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 1wmp_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 IGNYDYGFYW 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 0.000 177.568 177.584 -0.027 0.000 1.274 9 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 9 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 10 S N 1.504 117.196 115.700 -0.013 0.000 2.546 10 S HA 0.322 4.772 4.470 -0.034 0.000 0.290 10 S C -1.397 173.155 174.600 -0.079 0.000 1.290 10 S CA -0.210 57.987 58.200 -0.004 0.000 1.069 10 S CB 0.783 64.021 63.200 0.064 0.000 0.846 10 S HN 0.190 nan 8.310 nan 0.000 0.495 11 P HA 0.098 nan 4.420 nan 0.000 0.237 11 P C -0.067 176.830 177.300 -0.672 0.000 1.178 11 P CA 0.760 63.581 63.100 -0.464 0.000 0.766 11 P CB 0.054 31.373 31.700 -0.634 0.000 0.876 12 F N -0.521 119.354 119.950 -0.125 0.000 2.639 12 F HA 0.203 4.710 4.527 -0.035 0.000 0.302 12 F C 1.354 177.085 175.800 -0.114 0.000 1.097 12 F CA -0.767 57.116 58.000 -0.195 0.000 1.294 12 F CB -0.320 38.553 39.000 -0.212 0.000 1.027 12 F HN -0.185 nan 8.300 nan 0.000 0.550 13 R N 0.615 121.132 120.500 0.029 0.000 2.784 13 R HA 0.300 4.620 4.340 -0.034 0.000 0.266 13 R C -0.222 176.095 176.300 0.029 0.000 1.044 13 R CA -0.458 55.668 56.100 0.044 0.000 1.151 13 R CB 0.470 30.785 30.300 0.025 0.000 1.037 13 R HN 0.153 nan 8.270 nan 0.000 0.478 14 L N 1.492 122.746 121.223 0.051 0.000 2.439 14 L HA 0.209 4.528 4.340 -0.034 0.000 0.269 14 L C 0.713 177.621 176.870 0.063 0.000 1.179 14 L CA -0.406 54.468 54.840 0.058 0.000 0.828 14 L CB 0.809 42.903 42.059 0.060 0.000 1.106 14 L HN 0.851 nan 8.230 nan 0.000 0.467 15 A N 2.318 125.190 122.820 0.087 0.000 2.511 15 A HA 0.348 4.647 4.320 -0.034 0.000 0.242 15 A C 0.384 178.041 177.584 0.122 0.000 1.069 15 A CA -0.210 51.927 52.037 0.166 0.000 0.763 15 A CB 0.101 19.260 19.000 0.265 0.000 1.001 15 A HN 0.765 nan 8.150 nan 0.000 0.498 16 S N 1.393 117.161 115.700 0.112 0.000 2.693 16 S HA 0.601 5.050 4.470 -0.034 0.000 0.276 16 S C 1.167 175.783 174.600 0.028 0.000 1.192 16 S CA -0.198 58.035 58.200 0.054 0.000 0.994 16 S CB 1.483 64.706 63.200 0.038 0.000 1.012 16 S HN 1.530 nan 8.310 nan 0.000 0.550 17 A N 1.213 124.039 122.820 0.009 0.000 1.969 17 A HA 0.174 4.474 4.320 -0.034 0.000 0.218 17 A C 2.093 179.658 177.584 -0.031 0.000 1.169 17 A CA 1.535 53.567 52.037 -0.008 0.000 0.635 17 A CB -1.700 17.297 19.000 -0.005 0.000 0.810 17 A HN 