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 2e2v_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 0.000 177.579 177.584 -0.009 0.000 1.274 9 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 9 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 10 S N 1.644 117.349 115.700 0.007 0.000 2.537 10 S HA 0.338 4.790 4.470 -0.030 0.000 0.286 10 S C -1.479 173.100 174.600 -0.036 0.000 1.299 10 S CA -0.302 57.912 58.200 0.024 0.000 1.067 10 S CB 0.772 64.027 63.200 0.090 0.000 0.864 10 S HN 0.181 nan 8.310 nan 0.000 0.494 11 P HA 0.076 nan 4.420 nan 0.000 0.234 11 P C -0.061 176.893 177.300 -0.576 0.000 1.167 11 P CA 0.791 63.669 63.100 -0.370 0.000 0.763 11 P CB 0.030 31.431 31.700 -0.499 0.000 0.835 12 F N -0.695 119.189 119.950 -0.110 0.000 2.653 12 F HA 0.187 4.696 4.527 -0.031 0.000 0.304 12 F C 1.384 177.124 175.800 -0.100 0.000 1.092 12 F CA -0.684 57.207 58.000 -0.181 0.000 1.279 12 F CB -0.236 38.648 39.000 -0.194 0.000 1.044 12 F HN -0.183 nan 8.300 nan 0.000 0.564 13 R N 0.759 121.295 120.500 0.061 0.000 2.784 13 R HA 0.267 4.589 4.340 -0.030 0.000 0.266 13 R C -0.124 176.204 176.300 0.047 0.000 1.044 13 R CA -0.445 55.695 56.100 0.067 0.000 1.151 13 R CB 0.421 30.748 30.300 0.047 0.000 1.037 13 R HN 0.137 nan 8.270 nan 0.000 0.478 14 L N 1.354 122.616 121.223 0.065 0.000 2.473 14 L HA 0.152 4.473 4.340 -0.030 0.000 0.268 14 L C 0.743 177.655 176.870 0.071 0.000 1.215 14 L CA -0.243 54.638 54.840 0.068 0.000 0.823 14 L CB 0.430 42.529 42.059 0.066 0.000 1.099 14 L HN 0.844 nan 8.230 nan 0.000 0.483 15 A N 1.906 124.782 122.820 0.095 0.000 2.477 15 A HA 0.384 4.685 4.320 -0.030 0.000 0.246 15 A C 0.299 177.954 177.584 0.118 0.000 1.078 15 A CA -0.295 51.843 52.037 0.169 0.000 0.770 15 A CB 0.115 19.279 19.000 0.273 0.000 1.011 15 A HN 0.738 nan 8.150 nan 0.000 0.494 16 S N 1.613 117.375 115.700 0.104 0.000 2.654 16 S HA 0.584 5.036 4.470 -0.030 0.000 0.283 16 S C 1.193 175.806 174.600 0.021 0.000 1.180 16 S CA -0.204 58.026 58.200 0.049 0.000 1.021 16 S CB 1.531 64.752 63.200 0.035 0.000 1.018 16 S HN 1.530 nan 8.310 nan 0.000 0.532 17 A N 1.849 124.671 122.820 0.003 0.000 1.978 17 A HA 0.094 4.396 4.320 -0.030 0.000 0.220 17 A C 2.119 179.680 177.584 -0.038 0.000 1.170 17 A CA 1.802 53.829 52.037 -0.016 0.000 0.636 17 A CB -1.746 17.245 19.000 -0.014 0.000 0.810 17 A HN 1.153 nan 8.150 nan 0.000 0.448 18 G N -0.506 108.275 108.800 -0.032 0.000 2.418 18 G HA2 -0.204 3.738 3.960 -0.030 0.000 0.217 18 G HA3 -0.204 3.738 3.960 -0.030 0.000 0.217 18 G C 1.413 176.260 174.900 -0.088 0.000 1.158 18 G CA 0.963 46.035 45.100 -0.047 0.000 0.771 18 G HN 0.670 nan 8.290 nan 0.000 0.545 19 E N 0.001 120.142 120.200 -0.098 0.000 2.077 19 E HA -0.085 4.247 4.350 -0.030 0.000 0.193 19 E C 2.522 178.875 176.600 -0.412 0.000 0.989 19 E CA 0.546 56.813 56.400 -0.221 0.000 0.800 19 E CB -0.062 29.570 29.700 -0.114 0.000 0.746 19 E HN 0.310 nan 8.360 nan 0.000 0.452 20 I N 1.126 121.521 120.570 -0.291 0.000 2.179 20 I HA -0.222 3.929 4.170 -0.030 0.000 0.242 20 I C 2.310 178.304 176.117 -0.206 0.000 1.088 20 I CA 1.200 62.334 61.300 -0.277 0.000 1.357 20 I CB -1.264 36.661 38.000 -0.125 0.000 1.051 20 I HN -0.012 nan 8.210 nan 0.000 0.409 21 S N 0.560 116.177 115.700 -0.138 0.000 2.370 21 S HA -0.170 4.282 4.470 -0.030 0.000 0.226 21 S C 1.847 176.382 174.600 -0.108 0.000 1.033 21 S CA 1.144 59.287 58.200 -0.095 0.000 1.011 21 S CB -0.136 63.025 63.200 -0.065 0.000 0.852 21 S HN 0.433 nan 8.310 nan 0.000 0.457 22 E N 0.963 121.079 120.200 -0.141 0.000 2.051 22 E HA -0.076 4.255 4.350 -0.030 0.000 0.192 22 E C 2.359 178.872 176.600 -0.146 0.000 0.991 22 E CA 0.785 57.107 56.400 -0.130 0.000 0.799 22 E CB -0.791 28.827 29.700 -0.137 0.000 0.748 22 E HN 0.336 nan 8.360 nan 0.000 0.449 23 V N 1.805 121.577 119.914 -0.237 0.000 2.282 23 V HA -0.326 3.776 4.120 -0.030 0.000 0.249 23 V C 2.723 178.751 176.094 -0.111 0.000 1.057 23 V CA 2.340 64.514 62.300 -0.210 0.000 1.032 23 V CB -0.672 30.955 31.823 -0.328 0.000 0.645 23 V HN 0.345 nan 8.190 nan 0.000 0.447 24 Q N 0.031 119.770 119.800 -0.102 0.000 2.112 24 Q HA -0.213 4.108 4.340 -0.030 0.000 0.206 24 Q C 2.244 178.226 176.000 -0.030 0.000 0.987 24 Q CA 2.285 58.059 55.803 -0.048 0.000 0.858 24 Q CB -0.531 28.184 28.738 -0.038 0.000 0.905 24 Q HN 0.667 nan 8.270 nan 0.000 0.420 25 G N 1.300 110.075 108.800 -0.042 0.000 2.421 25 G HA2 -0.212 3.730 3.960 -0.030 0.000 0.216 25 G HA3 -0.212 3.730 3.960 -0.030 0.000 0.216 25 G C 1.436 176.323 174.900 -0.021 0.000 1.171 25 G CA 0.877 45.960 45.100 -0.028 0.000 0.775 25 G HN 0.321 nan 8.290 nan 0.000 0.543 26 I N 1.161 121.714 120.570 -0.028 0.000 2.091 26 I HA -0.164 3.987 4.170 -0.030 0.000 0.239 26 I C 2.919 179.034 176.117 -0.002 0.000 1.061 26 I CA 1.025 62.315 61.300 -0.016 0.000 1.317 26 I CB -1.415 36.573 38.000 -0.020 0.000 1.031 26 I HN 0.162 nan 8.210 nan 0.000 0.401 27 L N 0.676 121.899 121.223 0.000 0.000 1.944 27 L HA -0.274 4.048 4.340 -0.030 0.000 0.218 27 L C 2.947 179.827 176.870 0.018 0.000 1.075 27 L CA 2.247 57.097 54.840 0.017 0.000 0.767 27 L CB -0.977 41.096 42.059 0.023 0.000 0.890 27 L HN 0.316 nan 8.230 nan 0.000 0.434 28 R N -0.213 120.296 120.500 0.015 0.000 2.112 28 R HA -0.192 4.129 4.340 -0.030 0.000 0.242 28 R C 2.058 178.363 176.300 0.008 0.000 1.137 28 R CA 2.171 58.279 56.100 0.014 0.000 0.944 28 R CB -1.612 28.694 30.300 0.010 0.000 0.857 28 R HN 0.223 nan 8.270 nan 0.000 0.435 29 T N 1.070 115.626 114.554 0.003 0.000 2.720 29 T HA -0.094 4.237 4.350 -0.030 0.000 0.268 29 T C 1.770 176.473 174.700 0.005 0.000 1.037 29 T CA 1.686 63.786 62.100 0.001 0.000 1.144 29 T CB -0.301 68.566 68.868 -0.003 0.000 0.864 29 T HN 0.558 nan 8.240 nan 0.000 0.444 30 A N 0.524 123.349 122.820 0.008 0.000 2.265 30 A HA 0.501 4.802 4.320 -0.030 0.000 0.213 30 A C 1.660 179.252 177.584 0.013 0.000 1.255 30 A CA 0.541 52.585 52.037 0.011 0.000 0.862 30 A CB -1.120 17.890 19.000 0.016 0.000 0.852 30 A HN 0.726 nan 8.150 nan 0.000 0.484 31 G N -0.914 107.893 108.800 0.012 0.000 2.273 31 G HA2 -0.246 3.696 3.960 -0.030 0.000 0.280 31 G HA3 -0.246 3.696 3.960 -0.030 0.000 0.280 31 G C 0.447 175.357 174.900 0.017 0.000 1.047 31 G CA 0.635 45.742 45.100 0.012 0.000 0.869 31 G HN 0.588 nan 8.290 nan 0.000 0.502 32 L N -1.819 119.418 121.223 0.024 0.000 2.731 32 L HA 0.371 4.693 4.340 -0.030 0.000 0.240 32 L C 1.201 178.096 176.870 0.041 0.000 1.120 32 L CA -0.036 54.824 54.840 0.033 0.000 0.913 32 L CB 0.400 42.483 42.059 0.040 0.000 1.213 32 L HN 0.196 nan 8.230 nan 0.000 0.515 33 L N 0.652 121.899 121.223 0.039 0.000 3.141 33 L HA 0.412 4.734 4.340 -0.030 0.000 0.263 33 L C 0.983 177.884 176.870 0.051 0.000 1.312 33 L CA -0.152 54.721 54.840 0.055 0.000 1.012 33 L CB 0.287 42.380 42.059 0.057 0.000 1.408 33 L HN -0.042 nan 8.230 nan 0.000 0.559 34 G N 0.019 108.841 108.800 0.038 0.000 2.664 34 G HA2 0.215 4.156 3.960 -0.030 0.000 0.242 34 G HA3 0.215 4.156 3.960 -0.030 0.000 0.242 34 G C -1.559 173.367 174.900 0.044 0.000 1.225 34 G CA -0.713 44.404 45.100 0.028 0.000 0.849 34 G HN 0.242 nan 8.290 nan 0.000 0.581 35 P HA -0.097 nan 4.420 nan 0.000 0.222 35 P C 1.435 178.775 177.300 0.067 0.000 1.142 35 P CA 1.231 64.350 63.100 0.033 0.000 0.788 35 P CB 0.287 31.987 31.700 -0.000 0.000 0.767 36 E N -1.452 118.776 120.200 0.046 0.000 2.474 36 E HA 0.034 4.366 4.350 -0.030 0.000 0.195 36 E C 0.175 176.790 176.600 0.025 0.000 1.039 36 E CA 0.415 56.834 56.400 0.031 0.000 0.881 36 E CB -0.039 29.659 29.700 -0.004 0.000 0.970 36 E HN 0.101 nan 8.360 nan 0.000 0.486 37 K N 1.409 121.850 120.400 0.068 0.000 2.118 37 K HA 0.463 4.765 4.320 -0.030 0.000 0.254 37 K C 0.061 176.743 176.600 0.137 0.000 0.961 37 K CA -0.724 55.606 56.287 0.073 0.000 0.876 37 K CB 1.494 34.038 32.500 0.074 0.000 1.077 37 K HN -0.055 nan 8.250 nan 0.000 0.440 38 R N 1.599 122.177 120.500 0.130 0.000 2.548 38 R HA 0.413 4.735 4.340 -0.030 0.000 0.280 38 R C -0.270 176.096 176.300 0.110 0.000 1.061 38 R CA -0.621 55.538 56.100 0.099 0.000 0.915 38 R CB 1.155 31.532 30.300 0.129 0.000 1.210 38 R HN 0.604 nan 8.270 nan 0.000 0.442 39 I N 2.449 123.042 120.570 0.039 0.000 2.436 39 I HA 0.062 4.213 4.170 -0.030 0.000 0.289 39 I C 1.363 177.521 176.117 0.067 0.000 1.083 39 I CA 0.126 61.463 61.300 0.061 0.000 1.372 39 I CB 1.378 39.381 38.000 0.004 0.000 1.408 39 I HN 0.721 nan 8.210 nan 0.000 0.516 40 A N 6.824 129.744 122.820 0.166 0.000 2.030 40 A HA 0.024 4.326 4.320 -0.030 0.000 0.215 40 A C 0.332 178.057 177.584 0.234 0.000 1.164 40 A CA 0.831 52.982 52.037 0.189 0.000 0.697 40 A CB 0.220 19.373 19.000 0.255 0.000 0.827 40 A HN 0.697 nan 8.150 nan 0.000 0.457 41 Y N -2.077 118.253 120.300 0.050 0.000 2.565 41 Y HA 0.569 5.100 4.550 -0.031 0.000 0.330 41 Y C -1.810 173.982 175.900 -0.179 0.000 1.150 41 Y CA -1.210 56.816 58.100 -0.123 0.000 1.055 41 Y CB 1.241 39.505 38.460 -0.327 0.000 1.337 41 Y HN 0.193 nan 8.280 nan 0.000 0.457 42 L N 4.841 125.331 121.223 -1.222 0.000 2.588 42 L HA 0.910 5.232 4.340 -0.030 0.000 0.263 42 L C -1.356 174.963 176.870 -0.918 0.000 0.935 42 L CA -0.109 54.238 54.840 -0.823 0.000 0.891 42 L CB 1.986 43.867 42.059 -0.296 0.000 1.318 42 L HN 0.978 nan 8.230 nan 0.000 0.409 43 G N 2.568 111.014 108.800 -0.590 0.000 2.673 43 G HA2 0.482 4.424 3.960 -0.030 0.000 0.292 43 G HA3 0.482 4.424 3.960 -0.030 0.000 0.292 43 G C -2.052 172.666 174.900 -0.304 0.000 1.450 43 G CA -0.526 44.381 45.100 -0.322 0.000 0.837 43 G HN 0.501 nan 8.290 nan 0.000 0.505 44 V N 1.396 120.974 119.914 -0.560 0.000 2.546 44 V HA 0.572 4.673 4.120 -0.030 0.000 0.284 44 V C 0.256 176.087 176.094 -0.439 0.000 1.050 44 V CA -0.597 61.106 62.300 -0.996 0.000 0.981 44 V CB 0.717 31.881 31.823 -1.099 0.000 0.990 44 V HN 0.575 nan 8.190 nan 0.000 0.474 45 L N 5.769 126.776 121.223 -0.360 0.000 2.395 45 L HA 0.417 4.739 4.340 -0.030 0.000 0.269 45 L C 0.205 176.964 176.870 -0.186 0.000 1.133 45 L CA -0.610 54.124 54.840 -0.177 0.000 0.812 45 L CB 0.688 42.682 42.059 -0.107 0.000 1.125 45 L HN 0.600 nan 8.230 nan 0.000 0.452 46 D N 2.214 122.550 120.400 -0.106 0.000 2.357 46 D HA 0.231 4.852 4.640 -0.030 0.000 0.242 46 D C -1.965 174.244 176.300 -0.151 0.000 1.153 46 D CA -0.888 53.042 54.000 -0.117 0.000 0.918 46 D CB 0.328 41.163 40.800 0.059 0.000 1.181 46 D HN 0.264 nan 8.370 nan 0.000 0.435 47 P HA 0.172 nan 4.420 nan 0.000 0.269 47 P C -0.877 176.373 177.300 -0.084 0.000 1.217 47 P CA -0.163 62.799 63.100 -0.229 0.000 0.783 47 P CB 0.480 31.944 31.700 -0.394 0.000 0.898 48 A N 2.250 125.032 122.820 -0.062 0.000 2.302 48 A HA 0.346 4.648 4.320 -0.030 0.000 0.285 48 A C 0.275 177.841 177.584 -0.030 0.000 1.105 48 A CA -0.525 51.498 52.037 -0.023 0.000 0.816 48 A CB 0.273 19.261 19.000 -0.020 0.000 1.067 48 A HN 0.374 nan 8.150 nan 0.000 0.489 49 R N 0.325 120.796 120.500 -0.048 0.000 2.585 49 R HA 0.362 4.684 4.340 -0.030 0.000 0.275 49 R C 0.573 176.840 176.300 -0.054 0.000 1.018 49 R CA 1.422 57.456 56.100 -0.110 0.000 1.072 49 R CB -0.464 29.715 30.300 -0.203 0.000 0.953 49 R HN 1.762 nan 8.270 nan 0.000 0.419 50 G N 0.322 109.106 108.800 -0.027 0.000 3.014 50 G HA2 0.055 3.996 3.960 -0.030 0.000 0.683 50 G HA3 0.055 3.996 3.960 -0.030 0.000 0.683 50 G C 0.177 175.087 174.900 0.016 0.000 1.271 50 G CA -0.263 44.837 45.100 -0.001 0.000 0.843 50 G HN 0.586 nan 8.290 nan 0.000 0.612 51 A N 1.068 123.905 122.820 0.029 0.000 2.030 51 A HA 0.482 4.784 4.320 -0.030 0.000 0.215 51 A C 2.684 180.276 177.584 0.014 0.000 1.164 51 A CA 1.911 53.966 52.037 0.030 0.000 0.697 51 A CB -0.454 18.570 19.000 0.040 0.000 0.827 51 A HN 2.292 nan 8.150 nan 0.000 0.457 52 G N 0.758 109.565 108.800 0.010 0.000 2.516 52 G HA2 -0.157 3.784 3.960 -0.030 0.000 0.221 52 G HA3 -0.157 3.784 3.960 -0.030 0.000 0.221 52 G C 1.195 176.094 174.900 -0.002 0.000 1.107 52 G CA 1.115 46.218 45.100 0.005 0.000 0.747 52 G HN 0.865 nan 8.290 nan 0.000 0.567 53 S N 1.482 117.179 115.700 -0.006 0.000 3.870 53 S HA 0.210 4.662 4.470 -0.030 0.000 0.198 53 S C 0.098 174.687 174.600 -0.019 0.000 1.336 53 S CA -0.345 57.846 58.200 -0.015 0.000 1.049 53 S CB -0.066 63.119 63.200 -0.024 0.000 1.412 53 S HN 0.278 nan 8.310 nan 0.000 0.448 54 E N 1.887 122.080 120.200 -0.012 0.000 2.415 54 E HA 0.366 4.698 4.350 -0.030 0.000 0.262 54 E C 0.605 177.194 176.600 -0.019 0.000 1.038 54 E CA 0.652 57.044 56.400 -0.013 0.000 0.921 54 E CB 0.373 30.068 29.700 -0.007 0.000 0.950 54 E HN 0.994 nan 8.360 nan 0.000 0.438 55 A N 2.144 124.951 122.820 -0.022 0.000 1.554 55 A HA -0.142 4.160 4.320 -0.030 0.000 0.210 55 A C 0.457 178.020 177.584 -0.035 0.000 1.250 55 A CA 0.751 52.773 52.037 -0.024 0.000 0.617 55 A CB -0.934 18.056 19.000 -0.016 0.000 1.224 55 A HN 0.560 nan 8.150 nan 0.000 0.190 56 E N 1.961 122.131 120.200 -0.050 0.000 2.404 56 E HA 0.364 4.696 4.350 -0.030 0.000 0.261 56 E C -0.250 176.320 176.600 -0.051 0.000 1.074 56 E CA 0.417 56.774 56.400 -0.072 0.000 0.917 56 E CB 0.895 30.529 29.700 -0.111 0.000 0.965 56 E HN 0.678 nan 8.360 nan 0.000 0.433 57 D N 2.203 122.570 120.400 -0.055 0.000 2.404 57 D HA 0.137 4.759 4.640 -0.030 0.000 0.267 57 D C -0.728 175.558 176.300 -0.024 0.000 1.194 57 D CA -0.603 53.381 54.000 -0.027 0.000 0.910 57 D CB 0.263 41.051 40.800 -0.019 0.000 1.090 57 D HN 0.179 nan 8.370 nan 0.000 0.511 58 R N 3.166 123.666 120.500 -0.000 0.000 2.507 58 R HA 0.162 4.484 4.340 -0.030 0.000 0.341 58 R C 0.175 176.550 176.300 0.125 0.000 0.960 58 R CA 0.257 56.378 56.100 0.036 0.000 1.032 58 R CB -0.059 30.316 30.300 0.125 0.000 0.933 58 R HN 0.436 nan 8.270 nan 0.000 0.418 59 R N 2.378 122.901 120.500 0.038 0.000 2.664 59 R HA 0.498 4.820 4.340 -0.030 0.000 0.286 59 R C -0.670 175.661 176.300 0.052 0.000 0.967 59 R CA -0.672 55.495 56.100 0.112 0.000 0.933 59 R CB 1.386 31.706 30.300 0.032 0.000 1.146 59 R HN 0.226 nan 8.270 nan 0.000 0.468 60 F N 0.724 120.660 119.950 -0.024 0.000 2.540 60 F HA 0.454 4.963 4.527 -0.031 0.000 0.317 60 F C 0.333 176.126 175.800 -0.012 0.000 1.104 60 F CA -0.840 57.139 58.000 -0.035 0.000 0.913 60 F CB 1.801 40.766 39.000 -0.058 0.000 1.170 60 F HN 0.193 nan 8.300 nan 0.000 0.450 61 R N 2.345 122.919 120.500 0.123 0.000 2.407 61 R HA 0.847 5.169 4.340 -0.030 0.000 0.303 61 R C -1.813 174.532 176.300 0.076 0.000 0.981 61 R CA -0.452 55.725 56.100 0.129 0.000 0.905 61 R CB 1.319 31.703 30.300 0.141 0.000 1.099 61 R HN 0.562 nan 8.270 nan 0.000 0.459 62 V N 4.526 124.518 119.914 0.129 0.000 2.841 62 V HA 0.498 4.600 4.120 -0.030 0.000 0.310 62 V C -1.178 175.146 176.094 0.382 0.000 1.090 62 V CA -0.859 61.506 62.300 0.109 0.000 0.930 62 V CB 2.009 33.891 31.823 0.099 0.000 1.014 62 V HN 0.563 nan 8.190 nan 0.000 0.425 63 F N 4.194 124.317 119.950 0.289 0.000 2.375 63 F HA 0.598 5.107 4.527 -0.031 0.000 0.361 63 F C -0.062 175.853 175.800 0.193 0.000 1.117 63 F CA -1.738 56.429 58.000 0.278 0.000 1.037 63 F CB 1.330 40.545 39.000 0.359 0.000 1.192 63 F HN 0.146 nan 8.300 nan 0.000 0.452 64 I N 3.651 124.419 120.570 0.331 0.000 2.336 64 I HA 0.203 4.355 4.170 -0.030 0.000 0.292 64 I C 0.235 176.474 176.117 0.203 0.000 0.991 64 I CA -0.458 60.972 61.300 0.218 0.000 1.227 64 I CB 0.842 38.929 38.000 0.146 0.000 1.366 64 I HN 0.569 nan 8.210 nan 0.000 0.466 65 H N 5.642 124.767 119.070 0.092 0.000 2.523 65 H HA 0.494 5.031 4.556 -0.030 0.000 0.345 65 H C -1.072 174.284 175.328 0.047 0.000 1.261 65 H CA -0.327 55.755 56.048 0.058 0.000 1.343 65 H CB 1.452 31.250 29.762 0.059 0.000 1.650 65 H HN 0.577 nan 8.280 nan 0.000 0.591 66 D N 2.672 122.556 120.400 -0.861 0.000 2.602 66 D HA 0.073 4.694 4.640 -0.030 0.000 0.245 66 D C 1.082 177.017 176.300 -0.608 0.000 1.325 66 D CA -0.353 53.343 54.000 -0.508 0.000 0.952 66 D CB 1.525 42.172 40.800 -0.255 0.000 1.317 66 D HN 0.452 nan 8.370 nan 0.000 0.577 67 V N 2.269 122.021 119.914 -0.271 0.000 2.594 67 V HA -0.127 3.975 4.120 -0.030 0.000 0.253 67 V C 2.045 178.103 176.094 -0.060 0.000 1.069 67 V CA 2.071 64.323 62.300 -0.080 0.000 1.082 67 V CB -0.552 31.294 31.823 0.038 0.000 0.680 67 V HN 0.453 nan 8.190 nan 0.000 0.469 68 S N 0.916 116.571 115.700 -0.075 0.000 2.338 68 S HA 0.205 4.657 4.470 -0.030 0.000 0.218 68 S C 1.722 176.291 174.600 -0.051 0.000 1.032 68 S CA 2.362 60.534 58.200 -0.046 0.000 0.999 68 S CB -0.220 62.956 63.200 -0.041 0.000 0.905 68 S HN 1.539 nan 8.310 nan 0.000 0.439 69 G N -0.574 108.177 108.800 -0.082 0.000 3.732 69 G HA2 0.259 4.200 3.960 -0.030 0.000 0.220 69 G HA3 0.259 4.200 3.960 -0.030 0.000 0.220 69 G C 0.081 174.940 174.900 -0.067 0.000 0.903 69 G CA 0.097 45.158 45.100 -0.064 0.000 0.896 69 G HN 0.882 nan 8.290 nan 0.000 0.685 70 A N 1.013 123.787 122.820 -0.077 0.000 2.498 70 A HA 0.609 4.910 4.320 -0.030 0.000 0.239 70 A C 0.878 178.420 177.584 -0.070 0.000 1.068 70 A CA 0.103 52.103 52.037 -0.062 0.000 0.766 70 A CB 0.122 19.090 19.000 -0.054 0.000 1.003 70 A HN 0.457 nan 8.150 nan 0.000 0.497 71 R N 2.190 122.657 120.500 -0.054 0.000 2.638 71 R HA 0.073 4.395 4.340 -0.030 0.000 0.268 71 R C -1.986 174.282 176.300 -0.054 0.000 1.006 71 R CA -0.516 55.549 56.100 -0.057 0.000 1.088 71 R CB 0.034 30.300 30.300 -0.057 0.000 0.950 71 R HN 0.611 nan 8.270 nan 0.000 0.419 72 P HA 0.007 nan 4.420 nan 0.000 0.274 72 P C -1.169 176.110 177.300 -0.035 0.000 1.256 72 P CA -0.089 62.996 63.100 -0.025 0.000 0.795 72 P CB 0.790 32.475 31.700 -0.025 0.000 1.038 73 Q N -0.611 119.202 119.800 0.021 0.000 2.315 73 Q HA 0.307 4.629 4.340 -0.030 0.000 0.273 73 Q C -0.854 175.228 176.000 0.136 0.000 1.053 73 Q CA -0.602 55.227 55.803 0.043 0.000 0.817 73 Q CB 2.566 31.335 28.738 0.053 0.000 1.326 73 Q HN 0.444 nan 8.270 nan 0.000 0.423 74 E N 2.259 122.549 120.200 0.149 0.000 2.146 74 E HA 0.416 4.748 4.350 -0.030 0.000 0.282 74 E C -1.330 175.422 176.600 0.253 0.000 0.989 74 E CA -0.428 56.165 56.400 0.321 0.000 0.799 74 E CB 1.054 30.954 29.700 0.333 0.000 1.088 74 E HN 0.297 nan 8.360 nan 0.000 0.397 75 V N 3.748 123.826 119.914 0.274 0.000 2.656 75 V HA 0.341 4.443 4.120 -0.030 0.000 0.307 75 V C -0.225 175.974 176.094 0.174 0.000 1.051 75 V CA -0.781 61.628 62.300 0.182 0.000 0.893 75 V CB 2.207 34.113 31.823 0.138 0.000 0.999 75 V HN 0.690 nan 8.190 nan 0.000 0.426 76 T N 4.184 118.820 114.554 0.136 0.000 2.779 76 T HA 0.661 4.993 4.350 -0.030 0.000 0.280 76 T C -0.377 174.382 174.700 0.099 0.000 0.987 76 T CA -0.407 61.767 62.100 0.122 0.000 0.966 76 T CB 1.503 70.433 68.868 0.105 0.000 0.933 76 T HN 0.779 nan 8.240 nan 0.000 0.442 77 V N 0.683 120.662 119.914 0.109 0.000 2.960 77 V HA 0.916 5.017 4.120 -0.030 0.000 0.315 77 V C -0.225 175.930 176.094 0.101 0.000 1.087 77 V CA -0.920 61.431 62.300 0.083 0.000 0.982 77 V CB 2.129 33.984 31.823 0.053 0.000 1.039 77 V HN 0.748 nan 8.190 nan 0.000 0.437 78 S N 1.608 117.348 115.700 0.067 0.000 2.433 78 S HA 0.543 4.995 4.470 -0.030 0.000 0.310 78 S C 0.380 175.009 174.600 0.048 0.000 1.097 78 S CA -0.305 57.937 58.200 0.069 0.000 1.103 78 S CB 1.399 64.623 63.200 0.041 0.000 0.992 78 S HN 0.806 nan 8.310 nan 0.000 0.469 79 V N 4.896 124.854 119.914 0.074 0.000 2.725 79 V HA -0.019 4.082 4.120 -0.030 0.000 0.247 79 V C 2.393 178.498 176.094 0.018 0.000 1.058 79 V CA 1.588 63.898 62.300 0.016 0.000 1.080 79 V CB -0.748 31.081 31.823 0.009 0.000 0.713 79 V HN 0.885 nan 8.190 nan 0.000 0.465 80 T N 0.980 115.555 114.554 0.036 0.000 2.881 80 T HA -0.093 4.239 4.350 -0.030 0.000 0.270 80 T C 1.376 176.081 174.700 0.007 0.000 1.068 80 T CA 1.413 63.524 62.100 0.018 0.000 1.131 80 T CB -0.183 68.693 68.868 0.014 0.000 0.871 80 T HN 0.484 nan 8.240 nan 0.000 0.479 81 N N -0.450 118.255 118.700 0.009 0.000 2.143 81 N HA 0.193 4.915 4.740 -0.030 0.000 0.222 81 N C 1.000 176.510 175.510 0.001 0.000 1.264 81 N CA 0.431 53.483 53.050 0.004 0.000 0.897 81 N CB 1.033 39.523 38.487 0.006 0.000 1.092 81 N HN 0.392 nan 8.380 nan 0.000 0.516 82 G N 2.221 111.019 108.800 -0.002 0.000 2.338 82 G HA2 -0.281 3.660 3.960 -0.030 0.000 0.296 82 G HA3 -0.281 3.660 3.960 -0.030 0.000 0.296 82 G C 0.242 175.140 174.900 -0.003 0.000 1.040 82 G CA 1.251 46.345 45.100 -0.010 0.000 1.004 82 G HN 0.509 nan 8.290 nan 0.000 0.509 83 T N -4.211 110.346 114.554 0.006 0.000 2.831 83 T HA 0.716 5.047 4.350 -0.030 0.000 0.287 83 T C -0.426 174.286 174.700 0.020 0.000 1.070 83 T CA -0.523 61.584 62.100 0.011 0.000 1.010 83 T CB 2.648 71.523 68.868 0.012 0.000 1.264 83 T HN 0.765 nan 8.240 nan 0.000 0.532 84 V N 2.351 122.279 119.914 0.023 0.000 2.294 84 V HA 0.262 4.363 4.120 -0.030 0.000 0.272 84 V C 0.958 177.074 176.094 0.035 0.000 1.027 84 V CA -0.557 61.762 62.300 0.033 0.000 0.823 84 V CB 0.104 31.946 31.823 0.031 0.000 1.030 84 V HN 0.820 nan 8.190 nan 0.000 0.457 85 I N 3.296 123.892 120.570 0.042 0.000 2.179 85 I HA -0.102 4.050 4.170 -0.030 0.000 0.242 85 I C 1.204 177.346 176.117 0.042 0.000 1.088 85 I CA 1.495 62.819 61.300 0.040 0.000 1.357 85 I CB -0.152 37.875 38.000 0.044 0.000 1.051 85 I HN 0.810 nan 8.210 nan 0.000 0.409 86 S N -1.153 114.580 115.700 0.054 0.000 2.565 86 S HA 0.858 5.310 4.470 -0.030 0.000 0.269 86 S C -0.984 173.657 174.600 0.069 0.000 1.153 86 S CA -0.395 57.839 58.200 0.057 0.000 0.835 86 S CB 1.789 65.025 63.200 0.060 0.000 1.122 86 S HN 0.351 nan 8.310 nan 0.000 0.462 87 A N 1.190 124.047 122.820 0.062 0.000 2.466 87 A HA 0.708 5.010 4.320 -0.030 0.000 0.284 87 A C -1.348 