E N 5.488 125.801 120.200 0.188 0.000 2.383 397 E HA 0.501 4.826 4.350 -0.041 0.000 0.275 397 E C -2.020 174.419 176.600 -0.268 0.000 0.918 397 E CA -0.657 55.749 56.400 0.010 0.000 0.764 397 E CB 2.702 32.543 29.700 0.235 0.000 1.252 397 E HN 0.406 nan 8.360 nan 0.000 0.449 398 F N 2.200 121.589 119.950 -0.936 0.000 2.551 398 F HA 0.515 5.018 4.527 -0.041 0.000 0.316 398 F C -1.245 174.007 175.800 -0.914 0.000 1.089 398 F CA -0.519 56.711 58.000 -1.284 0.000 0.915 398 F CB 1.841 39.688 39.000 -1.922 0.000 1.186 398 F HN 0.501 nan 8.300 nan 0.000 0.456 399 E N 4.183 123.221 120.200 -1.936 0.000 2.278 399 E HA 0.696 5.021 4.350 -0.041 0.000 0.272 399 E C -1.935 173.801 176.600 -1.439 0.000 0.890 399 E CA -0.964 54.693 56.400 -1.239 0.000 0.770 399 E CB 1.784 31.192 29.700 -0.486 0.000 1.212 399 E HN 0.864 nan 8.360 nan 0.000 0.415 400 A N 4.520 126.741 122.820 -0.999 0.000 2.304 400 A HA 0.539 4.835 4.320 -0.041 0.000 0.323 400 A C -0.821 176.507 177.584 -0.426 0.000 1.195 400 A CA -0.713 50.850 52.037 -0.791 0.000 0.826 400 A CB 0.800 19.195 19.000 -1.007 0.000 1.184 400 A HN 0.549 nan 8.150 nan 0.000 0.496 401 K N 1.801 122.018 120.400 -0.305 0.000 2.339 401 K HA 0.571 4.867 4.320 -0.041 0.000 0.264 401 K C -0.533 176.016 176.600 -0.085 0.000 0.986 401 K CA -0.272 55.926 56.287 -0.148 0.000 0.866 401 K CB 2.080 34.551 32.500 -0.049 0.000 1.103 401 K HN 0.729 nan 8.250 nan 0.000 0.441 402 A N 2.923 125.712 122.820 -0.052 0.000 2.276 402 A HA 0.618 4.914 4.320 -0.041 0.000 0.316 402 A C -0.148 177.371 177.584 -0.108 0.000 1.229 402 A CA -0.194 51.795 52.037 -0.080 0.000 0.851 402 A CB 0.553 19.452 19.000 -0.167 0.000 1.165 402 A HN 0.714 nan 8.150 nan 0.000 0.513 403 T N 0.122 114.602 114.554 -0.124 0.000 2.572 403 T HA 0.923 5.249 4.350 -0.041 0.000 0.274 403 T C 0.584 175.188 174.700 -0.161 0.000 0.949 403 T CA 0.022 62.074 62.100 -0.080 0.000 1.126 403 T CB 0.900 69.777 68.868 0.015 0.000 1.478 403 T HN 2.387 nan 8.240 nan 0.000 0.492 404 G N -0.385 108.321 108.800 -0.158 0.000 2.416 404 G HA2 0.123 4.058 3.960 -0.041 0.000 0.203 404 G HA3 0.123 4.058 3.960 -0.041 0.000 0.203 404 G C -1.480 173.277 174.900 -0.239 0.000 1.227 404 G CA -0.366 44.603 45.100 -0.218 0.000 1.041 404 G HN 1.119 nan 8.290 nan 0.000 0.546 405 V N 1.216 120.947 119.914 -0.306 0.000 2.540 405 V HA 0.624 4.720 4.120 -0.041 0.000 0.302 405 V C 1.073 177.049 176.094 -0.195 0.000 1.035 405 V CA -0.133 62.001 62.300 -0.277 0.000 0.873 405 V CB 1.208 32.755 31.823 -0.459 0.000 0.992 405 V HN 1.689 nan 8.190 nan 0.000 0.428 406 V N 2.184 122.142 119.914 0.072 0.000 2.843 406 V HA 0.342 4.438 4.120 -0.041 0.000 0.305 406 V C -0.138 176.032 176.094 0.126 0.000 1.065 406 V CA -0.234 62.165 62.300 0.165 0.000 1.116 406 V CB 0.222 32.208 31.823 0.273 0.000 0.968 406 V HN 0.628 nan 8.190 nan 0.000 0.487 407 F N 4.439 124.407 119.950 0.031 0.000 2.467 407 F HA 0.512 5.017 4.527 -0.036 0.000 0.362 407 F C 0.994 176.913 175.800 0.198 0.000 1.090 407 F CA 0.296 58.341 58.000 0.075 0.000 1.202 407 F CB 0.755 39.778 39.000 0.037 0.000 1.113 407 F HN 0.985 nan 8.300 nan 0.000 0.541 408 T N 1.788 116.377 114.554 0.059 0.000 2.936 408 T HA 0.811 5.136 4.350 -0.041 0.000 0.282 408 T C -0.166 174.618 174.700 0.140 0.000 1.003 408 T CA -0.302 61.880 62.100 0.138 0.000 1.005 408 T CB 1.628 70.553 68.868 0.095 0.000 1.097 408 T HN 0.700 nan 8.240 nan 0.000 0.532 409 S N -0.468 115.263 115.700 0.052 0.000 2.752 409 S HA 0.790 5.236 4.470 -0.041 0.000 0.284 409 S C -0.653 173.904 174.600 -0.072 0.000 1.189 409 S CA -0.836 57.340 58.200 -0.040 0.000 0.835 409 S CB 0.806 63.986 63.200 -0.033 0.000 1.192 409 S HN 1.373 nan 8.310 nan 0.000 0.506 410 A N 0.438 123.163 122.820 -0.158 0.000 2.302 410 A HA 0.702 4.998 4.320 -0.041 0.000 0.285 410 A C -0.820 176.782 177.584 0.029 0.000 1.105 410 A CA -0.442 51.558 52.037 -0.062 0.000 0.816 410 A CB -0.102 18.844 19.000 -0.090 0.000 1.067 410 A HN 0.915 nan 8.150 nan 0.000 0.489 411 F N 2.959 122.893 119.950 -0.026 0.000 2.404 411 F HA 0.512 5.012 4.527 -0.045 0.000 0.358 411 F C -2.114 173.719 175.800 0.055 0.000 1.120 411 F CA -2.534 55.459 58.000 -0.012 0.000 1.144 411 F CB 0.818 39.804 39.000 -0.023 0.000 1.133 411 F HN 0.308 nan 8.300 nan 0.000 0.495 412 P HA -0.025 nan 4.420 nan 0.000 0.266 412 P C -0.885 176.215 177.300 -0.333 0.000 1.195 412 P CA -0.058 62.871 63.100 -0.285 0.000 0.768 412 P CB 0.436 31.956 31.700 -0.299 0.000 0.838 413 E N 1.738 121.865 120.200 -0.122 0.000 2.324 413 E HA 0.270 4.595 4.350 -0.041 0.000 0.271 413 E C 0.886 177.423 176.600 -0.104 0.000 1.028 413 E CA 0.459 56.815 56.400 -0.075 0.000 0.890 413 E CB -0.405 29.264 29.700 -0.051 0.000 1.004 413 E HN 0.748 nan 8.360 nan 0.000 0.431 414 G N 2.852 111.609 108.800 -0.071 0.000 2.176 414 G HA2 -0.174 3.761 3.960 -0.041 0.000 0.232 414 G HA3 -0.174 3.761 3.960 -0.041 0.000 0.232 414 G C 0.613 175.458 174.900 -0.092 0.000 0.986 414 G CA -0.065 44.999 45.100 -0.060 0.000 0.643 414 G HN 1.426 nan 8.290 nan 0.000 0.522 415 G N -1.503 107.165 108.800 -0.220 0.000 2.741 415 G HA2 0.387 4.322 3.960 -0.041 0.000 0.222 415 G HA3 0.387 4.322 3.960 -0.041 0.000 0.222 415 G C -0.114 174.577 174.900 -0.348 0.000 1.364 415 G CA 0.927 45.862 45.100 -0.274 0.000 0.866 415 G HN 2.226 nan 8.290 nan 0.000 0.555 416 S N -1.512 114.083 115.700 -0.175 0.000 2.537 416 S HA 0.588 5.034 4.470 -0.041 0.000 0.271 416 S C -0.245 174.333 174.600 -0.037 0.000 1.148 416 S CA 0.430 58.542 58.200 -0.147 0.000 0.868 416 S CB 1.739 64.793 63.200 -0.243 0.000 1.115 416 S HN 0.611 nan 8.310 nan 0.000 0.461 417 D N 2.142 122.514 120.400 -0.048 0.000 2.350 417 D HA 0.193 4.809 4.640 -0.041 0.000 0.213 417 D C 0.376 176.650 176.300 -0.044 0.000 1.031 417 D CA 0.538 54.554 54.000 0.027 0.000 0.861 417 D CB 0.036 40.862 40.800 0.045 0.000 0.926 417 D HN 0.608 nan 8.370 nan 0.000 0.520 418 N N -0.576 117.923 118.700 -0.336 0.000 2.194 418 N HA 0.269 4.984 4.740 -0.041 0.000 0.231 418 N C -0.372 174.402 175.510 -1.227 0.000 1.247 418 N CA -0.003 52.631 53.050 -0.693 0.000 0.884 418 N CB 1.706 40.054 38.487 -0.232 0.000 1.146 418 N HN -0.008 nan 8.380 nan 0.000 0.516 419 I N 0.257 120.242 120.570 -0.975 0.000 2.752 419 I HA 0.345 4.490 4.170 -0.041 0.000 0.295 419 I C -0.768 175.347 176.117 -0.005 0.000 1.219 419 I CA -0.988 60.043 61.300 -0.447 0.000 1.030 419 I CB 2.235 40.181 38.000 -0.091 0.000 1.259 419 I HN -0.050 nan 8.210 nan 0.000 0.423 420 S N 3.544 119.386 115.700 0.238 0.000 2.578 420 S HA 0.541 4.986 4.470 -0.041 0.000 0.301 420 S C -0.773 173.792 174.600 -0.059 0.000 1.091 420 S CA -0.802 57.553 58.200 0.259 0.000 1.032 420 S CB 2.102 65.530 63.200 0.379 0.000 1.064 420 S HN 0.673 nan 8.310 nan 0.000 0.508 421 Q N 0.830 120.295 119.800 -0.559 0.000 2.256 421 Q HA 0.459 4.775 4.340 -0.041 0.000 0.254 421 Q C -0.178 175.606 176.000 -0.359 0.000 0.916 421 Q CA -0.525 54.789 55.803 -0.816 0.000 0.932 421 Q CB 0.777 28.639 28.738 -1.459 0.000 1.207 421 Q HN 0.869 nan 8.270 nan 0.000 0.426 422 L N 2.088 123.129 121.223 -0.304 0.000 2.537 422 L HA 0.528 4.844 4.340 -0.041 0.000 0.224 422 L C 0.364 177.085 176.870 -0.248 0.000 1.065 422 L CA 0.163 54.864 54.840 -0.233 0.000 0.860 422 L CB 0.568 42.411 42.059 -0.360 0.000 1.086 422 L HN 0.662 nan 8.230 nan 0.000 0.482 423 A N -1.033 121.601 122.820 -0.310 0.000 2.581 423 A HA 0.628 4.924 4.320 -0.041 0.000 0.290 423 A C -2.734 174.763 177.584 -0.143 0.000 1.119 423 A CA -1.015 50.906 52.037 -0.194 0.000 0.670 423 A CB 0.375 19.230 19.000 -0.241 0.000 1.280 423 A HN -0.232 nan 8.150 nan 0.000 0.425 424 P HA 0.275 nan 4.420 nan 0.000 0.258 424 P C 1.001 178.306 177.300 0.008 0.000 1.187 424 P CA 2.346 65.438 63.100 -0.013 0.000 0.767 424 P CB 0.281 31.990 31.700 0.016 0.000 0.770 425 G N 2.446 111.281 108.800 0.059 0.000 2.189 425 G HA2 -0.286 3.650 3.960 -0.041 0.000 0.267 425 G HA3 -0.286 3.650 3.960 -0.041 0.000 0.267 425 G C -0.104 174.848 174.900 0.086 0.000 0.975 425 G CA -0.088 45.082 45.100 0.116 0.000 0.644 425 G