1.108 nan 8.150 nan 0.000 0.445 18 G N -0.356 108.428 108.800 -0.027 0.000 2.402 18 G HA2 -0.197 3.742 3.960 -0.034 0.000 0.216 18 G HA3 -0.197 3.742 3.960 -0.034 0.000 0.216 18 G C 1.401 176.248 174.900 -0.087 0.000 1.162 18 G CA 0.924 45.998 45.100 -0.044 0.000 0.777 18 G HN 0.651 nan 8.290 nan 0.000 0.539 19 E N 0.015 120.159 120.200 -0.093 0.000 2.110 19 E HA -0.077 4.252 4.350 -0.034 0.000 0.193 19 E C 2.474 178.815 176.600 -0.431 0.000 0.988 19 E CA 0.642 56.910 56.400 -0.219 0.000 0.804 19 E CB -0.138 29.513 29.700 -0.081 0.000 0.745 19 E HN 0.494 nan 8.360 nan 0.000 0.458 20 I N 0.739 121.132 120.570 -0.295 0.000 2.252 20 I HA -0.216 3.933 4.170 -0.034 0.000 0.245 20 I C 2.338 178.335 176.117 -0.199 0.000 1.102 20 I CA 0.686 61.816 61.300 -0.283 0.000 1.385 20 I CB -0.116 37.809 38.000 -0.125 0.000 1.064 20 I HN -0.016 nan 8.210 nan 0.000 0.414 21 S N 0.230 115.850 115.700 -0.133 0.000 2.382 21 S HA -0.213 4.236 4.470 -0.034 0.000 0.228 21 S C 1.894 176.430 174.600 -0.106 0.000 1.027 21 S CA 1.354 59.500 58.200 -0.089 0.000 0.991 21 S CB -0.207 62.958 63.200 -0.059 0.000 0.823 21 S HN 0.370 nan 8.310 nan 0.000 0.469 22 E N 1.232 121.347 120.200 -0.142 0.000 2.072 22 E HA -0.073 4.257 4.350 -0.034 0.000 0.191 22 E C 1.909 178.415 176.600 -0.157 0.000 0.985 22 E CA 0.867 57.186 56.400 -0.134 0.000 0.801 22 E CB -0.350 29.265 29.700 -0.141 0.000 0.750 22 E HN 0.242 nan 8.360 nan 0.000 0.452 23 V N 0.876 120.639 119.914 -0.252 0.000 2.407 23 V HA -0.279 3.821 4.120 -0.034 0.000 0.248 23 V C 2.547 178.569 176.094 -0.120 0.000 1.055 23 V CA 2.204 64.367 62.300 -0.229 0.000 1.049 23 V CB -0.597 31.010 31.823 -0.360 0.000 0.662 23 V HN 0.406 nan 8.190 nan 0.000 0.455 24 Q N 0.144 119.882 119.800 -0.105 0.000 2.050 24 Q HA -0.168 4.152 4.340 -0.034 0.000 0.202 24 Q C 2.254 178.235 176.000 -0.032 0.000 0.980 24 Q CA 2.112 57.887 55.803 -0.047 0.000 0.840 24 Q CB -0.481 28.239 28.738 -0.031 0.000 0.898 24 Q HN 0.631 nan 8.270 nan 0.000 0.424 25 G N 1.061 109.834 108.800 -0.044 0.000 2.421 25 G HA2 -0.222 3.717 3.960 -0.034 0.000 0.216 25 G HA3 -0.222 3.717 3.960 -0.034 0.000 0.216 25 G C 1.428 176.312 174.900 -0.027 0.000 1.171 25 G CA 0.892 45.973 45.100 -0.032 0.000 0.775 25 G HN 0.372 nan 8.290 nan 0.000 0.543 26 I N 0.434 120.982 120.570 -0.037 0.000 2.163 26 I HA -0.177 3.972 4.170 -0.034 0.000 0.243 26 I C 2.760 178.870 176.117 -0.012 0.000 1.085 26 I CA 0.845 