176.268 177.584 0.054 0.000 1.049 87 A CA -0.638 51.439 52.037 0.066 0.000 0.760 87 A CB 1.244 20.276 19.000 0.053 0.000 1.274 87 A HN 1.299 nan 8.150 nan 0.000 0.412 88 V N 2.145 122.095 119.914 0.061 0.000 2.531 88 V HA 0.386 4.488 4.120 -0.030 0.000 0.301 88 V C 0.210 176.313 176.094 0.015 0.000 1.034 88 V CA -0.625 61.697 62.300 0.037 0.000 0.865 88 V CB 1.726 33.575 31.823 0.042 0.000 0.995 88 V HN 0.986 nan 8.190 nan 0.000 0.424 89 E N 3.651 123.848 120.200 -0.005 0.000 2.373 89 E HA 0.409 4.741 4.350 -0.030 0.000 0.267 89 E C -1.231 175.330 176.600 -0.064 0.000 1.032 89 E CA -0.311 56.071 56.400 -0.029 0.000 0.889 89 E CB 0.803 30.487 29.700 -0.027 0.000 0.984 89 E HN 0.534 nan 8.360 nan 0.000 0.425 90 L N 3.472 124.628 121.223 -0.111 0.000 2.317 90 L HA 0.274 4.595 4.340 -0.030 0.000 0.281 90 L C -0.187 176.580 176.870 -0.172 0.000 1.024 90 L CA -0.794 53.934 54.840 -0.186 0.000 0.810 90 L CB 1.499 43.346 42.059 -0.354 0.000 1.240 90 L HN 0.508 nan 8.230 nan 0.000 0.427 91 D N 1.286 121.588 120.400 -0.162 0.000 2.500 91 D HA 0.059 4.680 4.640 -0.030 0.000 0.219 91 D C 1.373 177.568 176.300 -0.175 0.000 1.137 91 D CA -0.250 53.668 54.000 -0.136 0.000 0.946 91 D CB 1.090 41.830 40.800 -0.100 0.000 1.022 91 D HN 0.687 nan 8.370 nan 0.000 0.518 92 T N 0.707 115.145 114.554 -0.193 0.000 2.721 92 T HA -0.257 4.075 4.350 -0.030 0.000 0.268 92 T C 1.890 176.482 174.700 -0.180 0.000 1.038 92 T CA 1.286 63.259 62.100 -0.212 0.000 1.145 92 T CB -0.241 68.524 68.868 -0.171 0.000 0.858 92 T HN 0.252 nan 8.240 nan 0.000 0.459 93 A N 1.482 124.215 122.820 -0.144 0.000 2.024 93 A HA 0.331 4.633 4.320 -0.030 0.000 0.220 93 A C 2.714 180.191 177.584 -0.177 0.000 1.164 93 A CA 1.903 53.856 52.037 -0.140 0.000 0.643 93 A CB -1.162 17.777 19.000 -0.102 0.000 0.806 93 A HN 0.834 nan 8.150 nan 0.000 0.451 94 A N -0.905 121.815 122.820 -0.167 0.000 1.871 94 A HA 0.100 4.402 4.320 -0.030 0.000 0.211 94 A C 2.201 179.662 177.584 -0.205 0.000 1.207 94 A CA 1.897 53.835 52.037 -0.165 0.000 0.620 94 A CB -0.759 18.177 19.000 -0.106 0.000 0.860 94 A HN 0.693 nan 8.150 nan 0.000 0.450 95 T N -3.565 110.896 114.554 -0.154 0.000 3.069 95 T HA 0.483 4.814 4.350 -0.030 0.000 0.252 95 T C 0.816 175.561 174.700 0.075 0.000 1.053 95 T CA 0.804 62.893 62.100 -0.017 0.000 0.964 95 T CB -0.007 68.865 68.868 0.007 0.000 1.005 95 T HN 1.902 nan 8.240 nan 0.000 0.532 96 G N 1.067 109.791 108.800 -0.127 0.000 2.629 96 G HA2 0.049 3.991 3.960 -0.030 0.000 0.686 96 G HA3 0.049 3.991 3.960 -0.030 0.000 0.686 96 G C -1.077 173.734 174.900 -0.148 0.000 1.232 96 G CA -1.066 44.009 45.100 -0.041 0.000 0.803 96 G HN 0.243 nan 8.290 nan 0.000 0.638 97 E N -0.247 119.900 120.200 -0.088 0.000 2.342 97 E HA 0.515 4.847 4.350 -0.030 0.000 0.257 97 E C 1.033 177.605 176.600 -0.047 0.000 1.150 97 E CA -0.496 55.841 56.400 -0.105 0.000 0.926 97 E CB 0.914 30.570 29.700 -0.073 0.000 1.074 97 E HN 0.503 nan 8.360 nan 0.000 0.449 98 L N 1.741 122.936 121.223 -0.047 0.000 2.453 98 L HA 0.230 4.552 4.340 -0.030 0.000 0.261 98 L C -1.963 174.935 176.870 0.046 0.000 1.179 98 L CA -1.851 53.027 54.840 0.063 0.000 0.813 98 L CB 0.026 42.130 42.059 0.075 0.000 1.110 98 L HN 0.147 nan 8.230 nan 0.000 0.466 99 P HA -0.034 nan 4.420 nan 0.000 0.267 99 P C -0.621 176.681 177.300 0.004 0.000 1.201 99 P CA -0.250 62.880 63.100 0.049 0.000 0.775 99 P CB 0.357 32.132 31.700 0.126 0.000 0.854 100 V N 3.625 123.508 119.914 -0.053 0.000 2.673 100 V HA -0.053 4.048 4.120 -0.030 0.000 0.303 100 V C 0.761 176.941 176.094 0.143 0.000 1.046 100 V CA 0.391 62.683 62.300 -0.015 0.000 1.126 100 V CB -0.370 31.383 31.823 -0.116 0.000 0.934 100 V HN 0.308 nan 8.190 nan 0.000 0.487 101 L N 3.557 124.856 121.223 0.126 0.000 2.334 101 L HA 0.329 4.651 4.340 -0.030 0.000 0.277 101 L C 1.553 178.617 176.870 0.323 0.000 1.075 101 L CA -0.119 54.812 54.840 0.151 0.000 0.804 101 L CB 0.920 43.006 42.059 0.045 0.000 1.174 101 L HN 0.742 nan 8.230 nan 0.000 0.438 102 E N 1.945 122.290 120.200 0.241 0.000 2.204 102 E HA -0.225 4.106 4.350 -0.030 0.000 0.195 102 E C 1.361 178.066 176.600 0.173 0.000 0.990 102 E CA 1.412 57.890 56.400 0.130 0.000 0.821 102 E CB 0.285 29.977 29.700 -0.013 0.000 0.750 102 E HN 0.785 nan 8.360 nan 0.000 0.477 103 E N -0.091 120.190 120.200 0.134 0.000 2.516 103 E HA -0.141 4.191 4.350 -0.030 0.000 0.199 103 E C 1.170 177.874 176.600 0.173 0.000 1.069 103 E CA 0.639 57.112 56.400 0.121 0.000 0.876 103 E CB 0.082 29.819 29.700 0.061 0.000 0.843 103 E HN 0.328 nan 8.360 nan 0.000 0.530 104 E N -0.377 119.973 120.200 0.251 0.000 2.460 104 E HA 0.049 4.381 4.350 -0.030 0.000 0.200 104 E C 0.768 177.519 176.600 0.252 0.000 1.011 104 E CA -0.206 56.316 56.400 0.203 0.000 0.912 104 E CB 0.036 29.820 29.700 0.140 0.000 0.953 104 E HN 0.201 nan 8.360 nan 0.000 0.494 105 F N 1.703 121.710 119.950 0.094 0.000 2.287 105 F HA -0.171 4.337 4.527 -0.031 0.000 0.301 105 F C 1.766 177.603 175.800 0.062 0.000 1.069 105 F CA 1.257 59.314 58.000 0.095 0.000 1.372 105 F CB 0.084 39.142 39.000 0.096 0.000 1.056 105 F HN -0.005 nan 8.300 nan 0.000 0.523 106 E N -1.017 119.317 120.200 0.223 0.000 2.340 106 E HA -0.009 4.322 4.350 -0.030 0.000 0.198 106 E C 2.358 178.995 176.600 0.062 0.000 0.961 106 E CA 0.746 57.220 56.400 0.123 0.000 0.905 106 E CB -0.631 29.136 29.700 0.111 0.000 0.884 106 E HN 0.217 nan 8.360 nan 0.000 0.491 107 V N -0.823 119.129 119.914 0.064 0.000 2.380 107 V HA -0.266 3.836 4.120 -0.030 0.000 0.251 107 V C 1.974 178.052 176.094 -0.027 0.000 1.063 107 V CA 1.780 64.095 62.300 0.025 0.000 1.055 107 V CB -1.107 30.738 31.823 0.036 0.000 0.657 107 V HN 0.102 nan 8.190 nan 0.000 0.455 108 V N 0.836 120.726 119.914 -0.040 0.000 2.287 108 V HA -0.306 3.796 4.120 -0.030 0.000 0.248 108 V C 2.757 178.746 176.094 -0.175 0.000 1.053 108 V CA 2.656 64.891 62.300 -0.107 0.000 1.027 108 V CB -0.954 30.813 31.823 -0.094 0.000 0.646 108 V HN 0.776 nan 8.190 nan 0.000 0.447 109 E N -0.030 120.099 120.200 -0.117 0.000 2.072 109 E HA -0.245 4.087 4.350 -0.030 0.000 0.191 109 E C 2.260 178.791 176.600 -0.116 0.000 0.985 109 E CA 1.190 57.511 56.400 -0.132 0.000 0.801 109 E CB -0.092 29.586 29.700 -0.036 0.000 0.750 109 E HN 0.710 nan 8.360 nan 0.000 0.452 110 Q N 0.072 119.834 119.800 -0.062 0.000 2.224 110 Q HA -0.105 4.217 4.340 -0.030 0.000 0.203 110 Q C 2.298 178.261 176.000 -0.062 0.000 0.970 110 Q CA 0.983 56.763 55.803 -0.039 0.000 0.865 110 Q CB 0.080 28.815 28.738 -0.006 0.000 0.922 110 Q HN 0.379 nan 8.270 nan 0.000 0.445 111 L N -0.083 121.081 121.223 -0.099 0.000 2.127 111 L HA -0.078 4.244 4.340 -0.030 0.000 0.203 111 L C 2.108 178.881 176.870 -0.161 0.000 1.080 111 L CA 0.591 55.368 54.840 -0.105 0.000 0.768 111 L CB -0.206 41.793 42.059 -0.101 0.000 0.924 111 L HN 0.221 nan 8.230 nan 0.000 0.444 112 L N -0.185 120.853 121.223 -0.309 0.000 2.275 112 L HA -0.128 4.194 4.340 -0.030 0.000 0.215 112 L C 2.800 179.500 176.870 -0.284 0.000 1.119 112 L CA 0.648 55.181 54.840 -0.511 0.000 0.790 112 L CB -0.706 40.589 42.059 -1.275 0.000 0.919 112 L HN 0.232 nan 8.230 nan 0.000 0.443 113 A N 0.384 123.118 122.820 -0.145 0.000 1.902 113 A HA -0.205 4.097 4.320 -0.030 0.000 0.217 113 A C 2.292 179.905 177.584 0.048 0.000 1.181 113 A CA 2.236 54.281 52.037 0.013 0.000 0.623 113 A CB -0.770 18.235 19.000 0.008 0.000 0.818 113 A HN 0.487 nan 8.150 nan 0.000 0.443 114 T N -2.684 111.876 114.554 0.011 0.000 3.144 114 T HA 0.111 4.443 4.350 -0.030 0.000 0.249 114 T C 0.250 174.970 174.700 0.032 0.000 1.089 114 T CA 0.240 62.354 62.100 0.024 0.000 0.989 114 T CB -0.212 68.661 68.868 0.008 0.000 0.992 114 T HN 0.385 nan 8.240 nan 0.000 0.540 115 D N 1.198 121.625 120.400 0.045 0.000 2.249 115 D HA 0.095 4.717 4.640 -0.030 0.000 0.246 115 D C 0.630 176.998 176.300 0.114 0.000 1.114 115 D CA -0.273 53.765 54.000 0.063 0.000 0.854 115 D CB 1.393 42.221 40.800 0.047 0.000 1.132 115 D HN 0.003 nan 8.370 nan 0.000 0.461 116 E N 3.687 123.932 120.200 0.075 0.000 2.077 116 E HA -0.154 4.178 4.350 -0.030 0.000 0.193 116 E C 1.900 178.543 176.600 0.071 0.000 0.989 116 E CA 0.876 57.315 56.400 0.065 0.000 0.800 116 E CB 0.038 29.760 29.700 0.036 0.000 0.746 116 E HN 0.573 nan 8.360 nan 0.000 0.452 117 R N 0.006 120.552 120.500 0.076 0.000 2.091 117 R HA -0.141 4.180 4.340 -0.030 0.000 0.238 117 R C 2.290 178.647 176.300 0.096 0.000 1.136 117 R CA 1.581 57.720 56.100 0.065 0.000 0.959 117 R CB -0.388 29.948 30.300 0.059 0.000 0.856 117 R HN 0.361 nan 8.270 nan 0.000 0.437 118 W N 1.438 122.714 121.300 -0.040 0.000 2.379 118 W HA -0.145 4.511 4.660 -0.006 0.000 0.307 118 W C 1.521 178.022 176.519 -0.029 0.000 1.200 118 W CA 1.281 58.602 57.345 -0.039 0.000 1.297 118 W CB -0.261 29.176 29.460 -0.037 0.000 1.140 118 W HN 0.086 nan 8.180 nan 0.000 0.507 119 L N 0.926 122.243 121.223 0.156 0.000 2.079 119 L HA -0.257 4.065 4.340 -0.030 0.000 0.210 119 L C 2.552 179.392 176.870 -0.050 0.000 1.081 119 L CA 1.541 56.409 54.840 0.047 0.000 0.752 119 L CB -0.753 41.358 42.059 0.087 0.000 0.896 119 L HN -0.089 nan 8.230 nan 0.000 0.433 120 K N -0.017 120.360 120.400 -0.038 0.000 2.097 120 K HA -0.112 4.190 4.320 -0.030 0.000 0.205 120 K C 2.263 178.794 176.600 -0.114 0.000 1.050 120 K CA 1.279 57.531 56.287 -0.057 0.000 0.938 120 K CB -0.235 32.245 32.500 -0.033 0.000 0.718 120 K HN 0.277 nan 8.250 nan 0.000 0.442 121 A N 1.402 124.113 122.820 -0.181 0.000 1.930 121 A HA -0.105 4.196 4.320 -0.030 0.000 0.217 121 A C 2.101 179.500 177.584 -0.310 0.000 1.175 121 A CA 1.169 53.048 52.037 -0.263 0.000 0.627 121 A CB -0.537 18.233 19.000 -0.384 0.000 0.815 121 A HN 0.134 nan 8.150 nan 0.000 0.443 122 L N -0.951 120.049 121.223 -0.372 0.000 2.072 122 L HA -0.137 4.184 4.340 -0.030 0.000 0.205 122 L C 3.116 179.890 176.870 -0.161 0.000 1.079 122 L CA 0.956 55.617 54.840 -0.297 0.000 0.752 122 L CB -0.634 41.260 42.059 -0.276 0.000 0.906 122 L HN 0.429 nan 8.230 nan 0.000 0.436 123 A N 0.365 123.112 122.820 -0.121 0.000 1.908 123 A HA -0.208 4.094 4.320 -0.030 0.000 0.218 123 A C 2.514 180.054 177.584 -0.074 0.000 1.181 123 A CA 1.824 53.815 52.037 -0.075 0.000 0.627 123 A CB -0.743 18.225 19.000 -0.054 0.000 0.818 123 A HN 0.401 nan 8.150 nan 0.000 0.445 124 A N -0.536 122.232 122.820 -0.086 0.000 2.019 124 A HA -0.139 4.163 4.320 -0.030 0.000 0.219 124 A C 2.127 179.667 177.584 -0.073 0.000 1.164 124 A CA 1.509 53.502 52.037 -0.074 0.000 0.644 124 A CB -0.349 18.604 19.000 -0.079 0.000 0.805 124 A HN 0.572 nan 8.150 nan 0.000 0.449 125 R N -1.011 119.435 120.500 -0.091 0.000 2.362 125 R HA 0.106 4.428 4.340 -0.030 0.000 0.227 125 R C -0.323 175.938 176.300 -0.065 0.000 0.905 125 R CA 0.200 56.253 56.100 -0.079 0.000 1.067 125 R CB 0.173 30.412 30.300 -0.101 0.000 1.078 125 R HN 0.468 nan 8.270 nan 0.000 0.516 126 N N 0.942 119.604 118.700 -0.063 0.000 2.758 126 N HA -0.165 4.557 4.740 -0.030 0.000 0.248 126 N C -1.093 174.388 175.510 -0.048 0.000 1.076 126 N CA 0.877 53.898 53.050 -0.047 0.000 0.696 126 N CB -1.383 37.083 38.487 -0.036 0.000 0.979 126 N HN 0.250 nan 8.380 nan 0.000 0.550 127 L N 0.209 121.395 121.223 -0.062 0.000 2.307 127 L HA 0.341 4.662 4.340 -0.030 0.000 0.284 127 L C 0.699 177.548 176.870 -0.035 0.000 1.023 127 L CA -0.788 54.019 54.840 -0.055 0.000 0.810 127 L CB 1.636 43.647 42.059 -0.080 0.000 1.231 127 L HN -0.048 nan 8.230 nan 0.000 0.423 128 D N 2.300 122.691 120.400 -0.015 0.000 2.358 128 D HA -0.017 4.605 4.640 -0.030 0.000 0.258 128 D C 0.896 177.211 176.300 0.026 0.000 1.223 128 D CA 0.166 54.169 54.000 0.005 0.000 0.886 128 D CB 1.955 42.759 40.800 0.008 0.000 1.120 128 D HN 0.337 nan 8.370 nan 0.000 0.482 129 V N 4.224 124.165 119.914 0.045 0.000 2.546 129 V HA -0.271 3.830 4.120 -0.030 0.000 0.254 129 V C 2.193 178.336 176.094 0.082 0.000 1.076 129 V CA 2.818 65.174 62.300 0.093 0.000 1.087 129 V CB -0.400 31.492 31.823 0.115 0.000 0.674 129 V HN 0.723 nan 8.190 nan 0.000 0.470 130 S N -1.030 114.702 115.700 0.054 0.000 2.507 130 S HA -0.092 4.360 4.470 -0.030 0.000 0.235 130 S C 1.624 176.248 174.600 0.039 0.000 0.988 130 S CA 1.076 59.303 58.200 0.045 0.000 0.944 130 S CB -0.339 62.883 63.200 0.035 0.000 0.762 130 S HN 0.754 nan 8.310 nan 0.000 0.526 131 K N 0.682 121.104 120.400 0.037 0.000 2.373 131 K HA 0.325 4.627 4.320 -0.030 0.000 0.202 131 K C -0.828 175.791 176.600 0.031 0.000 1.025 131 K CA -0.103 56.198 56.287 0.024 0.000 1.115 131 K CB 1.144 33.651 32.500 0.010 0.000 0.858 131 K HN 0.192 nan 8.250 nan 0.000 0.525 132 V N 3.246 123.199 119.914 0.065 0.000 2.348 132 V HA 0.220 4.322 4.120 -0.030 0.000 0.270 132 V C 0.115 176.275 176.094 0.109 0.000 1.037 132 V CA -0.786 61.576 62.300 0.103 0.000 0.872 132 V CB 0.793 32.725 31.823 0.181 0.000 1.002 132 V HN 0.167 nan 8.190 nan 0.000 0.464 133 R N 3.422 123.971 120.500 0.081 0.000 2.410 133 R HA 0.622 4.944 4.340 -0.030 0.000 0.288 133 R C -0.839 175.535 176.300 0.123 0.000 1.051 133 R CA -0.483 55.650 56.100 0.055 0.000 1.021 133 R CB 1.810 32.086 30.300 -0.040 0.000 1.032 133 R HN 0.447 nan 8.270 nan 0.000 0.481 134 V N 2.059 122.027 119.914 0.090 0.000 2.443 134 V HA 0.386 4.488 4.120 -0.030 0.000 0.293 134 V C 0.117 176.271 176.094 0.101 0.000 1.021 134 V CA -1.199 61.166 62.300 0.108 0.000 0.848 134 V CB 1.625 33.433 31.823 -0.025 0.000 0.998 134 V HN 0.872 nan 8.190 nan 0.000 0.424 135 A N 7.152 130.092 122.820 0.200 0.000 2.440 135 A HA 0.682 4.984 4.320 -0.030 0.000 0.251 135 A C -2.480 175.165 177.584 0.101 0.000 1.089 135 A CA -1.229 50.912 52.037 0.173 0.000 0.779 135 A CB 0.148 19.362 19.000 0.358 0.000 1.022 135 A HN 0.626 nan 8.150 nan 0.000 0.492 136 P HA 0.388 nan 4.420 nan 0.000 0.274 136 P C -1.073 176.216 177.300 -0.017 0.000 1.470 136 P CA 0.196 63.228 63.100 -0.113 0.000 1.001 136 P CB 0.249 31.720 31.700 -0.381 0.000 1.332 137 L N 1.944 123.254 121.223 0.145 0.000 2.329 137 L HA 0.451 4.773 4.340 -0.030 0.000 0.279 137 L C 0.816 177.921 176.870 0.392 0.000 1.014 137 L CA -0.961 54.083 54.840 0.339 0.000 0.814 137 L CB 1.599 44.026 42.059 0.614 0.000 1.257 137 L HN 0.246 nan 8.230 nan 0.000 0.424 138 S N 1.218 117.231 115.700 0.521 0.000 2.558 138 S HA 0.124 4.575 4.470 -0.030 0.000 0.291 138 S C 0.925 175.756 174.600 0.385 0.000 1.306 138 S CA 0.003 58.410 58.200 0.346 0.000 1.056 138 S CB 1.301 64.746 63.200 0.407 0.000 0.836 138 S HN 0.758 nan 8.310 nan 0.000 0.504 139 A N 3.470 126.386 122.820 0.161 0.000 1.984 139 A HA 0.574 4.876 4.320 -0.030 0.000 0.214 139 A C 1.563 179.300 177.584 0.255 0.000 1.173 139 A CA 0.700 52.766 52.037 0.047 0.000 0.673 139 A CB -1.456 17.472 19.000 -0.120 0.000 0.830 139 A HN 2.394 nan 8.150 nan 0.000 0.453 140 G N -1.817 107.132 108.800 0.249 0.000 2.642 140 G HA2 -0.032 3.910 3.960 -0.030 0.000 0.231 140 G HA3 -0.032 3.910 3.960 -0.030 0.000 0.231 140 G C -0.447 174.541 174.900 0.146 0.000 1.338 140 G CA -0.254 45.008 45.100 0.269 0.000 0.883 140 G HN 1.135 nan 8.290 nan 0.000 0.570 141 V N 0.912 120.777 119.914 -0.082 0.000 2.447 141 V HA 0.747 4.849 4.120 -0.030 0.000 0.292 141 V C -0.266 175.544 176.094 -0.474 0.000 1.021 141 V CA -0.343 61.867 62.300 -0.151 0.000 0.850 141 V CB 1.040 32.764 31.823 -0.166 0.000 1.005 141 V HN 0.724 nan 8.190 nan 0.000 0.426 142 F N 1.544 121.527 119.950 0.055 0.000 3.233 142 F HA 0.424 4.935 4.527 -0.028 0.000 0.324 142 F C 1.547 177.282 175.800 -0.108 0.000 1.443 142 F CA -0.692 57.311 58.000 0.005 0.000 1.043 142 F CB 0.400 39.435 39.000 0.058 0.000 1.662 142 F HN 0.462 nan 8.300 nan 0.000 0.447 143 E N 0.781 120.935 120.200 -0.076 0.000 2.485 143 E HA -0.111 4.221 4.350 -0.030 0.000 0.194 143 E C -0.988 175.403 176.600 -0.349 0.000 1.098 143 E CA 0.509 56.758 56.400 -0.253 0.000 0.878 143 E CB -0.948 28.581 29.700 -0.286 0.000 0.939 143 E HN 0.598 nan 8.360 nan 0.000 0.503 144 Y N 0.650 120.990 120.300 0.067 0.000 2.751 144 Y HA 0.453 4.985 4.550 -0.030 0.000 0.333 144 Y C 1.536 177.441 175.900 0.008 0.000 1.122 144 Y CA -0.177 57.943 58.100 0.033 0.000 1.367 144 Y CB 1.013 39.476 38.460 0.005 0.000 1.242 144 Y HN 0.063 nan 8.280 nan 0.000 0.505 145 A N 2.135 125.009 122.820 0.090 0.000 2.024 145 A HA -0.260 4.041 4.320 -0.030 0.000 0.220 145 A C 2.085 179.700 177.584 0.053 0.000 1.164 145 A CA 1.844 53.910 52.037 0.047 0.000 0.643 145 A CB -0.386 18.627 19.000 0.022 0.000 0.806 145 A HN 0.878 nan 8.150 nan 0.000 0.451 146 E N 0.360 120.609 120.200 0.083 0.000 2.153 146 E HA -0.240 4.091 4.350 -0.030 0.000 0.194 146 E C 1.472 178.094 176.600 0.035 0.000 0.988 146 E CA 1.365 57.800 56.400 0.058 0.000 0.811 146 E CB -0.494 29.250 29.700 0.074 0.000 0.746 146 E HN 0.768 nan 8.360 nan 0.000 0.466 147 E N 1.023 121.252 120.200 0.047 0.000 2.274 147 E HA -0.084 4.247 4.350 -0.030 0.000 0.194 147 E C 0.899 177.492 176.600 -0.010 0.000 0.996 147 E CA -0.052 56.351 56.400 0.005 0.000 0.840 147 E CB -0.120 29.577 29.700 -0.005 0.000 0.772 147 E HN 0.084 nan 8.360 nan 0.000 0.491 148 R N 1.133 121.630 120.500 -0.005 0.000 2.504 148 R HA -0.101 4.221 4.340 -0.030 0.000 0.291 148 R C 0.775 177.051 176.300 -0.040 0.000 0.974 148 R CA 1.330 57.412 56.100 -0.031 0.000 1.077 148 R CB -0.241 30.041 30.300 -0.030 0.000 0.926 148 R HN 0.344 nan 8.270 nan 0.000 0.407 149 G N 4.169 112.933 108.800 -0.059 0.000 2.212 149 G HA2 -0.330 3.611 3.960 -0.030 0.000 0.266 149 G HA3 -0.330 3.611 3.960 -0.030 0.000 0.266 149 G C 0.112 174.984 174.900 -0.046 0.000 0.978 149 G CA 0.647 45.711 45.100 -0.060 0.000 0.632 149 G HN 0.638 nan 8.290 nan 0.000 0.537 150 R N -0.302 120.175 120.500 -0.038 0.000 2.598 150 R HA 0.601 4.922 4.340 -0.030 0.000 0.279 150 R C 0.334 176.615 176.300 -0.032 0.000 0.984 150 R CA -0.908 55.176 56.100 -0.027 0.000 0.999 150 R CB 1.132 31.418 30.300 -0.023 0.000 1.114 150 R HN 0.165 nan 8.270 nan 0.000 0.493 151 R N 3.101 123.591 120.500 -0.017 0.000 2.296 151 R HA 0.211 4.532 4.340 -0.030 0.000 0.327 151 R C -0.557 175.721 176.300 -0.036 0.000 1.137 151 R CA -0.240 55.846 56.100 -0.023 0.000 1.020 151 R CB 0.205 30.510 30.300 0.010 0.000 1.110 151 R HN 0.407 nan 8.270 nan 0.000 0.499 152 I N 4.917 125.452 120.570 -0.058 0.000 2.707 152 I HA 0.455 4.607 4.170 -0.030 0.000 0.309 152 I C -0.016 176.049 176.117 -0.086 0.000 1.001 152 I CA -1.075 60.176 61.300 -0.081 0.000 1.129 152 I CB 1.700 39.626 38.000 -0.123 0.000 1.308 152 I HN 0.586 nan 8.210 nan 0.000 0.466 153 L N 4.014 125.179 121.223 -0.095 0.000 2.482 153 L HA 0.467 4.789 4.340 -0.030 0.000 0.263 153 L C -0.370 176.434 176.870 -0.110 0.000 0.957 153 L CA -0.696 54.097 54.840 -0.079 0.000 0.836 153 L CB 2.719 44.748 42.059 -0.051 0.000 1.324 153 L HN 0.556 nan 8.230 nan 0.000 0.406 154 R N 0.871 121.287 120.500 -0.140 0.000 2.643 154 R HA 0.770 5.092 4.340 -0.030 0.000 0.272 154 R C -0.129 176.177 176.300 0.011 0.000 0.995 154 R CA -0.782 55.211 56.100 -0.178 0.000 1.032 154 R CB 1.831 31.696 30.300 -0.725 0.000 1.126 154 R HN 0.724 nan 8.270 nan 0.000 0.505 155 G N 1.639 110.471 108.800 0.054 0.000 2.707 155 G HA2 0.523 4.465 3.960 -0.030 0.000 0.299 155 G HA3 0.523 4.465 3.960 -0.030 0.000 0.299 155 G C -1.012 174.036 174.900 0.246 0.000 1.442 155 G CA -0.599 44.568 45.100 0.112 0.000 1.009 155 G HN 0.258 nan 8.290 nan 0.000 0.515 156 L N 1.723 123.153 121.223 0.345 0.000 2.329 156 L HA 0.734 5.056 4.340 -0.030 0.000 0.279 156 L C 0.587 177.550 176.870 0.154 0.000 1.014 156 L CA -0.971 54.042 54.840 0.288 0.000 0.814 156 L CB 2.088 44.386 42.059 0.398 0.000 1.257 156 L HN 0.622 nan 8.230 nan 0.000 0.424 157 A N 3.123 125.941 122.820 -0.003 0.000 2.306 157 A HA 0.839 5.140 4.320 -0.030 0.000 0.314 157 A C -1.144 176.124 177.584 -0.527 0.000 1.164 157 A CA -0.205 51.816 52.037 -0.025 0.000 0.822 157 A CB 0.499 19.629 19.000 0.216 0.000 1.130 157 A HN 0.513 nan 8.150 nan 0.000 0.496 158 F N 0.787 120.714 119.950 -0.038 0.000 2.569 158 F HA 0.458 4.968 4.527 -0.027 0.000 0.312 158 F C -0.108 175.646 175.800 -0.076 0.000 1.109 158 F CA -0.727 57.205 58.000 -0.114 0.000 0.919 158 F CB 2.325 41.126 39.000 -0.332 0.000 1.211 158 F HN 0.311 nan 8.300 nan 0.000 0.446 159 V N 2.488 122.486 119.914 0.140 0.000 2.465 159 V HA 0.324 4.426 4.120 -0.030 0.000 0.279 159 V C -0.386 175.758 176.094 0.084 0.000 1.045 159 V CA -0.555 61.791 62.300 0.075 0.000 0.938 159 V CB 1.405 33.237 31.823 0.015 0.000 0.986 159 V HN 0.768 nan 8.190 nan 0.000 0.467 160 Q N 2.861 122.658 119.800 -0.004 0.000 2.413 160 Q HA 0.242 4.564 4.340 -0.030 0.000 0.258 160 Q C 0.085 176.032 176.000 -0.087 0.000 1.037 160 Q CA -0.608 55.152 55.803 -0.072 0.000 0.764 160 Q CB 1.225 29.898 28.738 -0.109 0.000 1.217 160 Q HN 0.780 nan 8.270 nan 0.000 0.490 161 D N 3.319 123.652 120.400 -0.111 0.000 2.117 161 D HA -0.060 4.562 4.640 -0.030 0.000 0.197 161 D C 0.296 176.687 176.300 0.151 0.000 0.987 161 D CA 1.420 55.429 54.000 0.015 0.000 0.829 161 D CB 0.116 40.987 40.800 0.119 0.000 0.961 161 D HN 0.446 nan 8.370 nan 0.000 0.460 162 F N -3.297 116.649 119.950 -0.007 0.000 2.664 162 F HA 0.427 4.931 4.527 -0.038 0.000 0.317 162 F C -2.169 173.624 175.800 -0.010 0.000 1.108 162 F CA -2.177 55.816 58.000 -0.013 0.000 0.957 162 F CB 0.423 39.409 39.000 -0.022 0.000 1.365 162 F HN -0.402 nan 8.300 nan 0.000 0.475 163 P HA -0.159 nan 4.420 nan 0.000 0.218 163 P C 0.077 177.372 177.300 -0.009 0.000 1.146 163 P CA 1.884 65.014 63.100 0.050 0.000 0.813 163 P CB 0.115 