HN 0.563 nan 8.290 nan 0.000 0.537 426 L N 1.848 123.052 121.223 -0.033 0.000 2.264 426 L HA 0.770 5.086 4.340 -0.041 0.000 0.289 426 L C 0.743 177.547 176.870 -0.110 0.000 1.044 426 L CA 0.124 54.879 54.840 -0.141 0.000 0.807 426 L CB 0.974 42.801 42.059 -0.387 0.000 1.192 426 L HN 0.356 nan 8.230 nan 0.000 0.425 427 G N 3.472 112.275 108.800 0.005 0.000 2.509 427 G HA2 0.775 4.710 3.960 -0.041 0.000 0.328 427 G HA3 0.775 4.710 3.960 -0.041 0.000 0.328 427 G C -1.571 173.356 174.900 0.045 0.000 1.194 427 G CA -0.319 44.846 45.100 0.109 0.000 0.967 427 G HN 0.959 nan 8.290 nan 0.000 0.488 428 A N 1.279 124.167 122.820 0.113 0.000 2.499 428 A HA 0.746 5.041 4.320 -0.041 0.000 0.280 428 A C -2.870 174.859 177.584 0.241 0.000 1.135 428 A CA -1.284 50.858 52.037 0.174 0.000 0.744 428 A CB 1.675 20.768 19.000 0.155 0.000 1.213 428 A HN 0.408 nan 8.150 nan 0.000 0.434 429 P HA 0.217 nan 4.420 nan 0.000 0.268 429 P C -0.352 177.214 177.300 0.444 0.000 1.205 429 P CA 0.155 63.405 63.100 0.251 0.000 0.771 429 P CB 0.186 32.075 31.700 0.315 0.000 0.858 430 F N 3.455 123.498 119.950 0.156 0.000 2.506 430 F HA 0.209 4.712 4.527 -0.039 0.000 0.351 430 F C 1.640 177.351 175.800 -0.149 0.000 1.136 430 F CA 0.520 58.496 58.000 -0.040 0.000 1.298 430 F CB -0.465 38.528 39.000 -0.012 0.000 1.145 430 F HN 0.511 nan 8.300 nan 0.000 0.593 431 H N -0.321 118.571 119.070 -0.296 0.000 2.887 431 H HA 0.486 5.018 4.556 -0.040 0.000 0.290 431 H C -1.845 173.188 175.328 -0.491 0.000 1.429 431 H CA -1.126 54.555 56.048 -0.612 0.000 1.137 431 H CB 1.394 30.353 29.762 -1.339 0.000 1.824 431 H HN 0.577 nan 8.280 nan 0.000 0.520 432 Q N 0.205 119.745 119.800 -0.433 0.000 2.451 432 Q HA 0.389 4.705 4.340 -0.041 0.000 0.281 432 Q C -1.116 174.657 176.000 -0.379 0.000 1.099 432 Q CA -0.959 54.644 55.803 -0.334 0.000 0.806 432 Q CB 3.057 31.640 28.738 -0.258 0.000 1.419 432 Q HN 0.537 nan 8.270 nan 0.000 0.427 433 H N 1.414 120.427 119.070 -0.095 0.000 2.762 433 H HA 0.449 4.981 4.556 -0.041 0.000 0.310 433 H C -0.861 174.318 175.328 -0.248 0.000 1.004 433 H CA -0.264 55.687 56.048 -0.161 0.000 1.267 433 H CB 0.832 30.601 29.762 0.011 0.000 1.437 433 H HN 0.440 nan 8.280 nan 0.000 0.498 434 I N 4.153 124.538 120.570 -0.308 0.000 2.389 434 I HA 0.230 4.375 4.170 -0.041 0.000 0.288 434 I C -0.574 175.328 176.117 -0.359 0.000 0.999 434 I CA -0.611 60.550 61.300 -0.232 0.000 1.129 434 I CB 1.013 38.897 38.000 -0.194 0.000 1.288 434 I HN 0.214 nan 8.210 nan 0.000 0.444 435 F N 3.175 122.864 119.950 -0.435 0.000 2.440 435 F HA 0.529 5.032 4.527 -0.040 0.000 0.328 435 F C 0.636 176.198 175.800 -0.397 0.000 1.070 435 F CA -0.891 56.793 58.000 -0.527 0.000 1.011 435 F CB 1.714 40.096 39.000 -1.032 0.000 1.226 435 F HN 0.257 nan 8.300 nan 0.000 0.491 436 S N 1.165 116.868 115.700 0.005 0.000 2.707 436 S HA 0.767 5.212 4.470 -0.041 0.000 0.312 436 S C -0.894 173.794 174.600 0.148 0.000 1.116 436 S CA -0.545 57.692 58.200 0.061 0.000 1.078 436 S CB 0.381 63.416 63.200 -0.275 0.000 0.997 436 S HN 0.838 nan 8.310 nan 0.000 0.477 437 A N 4.882 127.861 122.820 0.264 0.000 2.276 437 A HA 0.607 4.903 4.320 -0.041 0.000 0.300 437 A C 0.172 177.783 177.584 0.045 0.000 1.235 437 A CA -0.656 51.501 52.037 0.200 0.000 0.867 437 A CB 0.351 19.447 19.000 0.159 0.000 1.137 437 A HN 0.848 nan 8.150 nan 0.000 0.527 438 R N 3.529 123.984 120.500 -0.074 0.000 2.215 438 R HA 0.520 4.836 4.340 -0.041 0.000 0.336 438 R C -1.538 174.566 176.300 -0.326 0.000 0.996 438 R CA -0.341 55.501 56.100 -0.431 0.000 0.847 438 R CB 0.278 30.186 30.300 -0.652 0.000 1.127 438 R HN 0.719 nan 8.270 nan 0.000 0.465 439 L N 4.544 125.570 121.223 -0.328 0.000 2.313 439 L HA 0.250 4.566 4.340 -0.041 0.000 0.273 439 L C -0.423 176.324 176.870 -0.205 0.000 1.028 439 L CA -0.854 53.874 54.840 -0.188 0.000 0.871 439 L CB 1.418 43.433 42.059 -0.074 0.000 1.242 439 L HN 0.542 nan 8.230 nan 0.000 0.434 440 D N 4.874 125.162 120.400 -0.186 0.000 2.383 440 D HA 0.144 4.760 4.640 -0.041 0.000 0.245 440 D C 0.248 176.531 176.300 -0.029 0.000 1.263 440 D CA -0.245 53.695 54.000 -0.099 0.000 0.936 440 D CB 0.575 41.330 40.800 -0.076 0.000 1.053 440 D HN 0.141 nan 8.370 nan 0.000 0.507 441 M N 2.285 121.885 119.600 0.000 0.000 2.248 441 M HA 0.326 4.782 4.480 -0.041 0.000 0.337 441 M C 0.434 176.763 176.300 0.048 0.000 1.121 441 M CA -0.315 54.991 55.300 0.010 0.000 1.155 441 M CB 0.701 33.319 32.600 0.029 0.000 1.514 441 M HN 0.490 nan 8.290 nan 0.000 0.452 442 A N 3.646 126.427 122.820 -0.064 0.000 3.339 442 A HA 0.375 4.671 4.320 -0.041 0.000 0.219 442 A C -0.383 177.112 177.584 -0.147 0.000 0.974 442 A CA -0.550 51.362 52.037 -0.208 0.000 1.050 442 A CB 0.098 18.810 19.000 -0.479 0.000 1.271 442 A HN 0.595 nan 8.150 nan 0.000 0.565 443 I N 1.707 122.254 120.570 -0.039 0.000 2.691 443 I HA 0.051 4.197 4.170 -0.041 0.000 0.288 443 I C 0.402 176.578 176.117 0.098 0.000 1.143 443 I CA 0.877 62.219 61.300 0.069 0.000 1.364 443 I CB -1.082 36.995 38.000 0.129 0.000 1.435 443 I HN 0.484 nan 8.210 nan 0.000 0.551 444 D N 4.996 125.478 120.400 0.138 0.000 2.837 444 D HA -0.155 4.461 4.640 -0.041 0.000 0.230 444 D C 0.654 176.918 176.300 -0.059 0.000 1.152 444 D CA 1.668 55.688 54.000 0.033 0.000 0.736 444 D CB -0.740 40.043 40.800 -0.028 0.000 1.084 444 D HN 1.120 nan 8.370 nan 0.000 0.429 445 G N -2.197 106.512 108.800 -0.152 0.000 2.408 445 G HA2 -0.101 3.835 3.960 -0.041 0.000 0.682 445 G HA3 -0.101 3.835 3.960 -0.041 0.000 0.682 445 G C 0.296 175.038 174.900 -0.264 0.000 1.303 445 G CA -0.377 44.568 45.100 -0.259 0.000 0.966 445 G HN 0.034 nan 8.290 nan 0.000 0.560 446 F N 0.757 120.698 119.950 -0.016 0.000 2.661 446 F HA 0.185 4.688 4.527 -0.041 0.000 0.298 446 F C 2.363 178.162 175.800 -0.003 0.000 1.137 446 F CA 1.318 59.303 58.000 -0.025 0.000 1.454 446 F CB 0.078 39.047 39.000 -0.052 0.000 1.103 446 F HN 0.303 nan 8.300 nan 0.000 0.577 447 T N 2.686 117.331 114.554 0.152 0.000 2.978 447 T HA 0.129 4.454 4.350 -0.041 0.000 0.278 447 T C 0.010 174.764 174.700 0.091 0.000 0.945 447 T CA -0.112 62.054 62.100 0.110 0.000 1.070 447 T CB -0.547 68.366 68.868 0.075 0.000 0.948 447 T HN -0.004 nan 8.240 nan 0.000 0.617 448 N N 2.464 121.227 118.700 0.105 0.000 2.545 448 N HA 0.672 5.388 4.740 -0.041 0.000 0.289 448 N C -0.298 175.267 175.510 0.091 0.000 1.279 448 N CA -0.941 52.166 53.050 0.095 0.000 0.824 448 N CB 1.836 40.383 38.487 0.100 0.000 1.395 448 N HN 0.478 nan 8.380 nan 0.000 0.526 449 R N -0.340 120.215 120.500 0.091 0.000 2.710 449 R HA 0.618 4.934 4.340 -0.041 0.000 0.270 449 R C -2.083 174.278 176.300 0.102 0.000 1.021 449 R CA -0.562 55.592 56.100 0.090 0.000 0.889 449 R CB 1.098 31.444 30.300 0.077 0.000 1.243 449 R HN 0.286 nan 8.270 nan 0.000 0.464 450 V N 2.074 122.055 119.914 0.110 0.000 2.604 450 V HA 0.477 4.572 4.120 -0.041 0.000 0.305 450 V C -0.737 175.443 176.094 0.143 0.000 1.043 450 V CA -0.711 61.671 62.300 0.137 0.000 0.888 450 V CB 1.896 33.806 31.823 0.146 0.000 0.995 450 V HN 0.792 nan 8.190 nan 0.000 0.429 451 E N 2.053 122.346 120.200 0.154 0.000 2.266 451 E HA 0.442 4.768 4.350 -0.041 0.000 0.268 451 E C -1.019 175.674 176.600 0.155 0.000 0.879 451 E CA -0.680 55.797 56.400 0.129 0.000 0.762 451 E CB 2.839 32.583 29.700 0.074 0.000 1.199 451 E HN 0.746 nan 8.360 nan 0.000 0.422 452 E N 2.531 122.808 120.200 0.129 0.000 2.167 452 E HA 0.082 4.407 4.350 -0.041 0.000 0.284 452 E C -1.019 175.509 176.600 -0.120 0.000 1.016 452 E CA -0.270 56.124 56.400 -0.009 0.000 0.817 452 E CB 0.930 30.695 29.700 0.109 0.000 1.080 452 E HN 0.383 nan 8.360 nan 0.000 0.397 453 E N 4.274 124.326 120.200 -0.247 0.000 2.133 453 E HA 0.178 4.504 4.350 -0.041 0.000 0.274 453 E C -1.268 175.212 176.600 -0.202 0.000 0.930 453 E CA -0.788 55.511 56.400 -0.170 0.000 0.770 453 E CB 0.948 30.567 29.700 -0.135 0.000 1.104 453 E HN 0.431 nan 8.360 nan 0.000 0.403 454 D N 2.473 122.801 120.400 -0.120 0.000 2.342 454 D HA 0.261 4.877 4.640 -0.041 0.000 0.243 454 D C -0.580 175.692 176.300 -0.046 0.000 