62.129 61.300 -0.026 0.000 1.347 26 I CB -0.283 37.697 38.000 -0.033 0.000 1.044 26 I HN 0.136 nan 8.210 nan 0.000 0.408 27 L N 0.051 121.267 121.223 -0.011 0.000 2.017 27 L HA -0.205 4.115 4.340 -0.034 0.000 0.208 27 L C 2.820 179.695 176.870 0.009 0.000 1.073 27 L CA 1.429 56.272 54.840 0.005 0.000 0.745 27 L CB -0.630 41.435 42.059 0.011 0.000 0.894 27 L HN 0.169 nan 8.230 nan 0.000 0.432 28 R N -0.504 119.999 120.500 0.006 0.000 2.080 28 R HA -0.151 4.169 4.340 -0.034 0.000 0.236 28 R C 2.292 178.594 176.300 0.003 0.000 1.137 28 R CA 2.066 58.171 56.100 0.008 0.000 0.943 28 R CB -0.699 29.604 30.300 0.004 0.000 0.846 28 R HN 0.305 nan 8.270 nan 0.000 0.431 29 T N 0.562 115.115 114.554 -0.002 0.000 2.833 29 T HA -0.119 4.211 4.350 -0.034 0.000 0.269 29 T C 1.626 176.326 174.700 0.001 0.000 1.054 29 T CA 1.351 63.450 62.100 -0.002 0.000 1.135 29 T CB -0.107 68.757 68.868 -0.006 0.000 0.869 29 T HN 0.372 nan 8.240 nan 0.000 0.466 30 A N 0.286 123.108 122.820 0.003 0.000 2.238 30 A HA 0.502 4.801 4.320 -0.034 0.000 0.208 30 A C 1.925 179.513 177.584 0.008 0.000 1.177 30 A CA 0.781 52.822 52.037 0.006 0.000 0.804 30 A CB -0.768 18.238 19.000 0.010 0.000 0.823 30 A HN 0.690 nan 8.150 nan 0.000 0.482 31 G N -1.062 107.742 108.800 0.008 0.000 2.153 31 G HA2 -0.257 3.682 3.960 -0.034 0.000 0.252 31 G HA3 -0.257 3.682 3.960 -0.034 0.000 0.252 31 G C 0.597 175.504 174.900 0.012 0.000 0.994 31 G CA 0.554 45.659 45.100 0.008 0.000 0.698 31 G HN 0.521 nan 8.290 nan 0.000 0.521 32 L N -1.212 120.021 121.223 0.017 0.000 2.592 32 L HA 0.401 4.721 4.340 -0.034 0.000 0.227 32 L C 1.271 178.158 176.870 0.029 0.000 1.127 32 L CA 0.088 54.942 54.840 0.023 0.000 0.884 32 L CB 0.358 42.434 42.059 0.029 0.000 1.065 32 L HN 0.200 nan 8.230 nan 0.000 0.457 33 L N 0.853 122.094 121.223 0.030 0.000 2.892 33 L HA 0.477 4.796 4.340 -0.034 0.000 0.251 33 L C 0.773 177.671 176.870 0.046 0.000 1.339 33 L CA -0.236 54.631 54.840 0.045 0.000 0.900 33 L CB 0.203 42.292 42.059 0.050 0.000 1.246 33 L HN -0.062 nan 8.230 nan 0.000 0.524 34 G N 0.707 109.527 108.800 0.035 0.000 2.651 34 G HA2 0.275 4.214 3.960 -0.034 0.000 0.260 34 G HA3 0.275 4.214 3.960 -0.034 0.000 0.260 34 G C -1.657 173.272 174.900 0.047 0.000 1.216 34 G CA -0.772 44.346 45.100 0.029 0.000 0.913 34 G HN 0.371 nan 8.290 nan 0.000 0.535 35 P HA -0.131 nan 4.420 nan 0.000 0.217 35 P C 1.659 179.003 177.300 0.074 0.000 1.148 