31.869 31.700 0.090 0.000 0.778 164 E N -0.871 119.361 120.200 0.054 0.000 2.481 164 E HA 0.106 4.437 4.350 -0.030 0.000 0.198 164 E C 0.203 176.607 176.600 -0.327 0.000 1.027 164 E CA -0.245 56.148 56.400 -0.011 0.000 0.900 164 E CB -0.371 29.453 29.700 0.206 0.000 0.993 164 E HN 0.232 nan 8.360 nan 0.000 0.482 165 D N 0.508 120.338 120.400 -0.951 0.000 2.372 165 D HA 0.056 4.678 4.640 -0.030 0.000 0.243 165 D C -0.500 175.555 176.300 -0.408 0.000 1.121 165 D CA -0.013 53.374 54.000 -1.020 0.000 0.898 165 D CB 0.953 40.892 40.800 -1.436 0.000 1.202 165 D HN -0.095 nan 8.370 nan 0.000 0.428 166 S N 2.278 117.833 115.700 -0.241 0.000 2.411 166 S HA 0.399 4.851 4.470 -0.030 0.000 0.304 166 S C 1.094 175.647 174.600 -0.079 0.000 1.098 166 S CA -0.232 57.916 58.200 -0.086 0.000 1.068 166 S CB 0.143 63.345 63.200 0.003 0.000 1.032 166 S HN 0.512 nan 8.310 nan 0.000 0.511 167 A N 4.886 127.563 122.820 -0.240 0.000 2.024 167 A HA -0.070 4.232 4.320 -0.030 0.000 0.220 167 A C 1.428 178.884 177.584 -0.215 0.000 1.164 167 A CA 1.098 52.995 52.037 -0.233 0.000 0.643 167 A CB -0.745 18.014 19.000 -0.402 0.000 0.806 167 A HN 0.990 nan 8.150 nan 0.000 0.451 168 W N -0.266 121.008 121.300 -0.042 0.000 2.421 168 W HA 0.020 4.666 4.660 -0.023 0.000 0.270 168 W C 2.386 179.022 176.519 0.196 0.000 1.233 168 W CA 0.765 58.082 57.345 -0.046 0.000 1.226 168 W CB -0.153 29.282 29.460 -0.041 0.000 1.121 168 W HN 0.368 nan 8.180 nan 0.000 0.579 169 A N -0.565 122.434 122.820 0.300 0.000 2.167 169 A HA -0.051 4.251 4.320 -0.030 0.000 0.214 169 A C 0.104 177.520 177.584 -0.280 0.000 1.151 169 A CA 0.760 52.857 52.037 0.100 0.000 0.735 169 A CB -0.841 18.160 19.000 0.002 0.000 0.802 169 A HN 0.471 nan 8.150 nan 0.000 0.467 170 H N -0.135 119.070 119.070 0.226 0.000 2.336 170 H HA 0.265 4.814 4.556 -0.011 0.000 0.230 170 H C -2.817 172.569 175.328 0.096 0.000 1.426 170 H CA -1.965 54.161 56.048 0.129 0.000 1.359 170 H CB 0.480 30.295 29.762 0.088 0.000 1.555 170 H HN 0.279 nan 8.280 nan 0.000 0.512 171 P HA 0.014 nan 4.420 nan 0.000 0.275 171 P C -0.053 177.120 177.300 -0.211 0.000 1.227 171 P CA -0.288 62.698 63.100 -0.189 0.000 0.781 171 P CB 2.211 33.850 31.700 -0.102 0.000 0.906 172 V N 3.786 123.491 119.914 -0.348 0.000 2.288 172 V HA 0.150 4.252 4.120 -0.030 0.000 0.266 172 V C 0.730 176.681 176.094 -0.238 0.000 1.048 172 V CA -0.229 61.939 62.300 -0.221 0.000 0.842 172 V CB 0.344 32.036 31.823 -0.217 0.000 1.064 172 V HN 0.552 nan 8.190 nan 0.000 0.472 173 D N 3.208 123.475 120.400 -0.221 0.000 2.398 173 D HA 0.376 4.998 4.640 -0.030 0.000 0.247 173 D C 1.361 177.514 176.300 -0.246 0.000 1.227 173 D CA 1.217 54.991 54.000 -0.376 0.000 0.980 173 D CB 1.693 42.029 40.800 -0.774 0.000 1.106 173 D HN 0.732 nan 8.370 nan 0.000 0.493 174 G N -0.195 108.405 108.800 -0.333 0.000 2.168 174 G HA2 -0.231 3.710 3.960 -0.030 0.000 0.263 174 G HA3 -0.231 3.710 3.960 -0.030 0.000 0.263 174 G C -0.034 174.878 174.900 0.020 0.000 0.977 174 G CA 0.821 45.948 45.100 0.045 0.000 0.659 174 G HN 0.475 nan 8.290 nan 0.000 0.533 175 L N -0.361 120.834 121.223 -0.047 0.000 2.431 175 L HA 0.923 5.244 4.340 -0.030 0.000 0.266 175 L C -0.693 176.202 176.870 0.042 0.000 0.978 175 L CA -0.991 53.820 54.840 -0.048 0.000 0.822 175 L CB 2.429 44.381 42.059 -0.179 0.000 1.310 175 L HN 0.666 nan 8.230 nan 0.000 0.409 176 V N 3.667 123.637 119.914 0.092 0.000 3.077 176 V HA 0.979 5.080 4.120 -0.030 0.000 0.299 176 V C -1.505 174.618 176.094 0.049 0.000 1.276 176 V CA 0.336 62.735 62.300 0.164 0.000 0.993 176 V CB 2.125 34.068 31.823 0.200 0.000 1.076 176 V HN 1.252 nan 8.190 nan 0.000 0.434 177 A N 4.413 127.263 122.820 0.050 0.000 2.498 177 A HA 0.979 5.281 4.320 -0.030 0.000 0.298 177 A C -2.125 175.408 177.584 -0.086 0.000 1.075 177 A CA -0.474 51.484 52.037 -0.131 0.000 0.714 177 A CB 1.828 20.798 19.000 -0.051 0.000 1.299 177 A HN 0.897 nan 8.150 nan 0.000 0.407 178 Y N 0.083 120.253 120.300 -0.216 0.000 2.393 178 Y HA 0.609 5.142 4.550 -0.028 0.000 0.341 178 Y C 0.252 176.029 175.900 -0.205 0.000 0.988 178 Y CA -1.490 56.443 58.100 -0.278 0.000 1.078 178 Y CB 1.776 40.017 38.460 -0.366 0.000 1.203 178 Y HN 0.838 nan 8.280 nan 0.000 0.453 179 V N -0.947 118.952 119.914 -0.026 0.000 3.007 179 V HA 0.609 4.711 4.120 -0.030 0.000 0.311 179 V C -1.167 174.897 176.094 -0.050 0.000 1.120 179 V CA -0.877 61.389 62.300 -0.056 0.000 0.980 179 V CB 2.579 34.348 31.823 -0.090 0.000 1.033 179 V HN 0.705 nan 8.190 nan 0.000 0.429 180 D N 2.328 122.705 120.400 -0.038 0.000 2.412 180 D HA 0.331 4.953 4.640 -0.030 0.000 0.224 180 D C 1.125 177.417 176.300 -0.013 0.000 1.093 180 D CA 0.102 54.087 54.000 -0.026 0.000 0.850 180 D CB 1.978 42.768 40.800 -0.017 0.000 1.046 180 D HN 0.760 nan 8.370 nan 0.000 0.507 181 V N 2.650 122.560 119.914 -0.006 0.000 2.626 181 V HA -0.175 3.926 4.120 -0.030 0.000 0.252 181 V C 1.982 178.104 176.094 0.047 0.000 1.067 181 V CA 1.661 63.970 62.300 0.015 0.000 1.081 181 V CB -1.047 30.784 31.823 0.015 0.000 0.686 181 V HN 0.482 nan 8.190 nan 0.000 0.468 182 V N 0.181 120.128 119.914 0.056 0.000 2.331 182 V HA -0.030 4.072 4.120 -0.030 0.000 0.242 182 V C 2.630 178.744 176.094 0.033 0.000 1.034 182 V CA 1.828 64.170 62.300 0.069 0.000 1.027 182 V CB -1.165 30.705 31.823 0.077 0.000 0.667 182 V HN 0.664 nan 8.190 nan 0.000 0.457 183 S N -0.635 115.075 115.700 0.018 0.000 2.607 183 S HA 0.047 4.499 4.470 -0.030 0.000 0.224 183 S C 0.928 175.531 174.600 0.005 0.000 0.969 183 S CA 0.283 58.488 58.200 0.008 0.000 0.927 183 S CB -0.872 62.329 63.200 0.001 0.000 0.772 183 S HN 0.692 nan 8.310 nan 0.000 0.533 184 K N 1.724 122.128 120.400 0.007 0.000 3.689 184 K HA -0.192 4.110 4.320 -0.030 0.000 0.276 184 K C -0.439 176.155 176.600 -0.011 0.000 0.932 184 K CA 1.217 57.503 56.287 -0.001 0.000 0.758 184 K CB -1.772 30.732 32.500 0.007 0.000 1.500 184 K HN 0.961 nan 8.250 nan 0.000 0.448 185 E N -1.870 118.319 120.200 -0.018 0.000 2.392 185 E HA 0.395 4.727 4.350 -0.030 0.000 0.279 185 E C -0.833 175.747 176.600 -0.034 0.000 0.964 185 E CA -1.233 55.154 56.400 -0.023 0.000 0.777 185 E CB 1.594 31.286 29.700 -0.013 0.000 1.249 185 E HN -0.049 nan 8.360 nan 0.000 0.449 186 V N 2.950 122.841 119.914 -0.040 0.000 2.372 186 V HA 0.054 4.156 4.120 -0.030 0.000 0.261 186 V C 1.507 177.581 176.094 -0.033 0.000 1.055 186 V CA 0.511 62.781 62.300 -0.050 0.000 0.930 186 V CB 0.313 32.099 31.823 -0.062 0.000 1.031 186 V HN 0.985 nan 8.190 nan 0.000 0.479 187 T N 3.018 117.558 114.554 -0.024 0.000 2.777 187 T HA 0.033 4.365 4.350 -0.030 0.000 0.266 187 T C 0.833 175.519 174.700 -0.024 0.000 1.040 187 T CA 0.763 62.858 62.100 -0.009 0.000 1.141 187 T CB 0.206 69.079 68.868 0.008 0.000 0.868 187 T HN 0.563 nan 8.240 nan 0.000 0.444 188 R N -0.912 119.542 120.500 -0.077 0.000 2.710 188 R HA 0.688 5.010 4.340 -0.030 0.000 0.270 188 R C -2.157 173.979 176.300 -0.273 0.000 1.021 188 R CA -0.820 55.172 56.100 -0.180 0.000 0.889 188 R CB 2.755 32.899 30.300 -0.261 0.000 1.243 188 R HN 0.054 nan 8.270 nan 0.000 0.464 189 V N 3.173 122.959 119.914 -0.213 0.000 2.612 189 V HA 0.480 4.582 4.120 -0.030 0.000 0.301 189 V C -0.676 175.331 176.094 -0.145 0.000 1.059 189 V CA -0.578 61.642 62.300 -0.133 0.000 0.886 189 V CB 1.952 33.789 31.823 0.024 0.000 1.007 189 V HN 0.550 nan 8.190 nan 0.000 0.426 190 I N 3.866 124.332 120.570 -0.172 0.000 2.433 190 I HA 0.521 4.672 4.170 -0.030 0.000 0.292 190 I C -0.938 175.149 176.117 -0.050 0.000 1.001 190 I CA -0.292 60.940 61.300 -0.113 0.000 1.119 190 I CB 2.030 39.946 38.000 -0.139 0.000 1.289 190 I HN 0.514 nan 8.210 nan 0.000 0.438 191 D N 4.500 124.881 120.400 -0.031 0.000 2.440 191 D HA 0.149 4.770 4.640 -0.030 0.000 0.252 191 D C 0.779 177.086 176.300 0.011 0.000 1.180 191 D CA -0.266 53.721 54.000 -0.021 0.000 0.894 191 D CB 1.619 42.392 40.800 -0.046 0.000 1.111 191 D HN 0.667 nan 8.370 nan 0.000 0.544 192 T N 0.267 114.852 114.554 0.051 0.000 3.129 192 T HA 0.459 4.790 4.350 -0.030 0.000 0.251 192 T C 0.917 175.668 174.700 0.086 0.000 1.117 192 T CA 0.386 62.532 62.100 0.077 0.000 1.034 192 T CB 0.278 69.215 68.868 0.116 0.000 0.968 192 T HN 0.549 nan 8.240 nan 0.000 0.526 193 G N 0.012 108.862 108.800 0.082 0.000 2.333 193 G HA2 0.307 4.249 3.960 -0.030 0.000 0.330 193 G HA3 0.307 4.249 3.960 -0.030 0.000 0.330 193 G C -1.446 173.494 174.900 0.067 0.000 1.465 193 G CA -0.694 44.418 45.100 0.020 0.000 0.996 193 G HN 0.284 nan 8.290 nan 0.000 0.655 194 V N 0.706 120.590 119.914 -0.051 0.000 2.498 194 V HA 0.667 4.769 4.120 -0.030 0.000 0.279 194 V C -0.323 175.710 176.094 -0.101 0.000 1.048 194 V CA -0.011 62.280 62.300 -0.014 0.000 0.967 194 V CB 0.804 32.592 31.823 -0.058 0.000 0.988 194 V HN 0.530 nan 8.190 nan 0.000 0.473 195 F N 4.620 124.533 119.950 -0.062 0.000 2.520 195 F HA 0.564 5.066 4.527 -0.043 0.000 0.322 195 F C -2.007 173.768 175.800 -0.043 0.000 1.103 195 F CA -2.603 55.368 58.000 -0.050 0.000 0.926 195 F CB 1.573 40.542 39.000 -0.051 0.000 1.154 195 F HN 0.332 nan 8.300 nan 0.000 0.453 196 P HA 0.091 nan 4.420 nan 0.000 0.265 196 P C -0.806 176.551 177.300 0.095 0.000 1.193 196 P CA -0.114 63.033 63.100 0.079 0.000 0.765 196 P CB 0.499 32.236 31.700 0.061 0.000 0.823 197 V N 6.844 126.796 119.914 0.064 0.000 2.427 197 V HA 0.143 4.245 4.120 -0.030 0.000 0.268 197 V C -1.828 174.331 176.094 0.108 0.000 1.046 197 V CA -1.514 60.828 62.300 0.069 0.000 0.970 197 V CB 0.365 32.212 31.823 0.042 0.000 1.001 197 V HN 0.583 nan 8.190 nan 0.000 0.476 198 P HA -0.031 nan 4.420 nan 0.000 0.259 198 P C 0.521 177.978 177.300 0.261 0.000 1.163 198 P CA 0.513 63.692 63.100 0.133 0.000 0.760 198 P CB 0.685 32.421 31.700 0.059 0.000 0.762 199 A N 3.885 126.821 122.820 0.194 0.000 1.903 199 A HA -0.056 4.246 4.320 -0.030 0.000 0.213 199 A C 0.858 178.620 177.584 0.296 0.000 1.185 199 A CA 0.630 52.795 52.037 0.213 0.000 0.628 199 A CB -0.565 18.506 19.000 0.119 0.000 0.830 199 A HN 0.557 nan 8.150 nan 0.000 0.446 200 E N 0.695 121.020 120.200 0.208 0.000 2.452 200 E HA 0.153 4.484 4.350 -0.030 0.000 0.261 200 E C -0.192 176.566 176.600 0.264 0.000 0.987 200 E CA 0.122 56.626 56.400 0.173 0.000 0.926 200 E CB 0.271 30.029 29.700 0.097 0.000 0.934 200 E HN 0.768 nan 8.360 nan 0.000 0.452 201 H N -0.035 119.212 119.070 0.296 0.000 2.508 201 H HA 0.476 5.011 4.556 -0.035 0.000 0.358 201 H C 0.501 175.953 175.328 0.205 0.000 1.212 201 H CA -0.790 55.411 56.048 0.255 0.000 1.356 201 H CB 1.091 31.017 29.762 0.274 0.000 1.525 201 H HN 0.463 nan 8.280 nan 0.000 0.578 202 G N 1.085 110.097 108.800 0.354 0.000 4.637 202 G HA2 0.057 3.999 3.960 -0.030 0.000 0.294 202 G HA3 0.057 3.999 3.960 -0.030 0.000 0.294 202 G C -0.718 174.203 174.900 0.035 0.000 1.215 202 G CA -0.668 44.505 45.100 0.122 0.000 0.943 202 G HN 0.623 nan 8.290 nan 0.000 0.572 203 N N 1.766 120.619 118.700 0.254 0.000 2.448 203 N HA 0.098 4.820 4.740 -0.030 0.000 0.250 203 N C 0.812 176.235 175.510 -0.145 0.000 1.136 203 N CA -0.392 52.561 53.050 -0.161 0.000 0.953 203 N CB 0.581 38.962 38.487 -0.176 0.000 1.251 203 N HN 0.552 nan 8.380 nan 0.000 0.502 204 Y N -0.314 119.980 120.300 -0.009 0.000 2.680 204 Y HA -0.020 4.513 4.550 -0.029 0.000 0.303 204 Y C 1.654 177.552 175.900 -0.003 0.000 1.166 204 Y CA 0.240 58.321 58.100 -0.031 0.000 1.344 204 Y CB -0.675 37.727 38.460 -0.096 0.000 1.002 204 Y HN 0.303 nan 8.280 nan 0.000 0.537 205 T N -4.178 110.344 114.554 -0.054 0.000 3.044 205 T HA 0.074 4.405 4.350 -0.030 0.000 0.260 205 T C 0.018 174.720 174.700 0.003 0.000 1.019 205 T CA -0.316 61.791 62.100 0.012 0.000 0.921 205 T CB -0.118 68.742 68.868 -0.013 0.000 1.053 205 T HN 0.207 nan 8.240 nan 0.000 0.533 206 D N 2.661 123.063 120.400 0.004 0.000 2.325 206 D HA 0.260 4.881 4.640 -0.030 0.000 0.251 206 D C -1.697 174.636 176.300 0.056 0.000 1.196 206 D CA -2.363 51.647 54.000 0.017 0.000 0.866 206 D CB 1.935 42.739 40.800 0.006 0.000 1.101 206 D HN -0.018 nan 8.370 nan 0.000 0.476 207 P HA -0.184 nan 4.420 nan 0.000 0.218 207 P C 0.969 178.303 177.300 0.056 0.000 1.146 207 P CA 1.250 64.374 63.100 0.040 0.000 0.820 207 P CB 0.150 31.863 31.700 0.023 0.000 0.778 208 E N -1.101 119.144 120.200 0.075 0.000 2.208 208 E HA -0.141 4.191 4.350 -0.030 0.000 0.193 208 E C 1.777 178.442 176.600 0.107 0.000 0.988 208 E CA 0.712 57.168 56.400 0.093 0.000 0.828 208 E CB -0.905 28.868 29.700 0.123 0.000 0.763 208 E HN 0.161 nan 8.360 nan 0.000 0.478 209 L N 1.505 122.810 121.223 0.138 0.000 2.221 209 L HA 0.047 4.368 4.340 -0.030 0.000 0.202 209 L C 2.395 179.313 176.870 0.080 0.000 1.074 209 L CA 2.036 56.946 54.840 0.115 0.000 0.795 209 L CB -0.372 41.793 42.059 0.176 0.000 0.960 209 L HN 0.344 nan 8.230 nan 0.000 0.458 210 T N -2.541 112.060 114.554 0.078 0.000 2.904 210 T HA 0.347 4.679 4.350 -0.030 0.000 0.267 210 T C 1.224 175.951 174.700 0.045 0.000 1.059 210 T CA 0.579 62.715 62.100 0.059 0.000 1.137 210 T CB -0.894 68.009 68.868 0.058 0.000 0.879 210 T HN 0.767 nan 8.240 nan 0.000 0.467 211 G N 1.845 110.672 108.800 0.046 0.000 2.741 211 G HA2 -0.047 3.895 3.960 -0.030 0.000 0.222 211 G HA3 -0.047 3.895 3.960 -0.030 0.000 0.222 211 G C -2.908 172.010 174.900 0.029 0.000 1.364 211 G CA -0.735 44.387 45.100 0.036 0.000 0.866 211 G HN 0.516 nan 8.290 nan 0.000 0.555 212 P HA 0.418 nan 4.420 nan 0.000 0.266 212 P C 0.200 177.511 177.300 0.018 0.000 1.215 212 P CA -0.445 62.666 63.100 0.019 0.000 0.763 212 P CB 0.460 32.169 31.700 0.016 0.000 0.806 213 L N 4.170 125.404 121.223 0.018 0.000 2.485 213 L HA 0.062 4.384 4.340 -0.030 0.000 0.275 213 L C 1.319 178.197 176.870 0.012 0.000 1.207 213 L CA 0.557 55.406 54.840 0.016 0.000 0.855 213 L CB -0.226 41.843 42.059 0.016 0.000 1.114 213 L HN 0.322 nan 8.230 nan 0.000 0.485 214 R N 1.045 121.551 120.500 0.010 0.000 2.679 214 R HA 0.166 4.488 4.340 -0.030 0.000 0.268 214 R C 0.602 176.906 176.300 0.007 0.000 1.044 214 R CA 0.658 56.762 56.100 0.008 0.000 1.105 214 R CB 0.033 30.337 30.300 0.006 0.000 0.989 214 R HN 0.798 nan 8.270 nan 0.000 0.447 215 T N -4.011 110.546 114.554 0.005 0.000 3.091 215 T HA -0.007 4.325 4.350 -0.030 0.000 0.277 215 T C 1.301 176.003 174.700 0.003 0.000 0.996 215 T CA 0.036 62.139 62.100 0.005 0.000 0.897 215 T CB 0.346 69.217 68.868 0.005 0.000 1.109 215 T HN 0.674 nan 8.240 nan 0.000 0.534 216 T N -0.804 113.752 114.554 0.003 0.000 3.067 216 T HA 0.172 4.504 4.350 -0.030 0.000 0.257 216 T C 0.771 175.471 174.700 0.000 0.000 1.105 216 T CA 0.002 62.103 62.100 0.001 0.000 1.104 216 T CB -0.324 68.545 68.868 0.001 0.000 0.925 216 T HN 0.383 nan 8.240 nan 0.000 0.498 217 Q N 1.876 121.676 119.800 0.001 0.000 2.307 217 Q HA 0.246 4.568 4.340 -0.030 0.000 0.261 217 Q C -0.428 175.573 176.000 0.000 0.000 1.051 217 Q CA -0.272 55.531 55.803 -0.000 0.000 0.911 217 Q CB 0.636 29.374 28.738 -0.000 0.000 1.227 217 Q HN 0.175 nan 8.270 nan 0.000 0.418 218 K N 3.791 124.191 120.400 -0.000 0.000 2.144 218 K HA 0.393 4.695 4.320 -0.030 0.000 0.270 218 K C -2.035 174.566 176.600 0.001 0.000 1.005 218 K CA -1.745 54.542 56.287 0.000 0.000 0.932 218 K CB 0.353 32.853 32.500 -0.000 0.000 1.021 218 K HN 0.524 nan 8.250 nan 0.000 0.462 219 P HA 0.223 nan 4.420 nan 0.000 0.269 219 P C -0.457 176.845 177.300 0.004 0.000 1.215 219 P CA -0.058 63.044 63.100 0.004 0.000 0.780 219 P CB 0.626 32.329 31.700 0.005 0.000 0.898 220 I N 0.914 121.488 120.570 0.006 0.000 2.411 220 I HA 0.139 4.291 4.170 -0.030 0.000 0.284 220 I C 0.255 176.378 176.117 0.011 0.000 1.012 220 I CA -0.548 60.756 61.300 0.007 0.000 1.119 220 I CB 1.776 39.781 38.000 0.007 0.000 1.261 220 I HN 0.273 nan 8.210 nan 0.000 0.448 221 S N 7.170 122.877 115.700 0.012 0.000 2.429 221 S HA 0.637 5.088 4.470 -0.030 0.000 0.302 221 S C -0.664 173.948 174.600 0.020 0.000 1.115 221 S CA -0.407 57.802 58.200 0.015 0.000 1.095 221 S CB 0.245 63.453 63.200 0.013 0.000 0.987 221 S HN 0.365 nan 8.310 nan 0.000 0.474 222 I N 5.033 125.617 120.570 0.024 0.000 2.382 222 I HA 0.423 4.575 4.170 -0.030 0.000 0.286 222 I C 0.412 176.549 176.117 0.033 0.000 1.002 222 I CA -0.008 61.313 61.300 0.034 0.000 1.135 222 I CB 1.696 39.721 38.000 0.043 0.000 1.288 222 I HN 0.711 nan 8.210 nan 0.000 0.448 223 T N 2.009 116.584 114.554 0.035 0.000 2.883 223 T HA 0.641 4.972 4.350 -0.030 0.000 0.296 223 T C -0.708 174.015 174.700 0.038 0.000 1.117 223 T CA -0.927 61.193 62.100 0.032 0.000 1.006 223 T CB 1.891 70.774 68.868 0.024 0.000 1.191 223 T HN 0.451 nan 8.240 nan 0.000 0.508 224 Q N 1.571 121.390 119.800 0.033 0.000 2.616 224 Q HA 0.275 4.597 4.340 -0.030 0.000 0.250 224 Q C -1.859 174.151 176.000 0.018 0.000 0.991 224 Q CA -2.091 53.731 55.803 0.032 0.000 0.707 224 Q CB 2.002 30.762 28.738 0.037 0.000 1.247 224 Q HN 0.571 nan 8.270 nan 0.000 0.491 225 P HA -0.198 nan 4.420 nan 0.000 0.220 225 P C 0.012 177.316 177.300 0.006 0.000 1.144 225 P CA 1.356 64.462 63.100 0.011 0.000 0.800 225 P CB 0.477 32.184 31.700 0.012 0.000 0.772 226 E N -0.556 119.647 120.200 0.005 0.000 2.558 226 E HA 0.392 4.724 4.350 -0.030 0.000 0.205 226 E C 0.743 177.334 176.600 -0.015 0.000 1.006 226 E CA -0.058 56.341 56.400 -0.002 0.000 0.961 226 E CB 0.407 30.108 29.700 0.002 0.000 1.044 226 E HN 0.205 nan 8.360 nan 0.000 0.465 227 G N 3.176 111.964 108.800 -0.020 0.000 2.781 227 G HA2 -0.185 3.756 3.960 -0.030 0.000 0.683 227 G HA3 -0.185 3.756 3.960 -0.030 0.000 0.683 227 G C -2.709 172.147 174.900 -0.074 0.000 1.390 227 G CA -0.946 44.123 45.100 -0.052 0.000 0.850 227 G HN -0.001 nan 8.290 nan 0.000 0.557 228 P HA 0.322 nan 4.420 nan 0.000 0.272 228 P C 0.627 177.819 177.300 -0.181 0.000 1.240 228 P CA 0.109 63.060 63.100 -0.248 0.000 0.791 228 P CB 1.093 32.334 31.700 -0.765 0.000 0.978 229 S N -0.119 115.605 115.700 0.041 0.000 2.558 229 S HA 0.125 4.577 4.470 -0.030 0.000 0.217 229 S C 0.637 175.403 174.600 0.277 0.000 0.975 229 S CA 0.041 58.337 58.200 0.161 0.000 0.912 229 S CB -0.730 62.626 63.200 0.259 0.000 0.776 229 S HN 0.565 nan 8.310 nan 0.000 0.526 230 F N 1.991 122.136 119.950 0.325 0.000 2.425 230 F HA 0.741 5.250 4.527 -0.030 0.000 0.331 230 F C 0.109 175.999 175.800 0.150 0.000 1.085 230 F CA -1.170 57.009 58.000 0.298 0.000 1.028 230 F CB 0.412 39.564 39.000 0.254 0.000 1.177 230 F HN -0.144 nan 8.300 nan 0.000 0.487 231 T N 0.235 114.976 114.554 0.311 0.000 2.855 231 T HA 0.732 5.063 4.350 -0.030 0.000 0.281 231 T C -1.042 173.818 174.700 0.267 0.000 1.007 231 T CA -0.785 61.429 62.100 0.190 0.000 1.009 231 T CB 1.475 70.425 68.868 0.138 0.000 0.983 231 T HN 0.675 nan 8.240 nan 0.000 0.455 232 V N 3.816 123.859 119.914 0.214 0.000 2.407 232 V HA 0.659 4.761 4.120 -0.030 0.000 0.291 232 V C 0.494 176.683 176.094 0.157 0.000 1.018 232 V CA -0.615 61.805 62.300 0.200 0.000 0.842 232 V CB 1.161 33.109 31.823 0.208 0.000 0.996 232 V HN 1.295 nan 8.190 nan 0.000 0.426 233 T N 0.283 114.946 114.554 0.182 0.000 2.907 233 T HA 0.684 5.016 4.350 -0.030 0.000 0.290 233 T C 0.935 175.725 174.700 0.151 0.000 1.066 233 T CA -0.091 62.099 62.100 0.150 0.000 1.012 233 T CB 1.725 70.678 68.868 0.143 0.000 1.184 233 T HN 1.644 nan 8.240 nan 0.000 0.522 234 G N -0.391 108.469 108.800 0.100 0.000 2.269 234 G HA2 0.084 4.025 3.960 -0.030 0.000 0.277 234 G HA3 0.084 4.025 3.960 -0.030 0.000 0.277 234 G C 1.358 176.315 174.900 0.095 0.000 1.008 234 G CA 1.092 46.244 45.100 0.086 0.000 0.774 234 G HN 2.373 nan 8.290 nan 0.000 0.511 235 G N -0.218 108.638 108.800 0.093 0.000 2.396 235 G HA2 -0.287 3.655 3.960 -0.030 0.000 0.242 235 G HA3 -0.287 3.655 3.960 -0.030 0.000 0.242 235 G C 0.860 175.814 174.900 0.090 0.000 1.069 235 G CA 1.315 46.465 45.100 0.083 0.000 0.633 235 G HN 2.229 nan 8.290 nan 0.000 0.517 236 N N -0.414 118.353 118.700 0.111 0.000 2.193 236 N HA 0.162 4.884 4.740 -0.030 0.000 0.236 236 N C -0.394 175.179 175.510 0.106 0.000 1.347 236 N CA 0.300 53.407 53.050 0.094 0.000 0.812 236 N CB -0.329 38.209 38.487 0.085 0.000 1.297 236 N HN 0.530 nan 8.380 nan 0.000 0.499 237 H N 1.208 120.315 119.070 0.063 0.000 2.594 237 H HA 0.541 5.078 4.556 -0.030 0.000 0.304 237 H C -0.421 174.953 175.328 0.077 0.000 1.068 237 H CA -0.234 55.851 56.048 0.061 0.000 1.308 237 H CB 0.523 30.325 29.762 0.066 0.000 1.409 237 H HN 0.107 nan 8.280 nan 0.000 0.460 238 I N 4.727 125.063 120.570 -0.389 0.000 2.392 238 I HA 0.258 4.410 4.170 -0.030 0.000 0.295 238 I C -0.210 175.800 176.117 -0.178 0.000 0.985 238 I CA -0.515 60.678 61.300 -0.178 0.000 1.221 238 I CB 1.508 39.411 38.000 -0.161 0.000 1.366 238 I HN 0.579 nan 8.210 nan 0.000 0.467 239 E N 5.377 125.631 120.200 0.089 0.000 2.241 239 E HA 0.313 4.644 4.350 -0.030 0.000 0.263 239 E C -1.847 174.956 176.600 0.339 0.000 0.882 239 E CA -0.672 55.831 56.400 0.171 0.000 0.769 239 E CB 2.620 32.425 29.700 0.174 0.000 1.185 239 E HN 0.512 nan 8.360 nan 0.000 0.415 240 W N 3.785 125.158 121.300 0.122 0.000 3.405 240 W HA 0.159 4.801 4.660 -0.030 0.000 0.329 240 W C -0.618 176.005 176.519 0.174 0.000 1.142 240 W CA -0.406 57.038 57.345 0.166 0.000 1.235 240 W CB 0.988 30.541 29.460 0.155 0.000 1.341 240 W HN 0.348 nan 8.180 nan 0.000 0.481 241 E N 5.785 125.662 120.200 -0.538 0.000 2.149 241 E HA -0.324 4.007 4.350 -0.030 0.000 0.191 241 E C 0.554 176.877 176.600 -0.462 0.000 1.384 241 E CA 1.896 57.915 56.400 -0.636 0.000 0.698 241 E CB -0.977 27.987 29.700 -1.227 0.000 1.086 241 E HN 0.890 nan 8.360 nan 0.000 