1.019 454 D CA -0.548 53.392 54.000 -0.099 0.000 0.864 454 D CB 2.174 42.931 40.800 -0.071 0.000 1.315 454 D HN 0.149 nan 8.370 nan 0.000 0.468 455 V N 1.550 121.441 119.914 -0.038 0.000 2.715 455 V HA 0.205 4.301 4.120 -0.041 0.000 0.299 455 V C 0.156 176.259 176.094 0.015 0.000 1.054 455 V CA -0.255 62.047 62.300 0.004 0.000 1.077 455 V CB 1.441 33.241 31.823 -0.037 0.000 0.972 455 V HN 0.257 nan 8.190 nan 0.000 0.484 456 V N 6.354 126.304 119.914 0.061 0.000 2.409 456 V HA 0.447 4.542 4.120 -0.041 0.000 0.291 456 V C 0.235 176.380 176.094 0.085 0.000 1.020 456 V CA -0.800 61.532 62.300 0.052 0.000 0.848 456 V CB 1.542 33.392 31.823 0.046 0.000 0.990 456 V HN 0.811 nan 8.190 nan 0.000 0.430 457 R N 3.509 124.040 120.500 0.051 0.000 2.459 457 R HA 0.556 4.871 4.340 -0.041 0.000 0.281 457 R C -0.540 175.796 176.300 0.060 0.000 1.050 457 R CA -0.486 55.651 56.100 0.061 0.000 1.055 457 R CB 1.122 31.434 30.300 0.020 0.000 1.045 457 R HN 0.673 nan 8.270 nan 0.000 0.495 458 Q N 0.307 120.151 119.800 0.072 0.000 2.342 458 Q HA 0.227 4.543 4.340 -0.041 0.000 0.267 458 Q C -0.605 175.417 176.000 0.038 0.000 1.038 458 Q CA -0.623 55.210 55.803 0.050 0.000 0.832 458 Q CB 2.468 31.236 28.738 0.050 0.000 1.323 458 Q HN 0.428 nan 8.270 nan 0.000 0.448 459 T N 1.558 116.128 114.554 0.025 0.000 2.897 459 T HA 0.331 4.657 4.350 -0.041 0.000 0.294 459 T C -0.117 174.594 174.700 0.018 0.000 1.004 459 T CA -0.451 61.660 62.100 0.019 0.000 1.106 459 T CB 0.400 69.277 68.868 0.014 0.000 0.949 459 T HN 0.563 nan 8.240 nan 0.000 0.520 460 M N 4.613 124.223 119.600 0.017 0.000 2.238 460 M HA 0.485 4.941 4.480 -0.041 0.000 0.350 460 M C 0.411 176.717 176.300 0.010 0.000 1.321 460 M CA 0.895 56.204 55.300 0.014 0.000 1.097 460 M CB -0.522 32.086 32.600 0.013 0.000 1.713 460 M HN 0.928 nan 8.290 nan 0.000 0.455 461 G N 4.407 113.212 108.800 0.008 0.000 2.367 461 G HA2 0.222 4.157 3.960 -0.041 0.000 0.272 461 G HA3 0.222 4.157 3.960 -0.041 0.000 0.272 461 G C -3.401 171.501 174.900 0.004 0.000 1.271 461 G CA -1.121 43.983 45.100 0.006 0.000 0.893 461 G HN 0.423 nan 8.290 nan 0.000 0.485 462 P HA 0.328 nan 4.420 nan 0.000 0.262 462 P C 0.960 178.260 177.300 -0.000 0.000 1.182 462 P CA 2.277 65.378 63.100 0.001 0.000 0.761 462 P CB 0.746 32.447 31.700 0.001 0.000 0.795 463 G N 2.682 111.480 108.800 -0.002 0.000 2.179 463 G HA2 -0.270 3.665 3.960 -0.041 0.000 0.260 463 G HA3 -0.270 3.665 3.960 -0.041 0.000 0.260 463 G C 0.495 175.392 174.900 -0.005 0.000 0.977 463 G CA 0.314 45.411 45.100 -0.005 0.000 0.641 463 G HN 0.664 nan 8.290 nan 0.000 0.533 464 N N 0.232 118.932 118.700 -0.001 0.000 2.609 464 N HA 0.150 4.866 4.740 -0.041 0.000 0.251 464 N C 1.455 176.968 175.510 0.005 0.000 1.526 464 N CA 0.678 53.729 53.050 0.002 0.000 0.931 464 N CB 0.222 38.713 38.487 0.006 0.000 1.460 464 N HN 0.289 nan 8.380 nan 0.000 0.526 465 E N -0.002 120.200 120.200 0.003 0.000 2.265 465 E HA -0.131 4.195 4.350 -0.041 0.000 0.196 465 E C 0.841 177.445 176.600 0.006 0.000 0.996 465 E CA 0.849 57.252 56.400 0.004 0.000 0.832 465 E CB 0.002 29.703 29.700 0.002 0.000 0.756 465 E HN 0.459 nan 8.360 nan 0.000 0.491 466 R N 0.139 120.643 120.500 0.007 0.000 2.317 466 R HA 0.124 4.440 4.340 -0.041 0.000 0.208 466 R C 0.866 177.175 176.300 0.016 0.000 0.914 466 R CA 0.454 56.560 56.100 0.010 0.000 1.060 466 R CB 0.170 30.475 30.300 0.009 0.000 1.015 466 R HN 0.309 nan 8.270 nan 0.000 0.498 467 G N 2.426 111.237 108.800 0.018 0.000 2.305 467 G HA2 -0.348 3.588 3.960 -0.041 0.000 0.287 467 G HA3 -0.348 3.588 3.960 -0.041 0.000 0.287 467 G C 0.249 175.174 174.900 0.041 0.000 1.036 467 G CA 0.993 46.109 45.100 0.026 0.000 0.887 467 G HN 0.691 nan 8.290 nan 0.000 0.505 468 N N -1.068 117.658 118.700 0.043 0.000 2.294 468 N HA 0.513 5.228 4.740 -0.041 0.000 0.186 468 N C 1.223 176.790 175.510 0.096 0.000 1.107 468 N CA 0.565 53.656 53.050 0.069 0.000 0.884 468 N CB 0.387 38.902 38.487 0.046 0.000 1.030 468 N HN 0.811 nan 8.380 nan 0.000 0.482 469 A N 0.733 123.584 122.820 0.051 0.000 2.462 469 A HA 0.432 4.728 4.320 -0.041 0.000 0.243 469 A C -0.531 177.127 177.584 0.123 0.000 1.076 469 A CA -0.203 51.843 52.037 0.015 0.000 0.773 469 A CB -0.352 18.640 19.000 -0.013 0.000 1.010 469 A HN 0.500 nan 8.150 nan 0.000 0.493 470 F N 0.403 120.348 119.950 -0.009 0.000 2.631 470 F HA 0.814 5.317 4.527 -0.040 0.000 0.308 470 F C -0.282 175.511 175.800 -0.011 0.000 1.097 470 F CA -0.484 57.510 58.000 -0.010 0.000 0.952 470 F CB 1.040 40.033 39.000 -0.011 0.000 1.307 470 F HN 0.589 nan 8.300 nan 0.000 0.450 471 S N 1.110 116.932 115.700 0.204 0.000 3.132 471 S HA 0.846 5.292 4.470 -0.041 0.000 0.322 471 S C -1.512 173.174 174.600 0.143 0.000 1.124 471 S CA -0.813 57.435 58.200 0.079 0.000 0.906 471 S CB 1.485 64.698 63.200 0.021 0.000 1.349 471 S HN 1.132 nan 8.310 nan 0.000 0.686 472 R N 0.672 121.212 120.500 0.066 0.000 2.710 472 R HA 0.601 4.917 4.340 -0.041 0.000 0.270 472 R C -1.974 174.336 176.300 0.018 0.000 1.021 472 R CA -0.903 55.225 56.100 0.047 0.000 0.889 472 R CB 1.292 31.618 30.300 0.043 0.000 1.243 472 R HN 0.716 nan 8.270 nan 0.000 0.464 473 K N 1.686 122.088 120.400 0.003 0.000 2.435 473 K HA 0.598 4.893 4.320 -0.041 0.000 0.251 473 K C -1.153 175.439 176.600 -0.012 0.000 0.954 473 K CA -1.130 55.156 56.287 -0.001 0.000 0.820 473 K CB 2.754 35.255 32.500 0.001 0.000 1.292 473 K HN 0.629 nan 8.250 nan 0.000 0.436 474 R N 1.062 121.561 120.500 -0.003 0.000 2.513 474 R HA 0.362 4.678 4.340 -0.041 0.000 0.301 474 R C -1.182 175.128 176.300 0.016 0.000 0.968 474 R CA -0.855 55.246 56.100 0.001 0.000 0.872 474 R CB 2.550 32.855 30.300 0.007 0.000 1.177 474 R HN 0.659 nan 8.270 nan 0.000 0.444 475 T N 2.147 116.716 114.554 0.026 0.000 2.786 475 T HA 0.162 4.487 4.350 -0.041 0.000 0.283 475 T C -0.503 174.234 174.700 0.062 0.000 0.992 475 T CA -0.529 61.596 62.100 0.041 0.000 0.954 475 T CB 1.687 70.581 68.868 0.044 0.000 0.934 475 T HN 0.266 nan 8.240 nan 0.000 0.440 476 V N 6.071 126.019 119.914 0.057 0.000 2.614 476 V HA 0.431 4.527 4.120 -0.041 0.000 0.291 476 V C -0.349 175.790 176.094 0.073 0.000 1.049 476 V CA -0.532 61.809 62.300 0.069 0.000 1.038 476 V CB 0.235 32.092 31.823 0.057 0.000 0.980 476 V HN 0.753 nan 8.190 nan 0.000 0.481 477 L N 7.171 128.448 121.223 0.089 0.000 2.268 477 L HA 0.338 4.654 4.340 -0.041 0.000 0.289 477 L C 1.457 178.371 176.870 0.074 0.000 1.064 477 L CA 0.123 55.013 54.840 0.084 0.000 0.824 477 L CB 1.110 43.229 42.059 0.099 0.000 1.202 477 L HN 0.931 nan 8.230 nan 0.000 0.433 478 T N -0.669 113.922 114.554 0.061 0.000 3.044 478 T HA 0.184 4.510 4.350 -0.041 0.000 0.255 478 T C 0.926 175.660 174.700 0.057 0.000 1.073 478 T CA 0.023 62.157 62.100 0.056 0.000 1.125 478 T CB 0.344 69.240 68.868 0.046 0.000 0.908 478 T HN 0.313 nan 8.240 nan 0.000 0.480 479 R N 0.751 121.284 120.500 0.055 0.000 2.795 479 R HA 0.477 4.792 4.340 -0.041 0.000 0.275 479 R C 0.606 176.943 176.300 0.062 0.000 0.981 479 R CA -0.665 55.469 56.100 0.055 0.000 0.917 479 R CB 1.315 31.642 30.300 0.044 0.000 1.202 479 R HN 0.222 nan 8.270 nan 0.000 0.469 480 E N 0.501 120.744 120.200 0.072 0.000 2.160 480 E HA -0.170 4.155 4.350 -0.041 0.000 0.195 480 E C 1.201 177.842 176.600 0.069 0.000 0.991 480 E CA 1.917 58.369 56.400 0.087 0.000 0.810 480 E CB 0.160 29.921 29.700 0.102 0.000 0.742 480 E HN 0.626 nan 8.360 nan 0.000 0.466 481 S N 1.006 116.736 115.700 0.051 0.000 2.507 481 S HA -0.158 4.288 4.470 -0.041 0.000 0.235 481 S C 1.463 176.072 174.600 0.016 0.000 0.988 481 S CA 1.146 59.367 58.200 0.034 0.000 0.944 481 S CB -0.292 62.926 63.200 0.030 0.000 0.762 481 S HN 0.448 nan 8.310 nan 0.000 0.526 482 E N 0.105 120.319 120.200 0.023 0.000 2.624 482 E HA 0.545 4.871 4.350 -0.041 0.000 0.210 482 E C 0.767 177.374 176.600 0.012 0.000 0.997 482 E CA 0.123 56.531 56.400 0.013 0.000 0.999 482 E CB 0.434 30.150 29.700 0.027 0.000 1.040 482 E HN 0.457 nan 8.360 nan 0.000 0.469 483 A N 0.948 123.773 122.820 0.008 0.000 2.545 483 A HA 0.318 4.614 4.320 -0.041 0.000 