35 P CA 1.501 64.630 63.100 0.047 0.000 0.828 35 P CB 0.248 31.959 31.700 0.019 0.000 0.783 36 E N -1.052 119.171 120.200 0.039 0.000 2.478 36 E HA -0.021 4.309 4.350 -0.034 0.000 0.194 36 E C 0.200 176.797 176.600 -0.005 0.000 1.045 36 E CA 0.648 57.056 56.400 0.015 0.000 0.868 36 E CB -0.237 29.450 29.700 -0.023 0.000 0.885 36 E HN 0.119 nan 8.360 nan 0.000 0.505 37 K N 1.546 121.963 120.400 0.029 0.000 2.144 37 K HA 0.370 4.669 4.320 -0.034 0.000 0.270 37 K C 0.266 176.893 176.600 0.046 0.000 1.005 37 K CA -0.480 55.817 56.287 0.016 0.000 0.932 37 K CB 1.146 33.667 32.500 0.034 0.000 1.021 37 K HN -0.032 nan 8.250 nan 0.000 0.462 38 R N 1.468 121.977 120.500 0.016 0.000 2.651 38 R HA 0.448 4.767 4.340 -0.034 0.000 0.278 38 R C -0.218 176.095 176.300 0.022 0.000 1.010 38 R CA -0.733 55.344 56.100 -0.038 0.000 0.896 38 R CB 1.284 31.563 30.300 -0.035 0.000 1.211 38 R HN 0.570 nan 8.270 nan 0.000 0.456 39 I N 2.236 122.788 120.570 -0.030 0.000 2.291 39 I HA 0.132 4.282 4.170 -0.034 0.000 0.292 39 I C 1.262 177.407 176.117 0.045 0.000 1.064 39 I CA -0.010 61.308 61.300 0.029 0.000 1.269 39 I CB 1.517 39.513 38.000 -0.007 0.000 1.418 39 I HN 0.723 nan 8.210 nan 0.000 0.485 40 A N 6.699 129.608 122.820 0.148 0.000 2.132 40 A HA 0.020 4.320 4.320 -0.034 0.000 0.213 40 A C 0.281 178.019 177.584 0.256 0.000 1.154 40 A CA 0.809 52.947 52.037 0.168 0.000 0.753 40 A CB 0.150 19.268 19.000 0.197 0.000 0.826 40 A HN 0.690 nan 8.150 nan 0.000 0.469 41 Y N -2.161 118.187 120.300 0.079 0.000 2.465 41 Y HA 0.520 5.050 4.550 -0.035 0.000 0.323 41 Y C -1.984 173.842 175.900 -0.123 0.000 1.191 41 Y CA -1.151 56.917 58.100 -0.053 0.000 1.082 41 Y CB 0.949 39.316 38.460 -0.155 0.000 1.334 41 Y HN 0.141 nan 8.280 nan 0.000 0.449 42 L N 5.495 126.098 121.223 -1.033 0.000 2.516 42 L HA 0.976 5.295 4.340 -0.034 0.000 0.267 42 L C -1.215 175.139 176.870 -0.860 0.000 0.957 42 L CA -0.195 54.210 54.840 -0.725 0.000 0.860 42 L CB 1.916 43.822 42.059 -0.255 0.000 1.265 42 L HN 0.953 nan 8.230 nan 0.000 0.403 43 G N 2.923 111.343 108.800 -0.632 0.000 2.718 43 G HA2 0.478 4.417 3.960 -0.034 0.000 0.295 43 G HA3 0.478 4.417 3.960 -0.034 0.000 0.295 43 G C -1.841 172.862 174.900 -0.328 0.000 1.421 43 G CA -0.571 44.309 45.100 -0.367 0.000 0.902 43 G HN 0.496 nan 8.290 nan 0.000 0.501 44 V N 1.948 121.533 119.914 -0.548 0.000 2.614 44 V HA 0.517 4.617 4.120 -0.034 0.000 0.291 44 V C 0.238 176.077 