0.338 242 K N -3.675 116.478 120.400 -0.412 0.000 3.615 242 K HA -0.246 4.056 4.320 -0.030 0.000 0.269 242 K C 0.171 176.337 176.600 -0.723 0.000 1.107 242 K CA 1.756 57.621 56.287 -0.705 0.000 1.059 242 K CB -1.343 30.405 32.500 -1.253 0.000 1.317 242 K HN 0.274 nan 8.250 nan 0.000 0.494 243 W N 1.588 122.698 121.300 -0.316 0.000 2.237 243 W HA 0.424 5.066 4.660 -0.030 0.000 0.335 243 W C 0.634 177.140 176.519 -0.022 0.000 1.230 243 W CA -0.037 57.270 57.345 -0.062 0.000 1.253 243 W CB 1.404 30.976 29.460 0.186 0.000 1.129 243 W HN -0.012 nan 8.180 nan 0.000 0.590 244 S N 4.066 119.936 115.700 0.284 0.000 2.619 244 S HA 0.788 5.239 4.470 -0.030 0.000 0.280 244 S C -1.123 173.504 174.600 0.045 0.000 1.150 244 S CA -0.756 57.510 58.200 0.110 0.000 0.978 244 S CB 0.000 63.285 63.200 0.141 0.000 1.041 244 S HN 0.551 nan 8.310 nan 0.000 0.485 245 L N 1.189 122.313 121.223 -0.165 0.000 2.892 245 L HA 0.788 5.110 4.340 -0.030 0.000 0.269 245 L C -2.048 174.678 176.870 -0.240 0.000 1.058 245 L CA -1.069 53.676 54.840 -0.158 0.000 0.923 245 L CB 1.765 43.739 42.059 -0.142 0.000 1.518 245 L HN 0.387 nan 8.230 nan 0.000 0.402 246 D N 1.374 121.705 120.400 -0.115 0.000 2.502 246 D HA 0.454 5.075 4.640 -0.030 0.000 0.249 246 D C -0.819 175.477 176.300 -0.007 0.000 1.092 246 D CA -0.255 53.738 54.000 -0.012 0.000 0.839 246 D CB 3.218 44.059 40.800 0.068 0.000 1.264 246 D HN 0.353 nan 8.370 nan 0.000 0.511 247 V N 2.188 122.098 119.914 -0.007 0.000 2.353 247 V HA 0.470 4.572 4.120 -0.030 0.000 0.264 247 V C 0.982 177.123 176.094 0.078 0.000 1.049 247 V CA -0.353 61.936 62.300 -0.019 0.000 0.896 247 V CB 1.011 32.806 31.823 -0.048 0.000 1.025 247 V HN 0.591 nan 8.190 nan 0.000 0.475 248 G N 3.202 112.077 108.800 0.124 0.000 2.491 248 G HA2 0.699 4.641 3.960 -0.030 0.000 0.327 248 G HA3 0.699 4.641 3.960 -0.030 0.000 0.327 248 G C -1.522 173.468 174.900 0.150 0.000 1.189 248 G CA -0.474 44.741 45.100 0.192 0.000 0.956 248 G HN 0.484 nan 8.290 nan 0.000 0.491 249 F N 0.114 120.045 119.950 -0.033 0.000 2.573 249 F HA 0.497 5.006 4.527 -0.031 0.000 0.316 249 F C -1.354 174.395 175.800 -0.084 0.000 1.148 249 F CA -0.959 56.976 58.000 -0.110 0.000 0.940 249 F CB 2.483 41.403 39.000 -0.133 0.000 1.214 249 F HN 0.507 nan 8.300 nan 0.000 0.448 250 D N 3.793 123.764 120.400 -0.715 0.000 2.481 250 D HA 0.300 4.922 4.640 -0.030 0.000 0.244 250 D C 0.321 176.223 176.300 -0.663 0.000 1.057 250 D CA -0.547 53.185 54.000 -0.447 0.000 0.848 250 D CB 2.392 43.080 40.800 -0.187 0.000 1.388 250 D HN 0.389 nan 8.370 nan 0.000 0.475 251 V N 4.360 124.085 119.914 -0.315 0.000 2.594 251 V HA -0.125 3.977 4.120 -0.030 0.000 0.253 251 V C 1.928 177.940 176.094 -0.135 0.000 1.069 251 V CA 2.151 64.322 62.300 -0.216 0.000 1.082 251 V CB -0.370 31.378 31.823 -0.125 0.000 0.680 251 V HN 0.634 nan 8.190 nan 0.000 0.469 252 R N -0.576 119.907 120.500 -0.029 0.000 2.055 252 R HA -0.006 4.316 4.340 -0.030 0.000 0.221 252 R C 2.292 178.543 176.300 -0.082 0.000 1.154 252 R CA 1.452 57.533 56.100 -0.030 0.000 0.975 252 R CB -0.259 29.992 30.300 -0.081 0.000 0.869 252 R HN 0.579 nan 8.270 nan 0.000 0.437 253 E N -0.439 119.704 120.200 -0.096 0.000 2.158 253 E HA 0.101 4.432 4.350 -0.030 0.000 0.191 253 E C 0.770 177.255 176.600 -0.192 0.000 0.982 253 E CA 0.564 56.928 56.400 -0.059 0.000 0.823 253 E CB 0.308 30.011 29.700 0.005 0.000 0.766 253 E HN 0.572 nan 8.360 nan 0.000 0.468 254 G N 0.517 108.984 108.800 -0.554 0.000 2.475 254 G HA2 -0.273 3.669 3.960 -0.030 0.000 0.223 254 G HA3 -0.273 3.669 3.960 -0.030 0.000 0.223 254 G C -0.247 174.111 174.900 -0.905 0.000 1.201 254 G CA -0.377 44.094 45.100 -1.048 0.000 0.962 254 G HN 0.104 nan 8.290 nan 0.000 0.586 255 V N 0.735 120.238 119.914 -0.684 0.000 2.540 255 V HA 0.412 4.514 4.120 -0.030 0.000 0.297 255 V C 0.737 176.786 176.094 -0.074 0.000 1.024 255 V CA 0.236 62.450 62.300 -0.143 0.000 1.105 255 V CB 0.920 32.822 31.823 0.132 0.000 0.938 255 V HN 0.891 nan 8.190 nan 0.000 0.482 256 V N 6.868 126.683 119.914 -0.164 0.000 2.588 256 V HA 0.470 4.572 4.120 -0.030 0.000 0.304 256 V C -0.220 175.599 176.094 -0.459 0.000 1.042 256 V CA -0.637 61.474 62.300 -0.315 0.000 0.877 256 V CB 1.943 33.593 31.823 -0.288 0.000 0.996 256 V HN 0.615 nan 8.190 nan 0.000 0.425 257 L N 5.063 125.881 121.223 -0.676 0.000 2.295 257 L HA 0.624 4.946 4.340 -0.030 0.000 0.285 257 L C -0.368 176.112 176.870 -0.649 0.000 1.035 257 L CA -0.556 53.913 54.840 -0.618 0.000 0.806 257 L CB 0.963 42.572 42.059 -0.750 0.000 1.214 257 L HN 0.603 nan 8.230 nan 0.000 0.426 258 H N 3.540 122.433 119.070 -0.295 0.000 2.569 258 H HA 0.275 4.813 4.556 -0.030 0.000 0.357 258 H C -0.139 174.972 175.328 -0.363 0.000 1.153 258 H CA -0.701 55.137 56.048 -0.350 0.000 1.193 258 H CB 1.876 31.367 29.762 -0.451 0.000 1.602 258 H HN 0.576 nan 8.280 nan 0.000 0.523 259 N N 1.206 119.758 118.700 -0.246 0.000 2.705 259 N HA -0.205 4.517 4.740 -0.030 0.000 0.255 259 N C -0.515 174.933 175.510 -0.103 0.000 1.008 259 N CA 0.370 53.297 53.050 -0.206 0.000 0.742 259 N CB -1.236 37.088 38.487 -0.271 0.000 0.906 259 N HN 0.394 nan 8.380 nan 0.000 0.541 260 I N 0.856 121.368 120.570 -0.098 0.000 2.587 260 I HA 0.257 4.409 4.170 -0.030 0.000 0.284 260 I C 1.024 177.198 176.117 0.094 0.000 1.134 260 I CA 0.266 61.575 61.300 0.016 0.000 1.410 260 I CB 0.703 38.694 38.000 -0.016 0.000 1.392 260 I HN 0.375 nan 8.210 nan 0.000 0.545 261 A N 6.153 129.097 122.820 0.208 0.000 2.566 261 A HA 0.823 5.125 4.320 -0.030 0.000 0.292 261 A C -1.585 176.138 177.584 0.231 0.000 1.112 261 A CA -0.534 51.609 52.037 0.176 0.000 0.707 261 A CB 1.209 20.269 19.000 0.099 0.000 1.302 261 A HN 0.408 nan 8.150 nan 0.000 0.409 262 F N 0.325 120.268 119.950 -0.012 0.000 2.518 262 F HA 0.657 5.165 4.527 -0.031 0.000 0.323 262 F C 0.215 176.022 175.800 0.013 0.000 1.129 262 F CA -0.597 57.327 58.000 -0.126 0.000 0.920 262 F CB 1.861 40.713 39.000 -0.247 0.000 1.160 262 F HN 0.560 nan 8.300 nan 0.000 0.440 263 R N 4.052 124.425 120.500 -0.212 0.000 2.441 263 R HA 0.142 4.463 4.340 -0.030 0.000 0.300 263 R C -1.130 175.239 176.300 0.115 0.000 1.284 263 R CA 0.000 56.069 56.100 -0.053 0.000 1.069 263 R CB -0.639 29.571 30.300 -0.150 0.000 1.087 263 R HN 0.484 nan 8.270 nan 0.000 0.519 264 D N 3.744 124.327 120.400 0.305 0.000 2.441 264 D HA 0.333 4.954 4.640 -0.030 0.000 0.221 264 D C 0.937 177.334 176.300 0.161 0.000 1.156 264 D CA 1.091 55.303 54.000 0.353 0.000 0.896 264 D CB 0.536 41.563 40.800 0.378 0.000 1.028 264 D HN 0.654 nan 8.370 nan 0.000 0.509 265 G N 4.973 113.842 108.800 0.115 0.000 2.595 265 G HA2 -0.346 3.596 3.960 -0.030 0.000 0.297 265 G HA3 -0.346 3.596 3.960 -0.030 0.000 0.297 265 G C 0.401 175.324 174.900 0.037 0.000 1.181 265 G CA 0.538 45.674 45.100 0.060 0.000 0.963 265 G HN 0.631 nan 8.290 nan 0.000 0.541 266 D N 0.941 121.360 120.400 0.031 0.000 2.615 266 D HA 0.458 5.080 4.640 -0.030 0.000 0.236 266 D C 0.741 177.053 176.300 0.021 0.000 1.233 266 D CA 0.253 54.265 54.000 0.020 0.000 0.829 266 D CB -0.140 40.668 40.800 0.013 0.000 1.024 266 D HN 0.960 nan 8.370 nan 0.000 0.490 267 R N -0.704 119.816 120.500 0.033 0.000 2.536 267 R HA 0.374 4.695 4.340 -0.030 0.000 0.269 267 R C -1.496 174.835 176.300 0.052 0.000 1.113 267 R CA -0.891 55.228 56.100 0.032 0.000 0.948 267 R CB 0.860 31.171 30.300 0.018 0.000 1.237 267 R HN 0.006 nan 8.270 nan 0.000 0.441 268 L N 3.856 125.106 121.223 0.045 0.000 2.315 268 L HA 0.363 4.685 4.340 -0.030 0.000 0.283 268 L C -0.220 176.692 176.870 0.070 0.000 1.089 268 L CA -0.319 54.557 54.840 0.061 0.000 0.833 268 L CB 0.560 42.649 42.059 0.049 0.000 1.170 268 L HN 0.631 nan 8.230 nan 0.000 0.442 269 R N 6.347 126.922 120.500 0.126 0.000 2.265 269 R HA 0.387 4.709 4.340 -0.030 0.000 0.328 269 R C -2.379 174.013 176.300 0.154 0.000 0.969 269 R CA -1.787 54.395 56.100 0.137 0.000 0.832 269 R CB 1.221 31.633 30.300 0.187 0.000 1.139 269 R HN 0.397 nan 8.270 nan 0.000 0.457 270 P HA 0.096 nan 4.420 nan 0.000 0.272 270 P C -0.116 177.166 177.300 -0.029 0.000 1.223 270 P CA 0.046 63.132 63.100 -0.024 0.000 0.784 270 P CB 1.326 32.939 31.700 -0.145 0.000 0.923 271 I N 0.331 120.827 120.570 -0.123 0.000 3.814 271 I HA 0.242 4.394 4.170 -0.030 0.000 0.264 271 I C 0.649 176.619 176.117 -0.245 0.000 1.145 271 I CA 0.200 61.336 61.300 -0.274 0.000 1.375 271 I CB 0.415 38.151 38.000 -0.441 0.000 1.638 271 I HN 0.131 nan 8.210 nan 0.000 0.432 272 I N 1.217 121.673 120.570 -0.190 0.000 2.478 272 I HA 0.182 4.333 4.170 -0.030 0.000 0.287 272 I C 0.280 176.297 176.117 -0.166 0.000 1.042 272 I CA -0.253 60.946 61.300 -0.168 0.000 1.067 272 I CB 2.048 39.955 38.000 -0.155 0.000 1.233 272 I HN 0.024 nan 8.210 nan 0.000 0.431 273 N N 4.607 123.221 118.700 -0.143 0.000 2.270 273 N HA 0.011 4.733 4.740 -0.030 0.000 0.181 273 N C 0.372 175.815 175.510 -0.112 0.000 1.016 273 N CA 1.236 54.226 53.050 -0.100 0.000 0.870 273 N CB 0.407 38.934 38.487 0.066 0.000 0.979 273 N HN 0.562 nan 8.380 nan 0.000 0.431 274 R N -0.636 119.771 120.500 -0.156 0.000 2.536 274 R HA 0.562 4.883 4.340 -0.030 0.000 0.269 274 R C -2.129 173.995 176.300 -0.293 0.000 1.113 274 R CA -0.590 55.357 56.100 -0.255 0.000 0.948 274 R CB 1.228 31.431 30.300 -0.161 0.000 1.237 274 R HN 0.068 nan 8.270 nan 0.000 0.441 275 A N 2.245 124.811 122.820 -0.423 0.000 2.356 275 A HA 0.785 5.087 4.320 -0.030 0.000 0.310 275 A C -1.038 176.293 177.584 -0.422 0.000 1.075 275 A CA -0.329 51.465 52.037 -0.406 0.000 0.746 275 A CB 1.676 20.312 19.000 -0.607 0.000 1.221 275 A HN 0.863 nan 8.150 nan 0.000 0.443 276 S N 0.622 116.272 115.700 -0.082 0.000 2.611 276 S HA 0.631 5.083 4.470 -0.030 0.000 0.268 276 S C -1.407 173.330 174.600 0.229 0.000 1.156 276 S CA -0.623 57.636 58.200 0.098 0.000 0.817 276 S CB 0.417 63.591 63.200 -0.043 0.000 1.122 276 S HN 0.628 nan 8.310 nan 0.000 0.466 277 I N 2.211 122.948 120.570 0.279 0.000 2.282 277 I HA 0.538 4.690 4.170 -0.030 0.000 0.290 277 I C 1.242 177.480 176.117 0.202 0.000 1.090 277 I CA -0.309 61.134 61.300 0.239 0.000 1.231 277 I CB 0.756 39.003 38.000 0.411 0.000 1.434 277 I HN 0.933 nan 8.210 nan 0.000 0.487 278 A N 4.168 127.071 122.820 0.137 0.000 2.167 278 A HA 0.143 4.445 4.320 -0.030 0.000 0.214 278 A C 0.804 178.456 177.584 0.113 0.000 1.151 278 A CA 1.022 53.165 52.037 0.177 0.000 0.735 278 A CB -0.147 18.966 19.000 0.188 0.000 0.802 278 A HN 0.622 nan 8.150 nan 0.000 0.467 279 E N -2.079 118.127 120.200 0.010 0.000 2.392 279 E HA 0.530 4.862 4.350 -0.030 0.000 0.281 279 E C -1.406 175.154 176.600 -0.067 0.000 1.088 279 E CA -0.393 55.962 56.400 -0.075 0.000 0.850 279 E CB 0.778 30.271 29.700 -0.345 0.000 1.267 279 E HN 0.079 nan 8.360 nan 0.000 0.438 280 M N 3.816 123.378 119.600 -0.062 0.000 2.265 280 M HA 0.429 4.891 4.480 -0.030 0.000 0.262 280 M C -2.077 174.086 176.300 -0.228 0.000 1.026 280 M CA -0.675 54.456 55.300 -0.282 0.000 0.987 280 M CB 1.352 33.686 32.600 -0.442 0.000 1.937 280 M HN 0.482 nan 8.290 nan 0.000 0.481 281 V N 5.478 125.199 119.914 -0.321 0.000 2.769 281 V HA 0.779 4.880 4.120 -0.030 0.000 0.312 281 V C -1.360 174.504 176.094 -0.384 0.000 1.061 281 V CA -0.325 61.696 62.300 -0.465 0.000 0.931 281 V CB 2.395 33.711 31.823 -0.846 0.000 1.010 281 V HN 0.636 nan 8.190 nan 0.000 0.433 282 V N 7.916 127.651 119.914 -0.299 0.000 2.276 282 V HA 0.421 4.523 4.120 -0.030 0.000 0.268 282 V C -2.449 173.458 176.094 -0.312 0.000 1.032 282 V CA -1.312 60.820 62.300 -0.280 0.000 0.810 282 V CB 1.259 33.041 31.823 -0.069 0.000 1.060 282 V HN 0.821 nan 8.190 nan 0.000 0.446 283 P HA 0.366 nan 4.420 nan 0.000 0.290 283 P C -1.351 175.750 177.300 -0.332 0.000 1.276 283 P CA -0.378 62.556 63.100 -0.278 0.000 0.808 283 P CB 1.163 32.716 31.700 -0.245 0.000 0.966 284 Y N 0.678 120.829 120.300 -0.248 0.000 2.361 284 Y HA 0.470 5.003 4.550 -0.028 0.000 0.332 284 Y C 1.729 177.563 175.900 -0.109 0.000 1.101 284 Y CA 0.214 58.212 58.100 -0.170 0.000 1.137 284 Y CB 1.418 39.704 38.460 -0.289 0.000 1.207 284 Y HN 0.478 nan 8.280 nan 0.000 0.463 285 G N 1.321 110.156 108.800 0.059 0.000 3.820 285 G HA2 0.015 3.957 3.960 -0.030 0.000 0.293 285 G HA3 0.015 3.957 3.960 -0.030 0.000 0.293 285 G C -0.715 174.221 174.900 0.060 0.000 1.152 285 G CA -0.188 44.952 45.100 0.066 0.000 0.921 285 G HN 0.507 nan 8.290 nan 0.000 0.544 286 D N 1.125 121.545 120.400 0.033 0.000 2.317 286 D HA 0.256 4.878 4.640 -0.030 0.000 0.234 286 D C -1.123 175.158 176.300 -0.031 0.000 1.112 286 D CA -2.408 51.578 54.000 -0.023 0.000 0.840 286 D CB 2.300 43.079 40.800 -0.036 0.000 1.078 286 D HN 0.037 nan 8.370 nan 0.000 0.486 287 P HA -0.035 nan 4.420 nan 0.000 0.242 287 P C 0.319 177.615 177.300 -0.006 0.000 1.197 287 P CA -0.013 63.084 63.100 -0.004 0.000 0.765 287 P CB 0.166 31.872 31.700 0.010 0.000 0.936 288 S N 2.481 118.166 115.700 -0.026 0.000 2.533 288 S HA 0.113 4.564 4.470 -0.030 0.000 0.282 288 S C -0.885 173.721 174.600 0.009 0.000 1.304 288 S CA -1.197 56.995 58.200 -0.014 0.000 1.063 288 S CB 0.253 63.422 63.200 -0.051 0.000 0.881 288 S HN 0.019 nan 8.310 nan 0.000 0.493 289 P HA -0.135 nan 4.420 nan 0.000 0.221 289 P C 1.391 178.816 177.300 0.208 0.000 1.145 289 P CA 0.857 64.031 63.100 0.123 0.000 0.795 289 P CB -0.086 31.686 31.700 0.120 0.000 0.775 290 I N -0.234 120.417 120.570 0.135 0.000 2.394 290 I HA -0.108 4.044 4.170 -0.030 0.000 0.251 290 I C 2.134 178.396 176.117 0.242 0.000 1.136 290 I CA 1.383 62.801 61.300 0.198 0.000 1.425 290 I CB -1.061 36.962 38.000 0.038 0.000 1.079 290 I HN 0.065 nan 8.210 nan 0.000 0.425 291 R N -0.465 119.984 120.500 -0.085 0.000 2.541 291 R HA 0.101 4.423 4.340 -0.030 0.000 0.332 291 R C 1.949 177.822 176.300 -0.712 0.000 0.951 291 R CA 0.516 56.288 56.100 -0.547 0.000 1.136 291 R CB 0.243 30.327 30.300 -0.360 0.000 1.449 291 R HN 0.277 nan 8.270 nan 0.000 0.531 292 S N 0.981 116.476 115.700 -0.341 0.000 2.493 292 S HA -0.127 4.324 4.470 -0.030 0.000 0.243 292 S C 1.401 175.839 174.600 -0.270 0.000 0.991 292 S CA 0.574 58.644 58.200 -0.218 0.000 0.957 292 S CB -0.415 62.750 63.200 -0.058 0.000 0.756 292 S HN 0.628 nan 8.310 nan 0.000 0.521 293 W N 0.672 121.796 121.300 -0.294 0.000 3.197 293 W HA 0.382 5.021 4.660 -0.035 0.000 0.274 293 W C 0.496 176.953 176.519 -0.103 0.000 1.297 293 W CA -0.609 56.428 57.345 -0.514 0.000 1.662 293 W CB -0.701 28.307 29.460 -0.752 0.000 1.106 293 W HN 0.296 nan 8.180 nan 0.000 0.663 294 Q N 3.011 122.222 119.800 -0.981 0.000 2.263 294 Q HA 0.087 4.409 4.340 -0.030 0.000 0.270 294 Q C -0.770 174.871 176.000 -0.598 0.000 1.104 294 Q CA 0.754 55.902 55.803 -1.093 0.000 0.909 294 Q CB 0.071 27.968 28.738 -1.402 0.000 1.214 294 Q HN 0.015 nan 8.270 nan 0.000 0.400 295 N N 4.655 123.003 118.700 -0.586 0.000 2.572 295 N HA 0.134 4.856 4.740 -0.030 0.000 0.287 295 N C -1.951 173.396 175.510 -0.272 0.000 1.136 295 N CA -0.427 52.420 53.050 -0.339 0.000 0.900 295 N CB 1.109 39.592 38.487 -0.007 0.000 1.484 295 N HN 0.410 nan 8.380 nan 0.000 0.526 296 Y N 1.273 121.629 120.300 0.094 0.000 2.342 296 Y HA 0.427 4.958 4.550 -0.032 0.000 0.338 296 Y C -0.009 175.985 175.900 0.158 0.000 0.965 296 Y CA -0.860 57.384 58.100 0.241 0.000 1.159 296 Y CB 0.406 38.983 38.460 0.195 0.000 1.157 296 Y HN 0.336 nan 8.280 nan 0.000 0.486 297 F N 3.310 123.478 119.950 0.363 0.000 2.499 297 F HA 0.201 4.709 4.527 -0.031 0.000 0.353 297 F C 1.085 177.086 175.800 0.335 0.000 1.196 297 F CA -0.617 57.523 58.000 0.233 0.000 1.244 297 F CB 0.091 39.172 39.000 0.136 0.000 1.577 297 F HN 0.511 nan 8.300 nan 0.000 0.614 298 D N 0.557 121.207 120.400 0.415 0.000 2.158 298 D HA -0.157 4.465 4.640 -0.030 0.000 0.197 298 D C 2.055 178.583 176.300 0.380 0.000 0.995 298 D CA 1.640 55.892 54.000 0.421 0.000 0.846 298 D CB 0.042 41.009 40.800 0.278 0.000 0.941 298 D HN 0.372 nan 8.370 nan 0.000 0.456 299 T N -0.651 114.057 114.554 0.257 0.000 2.781 299 T HA 0.028 4.359 4.350 -0.030 0.000 0.252 299 T C 1.971 176.732 174.700 0.101 0.000 1.039 299 T CA 1.262 63.463 62.100 0.168 0.000 1.147 299 T CB -0.572 68.361 68.868 0.108 0.000 0.865 299 T HN 0.217 nan 8.240 nan 0.000 0.423 300 G N 1.076 109.933 108.800 0.096 0.000 2.408 300 G HA2 -0.136 3.806 3.960 -0.030 0.000 0.217 300 G HA3 -0.136 3.806 3.960 -0.030 0.000 0.217 300 G C 1.447 176.329 174.900 -0.030 0.000 1.150 300 G CA 0.603 45.670 45.100 -0.056 0.000 0.776 300 G HN 0.507 nan 8.290 nan 0.000 0.542 301 E N -1.038 119.219 120.200 0.095 0.000 2.127 301 E HA 0.067 4.399 4.350 -0.030 0.000 0.191 301 E C 1.880 178.431 176.600 -0.082 0.000 0.964 301 E CA 0.470 56.849 56.400 -0.036 0.000 0.832 301 E CB 0.032 29.697 29.700 -0.058 0.000 0.790 301 E HN 0.585 nan 8.360 nan 0.000 0.465 302 Y N 0.013 120.458 120.300 0.242 0.000 2.524 302 Y HA 0.277 4.808 4.550 -0.031 0.000 0.270 302 Y C 0.093 176.175 175.900 0.303 0.000 1.094 302 Y CA -0.027 58.278 58.100 0.342 0.000 1.276 302 Y CB 0.590 39.312 38.460 0.437 0.000 1.130 302 Y HN -0.159 nan 8.280 nan 0.000 0.536 303 L N 0.840 122.262 121.223 0.331 0.000 2.805 303 L HA -0.190 4.131 4.340 -0.030 0.000 0.688 303 L C 0.983 177.969 176.870 0.194 0.000 1.050 303 L CA -0.035 54.909 54.840 0.172 0.000 1.362 303 L CB -1.506 40.608 42.059 0.092 0.000 1.968 303 L HN 0.163 nan 8.230 nan 0.000 0.923 304 V N -0.557 119.484 119.914 0.211 0.000 2.594 304 V HA -0.098 4.004 4.120 -0.030 0.000 0.253 304 V C 2.157 178.362 176.094 0.185 0.000 1.069 304 V CA 2.135 64.590 62.300 0.258 0.000 1.082 304 V CB -0.461 31.480 31.823 0.197 0.000 0.680 304 V HN 0.845 nan 8.190 nan 0.000 0.469 305 G N 1.063 109.858 108.800 -0.008 0.000 2.422 305 G HA2 -0.292 3.649 3.960 -0.030 0.000 0.218 305 G HA3 -0.292 3.649 3.960 -0.030 0.000 0.218 305 G C 1.575 176.525 174.900 0.083 0.000 1.146 305 G CA 0.956 45.986 45.100 -0.116 0.000 0.769 305 G HN 0.790 nan 8.290 nan 0.000 0.547 306 Q N -0.896 118.850 119.800 -0.090 0.000 2.291 306 Q HA -0.076 4.245 4.340 -0.030 0.000 0.205 306 Q C 1.114 176.953 176.000 -0.268 0.000 0.970 306 Q CA 0.996 56.661 55.803 -0.230 0.000 0.876 306 Q CB -0.308 28.147 28.738 -0.472 0.000 0.935 306 Q HN 0.521 nan 8.270 nan 0.000 0.455 307 Y N 0.710 121.106 120.300 0.160 0.000 2.571 307 Y HA 0.492 5.025 4.550 -0.029 0.000 0.275 307 Y C 0.590 176.611 175.900 0.201 0.000 1.179 307 Y CA -0.805 57.382 58.100 0.146 0.000 1.242 307 Y CB -0.088 38.456 38.460 0.141 0.000 1.126 307 Y HN 0.171 nan 8.280 nan 0.000 0.524 308 A N 0.999 124.025 122.820 0.345 0.000 2.511 308 A HA 0.152 4.454 4.320 -0.030 0.000 0.242 308 A C 0.318 178.061 177.584 0.266 0.000 1.069 308 A CA -0.347 51.922 52.037 0.388 0.000 0.763 308 A CB 0.001 19.237 19.000 0.393 0.000 1.001 308 A HN 0.340 nan 8.150 nan 0.000 0.498 309 N N 0.930 119.794 118.700 0.273 0.000 2.483 309 N HA 0.277 4.998 4.740 -0.030 0.000 0.269 309 N C -0.415 175.169 175.510 0.123 0.000 1.209 309 N CA -0.174 52.983 53.050 0.178 0.000 0.969 309 N CB 0.826 39.413 38.487 0.166 0.000 1.173 309 N HN 0.488 nan 8.380 nan 0.000 0.475 310 S N 0.843 116.581 115.700 0.062 0.000 2.439 310 S HA 0.309 4.761 4.470 -0.030 0.000 0.282 310 S C 0.265 174.874 174.600 0.015 0.000 1.170 310 S CA -0.645 57.560 58.200 0.010 0.000 1.054 310 S CB -0.098 63.085 63.200 -0.028 0.000 0.956 310 S HN 0.233 nan 8.310 nan 0.000 0.490 311 L N 3.911 125.159 121.223 0.041 0.000 2.315 311 L HA 0.297 4.619 4.340 -0.030 0.000 0.283 311 L C 0.526 177.421 176.870 0.042 0.000 1.089 311 L CA -0.508 54.387 54.840 0.091 0.000 0.833 311 L CB 0.259 42.458 42.059 0.233 0.000 1.170 311 L HN 0.427 nan 8.230 nan 0.000 0.442 312 E N 3.205 123.424 120.200 0.032 0.000 2.289 312 E HA 0.189 4.520 4.350 -0.030 0.000 0.278 312 E C -0.373 176.280 176.600 0.089 0.000 1.032 312 E CA -0.832 55.580 56.400 0.019 0.000 0.854 312 E CB 1.969 31.669 29.700 0.000 0.000 1.046 312 E HN 0.276 nan 8.360 nan 0.000 0.409 313 L N 1.930 123.223 121.223 0.117 0.000 2.453 313 L HA 0.243 4.564 4.340 -0.030 0.000 0.272 313 L C 1.325 178.237 176.870 0.070 0.000 1.182 313 L CA 1.687 56.620 54.840 0.156 0.000 0.858 313 L CB 0.272 42.440 42.059 0.181 0.000 1.120 313 L HN 0.790 nan 8.230 nan 0.000 0.474 314 G N 2.115 110.943 108.800 0.048 0.000 2.253 314 G HA2 -0.321 3.621 3.960 -0.030 0.000 0.251 314 G HA3 -0.321 3.621 3.960 -0.030 0.000 0.251 314 G C 0.816 175.726 174.900 0.016 0.000 0.998 314 G CA 0.397 45.511 45.100 0.024 0.000 0.621 314 G HN 0.777 nan 8.290 nan 0.000 0.524 315 C N -0.614 118.698 119.300 0.019 0.000 2.341 315 C HA 0.331 4.773 4.460 -0.030 0.000 0.372 315 C C 2.173 177.163 174.990 -0.001 0.000 1.430 315 C CA 1.227 60.247 59.018 0.002 0.000 2.316 315 C CB -0.290 27.447 27.740 -0.005 0.000 2.416 315 C HN 0.507 nan 8.230 nan 0.000 0.583 316 D N -0.019 120.391 120.400 0.017 0.000 2.269 316 D HA 0.067 4.688 4.640 -0.030 0.000 0.220 316 D C 0.160 176.501 176.300 0.067 0.000 0.962 316 D CA 1.100 55.116 54.000 0.028 0.000 0.884 316 D CB 0.184 41.008 40.800 0.041 0.000 1.023 316 D HN 0.391 nan 8.370 nan 0.000 0.484 317 c N 1.997 120.627 118.600 0.051 0.000 2.346 317 c HA 0.526 5.078 4.570 -0.030 0.000 0.326 317 c C -0.280 173.751 174.090 -0.099 0.000 1.224 317 c CA -1.145 55.155 56.329 -0.048 0.000 1.408 317 c CB 0.780 43.232 42.510 -0.095 0.000 2.089 317 c HN 0.181 nan 8.230 nan 0.000 0.456 318 L N 4.084 125.232 121.223 -0.125 0.000 2.334 318 L HA 0.975 5.296 4.340 -0.030 0.000 0.275 318 L C 0.479 177.274 176.870 -0.125 0.000 1.036 318 L CA 1.655 56.446 