0.277 483 A C 0.197 177.726 177.584 -0.092 0.000 1.301 483 A CA -0.228 51.813 52.037 0.007 0.000 0.935 483 A CB 0.335 19.378 19.000 0.072 0.000 1.093 483 A HN 0.114 nan 8.150 nan 0.000 0.519 484 V N 2.919 122.709 119.914 -0.206 0.000 2.294 484 V HA 0.386 4.482 4.120 -0.041 0.000 0.272 484 V C -0.466 175.396 176.094 -0.387 0.000 1.027 484 V CA -0.710 61.274 62.300 -0.528 0.000 0.823 484 V CB 0.505 31.915 31.823 -0.689 0.000 1.030 484 V HN 0.455 nan 8.190 nan 0.000 0.457 485 R N 3.487 123.766 120.500 -0.370 0.000 2.732 485 R HA 0.658 4.974 4.340 -0.041 0.000 0.278 485 R C -0.115 176.124 176.300 -0.102 0.000 0.976 485 R CA -0.706 55.309 56.100 -0.141 0.000 0.963 485 R CB 2.038 32.349 30.300 0.019 0.000 1.150 485 R HN 0.888 nan 8.270 nan 0.000 0.478 486 E N 0.396 120.651 120.200 0.090 0.000 2.281 486 E HA 0.720 5.045 4.350 -0.041 0.000 0.262 486 E C -0.830 175.980 176.600 0.350 0.000 0.933 486 E CA -1.134 55.350 56.400 0.139 0.000 0.809 486 E CB 1.661 31.402 29.700 0.068 0.000 1.242 486 E HN 0.529 nan 8.360 nan 0.000 0.418 487 A N 1.115 124.135 122.820 0.334 0.000 2.366 487 A HA 0.287 4.582 4.320 -0.041 0.000 0.249 487 A C -0.327 177.362 177.584 0.174 0.000 1.084 487 A CA -0.105 52.147 52.037 0.357 0.000 0.794 487 A CB 0.383 19.576 19.000 0.321 0.000 1.034 487 A HN 0.698 nan 8.150 nan 0.000 0.491 488 D N 0.093 120.548 120.400 0.091 0.000 2.527 488 D HA 0.414 5.030 4.640 -0.041 0.000 0.242 488 D C 0.684 176.987 176.300 0.005 0.000 1.285 488 D CA 0.278 54.299 54.000 0.035 0.000 0.886 488 D CB 0.586 41.389 40.800 0.006 0.000 1.402 488 D HN 0.474 nan 8.370 nan 0.000 0.528 489 A N 2.508 125.349 122.820 0.034 0.000 1.978 489 A HA -0.200 4.096 4.320 -0.041 0.000 0.220 489 A C 1.975 179.556 177.584 -0.005 0.000 1.170 489 A CA 1.267 53.318 52.037 0.023 0.000 0.636 489 A CB -0.073 18.955 19.000 0.046 0.000 0.810 489 A HN 0.444 nan 8.150 nan 0.000 0.448 490 R N -0.070 120.426 120.500 -0.006 0.000 2.105 490 R HA -0.084 4.232 4.340 -0.041 0.000 0.239 490 R C 1.859 178.135 176.300 -0.039 0.000 1.135 490 R CA 1.807 57.895 56.100 -0.020 0.000 0.967 490 R CB -0.908 29.385 30.300 -0.012 0.000 0.861 490 R HN 0.649 nan 8.270 nan 0.000 0.442 491 T N -2.963 111.566 114.554 -0.042 0.000 3.206 491 T HA 0.288 4.613 4.350 -0.041 0.000 0.253 491 T C 1.099 175.755 174.700 -0.074 0.000 1.042 491 T CA 0.034 62.100 62.100 -0.056 0.000 0.931 491 T CB 0.453 69.292 68.868 -0.050 0.000 1.029 491 T HN 0.380 nan 8.240 nan 0.000 0.564 492 G N 2.409 111.168 108.800 -0.069 0.000 2.341 492 G HA2 -0.352 3.584 3.960 -0.041 0.000 0.292 492 G HA3 -0.352 3.584 3.960 -0.041 0.000 0.292 492 G C 0.062 174.883 174.900 -0.132 0.000 1.021 492 G CA 0.228 45.285 45.100 -0.071 0.000 0.905 492 G HN 0.913 nan 8.290 nan 0.000 0.508 493 R N 0.537 120.920 120.500 -0.195 0.000 2.538 493 R HA 0.415 4.731 4.340 -0.041 0.000 0.282 493 R C 0.837 176.761 176.300 -0.628 0.000 1.009 493 R CA 1.057 56.915 56.100 -0.404 0.000 1.063 493 R CB 0.209 30.256 30.300 -0.422 0.000 0.945 493 R HN 0.492 nan 8.270 nan 0.000 0.414 494 T N 0.711 114.800 114.554 -0.775 0.000 2.812 494 T HA 0.527 4.852 4.350 -0.041 0.000 0.294 494 T C -1.085 173.085 174.700 -0.884 0.000 1.159 494 T CA -0.971 60.687 62.100 -0.737 0.000 1.008 494 T CB 1.226 69.843 68.868 -0.418 0.000 1.289 494 T HN 0.564 nan 8.240 nan 0.000 0.514 495 W N 0.683 121.927 121.300 -0.092 0.000 2.683 495 W HA 0.597 5.233 4.660 -0.041 0.000 0.329 495 W C -1.148 175.346 176.519 -0.042 0.000 1.037 495 W CA -1.176 56.141 57.345 -0.047 0.000 1.232 495 W CB 1.645 31.086 29.460 -0.031 0.000 1.390 495 W HN 0.588 nan 8.180 nan 0.000 0.465 496 I N 4.322 124.982 120.570 0.149 0.000 2.354 496 I HA 0.298 4.444 4.170 -0.041 0.000 0.292 496 I C -0.316 175.886 176.117 0.141 0.000 0.989 496 I CA -0.958 60.409 61.300 0.111 0.000 1.188 496 I CB 1.315 39.351 38.000 0.060 0.000 1.342 496 I HN 0.081 nan 8.210 nan 0.000 0.457 497 I N 6.114 126.773 120.570 0.148 0.000 2.312 497 I HA 0.298 4.444 4.170 -0.041 0.000 0.290 497 I C 0.326 176.527 176.117 0.140 0.000 1.008 497 I CA 0.289 61.671 61.300 0.137 0.000 1.226 497 I CB 1.239 39.313 38.000 0.123 0.000 1.371 497 I HN 0.599 nan 8.210 nan 0.000 0.468 498 S N 4.042 119.812 115.700 0.118 0.000 2.671 498 S HA 0.588 5.034 4.470 -0.041 0.000 0.299 498 S C -0.728 173.928 174.600 0.094 0.000 1.116 498 S CA -0.936 57.332 58.200 0.113 0.000 0.912 498 S CB 1.960 65.213 63.200 0.088 0.000 1.130 498 S HN 0.504 nan 8.310 nan 0.000 0.501 499 N N 1.863 120.612 118.700 0.082 0.000 2.558 499 N HA 0.376 5.092 4.740 -0.041 0.000 0.242 499 N C -1.978 173.555 175.510 0.037 0.000 0.979 499 N CA -2.324 50.761 53.050 0.057 0.000 0.931 499 N CB 1.559 40.072 38.487 0.045 0.000 1.122 499 N HN 0.399 nan 8.380 nan 0.000 0.508 500 P HA -0.049 nan 4.420 nan 0.000 0.228 500 P C -0.005 177.305 177.300 0.016 0.000 1.151 500 P CA 1.081 64.198 63.100 0.028 0.000 0.770 500 P CB 0.552 32.273 31.700 0.034 0.000 0.786 501 E N -0.851 119.357 120.200 0.013 0.000 2.501 501 E HA 0.141 4.467 4.350 -0.041 0.000 0.201 501 E C 0.205 176.797 176.600 -0.013 0.000 1.016 501 E CA 0.073 56.475 56.400 0.004 0.000 0.920 501 E CB 0.521 30.227 29.700 0.010 0.000 1.023 501 E HN 0.034 nan 8.360 nan 0.000 0.474 502 S N 1.551 117.238 115.700 -0.021 0.000 2.774 502 S HA 0.282 4.727 4.470 -0.041 0.000 0.297 502 S C -0.771 173.790 174.600 -0.065 0.000 1.143 502 S CA -0.730 57.438 58.200 -0.052 0.000 1.090 502 S CB 0.392 63.551 63.200 -0.069 0.000 1.019 502 S HN -0.136 nan 8.310 nan 0.000 0.482 503 K N 3.197 123.558 120.400 -0.065 0.000 2.123 503 K HA 0.406 4.702 4.320 -0.041 0.000 0.259 503 K C 0.169 176.715 176.600 -0.090 0.000 0.960 503 K CA -0.825 55.424 56.287 -0.063 0.000 0.872 503 K CB 0.943 33.419 32.500 -0.041 0.000 1.079 503 K HN 0.780 nan 8.250 nan 0.000 0.440 504 N N 0.322 118.969 118.700 -0.088 0.000 2.366 504 N HA 0.057 4.773 4.740 -0.041 0.000 0.277 504 N C 0.792 176.268 175.510 -0.058 0.000 1.275 504 N CA -0.433 52.560 53.050 -0.096 0.000 0.964 504 N CB 0.322 38.757 38.487 -0.087 0.000 1.167 504 N HN 0.543 nan 8.380 nan 0.000 0.568 505 R N -0.723 119.750 120.500 -0.046 0.000 2.293 505 R HA 0.019 4.335 4.340 -0.041 0.000 0.219 505 R C 0.509 176.796 176.300 -0.023 0.000 1.091 505 R CA 1.113 57.195 56.100 -0.030 0.000 1.004 505 R CB -0.690 29.597 30.300 -0.021 0.000 0.865 505 R HN 0.562 nan 8.270 nan 0.000 0.469 506 L N 1.122 122.332 121.223 -0.022 0.000 2.685 506 L HA 0.157 4.472 4.340 -0.041 0.000 0.233 506 L C 0.300 177.159 176.870 -0.018 0.000 1.173 506 L CA -0.098 54.731 54.840 -0.017 0.000 0.961 506 L CB -0.627 41.424 42.059 -0.014 0.000 1.217 506 L HN 0.453 nan 8.230 nan 0.000 0.478 507 N N 2.107 120.794 118.700 -0.022 0.000 2.747 507 N HA -0.182 4.534 4.740 -0.041 0.000 0.249 507 N C -0.158 175.342 175.510 -0.017 0.000 1.107 507 N CA 0.664 53.702 53.050 -0.020 0.000 0.707 507 N CB -0.181 38.297 38.487 -0.015 0.000 1.054 507 N HN 0.742 nan 8.380 nan 0.000 0.555 508 E N -0.564 119.624 120.200 -0.020 0.000 2.199 508 E HA 0.582 4.908 4.350 -0.041 0.000 0.269 508 E C -2.907 173.682 176.600 -0.017 0.000 0.899 508 E CA -2.272 54.120 56.400 -0.013 0.000 0.772 508 E CB 1.404 31.099 29.700 -0.008 0.000 1.155 508 E HN -0.034 nan 8.360 nan 0.000 0.408 509 P HA -0.100 nan 4.420 nan 0.000 0.262 509 P C -0.067 177.235 177.300 0.004 0.000 1.182 509 P CA -0.129 62.970 63.100 -0.002 0.000 0.761 509 P CB 0.420 32.130 31.700 0.017 0.000 0.795 510 V N 1.864 121.768 119.914 -0.016 0.000 2.843 510 V HA 0.699 4.794 4.120 -0.041 0.000 0.305 510 V C 0.580 176.760 176.094 0.143 0.000 1.065 510 V CA 0.328 62.631 62.300 0.006 0.000 1.116 510 V CB 0.251 31.975 31.823 -0.165 0.000 0.968 510 V HN 0.738 nan 8.190 nan 0.000 0.487 511 G N 2.214 111.151 108.800 0.227 0.000 2.608 511 G HA2 0.603 4.538 3.960 -0.041 0.000 0.291 511 G HA3 0.603 4.538 3.960 -0.041 0.000 0.291 511 G C -2.306 172.726 174.900 0.220 0.000 1.425 511 G CA -0.743 44.493 45.100 0.228 0.000 0.787 511 G HN 0.776 nan 8.290 nan 0.000 0.484 512 Y N -0.109 120.218 120.300 0.046 0.000 2.457 512 Y HA 0.608 5.133 4.550 -0.041 0.000 0.343 512 Y C 0.047 175.970 175.900 0.038 0.000 0.994 512 Y CA -0.788 57.321 58.100 0.015 0.000 1.031 512 Y CB 2.796 41.232 38.460 -0.040 0.000 1.246 512 Y HN 0.517 nan 8.280 nan 0.000 0.449 513 K N 4.197 124.659 120.400 0.103 0.000 2.235 513 K HA 0.533 4.828 4.320 -0.041 0.000 0.266 513 K C -1.690 174.905 176.600 -0.007 0.000 0.980 513 K CA -0.871 55.419 56.287 0.005 0.000 0.849 513 K CB 1.046 33.479 32.500 -0.111 0.000 1.098 513 K HN 0.627 nan 8.250 nan 0.000 0.445 514 L N 5.032 126.257 121.223 0.004 0.000 2.265 514 L HA 0.286 4.602 4.340 -0.041 0.000 0.288 514 L C -1.355 175.477 176.870 -0.064 0.000 1.058 514 L CA 0.111 54.993 54.840 0.069 0.000 0.809 514 L CB 0.443 42.572 42.059 0.117 0.000 1.179 514 L HN 0.661 nan 8.230 nan 0.000 0.429 515 H N 4.633 123.814 119.070 0.184 0.000 2.581 515 H HA 0.692 5.224 4.556 -0.041 0.000 0.308 515 H C -0.001 175.469 175.328 0.235 0.000 1.040 515 H CA -0.038 56.111 56.048 0.169 0.000 1.231 515 H CB 1.207 31.055 29.762 0.143 0.000 1.396 515 H HN 0.894 nan 8.280 nan 0.000 0.467 516 A N 2.223 125.244 122.820 0.334 0.000 2.264 516 A HA 0.200 4.495 4.320 -0.041 0.000 0.304 516 A C 0.415 178.298 177.584 0.498 0.000 1.100 516 A CA -0.549 51.727 52.037 0.399 0.000 0.839 516 A CB 0.492 19.757 19.000 0.441 0.000 1.121 516 A HN 1.006 nan 8.150 nan 0.000 0.496 517 H N 0.624 119.877 119.070 0.306 0.000 2.548 517 H HA 0.003 4.534 4.556 -0.041 0.000 0.268 517 H C -0.141 175.305 175.328 0.198 0.000 0.975 517 H CA 0.250 56.425 56.048 0.212 0.000 1.195 517 H CB 0.177 30.051 29.762 0.186 0.000 1.397 517 H HN 0.751 nan 8.280 nan 0.000 0.572 518 N N 1.955 120.879 118.700 0.373 0.000 2.735 518 N HA -0.159 4.557 4.740 -0.041 0.000 0.248 518 N C -0.596 175.047 175.510 0.221 0.000 1.083 518 N CA 0.520 53.737 53.050 0.278 0.000 0.703 518 N CB -0.892 37.719 38.487 0.206 0.000 1.005 518 N HN 0.492 nan 8.380 nan 0.000 0.550 519 Q N -0.102 119.845 119.800 0.244 0.000 2.382 519 Q HA 0.375 4.691 4.340 -0.041 0.000 0.229 519 Q C -1.803 174.282 176.000 0.142 0.000 1.006 519 Q CA -1.076 54.837 55.803 0.182 0.000 0.916 519 Q CB 0.126 28.985 28.738 0.202 0.000 1.235 519 Q HN 0.142 nan 8.270 nan 0.000 0.512 520 P HA 0.010 nan 4.420 nan 0.000 0.268 520 P C -0.225 177.103 177.300 0.047 0.000 1.205 520 P CA 0.197 63.336 63.100 0.066 0.000 0.771 520 P CB 0.488 32.214 31.700 0.043 0.000 0.858 521 T N 0.249 114.824 114.554 0.035 0.000 2.891 521 T HA 0.303 4.629 4.350 -0.041 0.000 0.294 521 T C 0.296 174.967 174.700 -0.047 0.000 1.065 521 T CA -0.886 61.215 62.100 0.002 0.000 0.936 521 T CB 0.053 68.932 68.868 0.020 0.000 1.415 521 T HN 0.175 nan 8.240 nan 0.000 0.572 522 L N 1.013 122.181 121.223 -0.092 0.000 2.628 522 L HA 0.144 4.460 4.340 -0.041 0.000 0.274 522 L C 0.835 177.663 176.870 -0.070 0.000 1.209 522 L CA 0.280 55.049 54.840 -0.118 0.000 0.930 522 L CB -0.444 41.516 42.059 -0.165 0.000 1.183 522 L HN 0.641 nan 8.230 nan 0.000 0.492 523 L N 5.032 126.215 121.223 -0.066 0.000 2.375 523 L HA 0.214 4.530 4.340 -0.041 0.000 0.215 523 L C 1.421 178.281 176.870 -0.017 0.000 1.108 523 L CA 0.231 55.053 54.840 -0.030 0.000 0.830 523 L CB -0.511 41.534 42.059 -0.023 0.000 0.959 523 L HN 0.836 nan 8.230 nan 0.000 0.457 524 A N 0.768 123.569 122.820 -0.031 0.000 2.555 524 A HA -0.112 4.184 4.320 -0.041 0.000 0.233 524 A C 0.330 177.915 177.584 0.001 0.000 1.060 524 A CA -0.065 51.966 52.037 -0.011 0.000 0.759 524 A CB -0.086 18.903 19.000 -0.017 0.000 0.995 524 A HN 0.289 nan 8.150 nan 0.000 0.506 525 D N 2.602 123.011 120.400 0.015 0.000 2.525 525 D HA -0.008 4.607 4.640 -0.041 0.000 0.235 525 D C -1.088 175.220 176.300 0.013 0.000 1.137 525 D CA -0.787 53.224 54.000 0.018 0.000 0.868 525 D CB 0.818 41.634 40.800 0.026 0.000 1.180 525 D HN 0.277 nan 8.370 nan 0.000 0.465 526 P HA -0.118 nan 4.420 nan 0.000 0.218 526 P C 1.050 178.356 177.300 0.011 0.000 1.146 526 P CA 1.066 64.170 63.100 0.008 0.000 0.813 526 P CB 0.063 31.768 31.700 0.008 0.000 0.778 527 G N -0.232 108.577 108.800 0.015 0.000 2.985 527 G HA2 0.028 3.964 3.960 -0.041 0.000 0.209 527 G HA3 0.028 3.964 3.960 -0.041 0.000 0.209 527 G C 0.625 175.538 174.900 0.022 0.000 1.165 527 G CA 0.123 45.232 45.100 0.015 0.000 0.776 527 G HN 0.444 nan 8.290 nan 0.000 0.541 528 S N -0.521 115.196 115.700 0.029 0.000 2.600 528 S HA 0.262 4.707 4.470 -0.041 0.000 0.265 528 S C 1.631 176.250 174.600 0.032 0.000 1.325 528 S CA 0.465 58.695 58.200 0.050 0.000 1.002 528 S CB 1.623 64.860 63.200 0.062 0.000 0.921 528 S HN 0.099 nan 8.310 nan 0.000 0.554 529 S N 0.664 116.387 115.700 0.038 0.000 2.368 529 S HA -0.136 4.309 4.470 -0.041 0.000 0.225 529 S C 1.663 176.257 174.600 -0.011 0.000 1.030 529 S CA 1.114 59.280 58.200 -0.057 0.000 0.999 529 S CB -0.804 62.230 63.200 -0.277 0.000 0.844 529 S HN 0.709 nan 8.310 nan 0.000 0.459 530 I N 2.000 122.603 120.570 0.054 0.000 2.394 530 I HA 0.062 4.208 4.170 -0.041 0.000 0.251 530 I C 2.310 178.442 176.117 0.024 0.000 1.136 530 I CA 1.170 62.512 61.300 0.069 0.000 1.425 530 I CB -0.888 37.144 38.000 0.054 0.000 1.079 530 I HN 0.329 nan 8.210 nan 0.000 0.425 531 A N 0.051 122.874 122.820 0.004 0.000 1.969 531 A HA -0.186 4.109 4.320 -0.041 0.000 0.218 531 A C 2.410 179.990 177.584 -0.006 0.000 1.169 531 A CA 1.631 53.658 52.037 -0.016 0.000 0.635 531 A CB -0.508 18.488 19.000 -0.006 0.000 0.810 531 A HN 0.406 nan 8.150 nan 0.000 0.445 532 R N -0.809 119.692 120.500 0.003 0.000 2.075 532 R HA 0.086 4.402 4.340 -0.041 0.000 0.226 532 R C 2.339 178.643 176.300 0.008 0.000 1.114 532 R CA 1.263 57.363 56.100 -0.000 0.000 0.972 532 R CB -0.182 30.111 30.300 -0.011 0.000 0.869 532 R HN 0.467 nan 8.270 nan 0.000 0.437 533 R N -0.523 120.000 120.500 0.039 0.000 2.153 533 R HA 0.127 4.443 4.340 -0.041 0.000 0.218 533 R C 0.502 176.901 176.300 0.165 0.000 1.072 533 R CA 1.114 57.256 56.100 0.070 0.000 0.990 533 R CB 0.338 30.691 30.300 0.089 0.000 0.889 533 R HN 0.060 nan 8.270 nan 0.000 0.452 534 A N 0.103 123.026 122.820 0.170 0.000 3.113 534 A HA 0.505 4.800 4.320 -0.041 0.000 0.307 534 A C 1.029 178.505 177.584 -0.180 0.000 1.025 534 A CA -0.154 51.959 52.037 0.126 0.000 1.012 534 A CB 0.370 19.383 19.000 0.021 0.000 1.085 534 A HN 0.228 nan 8.150 nan 0.000 0.519 535 A N 0.259 123.044 122.820 -0.058 0.000 2.024 535 A HA -0.043 4.253 4.320 -0.041 0.000 0.220 535 A C 1.770 179.341 177.584 -0.021 0.000 1.164 535 A CA 1.784 53.800 52.037 -0.036 0.000 0.643 535 A CB -0.945 18.057 19.000 0.003 0.000 0.806 535 A HN 1.409 nan 8.150 nan 0.000 0.451 536 F N -0.175 119.644 119.950 -0.220 0.000 2.202 536 F HA 0.013 4.515 4.527 -0.041 0.000 0.301 536 F C 2.002 177.869 175.800 0.111 0.000 1.082 536 F CA 0.906 58.681 58.000 -0.374 0.000 1.313 536 F CB -0.824 37.834 39.000 -0.570 0.000 1.024 536 F HN 0.143 nan 8.300 nan 0.000 0.495 537 A N 0.451 122.563 122.820 -1.180 0.000 2.235 537 A HA -0.000 4.295 4.320 -0.041 0.000 0.208 537 A C 2.064 179.503 177.584 -0.242 0.000 1.172 537 A CA 1.245 52.797 52.037 -0.807 0.000 0.786 537 A CB -1.483 16.884 19.000 -1.056 0.000 0.804 537 A HN 0.582 nan 8.150 nan 0.000 0.479 538 T N -3.582 110.930 114.554 -0.071 0.000 3.100 538 T HA 0.207 4.533 4.350 -0.041 0.000 0.253 538 T C 0.576 175.300 174.700 0.039 0.000 1.118 538 T CA 0.188 62.288 62.100 -0.000 0.000 1.058 538 T CB 0.112 68.994 68.868 0.024 0.000 0.953 538 T HN 0.104 nan 8.240 nan 0.000 0.515 539 K N 0.931 121.403 120.400 0.120 0.000 2.477 539 K HA 0.399 4.694 4.320 -0.041 0.000 0.255 539 K C -0.530 176.128 176.600 0.096 0.000 0.952 539 K CA -0.518 55.760 56.287 -0.015 0.000 0.826 539 K CB 2.111 34.364 32.500 -0.412 0.000 1.331 539 K HN -0.059 nan 8.250 nan 0.000 0.437 540 D N 0.234 120.648 120.400 0.024 0.000 2.194 540 D HA 0.007 4.622 4.640 -0.041 0.000 0.204 540 D C -0.012 176.335 176.300 0.078 0.000 0.964 540 D CA 0.718 54.784 54.000 0.110 0.000 0.846 540 D CB 0.329 41.234 40.800 0.175 0.000 0.962 540 D HN 0.112 nan 8.370 nan 0.000 0.490 541 L N -0.281 120.814 121.223 -0.213 0.000 2.464 541 L HA 0.459 4.775 4.340 -0.041 0.000 