176.094 -0.424 0.000 1.049 44 V CA -0.488 61.251 62.300 -0.935 0.000 1.038 44 V CB 0.664 31.927 31.823 -0.934 0.000 0.980 44 V HN 0.562 nan 8.190 nan 0.000 0.481 45 L N 5.806 126.813 121.223 -0.360 0.000 2.349 45 L HA 0.401 4.720 4.340 -0.034 0.000 0.275 45 L C 0.151 176.919 176.870 -0.170 0.000 1.115 45 L CA -0.561 54.171 54.840 -0.179 0.000 0.820 45 L CB 0.822 42.810 42.059 -0.119 0.000 1.135 45 L HN 0.628 nan 8.230 nan 0.000 0.445 46 D N 3.096 123.444 120.400 -0.088 0.000 2.357 46 D HA 0.209 4.829 4.640 -0.034 0.000 0.242 46 D C -2.010 174.236 176.300 -0.089 0.000 1.153 46 D CA -0.920 53.041 54.000 -0.065 0.000 0.918 46 D CB 0.371 41.221 40.800 0.083 0.000 1.181 46 D HN 0.253 nan 8.370 nan 0.000 0.435 47 P HA 0.208 nan 4.420 nan 0.000 0.268 47 P C -0.798 176.478 177.300 -0.039 0.000 1.205 47 P CA -0.165 62.853 63.100 -0.137 0.000 0.771 47 P CB 0.578 32.138 31.700 -0.234 0.000 0.858 48 A N 3.355 126.153 122.820 -0.037 0.000 2.313 48 A HA 0.294 4.594 4.320 -0.034 0.000 0.261 48 A C 0.333 177.898 177.584 -0.032 0.000 1.090 48 A CA -0.436 51.595 52.037 -0.010 0.000 0.807 48 A CB 0.213 19.207 19.000 -0.011 0.000 1.055 48 A HN 0.386 nan 8.150 nan 0.000 0.492 49 R N 0.257 120.722 120.500 -0.058 0.000 2.446 49 R HA 0.369 4.689 4.340 -0.034 0.000 0.314 49 R C 0.378 176.636 176.300 -0.070 0.000 1.003 49 R CA 1.144 57.163 56.100 -0.134 0.000 1.018 49 R CB -0.520 29.646 30.300 -0.224 0.000 0.945 49 R HN 1.556 nan 8.270 nan 0.000 0.419 50 G N 1.321 110.097 108.800 -0.041 0.000 2.594 50 G HA2 0.030 3.969 3.960 -0.034 0.000 0.422 50 G HA3 0.030 3.969 3.960 -0.034 0.000 0.422 50 G C 0.387 175.288 174.900 0.001 0.000 1.190 50 G CA -0.278 44.814 45.100 -0.013 0.000 1.234 50 G HN 0.573 nan 8.290 nan 0.000 0.584 51 A N 0.537 123.371 122.820 0.022 0.000 2.216 51 A HA 0.369 4.668 4.320 -0.034 0.000 0.214 51 A C 2.585 180.174 177.584 0.008 0.000 1.160 51 A CA 2.297 54.348 52.037 0.023 0.000 0.725 51 A CB -0.248 18.779 19.000 0.044 0.000 0.784 51 A HN 1.959 nan 8.150 nan 0.000 0.472 52 G N 0.525 109.329 108.800 0.005 0.000 2.462 52 G HA2 -0.123 3.817 3.960 -0.034 0.000 0.220 52 G HA3 -0.123 3.817 3.960 -0.034 0.000 0.220 52 G C 1.142 176.039 174.900 -0.006 0.000 1.121 52 G CA 0.962 46.063 45.100 0.001 0.000 0.758 52 G HN 0.887 nan 8.290 nan 0.000 0.559 53 S N 1.919 117.612 115.700 -0.012 0.000 3.455 53 S HA 0.250 4.699 4.470 -0.034 0.000 0.288 53 S C -0.072 174.514 174.600 -0.023 