54.840 -0.082 0.000 0.807 318 L CB 0.903 42.949 42.059 -0.021 0.000 1.231 318 L HN 1.142 nan 8.230 nan 0.000 0.438 319 G N 3.195 111.960 108.800 -0.059 0.000 2.428 319 G HA2 -0.152 3.790 3.960 -0.030 0.000 0.202 319 G HA3 -0.152 3.790 3.960 -0.030 0.000 0.202 319 G C -1.071 173.812 174.900 -0.028 0.000 1.247 319 G CA -0.185 44.900 45.100 -0.025 0.000 1.020 319 G HN 0.825 nan 8.290 nan 0.000 0.529 320 D N 0.798 121.207 120.400 0.015 0.000 2.422 320 D HA 0.479 5.101 4.640 -0.030 0.000 0.227 320 D C -0.219 176.096 176.300 0.024 0.000 1.190 320 D CA -0.038 53.975 54.000 0.021 0.000 0.905 320 D CB 0.239 41.062 40.800 0.038 0.000 1.034 320 D HN 0.356 nan 8.370 nan 0.000 0.507 321 I N 2.297 122.825 120.570 -0.070 0.000 2.377 321 I HA 0.174 4.326 4.170 -0.030 0.000 0.293 321 I C 0.626 176.628 176.117 -0.193 0.000 0.987 321 I CA -0.359 60.826 61.300 -0.191 0.000 1.185 321 I CB 2.094 39.782 38.000 -0.520 0.000 1.341 321 I HN 0.072 nan 8.210 nan 0.000 0.455 322 T N 5.789 120.309 114.554 -0.057 0.000 2.758 322 T HA 0.504 4.836 4.350 -0.030 0.000 0.285 322 T C -0.623 174.032 174.700 -0.075 0.000 0.981 322 T CA -0.248 61.881 62.100 0.048 0.000 0.965 322 T CB 0.186 69.237 68.868 0.306 0.000 0.927 322 T HN 0.138 nan 8.240 nan 0.000 0.448 323 Y N 1.955 122.304 120.300 0.082 0.000 2.488 323 Y HA 0.702 5.233 4.550 -0.031 0.000 0.325 323 Y C 0.254 176.168 175.900 0.023 0.000 1.204 323 Y CA -1.279 56.846 58.100 0.043 0.000 1.229 323 Y CB 1.041 39.515 38.460 0.023 0.000 1.274 323 Y HN 0.342 nan 8.280 nan 0.000 0.493 324 L N 0.789 122.127 121.223 0.193 0.000 2.431 324 L HA 0.480 4.802 4.340 -0.030 0.000 0.266 324 L C -0.919 175.950 176.870 -0.003 0.000 0.978 324 L CA -0.658 54.221 54.840 0.064 0.000 0.822 324 L CB 2.225 44.292 42.059 0.014 0.000 1.310 324 L HN 0.507 nan 8.230 nan 0.000 0.409 325 S N 3.264 118.936 115.700 -0.046 0.000 2.406 325 S HA 0.350 4.801 4.470 -0.030 0.000 0.224 325 S C -2.373 172.140 174.600 -0.145 0.000 1.426 325 S CA -1.023 57.114 58.200 -0.105 0.000 1.179 325 S CB 0.808 63.965 63.200 -0.071 0.000 1.042 325 S HN 0.373 nan 8.310 nan 0.000 0.479 326 P HA 0.201 nan 4.420 nan 0.000 0.269 326 P C -0.711 176.490 177.300 -0.165 0.000 1.215 326 P CA -0.268 62.664 63.100 -0.279 0.000 0.780 326 P CB 0.744 32.004 31.700 -0.734 0.000 0.898 327 V N 3.638 123.523 119.914 -0.047 0.000 2.513 327 V HA 0.414 4.516 4.120 -0.030 0.000 0.299 327 V C 0.622 176.740 176.094 0.039 0.000 1.035 327 V CA -0.451 61.843 62.300 -0.011 0.000 0.889 327 V CB 1.105 32.930 31.823 0.004 0.000 0.988 327 V HN 0.521 nan 8.190 nan 0.000 0.440 328 I N 1.270 121.854 120.570 0.024 0.000 3.145 328 I HA 0.804 4.956 4.170 -0.030 0.000 0.313 328 I C -0.140 175.968 176.117 -0.015 0.000 1.122 328 I CA -0.838 60.477 61.300 0.024 0.000 0.987 328 I CB 2.033 40.057 38.000 0.040 0.000 1.236 328 I HN 0.454 nan 8.210 nan 0.000 0.453 329 S N 0.847 116.521 115.700 -0.045 0.000 2.616 329 S HA 0.574 5.026 4.470 -0.030 0.000 0.277 329 S C -0.561 174.002 174.600 -0.061 0.000 1.234 329 S CA -0.465 57.703 58.200 -0.054 0.000 1.028 329 S CB 0.345 63.501 63.200 -0.074 0.000 0.988 329 S HN 0.883 nan 8.310 nan 0.000 0.522 330 D N 2.192 122.563 120.400 -0.047 0.000 2.506 330 D HA 0.447 5.069 4.640 -0.030 0.000 0.272 330 D C 1.208 177.424 176.300 -0.141 0.000 1.214 330 D CA -0.187 53.768 54.000 -0.075 0.000 1.067 330 D CB 0.192 40.977 40.800 -0.025 0.000 1.117 330 D HN 0.480 nan 8.370 nan 0.000 0.578 331 A N -0.990 121.655 122.820 -0.292 0.000 2.070 331 A HA -0.058 4.243 4.320 -0.030 0.000 0.220 331 A C 1.478 178.764 177.584 -0.498 0.000 1.159 331 A CA 0.911 52.674 52.037 -0.456 0.000 0.656 331 A CB -0.880 17.703 19.000 -0.695 0.000 0.800 331 A HN 0.450 nan 8.150 nan 0.000 0.453 332 F N -1.510 118.453 119.950 0.022 0.000 2.695 332 F HA 0.415 4.923 4.527 -0.031 0.000 0.303 332 F C 1.737 177.538 175.800 0.001 0.000 1.091 332 F CA 0.034 58.044 58.000 0.016 0.000 1.300 332 F CB 0.049 39.057 39.000 0.013 0.000 1.071 332 F HN 0.304 nan 8.300 nan 0.000 0.578 333 G N 0.122 108.975 108.800 0.089 0.000 2.175 333 G HA2 -0.256 3.686 3.960 -0.030 0.000 0.244 333 G HA3 -0.256 3.686 3.960 -0.030 0.000 0.244 333 G C 0.090 175.006 174.900 0.026 0.000 0.982 333 G CA -0.440 44.683 45.100 0.039 0.000 0.641 333 G HN 0.272 nan 8.290 nan 0.000 0.527 334 N N 2.023 120.759 118.700 0.059 0.000 2.529 334 N HA 0.423 5.145 4.740 -0.030 0.000 0.278 334 N C -2.529 172.986 175.510 0.008 0.000 1.146 334 N CA -1.008 52.065 53.050 0.038 0.000 0.980 334 N CB 1.621 40.150 38.487 0.071 0.000 1.124 334 N HN 0.214 nan 8.380 nan 0.000 0.458 335 P HA 0.204 nan 4.420 nan 0.000 0.281 335 P C -0.660 176.636 177.300 -0.006 0.000 1.252 335 P CA -0.133 62.958 63.100 -0.015 0.000 0.778 335 P CB 1.208 32.895 31.700 -0.022 0.000 0.895 336 R N 2.205 122.699 120.500 -0.010 0.000 2.513 336 R HA 0.266 4.588 4.340 -0.030 0.000 0.301 336 R C -0.338 175.950 176.300 -0.020 0.000 0.968 336 R CA -0.639 55.455 56.100 -0.010 0.000 0.872 336 R CB 1.444 31.739 30.300 -0.009 0.000 1.177 336 R HN 0.491 nan 8.270 nan 0.000 0.444 337 E N 5.109 125.294 120.200 -0.025 0.000 2.283 337 E HA 0.165 4.497 4.350 -0.030 0.000 0.278 337 E C -0.688 175.879 176.600 -0.056 0.000 1.027 337 E CA -0.471 55.904 56.400 -0.043 0.000 0.843 337 E CB 0.929 30.606 29.700 -0.039 0.000 1.062 337 E HN 0.556 nan 8.360 nan 0.000 0.401 338 I N 5.577 126.090 120.570 -0.095 0.000 2.316 338 I HA 0.194 4.346 4.170 -0.030 0.000 0.286 338 I C 0.584 176.632 176.117 -0.115 0.000 1.107 338 I CA -0.455 60.781 61.300 -0.106 0.000 1.219 338 I CB 0.426 38.319 38.000 -0.178 0.000 1.455 338 I HN 0.397 nan 8.210 nan 0.000 0.498 339 R N 6.595 127.044 120.500 -0.086 0.000 2.480 339 R HA -0.040 4.282 4.340 -0.030 0.000 0.303 339 R C 0.172 176.393 176.300 -0.131 0.000 0.985 339 R CA 0.281 56.320 56.100 -0.102 0.000 1.051 339 R CB 0.200 30.444 30.300 -0.092 0.000 0.935 339 R HN 0.614 nan 8.270 nan 0.000 0.410 340 N N 2.619 121.224 118.700 -0.158 0.000 2.714 340 N HA -0.179 4.542 4.740 -0.030 0.000 0.252 340 N C 0.515 176.016 175.510 -0.016 0.000 1.014 340 N CA 1.129 54.062 53.050 -0.197 0.000 0.735 340 N CB -1.122 36.975 38.487 -0.650 0.000 0.924 340 N HN 0.899 nan 8.380 nan 0.000 0.540 341 G N -1.125 107.656 108.800 -0.032 0.000 2.623 341 G HA2 0.148 4.090 3.960 -0.030 0.000 0.214 341 G HA3 0.148 4.090 3.960 -0.030 0.000 0.214 341 G C 0.460 175.397 174.900 0.062 0.000 1.138 341 G CA 0.355 45.443 45.100 -0.019 0.000 0.794 341 G HN 0.352 nan 8.290 nan 0.000 0.535 342 I N 0.857 121.474 120.570 0.079 0.000 2.466 342 I HA 0.353 4.505 4.170 -0.030 0.000 0.289 342 I C -0.666 175.548 176.117 0.161 0.000 1.026 342 I CA -1.542 59.826 61.300 0.113 0.000 1.078 342 I CB 0.870 38.880 38.000 0.016 0.000 1.249 342 I HN -0.204 nan 8.210 nan 0.000 0.429 343 c N 7.192 125.866 118.600 0.123 0.000 2.341 343 c HA 0.711 5.262 4.570 -0.030 0.000 0.338 343 c C 0.330 174.422 174.090 0.003 0.000 1.257 343 c CA -0.515 55.821 56.329 0.012 0.000 1.883 343 c CB 0.611 43.151 42.510 0.050 0.000 2.334 343 c HN 0.666 nan 8.230 nan 0.000 0.524 344 M N 5.829 125.396 119.600 -0.055 0.000 2.267 344 M HA 0.508 4.970 4.480 -0.030 0.000 0.289 344 M C -0.667 175.600 176.300 -0.053 0.000 1.043 344 M CA -0.150 55.048 55.300 -0.170 0.000 0.928 344 M CB 1.886 34.306 32.600 -0.301 0.000 1.613 344 M HN 0.960 nan 8.290 nan 0.000 0.450 345 H N 0.904 119.768 119.070 -0.345 0.000 2.950 345 H HA 0.452 4.990 4.556 -0.031 0.000 0.307 345 H C -2.097 173.112 175.328 -0.198 0.000 1.403 345 H CA -1.044 54.956 56.048 -0.081 0.000 1.145 345 H CB 1.022 30.784 29.762 0.000 0.000 1.844 345 H HN 0.743 nan 8.280 nan 0.000 0.515 346 E N 1.009 121.213 120.200 0.008 0.000 2.207 346 E HA 0.530 4.862 4.350 -0.030 0.000 0.270 346 E C -0.885 175.740 176.600 0.041 0.000 0.927 346 E CA -0.934 55.379 56.400 -0.145 0.000 0.799 346 E CB 2.794 32.562 29.700 0.114 0.000 1.172 346 E HN 0.711 nan 8.360 nan 0.000 0.404 347 E N 1.860 122.059 120.200 -0.003 0.000 2.367 347 E HA 0.262 4.594 4.350 -0.030 0.000 0.273 347 E C -1.393 175.319 176.600 0.188 0.000 0.903 347 E CA -1.026 55.450 56.400 0.126 0.000 0.764 347 E CB 1.587 31.367 29.700 0.133 0.000 1.252 347 E HN 0.528 nan 8.360 nan 0.000 0.446 348 D N 1.337 121.864 120.400 0.212 0.000 2.414 348 D HA -0.045 4.577 4.640 -0.030 0.000 0.242 348 D C -0.967 175.545 176.300 0.354 0.000 1.129 348 D CA 0.069 54.207 54.000 0.230 0.000 0.885 348 D CB 0.552 41.438 40.800 0.143 0.000 1.198 348 D HN 0.512 nan 8.370 nan 0.000 0.437 349 W N 5.888 127.229 121.300 0.067 0.000 1.380 349 W HA 0.371 5.013 4.660 -0.031 0.000 0.298 349 W C 0.316 176.867 176.519 0.054 0.000 0.837 349 W CA 0.007 57.391 57.345 0.064 0.000 2.343 349 W CB 0.129 29.671 29.460 0.137 0.000 2.070 349 W HN 0.846 nan 8.180 nan 0.000 0.500 350 G N 1.976 110.724 108.800 -0.086 0.000 2.575 350 G HA2 -0.340 3.602 3.960 -0.030 0.000 0.267 350 G HA3 -0.340 3.602 3.960 -0.030 0.000 0.267 350 G C -0.301 174.584 174.900 -0.024 0.000 1.264 350 G CA -0.048 44.977 45.100 -0.125 0.000 0.935 350 G HN 0.102 nan 8.290 nan 0.000 0.568 351 I N 1.144 121.688 120.570 -0.044 0.000 2.529 351 I HA 0.221 4.373 4.170 -0.030 0.000 0.284 351 I C 1.560 177.703 176.117 0.043 0.000 1.082 351 I CA -0.058 61.241 61.300 -0.001 0.000 1.406 351 I CB 0.901 38.892 38.000 -0.015 0.000 1.405 351 I HN 0.623 nan 8.210 nan 0.000 0.548 352 L N 6.267 127.532 121.223 0.069 0.000 2.269 352 L HA 0.489 4.811 4.340 -0.030 0.000 0.200 352 L C 0.583 177.510 176.870 0.094 0.000 1.069 352 L CA 0.960 55.861 54.840 0.102 0.000 0.804 352 L CB 0.152 42.281 42.059 0.117 0.000 0.987 352 L HN 0.703 nan 8.230 nan 0.000 0.468 353 A N -0.413 122.472 122.820 0.108 0.000 2.566 353 A HA 0.661 4.962 4.320 -0.030 0.000 0.297 353 A C -1.130 176.573 177.584 0.197 0.000 1.059 353 A CA -0.590 51.541 52.037 0.158 0.000 0.691 353 A CB 1.151 20.291 19.000 0.233 0.000 1.282 353 A HN 0.040 nan 8.150 nan 0.000 0.401 354 K N 0.936 121.456 120.400 0.200 0.000 2.557 354 K HA 0.578 4.880 4.320 -0.030 0.000 0.257 354 K C -2.206 174.543 176.600 0.250 0.000 0.933 354 K CA -0.518 55.899 56.287 0.216 0.000 0.820 354 K CB 1.753 34.314 32.500 0.101 0.000 1.330 354 K HN 1.080 nan 8.250 nan 0.000 0.432 355 H N 0.276 119.424 119.070 0.131 0.000 3.129 355 H HA 0.365 4.903 4.556 -0.031 0.000 0.342 355 H C -1.954 173.403 175.328 0.048 0.000 1.092 355 H CA -0.386 55.692 56.048 0.049 0.000 1.310 355 H CB 1.829 31.591 29.762 -0.000 0.000 1.932 355 H HN 0.416 nan 8.280 nan 0.000 0.507 356 S N 4.092 119.469 115.700 -0.538 0.000 2.520 356 S HA 0.174 4.625 4.470 -0.030 0.000 0.324 356 S C -0.730 173.414 174.600 -0.759 0.000 1.069 356 S CA -0.687 57.247 58.200 -0.443 0.000 1.121 356 S CB 0.549 63.622 63.200 -0.212 0.000 0.971 356 S HN 0.670 nan 8.310 nan 0.000 0.463 357 D N 2.362 122.371 120.400 -0.652 0.000 2.277 357 D HA 0.244 4.865 4.640 -0.030 0.000 0.249 357 D C 1.521 177.687 176.300 -0.224 0.000 1.134 357 D CA -0.581 53.170 54.000 -0.416 0.000 0.863 357 D CB 0.740 41.476 40.800 -0.106 0.000 1.143 357 D HN 0.502 nan 8.370 nan 0.000 0.458 358 L N 1.865 122.910 121.223 -0.297 0.000 2.275 358 L HA 0.094 4.416 4.340 -0.030 0.000 0.215 358 L C 0.853 177.636 176.870 -0.146 0.000 1.119 358 L CA 0.466 55.129 54.840 -0.295 0.000 0.790 358 L CB -0.118 41.651 42.059 -0.483 0.000 0.919 358 L HN 0.439 nan 8.230 nan 0.000 0.443 359 W N 0.867 122.169 121.300 0.004 0.000 2.699 359 W HA 0.202 4.844 4.660 -0.030 0.000 0.265 359 W C 2.939 179.458 176.519 0.001 0.000 1.210 359 W CA 0.722 58.071 57.345 0.006 0.000 1.414 359 W CB -0.805 28.664 29.460 0.014 0.000 1.043 359 W HN 0.380 nan 8.180 nan 0.000 0.599 360 S N -0.414 115.417 115.700 0.218 0.000 2.478 360 S HA 0.237 4.689 4.470 -0.030 0.000 0.222 360 S C 1.821 176.463 174.600 0.069 0.000 1.008 360 S CA 1.074 59.349 58.200 0.126 0.000 0.928 360 S CB -0.172 63.092 63.200 0.106 0.000 0.781 360 S HN 0.372 nan 8.310 nan 0.000 0.518 361 G N 1.144 109.968 108.800 0.039 0.000 2.184 361 G HA2 -0.250 3.692 3.960 -0.030 0.000 0.264 361 G HA3 -0.250 3.692 3.960 -0.030 0.000 0.264 361 G C 0.050 174.948 174.900 -0.004 0.000 0.975 361 G CA 0.385 45.491 45.100 0.010 0.000 0.642 361 G HN 0.613 nan 8.290 nan 0.000 0.536 362 I N 1.389 121.959 120.570 -0.000 0.000 2.441 362 I HA 0.245 4.396 4.170 -0.030 0.000 0.287 362 I C -0.323 175.785 176.117 -0.014 0.000 1.049 362 I CA -0.627 60.680 61.300 0.012 0.000 1.381 362 I CB 0.830 38.854 38.000 0.040 0.000 1.409 362 I HN -0.016 nan 8.210 nan 0.000 0.523 363 N N 6.519 125.227 118.700 0.014 0.000 2.417 363 N HA 0.296 5.017 4.740 -0.030 0.000 0.274 363 N C -1.306 174.267 175.510 0.104 0.000 0.987 363 N CA -0.439 52.617 53.050 0.010 0.000 0.912 363 N CB 1.846 40.323 38.487 -0.016 0.000 1.177 363 N HN 0.451 nan 8.380 nan 0.000 0.490 364 Y N 1.110 121.392 120.300 -0.030 0.000 2.425 364 Y HA 0.513 5.045 4.550 -0.031 0.000 0.344 364 Y C -0.933 174.974 175.900 0.011 0.000 0.969 364 Y CA -0.288 57.814 58.100 0.003 0.000 1.052 364 Y CB 1.667 40.145 38.460 0.029 0.000 1.215 364 Y HN 0.333 nan 8.280 nan 0.000 0.451 365 T N 6.744 121.121 114.554 -0.295 0.000 2.993 365 T HA 0.574 4.906 4.350 -0.030 0.000 0.312 365 T C -1.387 173.089 174.700 -0.373 0.000 1.115 365 T CA -1.011 60.963 62.100 -0.210 0.000 1.027 365 T CB 1.274 70.085 68.868 -0.095 0.000 1.116 365 T HN 0.420 nan 8.240 nan 0.000 0.464 366 R N 1.810 122.175 120.500 -0.226 0.000 2.673 366 R HA 0.549 4.871 4.340 -0.030 0.000 0.281 366 R C -0.726 175.553 176.300 -0.036 0.000 0.991 366 R CA -0.986 55.016 56.100 -0.164 0.000 0.896 366 R CB 1.885 32.096 30.300 -0.148 0.000 1.201 366 R HN 0.444 nan 8.270 nan 0.000 0.457 367 R N 1.367 121.862 120.500 -0.009 0.000 2.457 367 R HA 0.334 4.656 4.340 -0.030 0.000 0.284 367 R C 0.237 176.598 176.300 0.101 0.000 1.024 367 R CA -0.803 55.322 56.100 0.042 0.000 1.025 367 R CB 0.716 31.042 30.300 0.043 0.000 1.063 367 R HN 0.458 nan 8.270 nan 0.000 0.493 368 N N 1.009 119.805 118.700 0.159 0.000 2.472 368 N HA 0.404 5.125 4.740 -0.030 0.000 0.289 368 N C -0.884 174.825 175.510 0.331 0.000 1.156 368 N CA -0.382 52.824 53.050 0.260 0.000 0.940 368 N CB 1.193 39.878 38.487 0.330 0.000 1.200 368 N HN 0.362 nan 8.380 nan 0.000 0.511 369 R N 0.175 120.914 120.500 0.397 0.000 2.739 369 R HA 0.513 4.835 4.340 -0.030 0.000 0.271 369 R C -0.841 175.705 176.300 0.410 0.000 1.010 369 R CA -0.915 55.435 56.100 0.418 0.000 0.897 369 R CB 2.406 32.990 30.300 0.474 0.000 1.236 369 R HN 0.652 nan 8.270 nan 0.000 0.466 370 R N 1.541 122.092 120.500 0.085 0.000 2.621 370 R HA 0.455 4.777 4.340 -0.030 0.000 0.284 370 R C -1.343 174.497 176.300 -0.767 0.000 0.998 370 R CA -0.933 54.903 56.100 -0.441 0.000 0.895 370 R CB 1.858 31.517 30.300 -1.068 0.000 1.195 370 R HN 0.489 nan 8.270 nan 0.000 0.450 371 M N 3.307 122.127 119.600 -1.300 0.000 2.188 371 M HA 0.302 4.764 4.480 -0.030 0.000 0.357 371 M C -1.541 174.255 176.300 -0.841 0.000 1.204 371 M CA -0.471 53.961 55.300 -1.446 0.000 1.095 371 M CB 1.512 33.025 32.600 -1.813 0.000 1.604 371 M HN 0.476 nan 8.290 nan 0.000 0.464 372 V N 6.732 126.197 119.914 -0.749 0.000 2.495 372 V HA 0.580 4.681 4.120 -0.030 0.000 0.298 372 V C -0.592 175.260 176.094 -0.403 0.000 1.031 372 V CA -0.709 61.300 62.300 -0.484 0.000 0.871 372 V CB 1.666 33.171 31.823 -0.531 0.000 0.988 372 V HN 0.652 nan 8.190 nan 0.000 0.432 373 I N 4.670 125.094 120.570 -0.243 0.000 2.439 373 I HA 0.607 4.759 4.170 -0.030 0.000 0.283 373 I C 0.088 176.199 176.117 -0.011 0.000 1.023 373 I CA 0.058 61.279 61.300 -0.131 0.000 1.100 373 I CB 1.488 39.413 38.000 -0.125 0.000 1.238 373 I HN 0.831 nan 8.210 nan 0.000 0.445 374 S N 6.114 121.814 115.700 -0.000 0.000 2.685 374 S HA 0.933 5.385 4.470 -0.030 0.000 0.282 374 S C -0.911 173.775 174.600 0.143 0.000 1.159 374 S CA -0.640 57.518 58.200 -0.070 0.000 0.833 374 S CB 3.093 65.953 63.200 -0.566 0.000 1.151 374 S HN 0.457 nan 8.310 nan 0.000 0.485 375 F N -1.539 118.325 119.950 -0.145 0.000 2.713 375 F HA 0.876 5.385 4.527 -0.031 0.000 0.311 375 F C -2.333 173.484 175.800 0.028 0.000 1.141 375 F CA -1.677 56.331 58.000 0.014 0.000 0.939 375 F CB 0.891 39.947 39.000 0.095 0.000 1.325 375 F HN 0.623 nan 8.300 nan 0.000 0.453 376 F N 1.101 121.025 119.950 -0.044 0.000 2.547 376 F HA 0.671 5.179 4.527 -0.031 0.000 0.316 376 F C -0.176 175.676 175.800 0.086 0.000 1.121 376 F CA -0.356 57.595 58.000 -0.081 0.000 0.911 376 F CB 2.205 41.219 39.000 0.023 0.000 1.179 376 F HN 0.903 nan 8.300 nan 0.000 0.443 377 T N 2.194 116.880 114.554 0.220 0.000 2.930 377 T HA 0.729 5.061 4.350 -0.030 0.000 0.290 377 T C -1.129 173.779 174.700 0.346 0.000 1.052 377 T CA -0.295 62.010 62.100 0.342 0.000 1.017 377 T CB 1.477 70.546 68.868 0.335 0.000 1.137 377 T HN 0.563 nan 8.240 nan 0.000 0.511 378 T N 3.640 118.375 114.554 0.302 0.000 2.879 378 T HA 0.567 4.899 4.350 -0.030 0.000 0.290 378 T C -0.979 173.775 174.700 0.089 0.000 0.993 378 T CA -0.566 61.636 62.100 0.170 0.000 0.975 378 T CB 0.665 69.602 68.868 0.114 0.000 0.981 378 T HN 0.432 nan 8.240 nan 0.000 0.439 379 I N 3.564 124.157 120.570 0.038 0.000 2.537 379 I HA 0.433 4.584 4.170 -0.030 0.000 0.276 379 I C 1.205 177.253 176.117 -0.115 0.000 1.063 379 I CA -0.073 61.193 61.300 -0.057 0.000 1.144 379 I CB -0.046 37.983 38.000 0.049 0.000 1.252 379 I HN 0.966 nan 8.210 nan 0.000 0.480 380 G N 7.063 115.827 108.800 -0.061 0.000 2.574 380 G HA2 -0.303 3.639 3.960 -0.030 0.000 0.301 380 G HA3 -0.303 3.639 3.960 -0.030 0.000 0.301 380 G C 0.388 175.253 174.900 -0.057 0.000 1.166 380 G CA 0.509 45.631 45.100 0.037 0.000 0.971 380 G HN 0.695 nan 8.290 nan 0.000 0.542 384 Y N 0.381 120.730 120.300 0.082 0.000 2.391 384 Y HA 0.694 5.226 4.550 -0.030 0.000 0.341 384 Y C 0.767 176.106 175.900 -0.936 0.000 0.965 384 Y CA -1.081 56.903 58.100 -0.193 0.000 1.067 384 Y CB 2.477 41.075 38.460 0.231 0.000 1.199 384 Y HN 0.442 nan 8.280 nan 0.000 0.450 385 G N 2.529 110.668 108.800 -1.101 0.000 2.335 385 G HA2 0.556 4.498 3.960 -0.030 0.000 0.316 385 G HA3 0.556 4.498 3.960 -0.030 0.000 0.316 385 G C -1.625 173.046 174.900 -0.381 0.000 1.129 385 G CA -0.338 44.022 45.100 -1.235 0.000 0.899 385 G HN 0.312 nan 8.290 nan 0.000 0.448 386 F N 1.805 121.215 119.950 -0.899 0.000 2.402 386 F HA 0.470 4.978 4.527 -0.031 0.000 0.355 386 F C -0.690 174.711 175.800 -0.664 0.000 1.123 386 F CA -1.210 56.463 58.000 -0.544 0.000 1.021 386 F CB 1.602 40.431 39.000 -0.285 0.000 1.160 386 F HN 0.315 nan 8.300 nan 0.000 0.451 387 Y N 1.513 121.398 120.300 -0.692 0.000 2.350 387 Y HA 0.424 4.955 4.550 -0.031 0.000 0.338 387 Y C -0.975 174.223 175.900 -1.171 0.000 0.961 387 Y CA -1.519 56.109 58.100 -0.786 0.000 1.100 387 Y CB 1.275 39.196 38.460 -0.898 0.000 1.179 387 Y HN 0.508 nan 8.280 nan 0.000 0.454 388 W N 3.390 124.354 121.300 -0.560 0.000 2.478 388 W HA 0.601 5.242 4.660 -0.030 0.000 0.318 388 W C -1.380 174.723 176.519 -0.693 0.000 1.062 388 W CA -0.697 56.349 57.345 -0.497 0.000 1.210 388 W CB 1.117 30.456 29.460 -0.202 0.000 1.325 388 W HN 0.334 nan 8.180 nan 0.000 0.496 389 Y N 3.070 123.275 120.300 -0.157 0.000 2.409 389 Y HA 0.635 5.167 4.550 -0.031 0.000 0.343 389 Y C -0.286 175.317 175.900 -0.495 0.000 0.973 389 Y CA -1.595 56.226 58.100 -0.464 0.000 1.064 389 Y CB 1.151 39.227 38.460 -0.640 0.000 1.207 389 Y HN 0.056 nan 8.280 nan 0.000 0.452 390 L N 4.161 125.054 121.223 -0.550 0.000 2.349 390 L HA 0.523 4.845 4.340 -0.030 0.000 0.278 390 L C -1.206 175.472 176.870 -0.321 0.000 0.996 390 L CA -0.852 53.603 54.840 -0.641 0.000 0.825 390 L CB 1.263 42.646 42.059 -1.126 0.000 1.243 390 L HN 0.595 nan 8.230 nan 0.000 0.412 391 Y N 1.873 122.302 120.300 0.215 0.000 2.453 391 Y HA 0.314 4.846 4.550 -0.031 0.000 0.326 391 Y C 1.203 177.533 175.900 0.717 0.000 1.186 391 Y CA -0.695 57.651 58.100 0.410 0.000 1.200 391 Y CB 1.498 40.094 38.460 0.226 0.000 1.247 391 Y HN 0.446 nan 8.280 nan 0.000 0.482 392 L N 0.618 122.249 121.223 0.681 0.000 2.079 392 L HA -0.219 4.102 4.340 -0.030 0.000 0.210 392 L C 1.509 178.608 176.870 0.383 0.000 1.081 392 L CA 1.794 56.897 54.840 0.439 0.000 0.752 392 L CB -0.380 41.826 42.059 0.245 0.000 0.896 392 L HN 0.768 nan 8.230 nan 0.000 0.433 393 D N -0.588 120.014 120.400 0.336 0.000 2.352 393 D HA 0.019 4.640 4.640 -0.030 0.000 0.232 393 D C 1.399 177.788 176.300 0.149 0.000 1.055 393 D CA 0.818 54.909 54.000 0.152 0.000 0.891 393 D CB 0.113 40.977 40.800 0.106 0.000 0.897 393 D HN 0.346 nan 8.370 nan 0.000 0.529 394 G N -0.859 108.192 108.800 0.419 0.000 2.194 394 G HA2 -0.258 3.683 3.960 -0.030 0.000 0.236 394 G HA3 -0.258 3.683 3.960 -0.030 0.000 0.236 394 G C 0.465 175.853 174.900 0.813 0.000 0.987 394 G CA 0.180 45.583 45.100 0.505 0.000 0.635 394 G HN 0.466 nan 8.290 nan 0.000 0.520 395 T N 1.402 116.324 114.554 0.613 0.000 2.930 395 T HA 0.524 4.856 4.350 -0.030 0.000 0.306 395 T C 0.534 175.578 174.700 0.574 0.000 1.045 395 T CA 0.532 62.931 62.100 0.499 0.000 1.134 395 T CB 1.168 70.149 68.868 0.189 0.000 0.961 395 T HN 0.351 nan 8.240 nan 0.000 0.545 396 I N 2.586 123.422 120.570 0.444 0.000 2.433 396 I HA 0.480 4.632 4.170 -0.030 0.000 0.292 396 I C 0.131 176.387 176.117 0.232 0.000 1.001 396 I CA -0.599 60.860 61.300 0.266 0.000 1.119 396 I CB 1.847 39.977 38.000 0.217 0.000 1.289 396 I HN 0.608 nan 8.210 nan 0.000 0.438 397 E N 5.721 126.021 120.200 0.167 0.000 2.340 397 E HA 0.489 4.821 4.350 -0.030 0.000 0.273 397 E C -2.032 174.398 176.600 -0.284 0.000 0.891 397 E CA -0.646 55.748 56.400 -0.010 0.000 0.757 397 E CB 2.763 32.594 29.700 0.219 0.000 1.231 397 E HN 0.418 nan 8.360 nan 0.000 0.439 398 F N 2.338 121.720 119.950 -0.946 0.000 2.532 398 F HA 0.504 5.013 4.527 -0.031 0.000 0.321 398 F C -1.154 174.095 175.800 -0.919 0.000 1.089 398 F CA -0.486 56.742 58.000 -1.286 0.000 0.926 398 F CB 1.782 39.634 39.000 -1.912 0.000 1.168 398 F HN 0.512 nan 8.300 nan 0.000 0.459 399 E N 4.282 123.349 120.200 -1.889 0.000 2.290 399 E HA 0.708 5.039 4.350 -0.030 0.000 0.274 399 E C -1.958 173.795 176.600 -1.411 0.000 0.889 399 E CA -0.997 54.687 56.400 -1.193 0.000 0.760 399 E CB 1.850 31.257 29.700 -0.488 0.000 1.206 399 E HN 0.862 nan 8.360 nan 0.000 0.419 400 A N 4.336 126.591 122.820 -0.940 0.000 2.330 400 A HA 0.574 4.876 4.320 -0.030 0.000 0.327 400 A C -0.886 176.471 177.584 -0.379 0.000 1.155 400 A CA -0.743 50.841 52.037 -0.754 0.000 0.803 400 A CB 0.930 19.335 19.000 -0.992 0.000 1.208 400 A HN 0.549 nan 8.150 nan 0.000 0.477 401 K N 1.732 121.997 120.400 -0.224 0.000 2.425 401 K HA 0.564 4.866 4.320 -0.030 0.000 0.259 401 K C -0.604 176.001 176.600 0.008 0.000 0.978 401 K CA -0.293 55.944 56.287 -0.082 0.000 0.883 401 K CB 2.084 34.588 32.500 0.007 0.000 1.110 401 K HN 0.739 nan 8.250 nan 0.000 0.436 402 A N 2.526 125.358 122.820 0.020 0.000 2.274 402 A HA 0.559 4.860 4.320 -0.030 0.000 0.309 402 A C 0.010 177.569 177.584 -0.042 0.000 1.226 402 A CA -0.166 51.872 52.037 0.000 0.000 0.853 402 A CB 1.232 20.172 19.000 -0.100 0.000 1.146 402 A HN 0.692 nan 8.150 nan 0.000 0.518 403 T N 0.756 115.270 114.554 -0.067 0.000 2.606 403 T HA 0.777 5.109 4.350 -0.030 0.000 0.289 403 T C 0.404 175.037 174.700 -0.113 0.000 1.113 403 T CA 1.077 63.154 62.100 -0.039 0.000 1.106 403 T CB 0.556 69.450 68.868 0.044 0.000 1.611 403 T HN 2.661 nan 8.240 nan 0.000 0.471 404 G N -0.114 108.611 108.800 -0.125 0.000 2.451 404 G HA2 0.011 3.953 3.960 -0.030 0.000 0.208 404 G HA3 0.011 3.953 3.960 -0.030 0.000 0.208 404 G C -1.156 173.618 174.900 -0.209 0.000 1.248 404 G CA -0.204 44.784 45.100 -0.186 0.000 0.989 404 G HN 1.385 nan 8.290 nan 0.000 0.559 405 V N 1.216 120.964 119.914 -0.276 0.000 2.495 405 V HA 0.622 4.723 4.120 -0.030 0.000 0.298 405 V C 1.103 177.082 176.094 -0.191 0.000 1.031 405 V CA -0.139 62.008 62.300 -0.254 0.000 0.871 405 V CB 1.190 32.764 31.823 -0.414 0.000 0.988 405 V HN 1.715 nan 8.190 nan 0.000 0.432 406 V N 2.125 122.084 119.914 0.075 0.000 2.740 406 V HA 0.333 4.435 4.120 -0.030 0.000 0.303 406 V C -0.126 176.034 176.094 0.110 0.000 1.054 406 V CA -0.217 62.181 62.300 0.163 0.000 1.106 406 V CB 0.160 32.150 31.823 0.278 0.000 0.957 406 V HN 0.622 nan 8.190 nan 0.000 0.486 407 F N 4.995 124.942 119.950 -0.005 0.000 2.504 407 F HA 0.491 5.003 4.527 -0.025 0.000 0.369 407 F C 1.016 176.915 175.800 0.165 0.000 1.082 407 F CA 0.563 58.583 58.000 0.035 0.000 1.216 407 F CB 0.703 39.703 39.000 -0.001 0.000 1.108 407 F HN 1.008 nan 8.300 nan 0.000 0.554 408 T N 1.754 116.328 114.554 0.032 0.000 2.948 408 T HA 0.838 5.170 4.350 -0.030 0.000 0.285 408 T C -0.209 174.567 174.700 0.127 0.000 1.019 408 T CA -0.225 61.951 62.100 0.126 0.000 1.013 408 T CB 1.654 70.581 68.868 0.097 0.000 1.117 408 T HN 0.729 nan 8.240 nan 0.000 0.533 409 S N -0.452 115.283 115.700 0.058 0.000 2.727 409 S HA 0.787 5.239 4.470 -0.030 0.000 0.278 409 S C -0.676 173.900 174.600 -0.040 0.000 1.186 409 S CA -0.779 57.407 58.200 -0.024 0.000 0.836 409 S CB 0.779 63.966 63.200 -0.021 0.000 1.186 409 S HN 1.434 nan 8.310 nan 0.000 0.499 410 A N 0.391 123.149 122.820 -0.103 0.000 2.302 410 A HA 0.731 5.033 4.320 -0.030 0.000 0.285 410 A C -0.901 176.729 177.584 0.077 0.000 1.105 410 A CA -0.470 51.563 52.037 -0.007 0.000 0.816 410 A CB 0.018 19.017 19.000 -0.002 0.000 1.067 410 A HN 0.989 nan 8.150 nan 0.000 0.489 411 F N 2.656 122.604 119.950 -0.003 0.000 2.371 411 F HA 0.519 5.025 4.527 -0.035 0.000 0.363 411 F C -2.142 173.698 175.800 0.067 0.000 1.122 411 F CA -2.544 55.460 58.000 0.006 0.000 1.129 411 F CB 0.830 39.824 39.000 -0.011 0.000 1.173 411 F HN 0.308 nan 8.300 nan 0.000 0.489 412 P HA -0.031 nan 4.420 nan 0.000 0.266 412 P C -0.789 176.317 177.300 -0.324 0.000 1.193 412 P CA -0.007 62.950 63.100 -0.240 0.000 0.770 412 P CB 0.475 32.036 31.700 -0.231 0.000 0.836 413 E N 1.289 121.411 120.200 -0.129 0.000 2.338 413 E HA 0.299 4.631 4.350 -0.030 0.000 0.272 413 E C 0.942 177.476 176.600 -0.110 0.000 1.029 413 E CA 0.422 56.771 56.400 -0.085 0.000 0.872 413 E CB -0.187 29.481 29.700 -0.053 0.000 1.015 413 E HN 0.727 nan 8.360 nan 0.000 0.417 414 G N 2.591 111.348 108.800 -0.071 0.000 2.175 414 G HA2 -0.187 3.755 3.960 -0.030 0.000 0.244 414 G HA3 -0.187 3.755 3.960 -0.030 0.000 0.244 414 G C 0.613 175.462 174.900 -0.084 0.000 0.982 414 G CA -0.007 45.058 45.100 -0.058 0.000 0.641 414 G HN 1.418 nan 8.290 nan 0.000 0.527 415 G N -1.569 107.113 108.800 -0.197 0.000 2.725 415 G HA2 0.402 4.344 3.960 -0.030 0.000 0.220 415 G HA3 0.402 4.344 3.960 -0.030 0.000 0.220 415 G C -0.129 174.565 174.900 -0.343 0.000 1.357 415 G CA 0.940 45.890 45.100 -0.250 0.000 0.866 415 G HN 2.260 nan 8.290 nan 0.000 0.548 416 S N -1.472 114.120 115.700 -0.180 0.000 2.537 416 S HA 0.604 5.055 4.470 -0.030 0.000 0.271 416 S C -0.281 174.307 174.600 -0.020 0.000 1.148 416 S CA 0.439 58.553 58.200 -0.143 0.000 0.868 416 S CB 1.706 64.761 63.200 -0.241 0.000 1.115 416 S HN 0.628 nan 8.310 nan 0.000 0.461 417 D N 2.198 122.581 120.400 -0.028 0.000 2.360 417 D HA 0.168 4.790 4.640 -0.030 0.000 0.210 417 D C 0.241 176.555 176.300 0.024 0.000 1.047 417 D CA 0.422 54.457 54.000 0.058 0.000 0.854 417 D CB 0.099 40.939 40.800 0.067 0.000 0.936 417 D HN 0.591 nan 8.370 nan 0.000 0.514 418 N N -0.238 118.295 118.700 -0.279 0.000 2.160 418 N HA 0.134 4.855 4.740 -0.030 0.000 0.226 418 N C -0.438 174.312 175.510 -1.267 0.000 1.256 418 N CA -0.049 52.613 53.050 -0.647 0.000 0.890 418 N CB 1.679 40.048 38.487 -0.196 0.000 1.116 418 N HN -0.045 nan 8.380 nan 0.000 0.517 419 I N 0.585 120.589 120.570 -0.943 0.000 2.686 419 I HA 0.374 4.526 4.170 -0.030 0.000 0.295 419 I C -0.294 175.820 176.117 -0.005 0.000 1.114 419 I CA -0.945 60.083 61.300 -0.453 0.000 1.038 419 I CB 1.757 39.711 38.000 -0.075 0.000 1.238 419 I HN -0.039 nan 8.210 nan 0.000 0.420 420 S N 4.242 120.077 115.700 0.225 0.000 2.578 420 S HA 0.603 5.055 4.470 -0.030 0.000 0.301 420 S C -0.603 173.959 174.600 -0.064 0.000 1.091 420 S CA -0.766 57.593 58.200 0.266 0.000 1.032 420 S CB 2.575 66.013 63.200 0.396 0.000 1.064 420 S HN 0.637 nan 8.310 nan 0.000 0.508 421 Q N 0.902 120.370 119.800 -0.553 0.000 2.256 421 Q HA 0.455 4.777 4.340 -0.030 0.000 0.254 421 Q C -0.114 175.670 176.000 -0.359 0.000 0.916 421 Q CA -0.507 54.795 55.803 -0.836 0.000 0.932 421 Q CB 0.830 28.695 28.738 -1.454 0.000 1.207 421 Q HN 0.866 nan 8.270 nan 0.000 0.426 422 L N 1.909 122.952 121.223 -0.300 0.000 2.500 422 L HA 0.508 4.830 4.340 -0.030 0.000 0.219 422 L C 0.414 177.144 176.870 -0.233 0.000 1.057 422 L CA 0.128 54.834 54.840 -0.224 0.000 0.854 422 L CB 0.533 42.390 42.059 -0.338 0.000 1.078 422 L HN 0.622 nan 8.230 nan 0.000 0.480 423 A N -1.052 121.592 122.820 -0.294 0.000 2.588 423 A HA 0.645 4.947 4.320 -0.030 0.000 0.290 423 A C -2.704 174.800 177.584 -0.134 0.000 1.136 423 A CA -1.076 50.852 52.037 -0.180 0.000 0.681 423 A CB 0.376 19.244 19.000 -0.220 0.000 1.282 423 A HN -0.230 nan 8.150 nan 0.000 0.421 424 P HA 0.272 nan 4.420 nan 0.000 0.257 424 P C 0.959 178.268 177.300 0.016 0.000 1.189 424 P CA 2.378 65.474 63.100 -0.008 0.000 0.780 424 P CB 0.231 31.942 31.700 0.018 0.000 0.772 425 G N 2.370 111.208 108.800 0.064 0.000 2.184 425 G HA2 -0.281 3.661 3.960 -0.030 0.000 0.264 425 G HA3 -0.281 3.661 3.960 -0.030 0.000 0.264 425 G C -0.144 174.815 174.900 0.098 0.000 0.975 425 G CA -0.096 45.077 45.100 0.123 0.000 0.642 425 G HN 0.559 nan 8.290 nan 0.000 0.536 426 L N 1.441 122.654 121.223 -0.016 0.000 2.295 426 L HA 0.816 5.138 4.340 -0.030 0.000 0.285 426 L C 0.624 177.434 176.870 -0.101 0.000 1.035 426 L CA 0.231 55.002 54.840 -0.115 0.000 0.806 426 L CB 1.346 43.202 42.059 -0.339 0.000 1.214 426 L HN 0.418 nan 8.230 nan 0.000 0.426 427 G N 3.172 111.970 108.800 -0.004 0.000 2.600 427 G HA2 0.803 4.745 3.960 -0.030 0.000 0.303 427 G HA3 0.803 4.745 3.960 -0.030 0.000 0.303 427 G C -1.806 173.118 174.900 0.039 0.000 1.253 427 G CA -0.369 44.782 45.100 0.085 0.000 0.974 427 G HN 0.931 nan 8.290 nan 0.000 0.483 428 A N 1.077 123.959 122.820 0.103 0.000 2.457 428 A HA 0.776 5.077 4.320 -0.030 0.000 0.283 428 A C -2.890 174.831 177.584 0.227 0.000 1.166 428 A CA -1.336 50.799 52.037 0.164 0.000 0.740 428 A CB 1.715 20.805 19.000 0.151 0.000 1.181 428 A HN 0.388 nan 8.150 nan 0.000 0.446 429 P HA 0.205 nan 4.420 nan 0.000 0.266 429 P C -0.375 177.179 177.300 0.424 0.000 1.195 429 P CA 0.208 63.449 63.100 0.234 0.000 0.768 429 P CB 0.161 32.043 31.700 0.304 0.000 0.838 430 F N 3.486 123.539 119.950 0.173 0.000 2.545 430 F HA 0.212 4.721 4.527 -0.029 0.000 0.348 430 F C 1.655 177.375 175.800 -0.134 0.000 1.163 430 F CA 0.528 58.512 58.000 -0.027 0.000 1.331 430 F CB -0.455 38.537 39.000 -0.013 0.000 1.138 430 F HN 0.507 nan 8.300 nan 0.000 0.602 431 H N -0.541 118.352 119.070 -0.295 0.000 2.887 431 H HA 0.479 5.017 4.556 -0.030 0.000 0.290 431 H C -1.835 173.185 175.328 -0.513 0.000 1.429 431 H CA -1.118 54.556 56.048 -0.624 0.000 1.137 431 H CB 1.324 30.256 29.762 -1.382 0.000 1.824 431 H HN 0.584 nan 8.280 nan 0.000 0.520 432 Q N 0.044 119.557 119.800 -0.479 0.000 2.484 432 Q HA 0.383 4.704 4.340 -0.030 0.000 0.285 432 Q C -1.104 174.638 176.000 -0.430 0.000 1.097 432 Q CA -0.977 54.595 55.803 -0.385 0.000 0.802 432 Q CB 2.910 31.479 28.738 -0.282 0.000 1.444 432 Q HN 0.529 nan 8.270 nan 0.000 0.429 433 H N 1.524 120.535 119.070 -0.099 0.000 2.887 433 H HA 0.361 4.898 4.556 -0.031 0.000 0.300 433 H C -0.883 174.301 175.328 -0.241 0.000 1.038 433 H CA -0.329 55.632 56.048 -0.146 0.000 1.352 433 H CB 0.813 30.607 29.762 0.053 0.000 1.473 433 H HN 0.371 nan 8.280 nan 0.000 0.503 434 I N 4.314 124.694 120.570 -0.317 0.000 2.362 434 I HA 0.235 4.387 4.170 -0.030 0.000 0.289 434 I C -0.075 175.787 176.117 -0.424 0.000 0.994 434 I CA -0.566 60.573 61.300 -0.270 0.000 1.158 434 I CB 0.636 38.489 38.000 -0.245 0.000 1.315 434 I HN 0.227 nan 8.210 nan 0.000 0.451 435 F N 3.042 122.699 119.950 -0.488 0.000 2.483 435 F HA 0.514 5.023 4.527 -0.030 0.000 0.329 435 F C 0.780 176.308 175.800 -0.453 0.000 1.064 435 F CA -0.858 56.783 58.000 -0.599 0.000 0.986 435 F CB 1.600 39.897 39.000 -1.173 0.000 1.218 435 F HN 0.333 nan 8.300 nan 0.000 0.484 436 S N 1.077 116.759 115.700 -0.030 0.000 2.707 436 S HA 0.772 5.224 4.470 -0.030 0.000 0.303 436 S C -0.976 173.700 174.600 0.126 0.000 1.132 436 S CA -0.548 57.690 58.200 0.063 0.000 1.046 436 S CB 0.519 63.623 63.200 -0.160 0.000 1.004 436 S HN 0.843 nan 8.310 nan 0.000 0.483 437 A N 4.894 127.846 122.820 0.221 0.000 2.260 437 A HA 0.606 4.908 4.320 -0.030 0.000 0.308 437 A C 0.154 177.757 177.584 0.032 0.000 1.254 437 A CA -0.655 51.481 52.037 0.164 0.000 0.874 437 A CB 0.335 19.391 19.000 0.094 0.000 1.153 437 A HN 0.848 nan 8.150 nan 0.000 0.527 438 R N 3.506 123.961 120.500 -0.076 0.000 2.207 438 R HA 0.516 4.838 4.340 -0.030 0.000 0.334 438 R C -1.484 174.625 176.300 -0.318 0.000 1.013 438 R CA -0.319 55.529 56.100 -0.420 0.000 0.858 438 R CB 0.253 30.172 30.300 -0.634 0.000 1.094 438 R HN 0.718 nan 8.270 nan 0.000 0.457 439 L N 4.554 125.582 121.223 -0.325 0.000 2.337 439 L HA 0.255 4.577 4.340 -0.030 0.000 0.269 439 L C -0.430 176.319 176.870 -0.202 0.000 1.018 439 L CA -0.885 53.844 54.840 -0.185 0.000 0.876 439 L CB 1.416 43.435 42.059 -0.066 0.000 1.236 439 L HN 0.538 nan 8.230 nan 0.000 0.436 440 D N 4.998 125.287 120.400 -0.185 0.000 2.383 440 D HA 0.154 4.775 4.640 -0.030 0.000 0.245 440 D C 0.220 176.493 176.300 -0.044 0.000 1.263 440 D CA -0.227 53.717 54.000 -0.093 0.000 0.936 440 D CB 0.622 41.384 40.800 -0.064 0.000 1.053 440 D HN 0.159 nan 8.370 nan 0.000 0.507 441 M N 2.252 121.844 119.600 -0.013 0.000 2.240 441 M HA 0.366 4.827 4.480 -0.030 0.000 0.333 441 M C 0.451 176.730 176.300 -0.034 0.000 1.110 441 M CA -0.404 54.882 55.300 -0.023 0.000 1.173 441 M CB 0.753 33.359 32.600 0.009 0.000 1.458 441 M HN 0.498 nan 8.290 nan 0.000 0.458 442 A N 2.840 125.576 122.820 -0.140 0.000 3.368 442 A HA 0.452 4.754 4.320 -0.030 0.000 0.211 442 A C -0.593 176.871 177.584 -0.199 0.000 1.004 442 A CA -0.588 51.265 52.037 -0.306 0.000 1.059 442 A CB -0.296 18.358 19.000 -0.577 0.000 1.298 442 A HN 0.567 nan 8.150 nan 0.000 0.613 443 I N 1.677 122.200 120.570 -0.078 0.000 2.680 443 I HA 0.111 4.263 4.170 -0.030 0.000 0.286 443 I C 0.547 176.707 176.117 0.071 0.000 1.144 443 I CA 0.765 62.088 61.300 0.039 0.000 1.370 443 I CB -0.494 37.573 38.000 0.111 0.000 1.420 443 I HN 0.421 nan 8.210 nan 0.000 0.540 444 D N 4.583 125.050 120.400 0.112 0.000 2.882 444 D HA -0.175 4.447 4.640 -0.030 0.000 0.229 444 D C 0.446 176.712 176.300 -0.057 0.000 1.167 444 D CA 1.706 55.719 54.000 0.022 0.000 0.759 444 D CB -0.917 39.868 40.800 -0.024 0.000 1.088 444 D HN 1.087 nan 8.370 nan 0.000 0.425 445 G N -2.359 106.354 108.800 -0.144 0.000 2.353 445 G HA2 -0.001 3.940 3.960 -0.030 0.000 0.424 445 G HA3 -0.001 3.940 3.960 -0.030 0.000 0.424 445 G C 0.120 174.860 174.900 -0.267 0.000 1.320 445 G CA -0.401 44.568 45.100 -0.217 0.000 0.995 445 G HN 0.008 nan 8.290 nan 0.000 0.580 446 F N 0.731 120.674 119.950 -0.011 0.000 2.780 446 F HA 0.223 4.731 4.527 -0.031 0.000 0.299 446 F C 2.225 178.026 175.800 0.001 0.000 1.146 446 F CA 1.123 59.111 58.000 -0.021 0.000 1.428 446 F CB 0.401 39.374 39.000 -0.046 0.000 1.115 446 F HN 0.273 nan 8.300 nan 0.000 0.583 447 T N 2.639 117.282 114.554 0.149 0.000 2.987 447 T HA 0.151 4.483 4.350 -0.030 0.000 0.288 447 T C -0.102 174.650 174.700 0.086 0.000 0.981 447 T CA -0.095 62.070 62.100 0.108 0.000 1.031 447 T CB -0.553 68.361 68.868 0.077 0.000 0.976 447 T HN -0.004 nan 8.240 nan 0.000 0.612 448 N N 2.819 121.578 118.700 0.099 0.000 2.380 448 N HA 0.677 5.399 4.740 -0.030 0.000 0.290 448 N C -0.270 175.295 175.510 0.091 0.000 1.236 448 N CA -1.010 52.094 53.050 0.089 0.000 0.780 448 N CB 2.128 40.669 38.487 0.090 0.000 1.438 448 N HN 0.592 nan 8.380 nan 0.000 0.491 449 R N -1.543 119.011 120.500 0.090 0.000 2.739 449 R HA 0.766 5.088 4.340 -0.030 0.000 0.271 449 R C -1.740 174.622 176.300 0.103 0.000 1.010 449 R CA -0.851 55.304 56.100 0.092 0.000 0.897 449 R CB 0.766 31.113 30.300 0.079 0.000 1.236 449 R HN 0.178 nan 8.270 nan 0.000 0.466 450 V N 1.108 121.091 119.914 0.114 0.000 2.628 450 V HA 0.455 4.556 4.120 -0.030 0.000 0.306 450 V C -0.490 175.692 176.094 0.146 0.000 1.045 450 V CA -0.717 61.668 62.300 0.141 0.000 0.905 450 V CB 1.821 33.736 31.823 0.153 0.000 0.997 450 V HN 0.782 nan 8.190 nan 0.000 0.436 451 E N 2.009 122.304 120.200 0.158 0.000 2.248 451 E HA 0.396 4.727 4.350 -0.030 0.000 0.267 451 E C -1.048 175.633 176.600 0.136 0.000 0.877 451 E CA -0.633 55.841 56.400 0.124 0.000 0.759 451 E CB 2.802 32.544 29.700 0.069 0.000 1.182 451 E HN 0.735 nan 8.360 nan 0.000 0.418 452 E N 2.776 123.039 120.200 0.105 0.000 2.167 452 E HA 0.067 4.399 4.350 -0.030 0.000 0.284 452 E C -0.975 175.530 176.600 -0.160 0.000 1.016 452 E CA -0.234 56.128 56.400 -0.063 0.000 0.817 452 E CB 0.878 30.612 29.700 0.055 0.000 1.080 452 E HN 0.402 nan 8.360 nan 0.000 0.397 453 E N 4.444 124.471 120.200 -0.288 0.000 2.133 453 E HA 0.172 4.503 4.350 -0.030 0.000 0.274 453 E C -1.242 175.221 176.600 -0.229 0.000 0.930 453 E CA -0.783 55.498 56.400 -0.199 0.000 0.770 453 E CB 0.914 30.520 29.700 -0.156 0.000 1.104 453 E HN 0.404 nan 8.360 nan 0.000 0.403 454 D N 2.661 122.976 120.400 -0.141 0.000 2.342 454 D HA 0.259 4.880 4.640 -0.030 0.000 0.243 454 D C -0.540 175.725 176.300 -0.058 0.000 1.019 454 D CA -0.550 53.380 54.000 -0.116 0.000 0.864 454 D CB 2.166 42.914 40.800 -0.086 0.000 1.315 454 D HN 0.163 nan 8.370 nan 0.000 0.468 455 V N 1.476 121.361 119.914 -0.049 0.000 2.715 455 V HA 0.212 4.314 4.120 -0.030 0.000 0.299 455 V C 0.191 176.290 176.094 0.009 0.000 1.054 455 V CA -0.279 62.019 62.300 -0.003 0.000 1.077 455 V CB 1.447 33.246 31.823 -0.040 0.000 0.972 455 V HN 0.259 nan 8.190 nan 0.000 0.484 456 V N 6.145 126.093 119.914 0.058 0.000 2.407 456 V HA 0.436 4.538 4.120 -0.030 0.000 0.291 456 V C 0.246 176.391 176.094 0.084 0.000 1.018 456 V CA -0.796 61.534 62.300 0.050 0.000 0.842 456 V CB 1.493 33.341 31.823 0.041 0.000 0.996 456 V HN 0.814 nan 8.190 nan 0.000 0.426 457 R N 3.451 123.981 120.500 0.049 0.000 2.490 457 R HA 0.544 4.866 4.340 -0.030 0.000 0.278 457 R C -0.500 175.836 176.300 0.059 0.000 1.069 457 R CA -0.448 55.688 56.100 0.061 0.000 1.080 457 R CB 1.042 31.353 30.300 0.019 0.000 1.030 457 R HN 0.670 nan 8.270 nan 0.000 0.491 458 Q N 0.378 120.222 119.800 0.072 0.000 2.345 458 Q HA 0.298 4.619 4.340 -0.030 0.000 0.268 458 Q C -0.824 175.198 176.000 0.037 0.000 1.054 458 Q CA -0.695 55.138 55.803 0.049 0.000 0.835 458 Q CB 2.631 31.399 28.738 0.050 0.000 1.339 458 Q HN 0.463 nan 8.270 nan 0.000 0.447 459 T N 2.035 116.604 114.554 0.025 0.000 2.856 459 T HA 0.268 4.599 4.350 -0.030 0.000 0.292 459 T C 0.052 174.762 174.700 0.017 0.000 0.980 459 T CA -0.438 61.673 62.100 0.019 0.000 1.091 459 T CB 0.543 69.419 68.868 0.013 0.000 0.936 459 T HN 0.472 nan 8.240 nan 0.000 0.503 460 M N 3.054 122.663 119.600 0.016 0.000 2.248 460 M HA 0.426 4.888 4.480 -0.030 0.000 0.345 460 M C 0.539 176.845 176.300 0.009 0.000 1.243 460 M CA 1.002 56.310 55.300 0.013 0.000 1.090 460 M CB -0.452 32.156 32.600 0.013 0.000 1.683 460 M HN 0.930 nan 8.290 nan 0.000 0.450 461 G N 4.432 113.237 108.800 0.007 0.000 2.367 461 G HA2 0.190 4.132 3.960 -0.030 0.000 0.272 461 G HA3 0.190 4.132 3.960 -0.030 0.000 0.272 461 G C -3.384 171.518 174.900 0.003 0.000 1.271 461 G CA -1.115 43.988 45.100 0.005 0.000 0.893 461 G HN 0.418 nan 8.290 nan 0.000 0.485 462 P HA 0.345 nan 4.420 nan 0.000 0.263 462 P C 0.912 178.212 177.300 -0.001 0.000 1.195 462 P CA 2.276 65.376 63.100 0.000 0.000 0.762 462 P CB 0.774 32.474 31.700 -0.000 0.000 0.799 463 G N 2.832 111.631 108.800 -0.003 0.000 2.176 463 G HA2 -0.263 3.679 3.960 -0.030 0.000 0.253 463 G HA3 -0.263 3.679 3.960 -0.030 0.000 0.253 463 G C 0.466 175.362 174.900 -0.006 0.000 0.979 463 G CA 0.245 45.342 45.100 -0.006 0.000 0.641 463 G HN 0.652 nan 8.290 nan 0.000 0.530 464 N N -0.168 118.531 118.700 -0.002 0.000 2.609 464 N HA 0.304 5.026 4.740 -0.030 0.000 0.251 464 N C 0.937 176.449 175.510 0.004 0.000 1.526 464 N CA 0.415 53.465 53.050 0.001 0.000 0.931 464 N CB 0.366 38.856 38.487 0.005 0.000 1.460 464 N HN 0.093 nan 8.380 nan 0.000 0.526 465 E N 0.091 120.292 120.200 0.002 0.000 2.160 465 E HA -0.020 4.311 4.350 -0.030 0.000 0.195 465 E C 1.149 177.752 176.600 0.006 0.000 0.991 465 E CA 1.196 57.598 56.400 0.003 0.000 0.810 465 E CB 0.100 29.800 29.700 0.001 0.000 0.742 465 E HN 0.404 nan 8.360 nan 0.000 0.466 466 R N -0.767 119.737 120.500 0.007 0.000 2.317 466 R HA 0.165 4.486 4.340 -0.030 0.000 0.208 466 R C 0.736 177.045 176.300 0.016 0.000 0.914 466 R CA 0.483 56.589 56.100 0.010 0.000 1.060 466 R CB 0.349 30.655 30.300 0.009 0.000 1.015 466 R HN 0.220 nan 8.270 nan 0.000 0.498 467 G N 2.618 111.429 108.800 0.018 0.000 2.305 467 G HA2 -0.299 3.643 3.960 -0.030 0.000 0.287 467 G HA3 -0.299 3.643 3.960 -0.030 0.000 0.287 467 G C 0.436 175.361 174.900 0.042 0.000 1.036 467 G CA 0.776 45.892 45.100 0.027 0.000 0.887 467 G HN 0.577 nan 8.290 nan 0.000 0.505 468 N N -0.631 118.095 118.700 0.044 0.000 2.294 468 N HA 0.359 5.081 4.740 -0.030 0.000 0.186 468 N C 1.092 176.662 175.510 0.099 0.000 1.107 468 N CA 0.679 53.771 53.050 0.070 0.000 0.884 468 N CB 0.089 38.603 38.487 0.046 0.000 1.030 468 N HN 0.944 nan 8.380 nan 0.000 0.482 469 A N 0.984 123.835 122.820 0.052 0.000 2.462 469 A HA 0.457 4.759 4.320 -0.030 0.000 0.243 469 A C -0.461 177.200 177.584 0.128 0.000 1.076 469 A CA -0.233 51.813 52.037 0.014 0.000 0.773 469 A CB -0.370 18.619 19.000 -0.017 0.000 1.010 469 A HN 0.469 nan 8.150 nan 0.000 0.493 470 F N 0.169 120.113 119.950 -0.009 0.000 2.654 470 F HA 0.813 5.322 4.527 -0.030 0.000 0.308 470 F C -0.280 175.512 175.800 -0.013 0.000 1.108 470 F CA -0.389 57.604 58.000 -0.011 0.000 0.957 470 F CB 0.975 39.968 39.000 -0.012 0.000 1.309 470 F HN 0.627 nan 8.300 nan 0.000 0.446 471 S N 0.824 116.653 115.700 0.216 0.000 3.359 471 S HA 0.852 5.303 4.470 -0.030 0.000 0.323 471 S C -1.563 173.122 174.600 0.142 0.000 1.143 471 S CA -0.702 57.547 58.200 0.081 0.000 0.989 471 S CB 1.431 64.641 63.200 0.017 0.000 1.375 471 S HN 1.157 nan 8.310 nan 0.000 0.728 472 R N 0.582 121.119 120.500 0.062 0.000 2.692 472 R HA 0.600 4.922 4.340 -0.030 0.000 0.269 472 R C -2.004 174.304 176.300 0.012 0.000 1.030 472 R CA -0.937 55.188 56.100 0.042 0.000 0.882 472 R CB 1.249 31.571 30.300 0.037 0.000 1.250 472 R HN 0.721 nan 8.270 nan 0.000 0.465 473 K N 1.554 121.952 120.400 -0.005 0.000 2.469 473 K HA 0.589 4.891 4.320 -0.030 0.000 0.254 473 K C -1.179 175.409 176.600 -0.021 0.000 0.939 473 K CA -1.133 55.149 56.287 -0.009 0.000 0.812 473 K CB 2.791 35.288 32.500 -0.006 0.000 1.301 473 K HN 0.639 nan 8.250 nan 0.000 0.433 474 R N 1.159 121.652 120.500 -0.011 