0.266 541 L C -2.005 174.726 176.870 -0.232 0.000 0.965 541 L CA -0.626 54.060 54.840 -0.256 0.000 0.833 541 L CB 1.544 43.002 42.059 -1.002 0.000 1.296 541 L HN -0.128 nan 8.230 nan 0.000 0.405 542 W N 4.164 125.453 121.300 -0.018 0.000 2.819 542 W HA 0.769 5.405 4.660 -0.041 0.000 0.337 542 W C -1.187 175.435 176.519 0.171 0.000 1.077 542 W CA -0.830 56.539 57.345 0.041 0.000 1.226 542 W CB 2.022 31.483 29.460 0.001 0.000 1.419 542 W HN 0.155 nan 8.180 nan 0.000 0.502 543 V N 2.618 122.744 119.914 0.355 0.000 2.483 543 V HA 0.703 4.798 4.120 -0.041 0.000 0.297 543 V C -0.098 176.187 176.094 0.319 0.000 1.027 543 V CA -0.811 61.681 62.300 0.321 0.000 0.855 543 V CB 1.341 33.269 31.823 0.176 0.000 0.995 543 V HN 0.593 nan 8.190 nan 0.000 0.424 544 T N 1.573 116.364 114.554 0.395 0.000 2.916 544 T HA 0.761 5.087 4.350 -0.041 0.000 0.292 544 T C -0.461 174.379 174.700 0.234 0.000 1.064 544 T CA -0.969 61.318 62.100 0.312 0.000 1.011 544 T CB 2.161 71.264 68.868 0.393 0.000 1.152 544 T HN 0.512 nan 8.240 nan 0.000 0.510 545 R N 0.788 121.381 120.500 0.156 0.000 2.390 545 R HA 0.352 4.668 4.340 -0.041 0.000 0.291 545 R C -0.767 175.592 176.300 0.098 0.000 1.070 545 R CA -0.853 55.317 56.100 0.117 0.000 1.014 545 R CB -0.416 29.928 30.300 0.073 0.000 1.007 545 R HN 0.779 nan 8.270 nan 0.000 0.466 546 Y N 3.034 123.328 120.300 -0.010 0.000 2.683 546 Y HA 0.301 4.827 4.550 -0.041 0.000 0.340 546 Y C -0.750 175.095 175.900 -0.092 0.000 1.245 546 Y CA 0.848 58.910 58.100 -0.065 0.000 1.485 546 Y CB 0.548 38.929 38.460 -0.130 0.000 1.328 546 Y HN 0.741 nan 8.280 nan 0.000 0.603 547 A N 5.355 127.463 122.820 -1.186 0.000 2.491 547 A HA 0.197 4.492 4.320 -0.041 0.000 0.293 547 A C 0.228 177.153 177.584 -1.100 0.000 1.047 547 A CA -0.229 51.247 52.037 -0.935 0.000 0.735 547 A CB 0.502 19.206 19.000 -0.494 0.000 1.281 547 A HN 0.869 nan 8.150 nan 0.000 0.398 548 D N 1.948 121.870 120.400 -0.796 0.000 2.271 548 D HA -0.215 4.401 4.640 -0.041 0.000 0.207 548 D C 0.368 176.487 176.300 -0.301 0.000 0.983 548 D CA 1.684 55.439 54.000 -0.407 0.000 0.878 548 D CB 0.083 40.800 40.800 -0.139 0.000 0.920 548 D HN 0.627 nan 8.370 nan 0.000 0.479 549 D N -0.209 119.997 120.400 -0.324 0.000 2.395 549 D HA -0.002 4.614 4.640 -0.041 0.000 0.213 549 D C -0.270 175.827 176.300 -0.338 0.000 1.110 549 D CA -0.246 53.602 54.000 -0.252 0.000 0.835 549 D CB -0.395 40.304 40.800 -0.168 0.000 0.965 549 D HN 0.228 nan 8.370 nan 0.000 0.505 550 E N 0.957 120.873 120.200 -0.473 0.000 2.167 550 E HA 0.322 4.647 4.350 -0.041 0.000 0.247 550 E C 0.385 176.822 176.600 -0.272 0.000 0.961 550 E CA -0.245 55.770 56.400 -0.641 0.000 0.797 550 E CB 1.216 30.331 29.700 -0.975 0.000 1.182 550 E HN 0.100 nan 8.360 nan 0.000 0.437 551 R N 0.980 121.299 120.500 -0.301 0.000 2.221 551 R HA 0.127 4.443 4.340 -0.041 0.000 0.195 551 R C -0.140 175.837 176.300 -0.540 0.000 0.956 551 R CA 0.568 56.341 56.100 -0.545 0.000 1.064 551 R CB 0.568 30.243 30.300 -1.042 0.000 1.049 551 R HN 0.282 nan 8.270 nan 0.000 0.534 552 Y N -0.011 120.409 120.300 0.201 0.000 2.462 552 Y HA 0.302 4.828 4.550 -0.040 0.000 0.346 552 Y C -1.800 174.076 175.900 -0.040 0.000 0.976 552 Y CA -3.155 55.011 58.100 0.110 0.000 1.044 552 Y CB 1.319 39.730 38.460 -0.081 0.000 1.230 552 Y HN -0.176 nan 8.280 nan 0.000 0.455 553 P HA -0.082 nan 4.420 nan 0.000 0.230 553 P C 0.623 177.624 177.300 -0.498 0.000 1.158 553 P CA 1.411 64.138 63.100 -0.621 0.000 0.769 553 P CB 0.195 31.426 31.700 -0.782 0.000 0.807 554 T N -4.864 109.511 114.554 -0.299 0.000 3.044 554 T HA 0.511 4.836 4.350 -0.041 0.000 0.260 554 T C 0.895 175.417 174.700 -0.297 0.000 1.019 554 T CA 0.121 62.074 62.100 -0.245 0.000 0.921 554 T CB 0.032 68.808 68.868 -0.154 0.000 1.053 554 T HN 0.334 nan 8.240 nan 0.000 0.533 555 G N 1.329 110.013 108.800 -0.194 0.000 2.710 555 G HA2 -0.149 3.786 3.960 -0.041 0.000 0.668 555 G HA3 -0.149 3.786 3.960 -0.041 0.000 0.668 555 G C -0.256 174.581 174.900 -0.105 0.000 1.320 555 G CA -0.116 44.894 45.100 -0.151 0.000 0.860 555 G HN 0.132 nan 8.290 nan 0.000 0.538 556 D N -0.599 119.679 120.400 -0.204 0.000 2.162 556 D HA 0.071 4.686 4.640 -0.041 0.000 0.203 556 D C 0.844 176.630 176.300 -0.857 0.000 0.967 556 D CA 1.471 55.174 54.000 -0.495 0.000 0.840 556 D CB -0.012 40.331 40.800 -0.762 0.000 0.972 556 D HN 0.224 nan 8.370 nan 0.000 0.482 557 F N 0.297 120.150 119.950 -0.163 0.000 2.443 557 F HA 0.217 4.719 4.527 -0.041 0.000 0.369 557 F C 1.119 176.808 175.800 -0.186 0.000 1.090 557 F CA -0.635 57.258 58.000 -0.178 0.000 1.129 557 F CB 1.277 40.170 39.000 -0.178 0.000 1.367 557 F HN -0.359 nan 8.300 nan 0.000 0.465 558 V N 0.117 119.943 119.914 -0.147 0.000 2.407 558 V HA -0.180 3.916 4.120 -0.041 0.000 0.245 558 V C 1.265 177.235 176.094 -0.207 0.000 1.041 558 V CA 0.727 62.854 62.300 -0.289 0.000 1.040 558 V CB -0.503 31.031 31.823 -0.482 0.000 0.671 558 V HN 0.682 nan 8.190 nan 0.000 0.455 559 N N 1.441 120.070 118.700 -0.119 0.000 2.315 559 N HA -0.104 4.612 4.740 -0.041 0.000 0.270 559 N C 0.556 176.042 175.510 -0.040 0.000 1.329 559 N CA 0.775 53.781 53.050 -0.074 0.000 0.860 559 N CB -0.313 38.145 38.487 -0.050 0.000 1.095 559 N HN 0.499 nan 8.380 nan 0.000 0.487 560 Q N -0.197 119.578 119.800 -0.042 0.000 2.461 560 Q HA -0.310 4.005 4.340 -0.041 0.000 0.264 560 Q C -0.638 175.324 176.000 -0.064 0.000 1.085 560 Q CA 0.797 56.572 55.803 -0.046 0.000 1.006 560 Q CB -1.578 27.134 28.738 -0.043 0.000 1.437 560 Q HN 0.671 nan 8.270 nan 0.000 0.514 561 H N -0.153 118.835 119.070 -0.135 0.000 2.580 561 H HA 0.195 4.726 4.556 -0.041 0.000 0.322 561 H C 1.112 176.360 175.328 -0.132 0.000 1.082 561 H CA 0.848 56.821 56.048 -0.124 0.000 1.383 561 H CB 1.633 31.318 29.762 -0.128 0.000 1.450 561 H HN 0.186 nan 8.280 nan 0.000 0.505 562 S N 2.855 118.312 115.700 -0.405 0.000 2.380 562 S HA -0.076 4.369 4.470 -0.041 0.000 0.229 562 S C 0.747 175.324 174.600 -0.039 0.000 1.043 562 S CA 1.493 59.561 58.200 -0.219 0.000 1.038 562 S CB -0.331 62.697 63.200 -0.287 0.000 0.872 562 S HN 1.143 nan 8.310 nan 0.000 0.456 563 G N -2.882 106.018 108.800 0.167 0.000 2.340 563 G HA2 0.446 4.382 3.960 -0.041 0.000 0.527 563 G HA3 0.446 4.382 3.960 -0.041 0.000 0.527 563 G C 0.600 175.542 174.900 0.070 0.000 1.381 563 G CA 0.043 45.196 45.100 0.089 0.000 1.001 563 G HN 1.263 nan 8.290 nan 0.000 0.626 564 G N -1.221 107.573 108.800 -0.010 0.000 2.220 564 G HA2 0.166 4.101 3.960 -0.041 0.000 0.269 564 G HA3 0.166 4.101 3.960 -0.041 0.000 0.269 564 G C 1.239 176.062 174.900 -0.128 0.000 0.977 564 G CA 1.610 46.679 45.100 -0.051 0.000 0.634 564 G HN 2.529 nan 8.290 nan 0.000 0.539 565 A N -0.372 122.346 122.820 -0.169 0.000 2.327 565 A HA 0.799 5.094 4.320 -0.041 0.000 0.255 565 A C 1.981 179.283 177.584 -0.470 0.000 1.099 565 A CA 1.824 53.669 52.037 -0.319 0.000 0.801 565 A CB -0.015 18.640 19.000 -0.576 0.000 1.062 565 A HN 2.484 nan 8.150 nan 0.000 0.496 566 G N -1.029 107.379 108.800 -0.653 0.000 2.527 566 G HA2 -0.251 3.685 3.960 -0.041 0.000 0.268 566 G HA3 -0.251 3.685 3.960 -0.041 0.000 0.268 566 G C 0.911 174.787 174.900 -1.707 0.000 1.175 566 G CA 0.357 44.766 45.100 -1.150 0.000 0.962 566 G HN 1.170 nan 8.290 nan 0.000 0.560 567 L N 1.701 122.120 121.223 -1.340 0.000 2.010 567 L HA -0.149 4.167 4.340 -0.041 0.000 0.219 567 L C 0.338 176.822 176.870 -0.644 0.000 1.077 567 L CA 2.887 57.052 54.840 -1.125 0.000 0.773 567 L CB -1.423 39.761 42.059 -1.459 0.000 0.892 567 L HN 0.425 nan 8.230 nan 0.000 0.436 568 P HA -0.152 nan 4.420 nan 0.000 0.218 568 P C 1.821 179.038 177.300 -0.139 0.000 1.148 568 P CA 1.465 64.481 63.100 -0.140 0.000 0.822 568 P CB 0.097 31.738 31.700 -0.097 0.000 0.784 569 S N -2.066 113.467 115.700 -0.279 0.000 2.362 569 S HA -0.122 4.324 4.470 -0.041 0.000 0.221 569 S C 1.765 176.357 174.600 -0.014 0.000 1.032 569 S CA 0.750 58.859 58.200 -0.152 0.000 0.973 569 S CB -0.891 62.201 63.200 -0.180 0.000 0.849 569 S HN -0.044 nan 8.310 nan 0.000 0.465 570 Y N 2.035 122.261 120.300 -0.122 