0.000 1.231 53 S CA -0.475 57.714 58.200 -0.018 0.000 1.031 53 S CB 0.228 63.413 63.200 -0.025 0.000 1.570 53 S HN 0.258 nan 8.310 nan 0.000 0.519 54 E N 2.085 122.275 120.200 -0.017 0.000 2.442 54 E HA 0.325 4.654 4.350 -0.034 0.000 0.262 54 E C 0.674 177.259 176.600 -0.026 0.000 1.004 54 E CA 0.715 57.103 56.400 -0.019 0.000 0.928 54 E CB 0.177 29.870 29.700 -0.013 0.000 0.937 54 E HN 1.185 nan 8.360 nan 0.000 0.446 55 A N 2.518 125.320 122.820 -0.031 0.000 1.641 55 A HA -0.148 4.151 4.320 -0.034 0.000 0.211 55 A C 0.380 177.936 177.584 -0.047 0.000 1.300 55 A CA 0.706 52.722 52.037 -0.036 0.000 0.653 55 A CB -1.000 17.985 19.000 -0.025 0.000 1.164 55 A HN 0.546 nan 8.150 nan 0.000 0.206 56 E N 2.341 122.500 120.200 -0.070 0.000 2.344 56 E HA 0.331 4.661 4.350 -0.034 0.000 0.270 56 E C -0.279 176.280 176.600 -0.068 0.000 1.021 56 E CA -0.029 56.318 56.400 -0.089 0.000 0.887 56 E CB 0.883 30.492 29.700 -0.152 0.000 0.997 56 E HN 0.570 nan 8.360 nan 0.000 0.429 57 D N 3.351 123.717 120.400 -0.057 0.000 2.393 57 D HA 0.055 4.674 4.640 -0.034 0.000 0.232 57 D C -0.461 175.819 176.300 -0.032 0.000 1.192 57 D CA -0.513 53.468 54.000 -0.031 0.000 0.882 57 D CB 0.331 41.119 40.800 -0.020 0.000 1.038 57 D HN 0.134 nan 8.370 nan 0.000 0.499 58 R N 3.954 124.447 120.500 -0.012 0.000 2.507 58 R HA 0.141 4.460 4.340 -0.034 0.000 0.341 58 R C 0.117 176.469 176.300 0.086 0.000 0.960 58 R CA 0.255 56.362 56.100 0.012 0.000 1.032 58 R CB -0.067 30.286 30.300 0.088 0.000 0.933 58 R HN 0.477 nan 8.270 nan 0.000 0.418 59 R N 2.416 122.920 120.500 0.007 0.000 2.711 59 R HA 0.477 4.797 4.340 -0.034 0.000 0.284 59 R C -0.659 175.642 176.300 0.000 0.000 0.968 59 R CA -0.662 55.483 56.100 0.074 0.000 0.924 59 R CB 1.429 31.736 30.300 0.012 0.000 1.162 59 R HN 0.219 nan 8.270 nan 0.000 0.465 60 F N 0.662 120.589 119.950 -0.038 0.000 2.546 60 F HA 0.477 4.983 4.527 -0.035 0.000 0.320 60 F C 0.371 176.149 175.800 -0.036 0.000 1.076 60 F CA -0.820 57.149 58.000 -0.052 0.000 0.928 60 F CB 1.762 40.721 39.000 -0.069 0.000 1.189 60 F HN 0.163 nan 8.300 nan 0.000 0.465 61 R N 2.225 122.775 120.500 0.084 0.000 2.393 61 R HA 0.819 5.139 4.340 -0.034 0.000 0.310 61 R C -1.968 174.342 176.300 0.016 0.000 0.968 61 R CA -0.455 55.686 56.100 0.069 0.000 0.867 61 R CB 1.380 31.720 30.300 0.067 0.000 1.124 61 R HN 0.564 nan 8.270 nan 0.000 0.450 62 V N 4.867 124.822 119.914 0.068 0.000 2.760 62 