0.000 2.561 474 R HA 0.362 4.683 4.340 -0.030 0.000 0.297 474 R C -1.163 175.141 176.300 0.006 0.000 0.969 474 R CA -0.913 55.181 56.100 -0.010 0.000 0.879 474 R CB 2.526 32.825 30.300 -0.002 0.000 1.178 474 R HN 0.655 nan 8.270 nan 0.000 0.445 475 T N 2.392 116.955 114.554 0.015 0.000 2.791 475 T HA 0.210 4.542 4.350 -0.030 0.000 0.288 475 T C 0.067 174.800 174.700 0.055 0.000 0.999 475 T CA -0.582 61.537 62.100 0.032 0.000 0.952 475 T CB 1.449 70.337 68.868 0.032 0.000 0.938 475 T HN 0.148 nan 8.240 nan 0.000 0.444 476 V N 5.125 125.070 119.914 0.052 0.000 2.637 476 V HA 0.176 4.277 4.120 -0.030 0.000 0.296 476 V C 0.419 176.555 176.094 0.071 0.000 1.046 476 V CA -0.373 61.966 62.300 0.064 0.000 1.066 476 V CB 0.404 32.259 31.823 0.053 0.000 0.968 476 V HN 0.719 nan 8.190 nan 0.000 0.483 477 L N 5.605 126.881 121.223 0.088 0.000 2.268 477 L HA 0.260 4.581 4.340 -0.030 0.000 0.289 477 L C 1.473 178.387 176.870 0.075 0.000 1.064 477 L CA -0.121 54.769 54.840 0.085 0.000 0.824 477 L CB 1.016 43.137 42.059 0.103 0.000 1.202 477 L HN 0.924 nan 8.230 nan 0.000 0.433 478 T N -0.409 114.182 114.554 0.061 0.000 3.031 478 T HA 0.164 4.495 4.350 -0.030 0.000 0.254 478 T C 0.990 175.724 174.700 0.057 0.000 1.060 478 T CA 0.098 62.232 62.100 0.057 0.000 1.135 478 T CB 0.370 69.265 68.868 0.046 0.000 0.896 478 T HN 0.313 nan 8.240 nan 0.000 0.472 479 R N 0.689 121.222 120.500 0.055 0.000 2.744 479 R HA 0.431 4.752 4.340 -0.030 0.000 0.279 479 R C 0.641 176.978 176.300 0.062 0.000 0.977 479 R CA -0.521 55.612 56.100 0.055 0.000 0.906 479 R CB 1.626 31.952 30.300 0.044 0.000 1.197 479 R HN 0.265 nan 8.270 nan 0.000 0.463 480 E N 0.440 120.683 120.200 0.072 0.000 2.160 480 E HA -0.190 4.141 4.350 -0.030 0.000 0.195 480 E C 1.362 178.001 176.600 0.065 0.000 0.991 480 E CA 1.983 58.434 56.400 0.086 0.000 0.810 480 E CB 0.141 29.901 29.700 0.101 0.000 0.742 480 E HN 0.619 nan 8.360 nan 0.000 0.466 481 S N 1.133 116.863 115.700 0.049 0.000 2.469 481 S HA -0.181 4.270 4.470 -0.030 0.000 0.238 481 S C 1.515 176.123 174.600 0.012 0.000 0.998 481 S CA 1.332 59.550 58.200 0.031 0.000 0.957 481 S CB -0.321 62.895 63.200 0.027 0.000 0.764 481 S HN 0.470 nan 8.310 nan 0.000 0.514 482 E N 0.086 120.297 120.200 0.019 0.000 2.624 482 E HA 0.555 4.886 4.350 -0.030 0.000 0.210 482 E C 0.744 177.350 176.600 0.009 0.000 0.997 482 E CA 0.138 56.543 56.400 0.009 0.000 0.999 482 E CB 0.448 30.162 29.700 0.023 0.000 1.040 482 E HN 0.471 nan 8.360 nan 0.000 0.469 483 A N 0.969 123.793 122.820 0.006 0.000 2.545 483 A HA 0.319 4.621 4.320 -0.030 0.000 0.277 483 A C 0.180 177.710 177.584 -0.089 0.000 1.301 483 A CA -0.240 51.802 52.037 0.008 0.000 0.935 483 A CB 0.293 19.336 19.000 0.072 0.000 1.093 483 A HN 0.116 nan 8.150 nan 0.000 0.519 484 V N 2.742 122.533 119.914 -0.206 0.000 2.294 484 V HA 0.397 4.498 4.120 -0.030 0.000 0.272 484 V C -0.448 175.425 176.094 -0.369 0.000 1.027 484 V CA -0.722 61.266 62.300 -0.521 0.000 0.823 484 V CB 0.523 31.938 31.823 -0.681 0.000 1.030 484 V HN 0.451 nan 8.190 nan 0.000 0.457 485 R N 3.419 123.717 120.500 -0.336 0.000 2.732 485 R HA 0.639 4.961 4.340 -0.030 0.000 0.278 485 R C -0.101 176.157 176.300 -0.070 0.000 0.976 485 R CA -0.699 55.339 56.100 -0.104 0.000 0.963 485 R CB 2.113 32.476 30.300 0.106 0.000 1.150 485 R HN 0.895 nan 8.270 nan 0.000 0.478 486 E N 0.483 120.737 120.200 0.090 0.000 2.235 486 E HA 0.708 5.040 4.350 -0.030 0.000 0.265 486 E C -0.833 175.953 176.600 0.310 0.000 0.940 486 E CA -1.090 55.386 56.400 0.127 0.000 0.819 486 E CB 1.704 31.439 29.700 0.059 0.000 1.206 486 E HN 0.531 nan 8.360 nan 0.000 0.409 487 A N 1.314 124.316 122.820 0.303 0.000 2.332 487 A HA 0.283 4.584 4.320 -0.030 0.000 0.258 487 A C -0.307 177.373 177.584 0.161 0.000 1.087 487 A CA -0.191 52.047 52.037 0.336 0.000 0.802 487 A CB 0.448 19.639 19.000 0.317 0.000 1.042 487 A HN 0.710 nan 8.150 nan 0.000 0.489 488 D N 0.209 120.660 120.400 0.085 0.000 2.527 488 D HA 0.406 5.028 4.640 -0.030 0.000 0.242 488 D C 0.711 177.012 176.300 0.002 0.000 1.285 488 D CA 0.285 54.303 54.000 0.030 0.000 0.886 488 D CB 0.716 41.515 40.800 -0.002 0.000 1.402 488 D HN 0.474 nan 8.370 nan 0.000 0.528 489 A N 2.887 125.726 122.820 0.031 0.000 1.940 489 A HA -0.177 4.125 4.320 -0.030 0.000 0.219 489 A C 2.078 179.659 177.584 -0.006 0.000 1.176 489 A CA 1.423 53.474 52.037 0.023 0.000 0.631 489 A CB -0.255 18.773 19.000 0.046 0.000 0.814 489 A HN 0.510 nan 8.150 nan 0.000 0.446 490 R N -0.134 120.362 120.500 -0.008 0.000 2.105 490 R HA -0.141 4.181 4.340 -0.030 0.000 0.239 490 R C 1.498 177.773 176.300 -0.041 0.000 1.135 490 R CA 1.979 58.066 56.100 -0.022 0.000 0.967 490 R CB -0.381 29.910 30.300 -0.015 0.000 0.861 490 R HN 0.610 nan 8.270 nan 0.000 0.442 491 T N -3.294 111.233 114.554 -0.046 0.000 3.223 491 T HA 0.257 4.589 4.350 -0.030 0.000 0.259 491 T C 0.859 175.511 174.700 -0.080 0.000 1.015 491 T CA 0.142 62.205 62.100 -0.062 0.000 0.908 491 T CB 0.767 69.600 68.868 -0.057 0.000 1.054 491 T HN 0.371 nan 8.240 nan 0.000 0.567 492 G N 2.489 111.245 108.800 -0.072 0.000 2.341 492 G HA2 -0.354 3.588 3.960 -0.030 0.000 0.292 492 G HA3 -0.354 3.588 3.960 -0.030 0.000 0.292 492 G C 0.066 174.882 174.900 -0.140 0.000 1.021 492 G CA 0.221 45.276 45.100 -0.074 0.000 0.905 492 G HN 0.903 nan 8.290 nan 0.000 0.508 493 R N 0.559 120.939 120.500 -0.200 0.000 2.484 493 R HA 0.411 4.733 4.340 -0.030 0.000 0.293 493 R C 0.881 176.798 176.300 -0.639 0.000 1.023 493 R CA 1.010 56.865 56.100 -0.409 0.000 1.037 493 R CB 0.204 30.256 30.300 -0.414 0.000 0.951 493 R HN 0.470 nan 8.270 nan 0.000 0.418 494 T N 0.758 114.844 114.554 -0.780 0.000 2.804 494 T HA 0.545 4.876 4.350 -0.030 0.000 0.290 494 T C -1.001 173.154 174.700 -0.909 0.000 1.099 494 T CA -0.967 60.681 62.100 -0.752 0.000 1.011 494 T CB 1.257 69.854 68.868 -0.452 0.000 1.291 494 T HN 0.569 nan 8.240 nan 0.000 0.523 495 W N 0.531 121.770 121.300 -0.101 0.000 2.839 495 W HA 0.591 5.233 4.660 -0.031 0.000 0.334 495 W C -1.153 175.341 176.519 -0.041 0.000 1.064 495 W CA -1.150 56.164 57.345 -0.051 0.000 1.236 495 W CB 1.695 31.135 29.460 -0.033 0.000 1.405 495 W HN 0.582 nan 8.180 nan 0.000 0.478 496 I N 4.932 125.596 120.570 0.157 0.000 2.354 496 I HA 0.288 4.440 4.170 -0.030 0.000 0.292 496 I C -0.113 176.092 176.117 0.145 0.000 0.989 496 I CA -0.981 60.390 61.300 0.117 0.000 1.188 496 I CB 1.403 39.440 38.000 0.061 0.000 1.342 496 I HN 0.052 nan 8.210 nan 0.000 0.457 497 I N 5.697 126.359 120.570 0.153 0.000 2.312 497 I HA 0.322 4.474 4.170 -0.030 0.000 0.290 497 I C 0.426 176.627 176.117 0.140 0.000 1.008 497 I CA -0.017 61.366 61.300 0.139 0.000 1.226 497 I CB 0.843 38.919 38.000 0.126 0.000 1.371 497 I HN 0.605 nan 8.210 nan 0.000 0.468 498 S N 5.342 121.112 115.700 0.116 0.000 2.709 498 S HA 0.565 5.016 4.470 -0.030 0.000 0.302 498 S C -0.613 174.042 174.600 0.090 0.000 1.127 498 S CA -0.862 57.405 58.200 0.111 0.000 0.905 498 S CB 2.807 66.060 63.200 0.087 0.000 1.151 498 S HN 0.569 nan 8.310 nan 0.000 0.510 499 N N 1.677 120.424 118.700 0.077 0.000 2.569 499 N HA 0.365 5.087 4.740 -0.030 0.000 0.254 499 N C -2.061 173.471 175.510 0.036 0.000 1.004 499 N CA -2.253 50.830 53.050 0.054 0.000 0.904 499 N CB 1.692 40.204 38.487 0.043 0.000 1.165 499 N HN 0.387 nan 8.380 nan 0.000 0.513 500 P HA -0.083 nan 4.420 nan 0.000 0.223 500 P C 0.254 177.564 177.300 0.016 0.000 1.144 500 P CA 1.180 64.296 63.100 0.028 0.000 0.783 500 P CB 0.604 32.324 31.700 0.034 0.000 0.771 501 E N -0.866 119.343 120.200 0.015 0.000 2.452 501 E HA 0.089 4.421 4.350 -0.030 0.000 0.197 501 E C 0.447 177.041 176.600 -0.010 0.000 1.022 501 E CA -0.006 56.398 56.400 0.006 0.000 0.890 501 E CB 0.312 30.020 29.700 0.013 0.000 0.918 501 E HN 0.033 nan 8.360 nan 0.000 0.496 502 S N 1.044 116.733 115.700 -0.018 0.000 2.530 502 S HA 0.316 4.767 4.470 -0.030 0.000 0.322 502 S C -0.872 173.692 174.600 -0.060 0.000 1.085 502 S CA -0.676 57.495 58.200 -0.049 0.000 1.096 502 S CB 0.418 63.577 63.200 -0.068 0.000 0.988 502 S HN -0.045 nan 8.310 nan 0.000 0.466 503 K N 3.013 123.374 120.400 -0.065 0.000 2.259 503 K HA 0.409 4.710 4.320 -0.030 0.000 0.249 503 K C -0.228 176.319 176.600 -0.088 0.000 0.942 503 K CA -1.052 55.197 56.287 -0.063 0.000 0.816 503 K CB 1.120 33.597 32.500 -0.038 0.000 1.155 503 K HN 0.757 nan 8.250 nan 0.000 0.428 504 N N 0.356 119.005 118.700 -0.086 0.000 2.327 504 N HA 0.019 4.741 4.740 -0.030 0.000 0.257 504 N C 0.705 176.182 175.510 -0.056 0.000 1.281 504 N CA -0.472 52.523 53.050 -0.091 0.000 0.942 504 N CB 0.333 38.771 38.487 -0.081 0.000 1.199 504 N HN 0.585 nan 8.380 nan 0.000 0.532 505 R N -0.665 119.809 120.500 -0.044 0.000 2.241 505 R HA -0.001 4.321 4.340 -0.030 0.000 0.224 505 R C 0.611 176.898 176.300 -0.022 0.000 1.101 505 R CA 1.172 57.255 56.100 -0.029 0.000 0.995 505 R CB -0.703 29.585 30.300 -0.020 0.000 0.870 505 R HN 0.567 nan 8.270 nan 0.000 0.463 506 L N 1.076 122.285 121.223 -0.022 0.000 2.629 506 L HA 0.153 4.475 4.340 -0.030 0.000 0.230 506 L C 0.234 177.094 176.870 -0.018 0.000 1.151 506 L CA 0.032 54.861 54.840 -0.017 0.000 0.924 506 L CB -0.735 41.316 42.059 -0.014 0.000 1.137 506 L HN 0.484 nan 8.230 nan 0.000 0.457 507 N N 1.194 119.881 118.700 -0.022 0.000 2.747 507 N HA -0.203 4.519 4.740 -0.030 0.000 0.249 507 N C 0.028 175.528 175.510 -0.017 0.000 1.107 507 N CA 0.235 53.273 53.050 -0.020 0.000 0.707 507 N CB -0.168 38.310 38.487 -0.015 0.000 1.054 507 N HN 0.363 nan 8.380 nan 0.000 0.555 508 E N 0.361 120.549 120.200 -0.020 0.000 2.199 508 E HA 0.487 4.819 4.350 -0.030 0.000 0.269 508 E C -2.613 173.977 176.600 -0.017 0.000 0.899 508 E CA -2.076 54.316 56.400 -0.013 0.000 0.772 508 E CB 1.345 31.040 29.700 -0.010 0.000 1.155 508 E HN 0.032 nan 8.360 nan 0.000 0.408 509 P HA -0.054 nan 4.420 nan 0.000 0.265 509 P C -0.701 176.603 177.300 0.006 0.000 1.193 509 P CA -0.130 62.969 63.100 -0.000 0.000 0.765 509 P CB 0.350 32.060 31.700 0.017 0.000 0.823 510 V N 1.653 121.562 119.914 -0.009 0.000 2.811 510 V HA 0.788 4.890 4.120 -0.030 0.000 0.302 510 V C 0.529 176.712 176.094 0.148 0.000 1.063 510 V CA 0.212 62.525 62.300 0.020 0.000 1.088 510 V CB 0.489 32.238 31.823 -0.123 0.000 0.982 510 V HN 0.735 nan 8.190 nan 0.000 0.485 511 G N 2.185 111.122 108.800 0.227 0.000 2.600 511 G HA2 0.601 4.543 3.960 -0.030 0.000 0.293 511 G HA3 0.601 4.543 3.960 -0.030 0.000 0.293 511 G C -2.352 172.687 174.900 0.233 0.000 1.408 511 G CA -0.732 44.508 45.100 0.235 0.000 0.782 511 G HN 0.743 nan 8.290 nan 0.000 0.482 512 Y N -0.004 120.323 120.300 0.044 0.000 2.421 512 Y HA 0.578 5.110 4.550 -0.031 0.000 0.339 512 Y C 0.093 176.023 175.900 0.049 0.000 0.996 512 Y CA -0.804 57.307 58.100 0.019 0.000 1.046 512 Y CB 2.690 41.131 38.460 -0.032 0.000 1.226 512 Y HN 0.506 nan 8.280 nan 0.000 0.445 513 K N 4.336 124.786 120.400 0.083 0.000 2.213 513 K HA 0.503 4.805 4.320 -0.030 0.000 0.270 513 K C -1.517 175.117 176.600 0.058 0.000 1.002 513 K CA -0.806 55.498 56.287 0.028 0.000 0.868 513 K CB 0.835 33.290 32.500 -0.074 0.000 1.093 513 K HN 0.630 nan 8.250 nan 0.000 0.454 514 L N 5.159 126.416 121.223 0.056 0.000 2.265 514 L HA 0.275 4.597 4.340 -0.030 0.000 0.288 514 L C -1.349 175.521 176.870 0.000 0.000 1.058 514 L CA 0.091 55.003 54.840 0.119 0.000 0.809 514 L CB 0.465 42.607 42.059 0.138 0.000 1.179 514 L HN 0.662 nan 8.230 nan 0.000 0.429 515 H N 4.494 123.673 119.070 0.181 0.000 2.581 515 H HA 0.710 5.248 4.556 -0.031 0.000 0.308 515 H C -0.095 175.366 175.328 0.221 0.000 1.040 515 H CA -0.014 56.135 56.048 0.170 0.000 1.231 515 H CB 1.324 31.171 29.762 0.141 0.000 1.396 515 H HN 0.879 nan 8.280 nan 0.000 0.467 516 A N 2.222 125.240 122.820 0.330 0.000 2.279 516 A HA 0.221 4.523 4.320 -0.030 0.000 0.303 516 A C 0.361 178.226 177.584 0.468 0.000 1.108 516 A CA -0.571 51.693 52.037 0.378 0.000 0.830 516 A CB 0.519 19.776 19.000 0.427 0.000 1.106 516 A HN 1.023 nan 8.150 nan 0.000 0.493 517 H N 0.700 119.944 119.070 0.291 0.000 2.548 517 H HA 0.002 4.539 4.556 -0.031 0.000 0.268 517 H C -0.126 175.317 175.328 0.192 0.000 0.975 517 H CA 0.255 56.425 56.048 0.202 0.000 1.195 517 H CB 0.177 30.046 29.762 0.179 0.000 1.397 517 H HN 0.746 nan 8.280 nan 0.000 0.572 518 N N 1.965 120.885 118.700 0.366 0.000 2.735 518 N HA -0.164 4.558 4.740 -0.030 0.000 0.248 518 N C -0.587 175.053 175.510 0.217 0.000 1.083 518 N CA 0.540 53.754 53.050 0.274 0.000 0.703 518 N CB -0.852 37.759 38.487 0.206 0.000 1.005 518 N HN 0.518 nan 8.380 nan 0.000 0.550 519 Q N -0.144 119.797 119.800 0.236 0.000 2.382 519 Q HA 0.368 4.690 4.340 -0.030 0.000 0.229 519 Q C -1.839 174.241 176.000 0.132 0.000 1.006 519 Q CA -1.077 54.831 55.803 0.174 0.000 0.916 519 Q CB 0.179 29.031 28.738 0.190 0.000 1.235 519 Q HN 0.127 nan 8.270 nan 0.000 0.512 520 P HA -0.009 nan 4.420 nan 0.000 0.266 520 P C -0.258 177.063 177.300 0.035 0.000 1.195 520 P CA 0.270 63.404 63.100 0.058 0.000 0.768 520 P CB 0.462 32.185 31.700 0.039 0.000 0.838 521 T N 0.214 114.780 114.554 0.020 0.000 2.891 521 T HA 0.317 4.649 4.350 -0.030 0.000 0.294 521 T C 0.281 174.942 174.700 -0.064 0.000 1.065 521 T CA -0.930 61.159 62.100 -0.018 0.000 0.936 521 T CB 0.070 68.937 68.868 -0.002 0.000 1.415 521 T HN 0.179 nan 8.240 nan 0.000 0.572 522 L N 1.055 122.210 121.223 -0.113 0.000 2.667 522 L HA 0.110 4.432 4.340 -0.030 0.000 0.278 522 L C 0.817 177.639 176.870 -0.079 0.000 1.217 522 L CA 0.285 55.044 54.840 -0.134 0.000 0.935 522 L CB -0.535 41.417 42.059 -0.178 0.000 1.193 522 L HN 0.653 nan 8.230 nan 0.000 0.493 523 L N 4.945 126.124 121.223 -0.074 0.000 2.307 523 L HA 0.217 4.538 4.340 -0.030 0.000 0.211 523 L C 1.472 178.331 176.870 -0.019 0.000 1.099 523 L CA 0.275 55.095 54.840 -0.034 0.000 0.816 523 L CB -0.530 41.514 42.059 -0.025 0.000 0.952 523 L HN 0.846 nan 8.230 nan 0.000 0.455 524 A N 0.732 123.533 122.820 -0.032 0.000 2.583 524 A HA -0.126 4.176 4.320 -0.030 0.000 0.231 524 A C 0.322 177.905 177.584 -0.002 0.000 1.065 524 A CA -0.019 52.011 52.037 -0.011 0.000 0.760 524 A CB -0.087 18.903 19.000 -0.017 0.000 1.001 524 A HN 0.300 nan 8.150 nan 0.000 0.509 525 D N 1.408 121.816 120.400 0.013 0.000 2.472 525 D HA 0.041 4.663 4.640 -0.030 0.000 0.237 525 D C -1.463 174.841 176.300 0.006 0.000 1.141 525 D CA -0.978 53.030 54.000 0.014 0.000 0.875 525 D CB 0.783 41.598 40.800 0.024 0.000 1.192 525 D HN 0.155 nan 8.370 nan 0.000 0.450 526 P HA -0.048 nan 4.420 nan 0.000 0.218 526 P C 0.926 178.226 177.300 -0.000 0.000 1.146 526 P CA 1.032 64.132 63.100 -0.000 0.000 0.813 526 P CB 0.162 31.862 31.700 0.001 0.000 0.778 527 G N -1.063 107.739 108.800 0.004 0.000 3.141 527 G HA2 0.063 4.005 3.960 -0.030 0.000 0.218 527 G HA3 0.063 4.005 3.960 -0.030 0.000 0.218 527 G C 0.379 175.280 174.900 0.002 0.000 1.170 527 G CA 0.033 45.134 45.100 0.002 0.000 0.769 527 G HN 0.359 nan 8.290 nan 0.000 0.546 528 S N -0.793 114.911 115.700 0.007 0.000 2.614 528 S HA 0.322 4.774 4.470 -0.030 0.000 0.265 528 S C 1.561 176.147 174.600 -0.023 0.000 1.303 528 S CA 0.423 58.631 58.200 0.014 0.000 1.000 528 S CB 1.689 64.909 63.200 0.034 0.000 0.935 528 S HN 0.049 nan 8.310 nan 0.000 0.551 529 S N 0.267 115.929 115.700 -0.063 0.000 2.383 529 S HA -0.112 4.340 4.470 -0.030 0.000 0.227 529 S C 1.616 176.168 174.600 -0.080 0.000 1.026 529 S CA 0.994 59.095 58.200 -0.166 0.000 0.981 529 S CB -0.781 62.123 63.200 -0.494 0.000 0.818 529 S HN 0.694 nan 8.310 nan 0.000 0.472 530 I N 1.929 122.491 120.570 -0.012 0.000 2.439 530 I HA 0.132 4.284 4.170 -0.030 0.000 0.251 530 I C 2.253 178.374 176.117 0.006 0.000 1.139 530 I CA 1.168 62.491 61.300 0.038 0.000 1.438 530 I CB -0.799 37.221 38.000 0.034 0.000 1.085 530 I HN 0.292 nan 8.210 nan 0.000 0.427 531 A N 0.429 123.239 122.820 -0.017 0.000 2.019 531 A HA -0.162 4.140 4.320 -0.030 0.000 0.219 531 A C 2.413 179.986 177.584 -0.017 0.000 1.164 531 A CA 1.452 53.471 52.037 -0.030 0.000 0.644 531 A CB -0.536 18.451 19.000 -0.021 0.000 0.805 531 A HN 0.469 nan 8.150 nan 0.000 0.449 532 R N -1.034 119.458 120.500 -0.013 0.000 2.090 532 R HA 0.073 4.395 4.340 -0.030 0.000 0.219 532 R C 2.264 178.562 176.300 -0.005 0.000 1.100 532 R CA 0.992 57.084 56.100 -0.014 0.000 0.991 532 R CB -0.196 30.087 30.300 -0.028 0.000 0.893 532 R HN 0.425 nan 8.270 nan 0.000 0.443 533 R N 0.397 120.912 120.500 0.024 0.000 2.153 533 R HA 0.088 4.410 4.340 -0.030 0.000 0.218 533 R C 0.874 177.278 176.300 0.174 0.000 1.072 533 R CA 1.032 57.165 56.100 0.054 0.000 0.990 533 R CB 0.281 30.622 30.300 0.069 0.000 0.889 533 R HN 0.052 nan 8.270 nan 0.000 0.452 534 A N 0.176 123.105 122.820 0.181 0.000 2.985 534 A HA 0.509 4.811 4.320 -0.030 0.000 0.303 534 A C 1.116 178.620 177.584 -0.134 0.000 1.048 534 A CA -0.117 52.014 52.037 0.157 0.000 1.016 534 A CB 0.287 19.295 19.000 0.012 0.000 1.118 534 A HN 0.237 nan 8.150 nan 0.000 0.529 535 A N 0.390 123.196 122.820 -0.023 0.000 1.940 535 A HA -0.058 4.244 4.320 -0.030 0.000 0.219 535 A C 1.803 179.387 177.584 -0.000 0.000 1.176 535 A CA 1.851 53.880 52.037 -0.014 0.000 0.631 535 A CB -0.952 18.057 19.000 0.014 0.000 0.814 535 A HN 1.406 nan 8.150 nan 0.000 0.446 536 F N 0.026 119.844 119.950 -0.221 0.000 2.192 536 F HA -0.038 4.470 4.527 -0.031 0.000 0.301 536 F C 2.033 177.900 175.800 0.112 0.000 1.079 536 F CA 0.888 58.668 58.000 -0.368 0.000 1.303 536 F CB -0.978 37.682 39.000 -0.566 0.000 1.024 536 F HN 0.153 nan 8.300 nan 0.000 0.494 537 A N 0.423 122.518 122.820 -1.209 0.000 2.209 537 A HA -0.015 4.287 4.320 -0.030 0.000 0.212 537 A C 2.110 179.531 177.584 -0.272 0.000 1.158 537 A CA 1.340 52.869 52.037 -0.848 0.000 0.742 537 A CB -1.501 16.851 19.000 -1.080 0.000 0.790 537 A HN 0.596 nan 8.150 nan 0.000 0.472 538 T N -3.444 111.053 114.554 -0.095 0.000 3.088 538 T HA 0.172 4.504 4.350 -0.030 0.000 0.259 538 T C 0.631 175.346 174.700 0.024 0.000 1.122 538 T CA 0.283 62.372 62.100 -0.018 0.000 1.095 538 T CB 0.097 68.972 68.868 0.012 0.000 0.930 538 T HN 0.114 nan 8.240 nan 0.000 0.508 539 K N 1.158 121.625 120.400 0.112 0.000 2.426 539 K HA 0.383 4.685 4.320 -0.030 0.000 0.251 539 K C -0.453 176.201 176.600 0.089 0.000 0.941 539 K CA -0.482 55.795 56.287 -0.016 0.000 0.808 539 K CB 2.136 34.389 32.500 -0.412 0.000 1.265 539 K HN -0.041 nan 8.250 nan 0.000 0.432 540 D N 0.398 120.814 120.400 0.026 0.000 2.178 540 D HA -0.059 4.563 4.640 -0.030 0.000 0.202 540 D C 0.043 176.387 176.300 0.073 0.000 0.974 540 D CA 0.943 55.002 54.000 0.099 0.000 0.841 540 D CB 0.222 41.120 40.800 0.162 0.000 0.953 540 D HN 0.111 nan 8.370 nan 0.000 0.478 541 L N -0.682 120.436 121.223 -0.176 0.000 2.482 541 L HA 0.462 4.784 4.340 -0.030 0.000 0.263 541 L C -2.019 174.724 176.870 -0.213 0.000 0.957 541 L CA -0.633 54.084 54.840 -0.205 0.000 0.836 541 L CB 1.571 43.103 42.059 -0.878 0.000 1.324 541 L HN -0.125 nan 8.230 nan 0.000 0.406 542 W N 3.824 125.111 121.300 -0.021 0.000 2.936 542 W HA 0.796 5.438 4.660 -0.031 0.000 0.338 542 W C -1.212 175.398 176.519 0.153 0.000 1.121 542 W CA -0.855 56.510 57.345 0.032 0.000 1.209 542 W CB 2.021 31.471 29.460 -0.016 0.000 1.420 542 W HN 0.192 nan 8.180 nan 0.000 0.516 543 V N 2.485 122.607 119.914 0.347 0.000 2.525 543 V HA 0.682 4.784 4.120 -0.030 0.000 0.299 543 V C -0.126 176.154 176.094 0.310 0.000 1.034 543 V CA -0.790 61.700 62.300 0.317 0.000 0.863 543 V CB 1.416 33.346 31.823 0.177 0.000 0.999 543 V HN 0.603 nan 8.190 nan 0.000 0.423 544 T N 1.650 116.435 114.554 0.386 0.000 2.926 544 T HA 0.774 5.106 4.350 -0.030 0.000 0.289 544 T C -0.466 174.375 174.700 0.235 0.000 1.054 544 T CA -0.965 61.315 62.100 0.299 0.000 1.015 544 T CB 2.174 71.249 68.868 0.346 0.000 1.167 544 T HN 0.490 nan 8.240 nan 0.000 0.526 545 R N 0.718 121.313 120.500 0.158 0.000 2.308 545 R HA 0.359 4.681 4.340 -0.030 0.000 0.305 545 R C -0.899 175.464 176.300 0.106 0.000 1.053 545 R CA -1.003 55.173 56.100 0.126 0.000 0.957 545 R CB -0.503 29.846 30.300 0.081 0.000 1.022 545 R HN 0.778 nan 8.270 nan 0.000 0.461 546 Y N 3.137 123.447 120.300 0.018 0.000 2.712 546 Y HA 0.291 4.823 4.550 -0.031 0.000 0.333 546 Y C -0.792 175.067 175.900 -0.068 0.000 1.225 546 Y CA 0.826 58.907 58.100 -0.031 0.000 1.499 546 Y CB 0.472 38.889 38.460 -0.072 0.000 1.288 546 Y HN 0.734 nan 8.280 nan 0.000 0.575 547 A N 4.978 127.112 122.820 -1.143 0.000 2.465 547 A HA 0.303 4.604 4.320 -0.030 0.000 0.292 547 A C 0.056 177.018 177.584 -1.036 0.000 1.041 547 A CA -0.616 50.878 52.037 -0.905 0.000 0.718 547 A CB 0.934 19.653 19.000 -0.468 0.000 1.266 547 A HN 0.821 nan 8.150 nan 0.000 0.403 548 D N 0.981 120.937 120.400 -0.739 0.000 2.228 548 D HA -0.163 4.458 4.640 -0.030 0.000 0.203 548 D C 1.116 177.249 176.300 -0.277 0.000 0.988 548 D CA 2.177 55.956 54.000 -0.368 0.000 0.864 548 D CB 0.302 41.025 40.800 -0.128 0.000 0.928 548 D HN 0.714 nan 8.370 nan 0.000 0.469 549 D N -0.139 120.088 120.400 -0.288 0.000 2.369 549 D HA -0.057 4.564 4.640 -0.030 0.000 0.211 549 D C -0.277 175.848 176.300 -0.291 0.000 1.077 549 D CA 0.081 53.951 54.000 -0.217 0.000 0.842 549 D CB -0.184 40.536 40.800 -0.133 0.000 0.947 549 D HN 0.192 nan 8.370 nan 0.000 0.509 550 E N 1.042 120.976 120.200 -0.443 0.000 2.167 550 E HA 0.314 4.645 4.350 -0.030 0.000 0.247 550 E C 0.361 176.783 176.600 -0.296 0.000 0.961 550 E CA -0.286 55.740 56.400 -0.625 0.000 0.797 550 E CB 1.112 30.175 29.700 -1.061 0.000 1.182 