0.000 2.097 570 Y HA -0.052 4.473 4.550 -0.041 0.000 0.282 570 Y C 2.419 178.293 175.900 -0.043 0.000 1.152 570 Y CA 0.026 58.063 58.100 -0.103 0.000 1.136 570 Y CB -1.223 37.133 38.460 -0.173 0.000 0.975 570 Y HN 0.227 nan 8.280 nan 0.000 0.498 571 I N 0.204 120.851 120.570 0.128 0.000 2.315 571 I HA -0.305 3.841 4.170 -0.041 0.000 0.251 571 I C 2.445 178.617 176.117 0.091 0.000 1.125 571 I CA 1.529 62.906 61.300 0.127 0.000 1.392 571 I CB -1.565 36.546 38.000 0.184 0.000 1.065 571 I HN 0.184 nan 8.210 nan 0.000 0.424 572 A N -0.071 122.789 122.820 0.067 0.000 2.076 572 A HA -0.228 4.068 4.320 -0.041 0.000 0.220 572 A C 2.151 179.764 177.584 0.048 0.000 1.160 572 A CA 1.204 53.271 52.037 0.049 0.000 0.653 572 A CB -0.556 18.463 19.000 0.031 0.000 0.801 572 A HN 0.539 nan 8.150 nan 0.000 0.455 573 Q N -1.408 118.427 119.800 0.058 0.000 2.291 573 Q HA -0.093 4.222 4.340 -0.041 0.000 0.205 573 Q C 0.128 176.154 176.000 0.043 0.000 0.970 573 Q CA 0.527 56.357 55.803 0.045 0.000 0.876 573 Q CB -0.005 28.759 28.738 0.043 0.000 0.935 573 Q HN 0.602 nan 8.270 nan 0.000 0.455 574 D N 0.664 121.096 120.400 0.053 0.000 2.689 574 D HA -0.171 4.445 4.640 -0.041 0.000 0.237 574 D C -0.958 175.371 176.300 0.047 0.000 1.148 574 D CA 0.590 54.620 54.000 0.050 0.000 0.656 574 D CB -0.574 40.250 40.800 0.039 0.000 1.050 574 D HN 0.216 nan 8.370 nan 0.000 0.426 575 R N 0.359 120.890 120.500 0.053 0.000 2.637 575 R HA 0.340 4.656 4.340 -0.041 0.000 0.269 575 R C 0.252 176.584 176.300 0.054 0.000 1.089 575 R CA -0.541 55.587 56.100 0.047 0.000 1.177 575 R CB 0.399 30.725 30.300 0.045 0.000 1.091 575 R HN 0.170 nan 8.270 nan 0.000 0.540 576 D N 1.658 122.087 120.400 0.049 0.000 2.383 576 D HA 0.042 4.657 4.640 -0.041 0.000 0.252 576 D C 0.498 176.836 176.300 0.063 0.000 1.166 576 D CA -0.099 53.932 54.000 0.052 0.000 0.879 576 D CB 0.568 41.394 40.800 0.044 0.000 1.164 576 D HN 0.546 nan 8.370 nan 0.000 0.462 577 I N -0.169 120.444 120.570 0.071 0.000 4.009 577 I HA 0.354 4.500 4.170 -0.041 0.000 0.331 577 I C 0.156 176.321 176.117 0.080 0.000 1.462 577 I CA -0.505 60.846 61.300 0.084 0.000 1.117 577 I CB 0.450 38.510 38.000 0.100 0.000 1.091 577 I HN 0.087 nan 8.210 nan 0.000 0.410 578 D N 2.927 123.368 120.400 0.068 0.000 2.468 578 D HA 0.358 4.974 4.640 -0.041 0.000 0.218 578 D C 1.047 177.383 176.300 0.060 0.000 1.155 578 D CA 0.475 54.513 54.000 0.063 0.000 0.924 578 D CB 0.471 41.303 40.800 0.054 0.000 1.029 578 D HN 0.545 nan 8.370 nan 0.000 0.515 579 G N 3.252 112.092 108.800 0.067 0.000 2.370 579 G HA2 -0.178 3.757 3.960 -0.041 0.000 0.268 579 G HA3 -0.178 3.757 3.960 -0.041 0.000 0.268 579 G C -0.111 174.831 174.900 0.070 0.000 1.122 579 G CA -0.314 44.825 45.100 0.065 0.000 0.963 579 G HN 0.477 nan 8.290 nan 0.000 0.500 580 Q N -0.723 119.126 119.800 0.082 0.000 2.683 580 Q HA 0.399 4.714 4.340 -0.041 0.000 0.302 580 Q C -0.990 175.072 176.000 0.104 0.000 1.042 580 Q CA -0.923 54.930 55.803 0.083 0.000 0.773 580 Q CB 1.063 29.845 28.738 0.074 0.000 1.508 580 Q HN 0.237 nan 8.270 nan 0.000 0.459 581 D N 1.903 122.355 120.400 0.086 0.000 2.344 581 D HA 0.292 4.908 4.640 -0.041 0.000 0.253 581 D C -0.349 176.016 176.300 0.108 0.000 1.255 581 D CA 0.075 54.115 54.000 0.067 0.000 0.894 581 D CB -0.265 40.471 40.800 -0.107 0.000 1.067 581 D HN 0.438 nan 8.370 nan 0.000 0.492 582 I N 0.001 120.649 120.570 0.130 0.000 3.067 582 I HA 0.696 4.841 4.170 -0.041 0.000 0.312 582 I C -0.980 175.205 176.117 0.114 0.000 1.073 582 I CA -1.081 60.302 61.300 0.137 0.000 1.016 582 I CB 2.212 40.290 38.000 0.129 0.000 1.227 582 I HN -0.083 nan 8.210 nan 0.000 0.456 583 V N 3.229 123.212 119.914 0.114 0.000 2.638 583 V HA 0.420 4.516 4.120 -0.041 0.000 0.306 583 V C -0.237 175.850 176.094 -0.011 0.000 1.052 583 V CA -0.652 61.633 62.300 -0.024 0.000 0.885 583 V CB 1.877 33.640 31.823 -0.101 0.000 0.999 583 V HN 0.565 nan 8.190 nan 0.000 0.424 584 V N 3.546 123.388 119.914 -0.120 0.000 2.427 584 V HA 0.475 4.571 4.120 -0.041 0.000 0.286 584 V C -1.137 174.899 176.094 -0.097 0.000 1.034 584 V CA -0.465 61.837 62.300 0.003 0.000 0.893 584 V CB 1.629 33.451 31.823 -0.002 0.000 0.982 584 V HN 0.919 nan 8.190 nan 0.000 0.452 585 W N 3.948 125.300 121.300 0.086 0.000 2.336 585 W HA 0.504 5.139 4.660 -0.041 0.000 0.315 585 W C -0.184 176.444 176.519 0.181 0.000 1.016 585 W CA -0.632 56.767 57.345 0.091 0.000 1.318 585 W CB 0.528 30.013 29.460 0.041 0.000 1.247 585 W HN 0.598 nan 8.180 nan 0.000 0.414 586 H N 1.754 120.924 119.070 0.166 0.000 2.519 586 H HA 0.494 5.026 4.556 -0.040 0.000 0.316 586 H C -0.265 175.259 175.328 0.328 0.000 1.065 586 H CA -0.239 55.873 56.048 0.107 0.000 1.264 586 H CB 0.930 30.557 29.762 -0.224 0.000 1.413 586 H HN 0.173 nan 8.280 nan 0.000 0.465 587 T N 7.154 121.752 114.554 0.072 0.000 2.817 587 T HA 0.422 4.747 4.350 -0.041 0.000 0.293 587 T C -0.962 173.657 174.700 -0.134 0.000 0.964 587 T CA -0.178 61.970 62.100 0.080 0.000 1.085 587 T CB -0.251 68.754 68.868 0.229 0.000 0.921 587 T HN 0.508 nan 8.240 nan 0.000 0.502 588 F N -0.232 119.632 119.950 -0.144 0.000 2.635 588 F HA 0.797 5.299 4.527 -0.040 0.000 0.314 588 F C -0.318 175.587 175.800 0.175 0.000 1.119 588 F CA -1.099 56.866 58.000 -0.059 0.000 1.000 588 F CB 0.943 39.862 39.000 -0.135 0.000 1.278 588 F HN 0.801 nan 8.300 nan 0.000 0.446 589 G N 1.984 110.902 108.800 0.197 0.000 0.000 589 G HA2 0.625 4.561 3.960 -0.041 0.000 0.000 589 G HA3 0.625 4.561 3.960 -0.041 0.000 0.000 589 G C -2.444 172.569 174.900 0.189 0.000 0.000 589 G CA -1.161 44.061 45.100 0.203 0.000 0.000 589 G HN 0.826 nan 8.290 nan 0.000 0.000 590 L N 0.479 121.811 121.223 0.181 0.000 2.317 590 L HA 0.556 4.872 4.340 -0.041 0.000 0.281 590 L C -0.136 176.741 176.870 0.011 0.000 1.024 590 L CA -0.658 54.245 54.840 0.105 0.000 0.810 590 L CB 2.331 44.455 42.059 0.109 0.000 1.240 590 L HN 0.414 nan 8.230 nan 0.000 0.427 591 T N 1.085 115.590 114.554 -0.081 0.000 2.770 591 T HA 0.226 4.552 4.350 -0.041 0.000 0.297 591 T C -0.590 173.891 174.700 -0.364 0.000 0.997 591 T CA -0.226 61.713 62.100 -0.269 0.000 0.949 591 T CB 0.030 68.742 68.868 -0.260 0.000 0.941 591 T HN 0.411 nan 8.240 nan 0.000 0.457 592 H N 3.110 121.793 119.070 -0.645 0.000 2.556 592 H HA 0.391 4.923 4.556 -0.039 0.000 0.310 592 H C -1.102 173.771 175.328 -0.759 0.000 1.057 592 H CA -1.070 54.614 56.048 -0.606 0.000 1.264 592 H CB 0.359 29.774 29.762 -0.577 0.000 1.404 592 H HN 0.438 nan 8.280 nan 0.000 0.462 593 F N 6.669 126.532 119.950 -0.144 0.000 2.307 593 F HA 0.275 4.777 4.527 -0.042 0.000 0.369 593 F C -2.053 173.712 175.800 -0.058 0.000 1.076 593 F CA -2.545 55.225 58.000 -0.384 0.000 1.149 593 F CB 0.841 39.497 39.000 -0.573 0.000 1.410 593 F HN 0.520 nan 8.300 nan 0.000 0.481 594 P HA 0.003 nan 4.420 nan 0.000 0.263 594 P C -0.344 177.060 177.300 0.173 0.000 1.175 594 P CA 0.084 63.186 63.100 0.004 0.000 0.761 594 P CB 0.503 32.165 31.700 -0.063 0.000 0.794 595 R N 1.762 122.382 120.500 0.201 0.000 2.828 595 R HA 0.414 4.730 4.340 -0.041 0.000 0.264 595 R C 0.474 176.860 176.300 0.143 0.000 1.022 595 R CA -0.854 55.336 56.100 0.149 0.000 1.021 595 R CB 0.290 30.671 30.300 0.136 0.000 1.163 595 R HN 0.073 nan 8.270 nan 0.000 0.494 596 V N 1.274 121.249 119.914 0.101 0.000 2.453 596 V HA -0.245 3.851 4.120 -0.041 0.000 0.252 596 V C 1.635 177.823 176.094 0.155 0.000 1.068 596 V CA 2.143 64.511 62.300 0.114 0.000 1.070 596 V CB -0.757 31.105 31.823 0.066 0.000 0.664 596 V HN 0.773 nan 8.190 nan 0.000 0.461 597 E N -0.125 120.146 120.200 0.119 0.000 2.409 597 E HA -0.148 4.177 4.350 -0.041 0.000 0.198 597 E C 1.645 178.313 176.600 0.114 0.000 1.024 597 E CA 0.775 57.235 56.400 0.099 0.000 0.861 597 E CB -0.243 29.497 29.700 0.067 0.000 0.788 597 E HN 0.582 nan 8.360 nan 0.000 0.521 598 D N -0.899 119.605 120.400 0.173 0.000 2.347 598 D HA -0.076 4.539 4.640 -0.041 0.000 0.213 598 D C -0.195 176.231 176.300 0.210 0.000 0.985 598 D CA 0.307 54.423 54.000 0.192 0.000 0.879 598 D CB 0.097 41.068 40.800 0.286 0.000 