550 E HN 0.151 nan 8.360 nan 0.000 0.437 551 R N 0.970 121.272 120.500 -0.331 0.000 2.146 551 R HA 0.111 4.433 4.340 -0.030 0.000 0.206 551 R C 0.013 175.972 176.300 -0.568 0.000 1.049 551 R CA 0.673 56.407 56.100 -0.610 0.000 1.029 551 R CB 0.343 29.947 30.300 -1.159 0.000 0.949 551 R HN 0.294 nan 8.270 nan 0.000 0.471 552 Y N 0.119 120.546 120.300 0.211 0.000 2.499 552 Y HA 0.313 4.846 4.550 -0.030 0.000 0.347 552 Y C -1.809 174.113 175.900 0.037 0.000 0.987 552 Y CA -3.233 54.965 58.100 0.164 0.000 1.044 552 Y CB 1.223 39.660 38.460 -0.039 0.000 1.245 552 Y HN -0.195 nan 8.280 nan 0.000 0.461 553 P HA -0.078 nan 4.420 nan 0.000 0.230 553 P C 0.590 177.618 177.300 -0.453 0.000 1.158 553 P CA 1.360 64.130 63.100 -0.550 0.000 0.769 553 P CB 0.162 31.433 31.700 -0.714 0.000 0.807 554 T N -4.991 109.400 114.554 -0.271 0.000 3.044 554 T HA 0.508 4.840 4.350 -0.030 0.000 0.260 554 T C 0.882 175.425 174.700 -0.261 0.000 1.019 554 T CA 0.131 62.095 62.100 -0.227 0.000 0.921 554 T CB 0.087 68.871 68.868 -0.140 0.000 1.053 554 T HN 0.325 nan 8.240 nan 0.000 0.533 555 G N 1.447 110.159 108.800 -0.147 0.000 2.712 555 G HA2 -0.145 3.797 3.960 -0.030 0.000 0.683 555 G HA3 -0.145 3.797 3.960 -0.030 0.000 0.683 555 G C -0.257 174.609 174.900 -0.058 0.000 1.320 555 G CA -0.125 44.913 45.100 -0.104 0.000 0.847 555 G HN 0.146 nan 8.290 nan 0.000 0.553 556 D N -0.577 119.739 120.400 -0.140 0.000 2.162 556 D HA 0.051 4.673 4.640 -0.030 0.000 0.203 556 D C 0.881 176.688 176.300 -0.821 0.000 0.967 556 D CA 1.468 55.203 54.000 -0.443 0.000 0.840 556 D CB 0.026 40.402 40.800 -0.706 0.000 0.972 556 D HN 0.218 nan 8.370 nan 0.000 0.482 557 F N 0.633 120.489 119.950 -0.156 0.000 2.363 557 F HA 0.200 4.709 4.527 -0.031 0.000 0.366 557 F C 1.191 176.892 175.800 -0.165 0.000 1.083 557 F CA -0.594 57.298 58.000 -0.179 0.000 1.176 557 F CB 1.187 40.082 39.000 -0.175 0.000 1.432 557 F HN -0.347 nan 8.300 nan 0.000 0.482 558 V N 0.014 119.841 119.914 -0.144 0.000 2.453 558 V HA -0.206 3.895 4.120 -0.030 0.000 0.247 558 V C 1.306 177.260 176.094 -0.233 0.000 1.048 558 V CA 0.850 62.974 62.300 -0.293 0.000 1.049 558 V CB -0.537 30.993 31.823 -0.488 0.000 0.672 558 V HN 0.645 nan 8.190 nan 0.000 0.457 559 N N 1.263 119.880 118.700 -0.139 0.000 2.365 559 N HA -0.068 4.654 4.740 -0.030 0.000 0.265 559 N C 0.514 175.992 175.510 -0.054 0.000 1.288 559 N CA 0.724 53.715 53.050 -0.099 0.000 0.869 559 N CB -0.222 38.219 38.487 -0.076 0.000 1.071 559 N HN 0.464 nan 8.380 nan 0.000 0.480 560 Q N 0.081 119.851 119.800 -0.049 0.000 2.461 560 Q HA -0.303 4.019 4.340 -0.030 0.000 0.273 560 Q C -0.796 175.177 176.000 -0.046 0.000 1.163 560 Q CA 0.787 56.567 55.803 -0.039 0.000 0.929 560 Q CB -1.452 27.258 28.738 -0.047 0.000 1.334 560 Q HN 0.649 nan 8.270 nan 0.000 0.499 561 H N 0.038 119.033 119.070 -0.126 0.000 2.562 561 H HA 0.189 4.726 4.556 -0.031 0.000 0.314 561 H C 1.268 176.524 175.328 -0.119 0.000 1.079 561 H CA 0.661 56.640 56.048 -0.115 0.000 1.349 561 H CB 1.092 30.780 29.762 -0.122 0.000 1.432 561 H HN 0.292 nan 8.280 nan 0.000 0.479 562 S N 3.213 118.816 115.700 -0.161 0.000 2.392 562 S HA -0.053 4.399 4.470 -0.030 0.000 0.232 562 S C 1.077 175.705 174.600 0.046 0.000 1.041 562 S CA 0.855 59.010 58.200 -0.074 0.000 1.026 562 S CB -0.202 62.910 63.200 -0.147 0.000 0.845 562 S HN 1.090 nan 8.310 nan 0.000 0.465 563 G N -1.617 107.337 108.800 0.256 0.000 2.347 563 G HA2 0.491 4.433 3.960 -0.030 0.000 0.477 563 G HA3 0.491 4.433 3.960 -0.030 0.000 0.477 563 G C 0.479 175.402 174.900 0.038 0.000 1.349 563 G CA 0.151 45.303 45.100 0.086 0.000 1.000 563 G HN 1.554 nan 8.290 nan 0.000 0.605 564 G N -1.251 107.521 108.800 -0.047 0.000 2.245 564 G HA2 0.178 4.120 3.960 -0.030 0.000 0.264 564 G HA3 0.178 4.120 3.960 -0.030 0.000 0.264 564 G C 1.253 176.045 174.900 -0.180 0.000 0.985 564 G CA 1.538 46.588 45.100 -0.083 0.000 0.625 564 G HN 2.542 nan 8.290 nan 0.000 0.536 565 A N -0.152 122.514 122.820 -0.257 0.000 2.386 565 A HA 0.761 5.063 4.320 -0.030 0.000 0.246 565 A C 1.935 179.218 177.584 -0.502 0.000 1.089 565 A CA 1.967 53.759 52.037 -0.408 0.000 0.790 565 A CB -0.004 18.567 19.000 -0.715 0.000 1.042 565 A HN 2.543 nan 8.150 nan 0.000 0.497 566 G N -0.869 107.514 108.800 -0.695 0.000 2.498 566 G HA2 -0.221 3.720 3.960 -0.030 0.000 0.245 566 G HA3 -0.221 3.720 3.960 -0.030 0.000 0.245 566 G C 0.845 174.748 174.900 -1.662 0.000 1.204 566 G CA 0.193 44.642 45.100 -1.086 0.000 0.933 566 G HN 1.178 nan 8.290 nan 0.000 0.574 567 L N 1.543 122.042 121.223 -1.206 0.000 2.034 567 L HA -0.152 4.170 4.340 -0.030 0.000 0.217 567 L C 0.328 176.845 176.870 -0.588 0.000 1.077 567 L CA 2.861 57.110 54.840 -0.985 0.000 0.769 567 L CB -1.493 39.743 42.059 -1.371 0.000 0.890 567 L HN 0.414 nan 8.230 nan 0.000 0.435 568 P HA -0.127 nan 4.420 nan 0.000 0.216 568 P C 1.745 178.949 177.300 -0.160 0.000 1.150 568 P CA 1.404 64.413 63.100 -0.151 0.000 0.837 568 P CB 0.111 31.738 31.700 -0.122 0.000 0.786 569 S N -1.931 113.577 115.700 -0.320 0.000 2.357 569 S HA -0.132 4.320 4.470 -0.030 0.000 0.221 569 S C 1.725 176.291 174.600 -0.056 0.000 1.031 569 S CA 1.046 59.126 58.200 -0.200 0.000 0.982 569 S CB -1.039 62.011 63.200 -0.250 0.000 0.853 569 S HN 0.094 nan 8.310 nan 0.000 0.458 570 Y N 1.842 122.074 120.300 -0.114 0.000 2.070 570 Y HA -0.050 4.482 4.550 -0.030 0.000 0.280 570 Y C 2.316 178.192 175.900 -0.039 0.000 1.148 570 Y CA -0.226 57.816 58.100 -0.097 0.000 1.125 570 Y CB -1.217 37.141 38.460 -0.170 0.000 0.975 570 Y HN 0.168 nan 8.280 nan 0.000 0.492 571 I N 0.243 120.894 120.570 0.134 0.000 2.502 571 I HA -0.279 3.873 4.170 -0.030 0.000 0.258 571 I C 2.346 178.518 176.117 0.091 0.000 1.172 571 I CA 1.460 62.839 61.300 0.133 0.000 1.430 571 I CB -1.618 36.500 38.000 0.196 0.000 1.086 571 I HN 0.201 nan 8.210 nan 0.000 0.440 572 A N -0.055 122.804 122.820 0.065 0.000 2.172 572 A HA -0.173 4.129 4.320 -0.030 0.000 0.216 572 A C 2.084 179.696 177.584 0.047 0.000 1.154 572 A CA 0.786 52.850 52.037 0.046 0.000 0.701 572 A CB -0.470 18.546 19.000 0.025 0.000 0.789 572 A HN 0.530 nan 8.150 nan 0.000 0.465 573 Q N -0.977 118.859 119.800 0.059 0.000 2.435 573 Q HA -0.058 4.264 4.340 -0.030 0.000 0.207 573 Q C 0.000 176.027 176.000 0.046 0.000 0.956 573 Q CA 0.350 56.182 55.803 0.048 0.000 0.917 573 Q CB -0.017 28.751 28.738 0.050 0.000 0.997 573 Q HN 0.572 nan 8.270 nan 0.000 0.497 574 D N 1.290 121.722 120.400 0.053 0.000 2.704 574 D HA -0.187 4.435 4.640 -0.030 0.000 0.232 574 D C -0.889 175.440 176.300 0.048 0.000 1.183 574 D CA 0.667 54.697 54.000 0.050 0.000 0.647 574 D CB -0.531 40.292 40.800 0.039 0.000 1.013 574 D HN 0.230 nan 8.370 nan 0.000 0.415 575 R N 0.387 120.920 120.500 0.055 0.000 2.577 575 R HA 0.352 4.674 4.340 -0.030 0.000 0.269 575 R C 0.218 176.552 176.300 0.057 0.000 1.084 575 R CA -0.655 55.476 56.100 0.051 0.000 1.163 575 R CB 0.435 30.765 30.300 0.050 0.000 1.100 575 R HN 0.159 nan 8.270 nan 0.000 0.547 576 D N 1.607 122.039 120.400 0.052 0.000 2.383 576 D HA 0.052 4.674 4.640 -0.030 0.000 0.252 576 D C 0.416 176.757 176.300 0.068 0.000 1.166 576 D CA -0.053 53.980 54.000 0.055 0.000 0.879 576 D CB 0.567 41.395 40.800 0.047 0.000 1.164 576 D HN 0.546 nan 8.370 nan 0.000 0.462 577 I N -0.186 120.429 120.570 0.074 0.000 3.966 577 I HA 0.359 4.511 4.170 -0.030 0.000 0.324 577 I C -0.014 176.153 176.117 0.084 0.000 1.517 577 I CA -0.531 60.822 61.300 0.089 0.000 1.117 577 I CB 0.526 38.588 38.000 0.104 0.000 1.190 577 I HN 0.078 nan 8.210 nan 0.000 0.466 578 D N 2.685 123.127 120.400 0.071 0.000 2.479 578 D HA 0.417 5.039 4.640 -0.030 0.000 0.218 578 D C 1.060 177.398 176.300 0.062 0.000 1.131 578 D CA 0.418 54.457 54.000 0.066 0.000 0.916 578 D CB 0.503 41.337 40.800 0.056 0.000 1.022 578 D HN 0.541 nan 8.370 nan 0.000 0.515 579 G N 3.075 111.916 108.800 0.069 0.000 2.325 579 G HA2 -0.173 3.769 3.960 -0.030 0.000 0.248 579 G HA3 -0.173 3.769 3.960 -0.030 0.000 0.248 579 G C -0.101 174.843 174.900 0.074 0.000 1.108 579 G CA -0.345 44.795 45.100 0.067 0.000 0.881 579 G HN 0.474 nan 8.290 nan 0.000 0.494 580 Q N -0.735 119.118 119.800 0.087 0.000 2.683 580 Q HA 0.421 4.743 4.340 -0.030 0.000 0.302 580 Q C -0.992 175.080 176.000 0.120 0.000 1.042 580 Q CA -0.910 54.949 55.803 0.093 0.000 0.773 580 Q CB 0.918 29.706 28.738 0.084 0.000 1.508 580 Q HN 0.207 nan 8.270 nan 0.000 0.459 581 D N 1.618 122.086 120.400 0.115 0.000 2.359 581 D HA 0.332 4.953 4.640 -0.030 0.000 0.250 581 D C -0.662 175.733 176.300 0.158 0.000 1.264 581 D CA -0.113 53.963 54.000 0.127 0.000 0.911 581 D CB -0.377 40.412 40.800 -0.017 0.000 1.056 581 D HN 0.350 nan 8.370 nan 0.000 0.499 582 I N 0.822 121.493 120.570 0.167 0.000 3.023 582 I HA 0.644 4.796 4.170 -0.030 0.000 0.312 582 I C -0.822 175.381 176.117 0.144 0.000 1.056 582 I CA -1.112 60.287 61.300 0.166 0.000 1.033 582 I CB 1.885 39.972 38.000 0.146 0.000 1.233 582 I HN -0.035 nan 8.210 nan 0.000 0.462 583 V N 3.178 123.180 119.914 0.147 0.000 2.588 583 V HA 0.550 4.652 4.120 -0.030 0.000 0.304 583 V C -0.404 175.709 176.094 0.032 0.000 1.042 583 V CA -0.743 61.565 62.300 0.014 0.000 0.877 583 V CB 1.757 33.540 31.823 -0.067 0.000 0.996 583 V HN 0.637 nan 8.190 nan 0.000 0.425 584 V N 3.613 123.477 119.914 -0.084 0.000 2.427 584 V HA 0.469 4.570 4.120 -0.030 0.000 0.286 584 V C -1.145 174.914 176.094 -0.058 0.000 1.034 584 V CA -0.444 61.877 62.300 0.035 0.000 0.893 584 V CB 1.632 33.462 31.823 0.011 0.000 0.982 584 V HN 0.922 nan 8.190 nan 0.000 0.452 585 W N 4.081 125.431 121.300 0.083 0.000 2.393 585 W HA 0.493 5.134 4.660 -0.031 0.000 0.315 585 W C -0.183 176.437 176.519 0.168 0.000 1.009 585 W CA -0.688 56.709 57.345 0.087 0.000 1.313 585 W CB 0.455 29.940 29.460 0.041 0.000 1.269 585 W HN 0.599 nan 8.180 nan 0.000 0.420 586 H N 1.666 120.821 119.070 0.143 0.000 2.519 586 H HA 0.512 5.050 4.556 -0.030 0.000 0.316 586 H C -0.279 175.209 175.328 0.267 0.000 1.065 586 H CA -0.160 55.929 56.048 0.067 0.000 1.264 586 H CB 0.990 30.595 29.762 -0.263 0.000 1.413 586 H HN 0.166 nan 8.280 nan 0.000 0.465 587 T N 7.234 121.787 114.554 -0.001 0.000 2.806 587 T HA 0.435 4.766 4.350 -0.030 0.000 0.290 587 T C -1.008 173.566 174.700 -0.209 0.000 0.966 587 T CA -0.216 61.885 62.100 0.001 0.000 1.060 587 T CB -0.251 68.713 68.868 0.161 0.000 0.927 587 T HN 0.506 nan 8.240 nan 0.000 0.485 588 F N -0.151 119.675 119.950 -0.208 0.000 2.650 588 F HA 0.834 5.343 4.527 -0.030 0.000 0.310 588 F C -0.278 175.601 175.800 0.131 0.000 1.112 588 F CA -1.110 56.824 58.000 -0.110 0.000 0.986 588 F CB 1.036 39.925 39.000 -0.184 0.000 1.285 588 F HN 0.810 nan 8.300 nan 0.000 0.440 589 G N 1.577 110.483 108.800 0.178 0.000 2.550 589 G HA2 0.593 4.534 3.960 -0.030 0.000 0.293 589 G HA3 0.593 4.534 3.960 -0.030 0.000 0.293 589 G C -2.493 172.518 174.900 0.184 0.000 1.402 589 G CA -1.142 44.071 45.100 0.189 0.000 0.784 589 G HN 0.829 nan 8.290 nan 0.000 0.482 590 L N 0.469 121.803 121.223 0.185 0.000 2.329 590 L HA 0.581 4.903 4.340 -0.030 0.000 0.279 590 L C -0.120 176.758 176.870 0.013 0.000 1.014 590 L CA -0.709 54.201 54.840 0.116 0.000 0.814 590 L CB 2.335 44.477 42.059 0.139 0.000 1.257 590 L HN 0.421 nan 8.230 nan 0.000 0.424 591 T N 0.816 115.327 114.554 -0.073 0.000 2.756 591 T HA 0.233 4.564 4.350 -0.030 0.000 0.290 591 T C -0.614 173.879 174.700 -0.345 0.000 0.985 591 T CA -0.236 61.709 62.100 -0.258 0.000 0.955 591 T CB 0.114 68.839 68.868 -0.239 0.000 0.930 591 T HN 0.422 nan 8.240 nan 0.000 0.451 592 H N 3.034 121.715 119.070 -0.647 0.000 2.541 592 H HA 0.394 4.933 4.556 -0.029 0.000 0.316 592 H C -1.119 173.758 175.328 -0.752 0.000 1.043 592 H CA -1.076 54.609 56.048 -0.605 0.000 1.232 592 H CB 0.351 29.761 29.762 -0.588 0.000 1.406 592 H HN 0.439 nan 8.280 nan 0.000 0.469 593 F N 6.641 126.548 119.950 -0.072 0.000 2.307 593 F HA 0.276 4.784 4.527 -0.032 0.000 0.369 593 F C -2.054 173.747 175.800 0.002 0.000 1.076 593 F CA -2.591 55.233 58.000 -0.294 0.000 1.149 593 F CB 0.849 39.551 39.000 -0.497 0.000 1.410 593 F HN 0.517 nan 8.300 nan 0.000 0.481 594 P HA 0.038 nan 4.420 nan 0.000 0.263 594 P C -0.349 177.072 177.300 0.202 0.000 1.175 594 P CA 0.273 63.413 63.100 0.068 0.000 0.761 594 P CB 0.574 32.276 31.700 0.003 0.000 0.794 595 R N 1.767 122.402 120.500 0.225 0.000 2.758 595 R HA 0.350 4.672 4.340 -0.030 0.000 0.265 595 R C 1.201 177.595 176.300 0.156 0.000 1.016 595 R CA -1.018 55.180 56.100 0.164 0.000 1.040 595 R CB 0.419 30.808 30.300 0.149 0.000 1.152 595 R HN 0.098 nan 8.270 nan 0.000 0.503 596 V N 1.338 121.319 119.914 0.113 0.000 2.392 596 V HA -0.232 3.870 4.120 -0.030 0.000 0.249 596 V C 1.502 177.699 176.094 0.170 0.000 1.059 596 V CA 1.892 64.267 62.300 0.124 0.000 1.051 596 V CB -0.545 31.324 31.823 0.076 0.000 0.658 596 V HN 0.706 nan 8.190 nan 0.000 0.455 597 E N 0.077 120.356 120.200 0.132 0.000 2.331 597 E HA -0.184 4.148 4.350 -0.030 0.000 0.199 597 E C 1.688 178.368 176.600 0.133 0.000 1.008 597 E CA 1.005 57.474 56.400 0.114 0.000 0.843 597 E CB -0.265 29.485 29.700 0.082 0.000 0.761 597 E HN 0.588 nan 8.360 nan 0.000 0.507 598 D N -1.030 119.485 120.400 0.192 0.000 2.347 598 D HA -0.079 4.543 4.640 -0.030 0.000 0.215 598 D C -0.155 176.292 176.300 0.244 0.000 0.976 598 D CA 0.332 54.462 54.000 0.215 0.000 0.884 598 D CB 0.085 41.069 40.800 0.306 0.000 0.915 598 D HN 0.222 nan 8.370 nan 0.000 0.526 599 W N 2.352 123.688 121.300 0.059 0.000 2.551 599 W HA 0.201 4.841 4.660 -0.033 0.000 0.330 599 W C -1.824 174.729 176.519 0.058 0.000 1.063 599 W CA -1.945 55.434 57.345 0.056 0.000 1.222 599 W CB 1.920 31.411 29.460 0.052 0.000 1.349 599 W HN -0.178 nan 8.180 nan 0.000 0.536 600 P HA 0.072 nan 4.420 nan 0.000 0.231 600 P C 0.032 176.881 177.300 -0.751 0.000 1.168 600 P CA 0.888 63.090 63.100 -1.496 0.000 0.779 600 P CB 1.406 32.520 31.700 -0.976 0.000 0.844 601 I N 0.557 120.877 120.570 -0.416 0.000 2.571 601 I HA 0.264 4.416 4.170 -0.030 0.000 0.289 601 I C -0.310 175.681 176.117 -0.210 0.000 1.115 601 I CA -1.793 59.264 61.300 -0.404 0.000 1.045 601 I CB 2.146 39.668 38.000 -0.796 0.000 1.238 601 I HN -0.246 nan 8.210 nan 0.000 0.424 602 M N 7.905 127.438 119.600 -0.111 0.000 2.233 602 M HA 0.578 5.039 4.480 -0.030 0.000 0.350 602 M C -2.600 173.673 176.300 -0.045 0.000 1.176 602 M CA -1.129 54.159 55.300 -0.019 0.000 1.150 602 M CB 0.182 32.828 32.600 0.077 0.000 1.530 602 M HN 0.215 nan 8.290 nan 0.000 0.459 603 P HA 0.178 nan 4.420 nan 0.000 0.275 603 P C -0.612 176.677 177.300 -0.019 0.000 1.228 603 P CA -0.513 62.572 63.100 -0.025 0.000 0.786 603 P CB 0.831 32.525 31.700 -0.011 0.000 0.927 604 V N 3.119 123.025 119.914 -0.013 0.000 2.694 604 V HA -0.011 4.090 4.120 -0.030 0.000 0.306 604 V C 0.559 176.637 176.094 -0.028 0.000 1.054 604 V CA 1.138 63.436 62.300 -0.003 0.000 1.161 604 V CB 0.200 32.038 31.823 0.025 0.000 0.916 604 V HN 0.609 nan 8.190 nan 0.000 0.490 605 D N 2.040 122.412 120.400 -0.047 0.000 2.490 605 D HA 0.707 5.329 4.640 -0.030 0.000 0.232 605 D C -0.366 175.899 176.300 -0.058 0.000 1.053 605 D CA -0.179 53.783 54.000 -0.062 0.000 0.914 605 D CB 2.404 43.139 40.800 -0.109 0.000 1.431 605 D HN 0.722 nan 8.370 nan 0.000 0.483 606 T N -1.526 113.000 114.554 -0.047 0.000 2.901 606 T HA 0.775 5.106 4.350 -0.030 0.000 0.293 606 T C -0.940 173.766 174.700 0.009 0.000 1.084 606 T CA -0.781 61.285 62.100 -0.056 0.000 1.008 606 T CB 1.517 70.339 68.868 -0.077 0.000 1.170 606 T HN 0.264 nan 8.240 nan 0.000 0.509 607 V N -0.460 119.447 119.914 -0.012 0.000 3.242 607 V HA 0.891 4.992 4.120 -0.030 0.000 0.298 607 V C -0.170 175.886 176.094 -0.064 0.000 1.352 607 V CA 0.546 62.914 62.300 0.114 0.000 1.052 607 V CB 1.718 33.651 31.823 0.183 0.000 1.101 607 V HN 1.731 nan 8.190 nan 0.000 0.446 608 G N 2.251 110.861 108.800 -0.315 0.000 2.392 608 G HA2 0.650 4.592 3.960 -0.030 0.000 0.260 608 G HA3 0.650 4.592 3.960 -0.030 0.000 0.260 608 G C -1.455 172.860 174.900 -0.975 0.000 1.226 608 G CA 0.250 44.963 45.100 -0.644 0.000 0.913 608 G HN 1.980 nan 8.290 nan 0.000 0.483 609 F N -1.030 118.517 119.950 -0.670 0.000 2.858 609 F HA 0.848 5.357 4.527 -0.031 0.000 0.319 609 F C -1.094 174.664 175.800 -0.070 0.000 1.166 609 F CA -0.908 56.881 58.000 -0.352 0.000 0.899 609 F CB 1.391 40.207 39.000 -0.308 0.000 1.332 609 F HN 0.851 nan 8.300 nan 0.000 0.461 610 K N 0.852 121.371 120.400 0.199 0.000 2.555 610 K HA 0.844 5.146 4.320 -0.030 0.000 0.279 610 K C -2.444 174.375 176.600 0.366 0.000 0.986 610 K CA -1.065 55.326 56.287 0.174 0.000 0.880 610 K CB 2.663 35.235 32.500 0.121 0.000 1.474 610 K HN 0.722 nan 8.250 nan 0.000 0.433 611 L N 1.297 122.737 121.223 0.361 0.000 2.410 611 L HA 0.562 4.883 4.340 -0.030 0.000 0.270 611 L C -0.698 176.422 176.870 0.416 0.000 0.983 611 L CA -0.528 54.565 54.840 0.421 0.000 0.822 611 L CB 2.128 44.466 42.059 0.465 0.000 1.285 611 L HN 0.589 nan 8.230 nan 0.000 0.409 612 R N 3.058 123.721 120.500 0.271 0.000 2.711 612 R HA 0.592 4.914 4.340 -0.030 0.000 0.284 612 R C -2.575 173.463 176.300 -0.437 0.000 0.968 612 R CA -1.902 54.223 56.100 0.041 0.000 0.924 612 R CB 1.586 31.935 30.300 0.082 0.000 1.162 612 R HN 0.308 nan 8.270 nan 0.000 0.465 613 P HA -0.022 nan 4.420 nan 0.000 0.268 613 P C -0.817 176.272 177.300 -0.353 0.000 1.205 613 P CA 0.117 62.595 63.100 -1.037 0.000 0.771 613 P CB 0.845 32.269 31.700 -0.460 0.000 0.858 614 E N 1.824 121.883 120.200 -0.235 0.000 2.675 614 E HA 0.438 4.770 4.350 -0.030 0.000 0.236 614 E C 0.699 177.300 176.600 0.001 0.000 1.059 614 E CA -0.394 55.970 56.400 -0.060 0.000 0.775 614 E CB -0.536 29.145 29.700 -0.031 0.000 1.356 614 E HN 0.677 nan 8.360 nan 0.000 0.403 615 G N 3.514 112.326 108.800 0.021 0.000 2.179 615 G HA2 -0.370 3.572 3.960 -0.030 0.000 0.257 615 G HA3 -0.370 3.572 3.960 -0.030 0.000 0.257 615 G C 0.553 175.460 174.900 0.013 0.000 1.010 615 G CA 0.465 45.579 45.100 0.023 0.000 0.736 615 G HN 0.543 nan 8.290 nan 0.000 0.513 616 F N 0.157 119.997 119.950 -0.183 0.000 2.128 616 F HA 0.439 4.947 4.527 -0.030 0.000 0.295 616 F C 1.369 176.901 175.800 -0.446 0.000 1.100 616 F CA 0.687 58.480 58.000 -0.345 0.000 1.260 616 F CB -0.005 38.679 39.000 -0.527 0.000 1.009 616 F HN 0.124 nan 8.300 nan 0.000 0.476 617 F N 0.420 120.387 119.950 0.029 0.000 2.411 617 F HA 0.219 4.728 4.527 -0.031 0.000 0.324 617 F C 1.394 177.154 175.800 -0.067 0.000 1.086 617 F CA -0.754 57.209 58.000 -0.062 0.000 1.028 617 F CB 0.315 39.297 39.000 -0.031 0.000 1.284 617 F HN -0.258 nan 8.300 nan 0.000 0.501 618 D N 0.098 120.582 120.400 0.141 0.000 2.349 618 D HA 0.069 4.691 4.640 -0.030 0.000 0.215 618 D C 0.297 176.631 176.300 0.057 0.000 1.016 618 D CA 0.566 54.600 54.000 0.057 0.000 0.870 618 D CB 0.248 41.063 40.800 0.026 0.000 0.917 618 D HN 0.520 nan 8.370 nan 0.000 0.524 619 R N -2.154 118.396 120.500 0.083 0.000 2.832 619 R HA 0.203 4.524 4.340 -0.030 0.000 0.283 619 R C -0.772 175.531 176.300 0.005 0.000 0.998 619 R CA -0.749 55.370 56.100 0.033 0.000 0.843 619 R CB 0.346 30.651 30.300 0.008 0.000 1.332 619 R HN -0.176 nan 8.270 nan 0.000 0.490 620 S N 1.061 116.741 115.700 -0.034 0.000 2.593 620 S HA 0.078 4.530 4.470 -0.030 0.000 0.300 620 S C -1.238 173.258 174.600 -0.173 0.000 1.267 620 S CA -0.686 57.462 58.200 -0.088 0.000 1.065 620 S CB 0.456 63.624 63.200 -0.054 0.000 0.807 620 S HN 0.518 nan 8.310 nan 0.000 0.499 621 P HA 0.105 nan 4.420 nan 0.000 0.255 621 P C 0.500 177.675 177.300 -0.208 0.000 1.248 621 P CA 0.239 63.038 63.100 -0.500 0.000 0.807 621 P CB -0.171 30.722 31.700 -1.345 0.000 1.150 622 V N -4.044 115.802 119.914 -0.113 0.000 3.006 622 V HA 0.248 4.350 4.120 -0.030 0.000 0.357 622 V C 1.532 177.644 176.094 0.029 0.000 1.377 622 V CA -0.120 62.169 62.300 -0.018 0.000 1.198 622 V CB -0.750 31.087 31.823 0.022 0.000 1.216 622 V HN -0.130 nan 8.190 nan 0.000 0.520 623 L N 1.230 122.461 121.223 0.013 0.000 2.376 623 L HA 0.029 4.351 4.340 -0.030 0.000 0.219 623 L C 2.083 178.991 176.870 0.062 0.000 1.133 623 L CA 1.481 56.351 54.840 0.050 0.000 0.816 623 L CB -0.225 41.843 42.059 0.014 0.000 0.933 623 L HN 0.578 nan 8.230 nan 0.000 0.449 624 D N -0.725 119.693 120.400 0.031 0.000 2.328 624 D HA -0.002 4.620 4.640 -0.030 0.000 0.221 624 D C 0.611 176.920 176.300 0.015 0.000 1.072 624 D CA -0.010 54.003 54.000 0.022 0.000 0.850 624 D CB -0.148 40.654 40.800 0.003 0.000 0.922 624 D HN -0.014 nan 8.370 nan 0.000 0.516 625 V N 3.179 123.108 119.914 0.025 0.000 2.572 625 V HA 0.180 4.281 4.120 -0.030 0.000 0.291 625 V C -1.595 174.501 176.094 0.003 0.000 1.039 625 V CA -1.009 61.296 62.300 0.008 0.000 1.055 625 V CB 1.026 32.861 31.823 0.020 0.000 0.969 625 V HN 0.186 nan 8.190 nan 0.000 0.482 626 P HA 0.232 nan 4.420 nan 0.000 0.276 626 P C 0.342 177.611 177.300 -0.051 0.000 1.252 626 P CA -0.391 62.697 63.100 -0.021 0.000 0.802 626 P CB 1.354 33.045 31.700 -0.015 0.000 1.035 627 A N 1.346 124.127 122.820 -0.065 0.000 2.070 627 A HA -0.120 4.182 4.320 -0.030 0.000 0.220 627 A C 0.885 178.431 177.584 -0.065 0.000 1.159 627 A CA 0.795 52.773 52.037 -0.099 0.000 0.656 627 A CB -1.089 17.858 19.000 -0.087 0.000 0.800 627 A HN 0.717 nan 8.150 nan 0.000 0.453 628 N N 0.000 118.678 118.700 -0.037 0.000 1.763 628 N HA 0.000 4.722 4.740 -0.030 0.000 0.220 628 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 628 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667