0.919 598 D HN 0.222 nan 8.370 nan 0.000 0.526 599 W N 2.387 123.713 121.300 0.043 0.000 2.496 599 W HA 0.197 4.831 4.660 -0.042 0.000 0.327 599 W C -1.815 174.729 176.519 0.042 0.000 1.086 599 W CA -1.922 55.447 57.345 0.041 0.000 1.222 599 W CB 1.904 31.386 29.460 0.037 0.000 1.304 599 W HN -0.167 nan 8.180 nan 0.000 0.547 600 P HA 0.090 nan 4.420 nan 0.000 0.235 600 P C -0.015 176.815 177.300 -0.784 0.000 1.177 600 P CA 0.812 62.987 63.100 -1.541 0.000 0.785 600 P CB 1.435 32.539 31.700 -0.993 0.000 0.885 601 I N 0.561 120.857 120.570 -0.457 0.000 2.569 601 I HA 0.291 4.437 4.170 -0.041 0.000 0.290 601 I C -0.376 175.596 176.117 -0.243 0.000 1.088 601 I CA -1.844 59.188 61.300 -0.447 0.000 1.047 601 I CB 2.275 39.761 38.000 -0.856 0.000 1.237 601 I HN -0.252 nan 8.210 nan 0.000 0.421 602 M N 7.904 127.416 119.600 -0.147 0.000 2.211 602 M HA 0.615 5.071 4.480 -0.041 0.000 0.356 602 M C -2.626 173.632 176.300 -0.070 0.000 1.216 602 M CA -1.220 54.052 55.300 -0.048 0.000 1.134 602 M CB 0.457 33.086 32.600 0.049 0.000 1.564 602 M HN 0.208 nan 8.290 nan 0.000 0.463 603 P HA 0.176 nan 4.420 nan 0.000 0.275 603 P C -0.677 176.598 177.300 -0.043 0.000 1.228 603 P CA -0.515 62.556 63.100 -0.047 0.000 0.786 603 P CB 0.821 32.503 31.700 -0.030 0.000 0.927 604 V N 3.123 123.016 119.914 -0.036 0.000 2.617 604 V HA -0.029 4.067 4.120 -0.041 0.000 0.304 604 V C 0.624 176.686 176.094 -0.054 0.000 1.040 604 V CA 1.084 63.367 62.300 -0.029 0.000 1.149 604 V CB 0.024 31.849 31.823 0.003 0.000 0.914 604 V HN 0.595 nan 8.190 nan 0.000 0.487 605 D N 2.268 122.620 120.400 -0.079 0.000 2.350 605 D HA 0.731 5.346 4.640 -0.041 0.000 0.238 605 D C -0.266 175.982 176.300 -0.086 0.000 0.989 605 D CA -0.168 53.777 54.000 -0.092 0.000 0.921 605 D CB 2.336 43.050 40.800 -0.143 0.000 1.297 605 D HN 0.733 nan 8.370 nan 0.000 0.490 606 T N -1.605 112.908 114.554 -0.067 0.000 2.896 606 T HA 0.790 5.116 4.350 -0.041 0.000 0.297 606 T C -0.600 174.096 174.700 -0.008 0.000 1.108 606 T CA -0.676 61.379 62.100 -0.075 0.000 1.004 606 T CB 1.200 70.014 68.868 -0.091 0.000 1.159 606 T HN 0.254 nan 8.240 nan 0.000 0.499 607 V N -1.485 118.408 119.914 -0.034 0.000 3.216 607 V HA 1.033 5.129 4.120 -0.041 0.000 0.302 607 V C 0.343 176.371 176.094 -0.110 0.000 1.286 607 V CA -0.274 62.075 62.300 0.082 0.000 1.048 607 V CB 1.230 33.168 31.823 0.191 0.000 1.081 607 V HN 1.633 nan 8.190 nan 0.000 0.442 608 G N 0.348 108.924 108.800 -0.374 0.000 2.356 608 G HA2 0.796 4.732 3.960 -0.041 0.000 0.281 608 G HA3 0.796 4.732 3.960 -0.041 0.000 0.281 608 G C -1.712 172.579 174.900 -1.014 0.000 1.246 608 G CA 0.201 44.882 45.100 -0.699 0.000 0.889 608 G HN 2.027 nan 8.290 nan 0.000 0.486 609 F N -1.175 118.383 119.950 -0.653 0.000 2.807 609 F HA 0.867 5.370 4.527 -0.041 0.000 0.316 609 F C -1.038 174.734 175.800 -0.046 0.000 1.162 609 F CA -0.978 56.832 58.000 -0.317 0.000 0.910 609 F CB 1.501 40.346 39.000 -0.259 0.000 1.314 609 F HN 0.854 nan 8.300 nan 0.000 0.454 610 K N 0.857 121.411 120.400 0.257 0.000 2.555 610 K HA 0.836 5.132 4.320 -0.041 0.000 0.279 610 K C -2.482 174.357 176.600 0.398 0.000 0.986 610 K CA -1.044 55.378 56.287 0.226 0.000 0.880 610 K CB 2.616 35.220 32.500 0.172 0.000 1.474 610 K HN 0.735 nan 8.250 nan 0.000 0.433 611 L N 1.410 122.869 121.223 0.393 0.000 2.385 611 L HA 0.572 4.887 4.340 -0.041 0.000 0.273 611 L C -0.665 176.480 176.870 0.458 0.000 0.990 611 L CA -0.552 54.548 54.840 0.433 0.000 0.821 611 L CB 2.105 44.433 42.059 0.449 0.000 1.279 611 L HN 0.582 nan 8.230 nan 0.000 0.412 612 R N 3.122 123.818 120.500 0.326 0.000 2.637 612 R HA 0.558 4.874 4.340 -0.041 0.000 0.291 612 R C -2.564 173.528 176.300 -0.347 0.000 0.963 612 R CA -1.928 54.237 56.100 0.108 0.000 0.901 612 R CB 1.580 31.971 30.300 0.151 0.000 1.160 612 R HN 0.299 nan 8.270 nan 0.000 0.457 613 P HA -0.059 nan 4.420 nan 0.000 0.266 613 P C -0.732 176.362 177.300 -0.344 0.000 1.195 613 P CA 0.239 62.730 63.100 -1.016 0.000 0.768 613 P CB 0.747 32.189 31.700 -0.430 0.000 0.838 614 E N 2.127 122.189 120.200 -0.229 0.000 2.675 614 E HA 0.438 4.763 4.350 -0.041 0.000 0.236 614 E C 0.697 177.299 176.600 0.004 0.000 1.059 614 E CA -0.398 55.969 56.400 -0.055 0.000 0.775 614 E CB -0.558 29.128 29.700 -0.024 0.000 1.356 614 E HN 0.664 nan 8.360 nan 0.000 0.403 615 G N 3.405 112.217 108.800 0.021 0.000 2.160 615 G HA2 -0.367 3.568 3.960 -0.041 0.000 0.251 615 G HA3 -0.367 3.568 3.960 -0.041 0.000 0.251 615 G C 0.516 175.424 174.900 0.013 0.000 1.008 615 G CA 0.435 45.549 45.100 0.023 0.000 0.724 615 G HN 0.541 nan 8.290 nan 0.000 0.514 616 F N 0.123 119.967 119.950 -0.177 0.000 2.187 616 F HA 0.462 4.964 4.527 -0.040 0.000 0.295 616 F C 1.364 176.908 175.800 -0.427 0.000 1.091 616 F CA 0.644 58.442 58.000 -0.336 0.000 1.308 616 F CB 0.017 38.706 39.000 -0.518 0.000 1.030 616 F HN 0.122 nan 8.300 nan 0.000 0.487 617 F N 0.425 120.381 119.950 0.009 0.000 2.411 617 F HA 0.218 4.720 4.527 -0.041 0.000 0.324 617 F C 1.398 177.153 175.800 -0.075 0.000 1.086 617 F CA -0.737 57.219 58.000 -0.073 0.000 1.028 617 F CB 0.319 39.295 39.000 -0.040 0.000 1.284 617 F HN -0.258 nan 8.300 nan 0.000 0.501 618 D N -0.016 120.470 120.400 0.143 0.000 2.349 618 D HA 0.072 4.688 4.640 -0.041 0.000 0.215 618 D C 0.311 176.642 176.300 0.052 0.000 1.016 618 D CA 0.573 54.606 54.000 0.056 0.000 0.870 618 D CB 0.284 41.100 40.800 0.027 0.000 0.917 618 D HN 0.506 nan 8.370 nan 0.000 0.524 619 R N -2.010 118.534 120.500 0.073 0.000 2.832 619 R HA 0.224 4.540 4.340 -0.041 0.000 0.283 619 R C -0.743 175.557 176.300 -0.001 0.000 0.998 619 R CA -0.756 55.360 56.100 0.026 0.000 0.843 619 R CB 0.383 30.686 30.300 0.005 0.000 1.332 619 R HN -0.164 nan 8.270 nan 0.000 0.490 620 S N 1.006 116.684 115.700 -0.037 0.000 2.563 620 S HA 0.099 4.545 4.470 -0.041 0.000 0.294 620 S C -1.275 173.223 174.600 -0.171 0.000 1.279 620 S CA -0.790 57.356 58.200 -0.090 0.000 1.069 620 S CB 0.464 63.633 63.200 -0.052 0.000 0.828 620 S HN 0.520 nan 8.310 nan 0.000 0.497 621 P HA 0.101 nan 4.420 nan 0.000 0.249 621 P C 0.547 177.735 177.300 -0.187 0.000 1.229 621 P CA 0.243 63.059 63.100 -0.473 0.000 0.788 621 P CB -0.190 30.727 31.700 -1.305 0.000 1.072 622 V N -4.020 115.833 119.914 -0.102 0.000 3.043 622 V HA 0.240 4.335 4.120 -0.041 0.000 0.357 622 V C 1.541 177.655 176.094 0.033 0.000 1.372 622 V CA -0.096 62.197 62.300 -0.013 0.000 1.214 622 V CB -0.829 31.010 31.823 0.027 0.000 1.224 622 V HN -0.128 nan 8.190 nan 0.000 0.507 623 L N 1.207 122.442 121.223 0.020 0.000 2.376 623 L HA 0.036 4.352 4.340 -0.041 0.000 0.219 623 L C 2.062 178.972 176.870 0.066 0.000 1.133 623 L CA 1.394 56.270 54.840 0.060 0.000 0.816 623 L CB -0.276 41.796 42.059 0.022 0.000 0.933 623 L HN 0.561 nan 8.230 nan 0.000 0.449 624 D N -0.454 119.964 120.400 0.030 0.000 2.328 624 D HA -0.033 4.582 4.640 -0.041 0.000 0.221 624 D C 0.714 177.019 176.300 0.009 0.000 1.072 624 D CA -0.064 53.947 54.000 0.019 0.000 0.850 624 D CB -0.200 40.600 40.800 -0.000 0.000 0.922 624 D HN 0.033 nan 8.370 nan 0.000 0.516 625 V N 2.419 122.342 119.914 0.016 0.000 2.572 625 V HA 0.230 4.326 4.120 -0.041 0.000 0.291 625 V C -2.066 174.022 176.094 -0.010 0.000 1.039 625 V CA -1.300 60.997 62.300 -0.004 0.000 1.055 625 V CB 0.938 32.763 31.823 0.003 0.000 0.969 625 V HN 0.047 nan 8.190 nan 0.000 0.482 626 P HA 0.281 nan 4.420 nan 0.000 0.277 626 P C 0.411 177.675 177.300 -0.060 0.000 1.271 626 P CA 0.005 63.089 63.100 -0.028 0.000 0.795 626 P CB 1.450 33.139 31.700 -0.019 0.000 1.101 627 A N 0.997 123.776 122.820 -0.068 0.000 1.858 627 A HA -0.131 4.164 4.320 -0.041 0.000 0.216 627 A C 0.813 178.359 177.584 -0.063 0.000 1.190 627 A CA 1.688 53.669 52.037 -0.094 0.000 0.617 627 A CB -1.727 17.229 19.000 -0.074 0.000 0.827 627 A HN 0.833 nan 8.150 nan 0.000 0.443 628 N N 0.000 118.678 118.700 -0.036 0.000 1.763 628 N HA 0.000 4.716 4.740 -0.041 0.000 0.220 628 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 628 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667