V HA 0.483 4.583 4.120 -0.034 0.000 0.309 62 V C -1.111 175.157 176.094 0.289 0.000 1.077 62 V CA -0.848 61.490 62.300 0.064 0.000 0.910 62 V CB 1.946 33.814 31.823 0.074 0.000 1.008 62 V HN 0.566 nan 8.190 nan 0.000 0.424 63 F N 4.118 124.225 119.950 0.262 0.000 2.388 63 F HA 0.607 5.113 4.527 -0.035 0.000 0.358 63 F C 0.178 176.074 175.800 0.160 0.000 1.122 63 F CA -1.625 56.523 58.000 0.247 0.000 1.056 63 F CB 1.209 40.402 39.000 0.322 0.000 1.155 63 F HN 0.220 nan 8.300 nan 0.000 0.461 64 I N 4.136 124.889 120.570 0.306 0.000 2.312 64 I HA 0.188 4.337 4.170 -0.034 0.000 0.290 64 I C -0.175 176.039 176.117 0.162 0.000 1.008 64 I CA -0.647 60.764 61.300 0.184 0.000 1.226 64 I CB 1.127 39.198 38.000 0.118 0.000 1.371 64 I HN 0.515 nan 8.210 nan 0.000 0.468 65 H N 6.065 125.161 119.070 0.044 0.000 2.483 65 H HA 0.327 4.862 4.556 -0.034 0.000 0.338 65 H C -1.064 174.259 175.328 -0.008 0.000 1.152 65 H CA -0.405 55.642 56.048 -0.001 0.000 1.264 65 H CB 1.422 31.176 29.762 -0.014 0.000 1.510 65 H HN 0.489 nan 8.280 nan 0.000 0.530 66 D N 4.222 124.168 120.400 -0.757 0.000 2.462 66 D HA 0.071 4.690 4.640 -0.034 0.000 0.245 66 D C 1.028 176.900 176.300 -0.713 0.000 1.122 66 D CA -0.468 53.217 54.000 -0.526 0.000 0.864 66 D CB 1.204 41.850 40.800 -0.255 0.000 1.098 66 D HN 0.497 nan 8.370 nan 0.000 0.541 67 V N 2.014 121.656 119.914 -0.454 0.000 3.186 67 V HA -0.075 4.024 4.120 -0.034 0.000 0.270 67 V C 1.623 177.648 176.094 -0.116 0.000 1.149 67 V CA 1.574 63.749 62.300 -0.208 0.000 1.160 67 V CB -0.347 31.451 31.823 -0.042 0.000 0.758 67 V HN 0.391 nan 8.190 nan 0.000 0.516 68 S N -0.078 115.542 115.700 -0.133 0.000 2.548 68 S HA 0.390 4.840 4.470 -0.034 0.000 0.215 68 S C 1.677 176.234 174.600 -0.072 0.000 0.976 68 S CA 1.053 59.207 58.200 -0.076 0.000 0.908 68 S CB -0.001 63.162 63.200 -0.062 0.000 0.781 68 S HN 1.553 nan 8.310 nan 0.000 0.519 69 G N 0.487 109.225 108.800 -0.102 0.000 2.213 69 G HA2 -0.146 3.794 3.960 -0.034 0.000 0.226 69 G HA3 -0.146 3.794 3.960 -0.034 0.000 0.226 69 G C 0.299 175.156 174.900 -0.071 0.000 0.992 69 G CA 0.001 45.060 45.100 -0.067 0.000 0.632 69 G HN 1.113 nan 8.290 nan 0.000 0.511 70 A N 0.677 123.446 122.820 -0.085 0.000 2.483 70 A HA 0.592 4.892 4.320 -0.034 0.000 0.238 70 A C 0.945 178.483 177.584 -0.078 0.000 1.070 70 A CA 0.339 52.333 52.037 -0.071 0.000 0.770 70 A CB 0.123 19.083 19.000 -0.066 0.000 1.008 70 A HN 0.584 nan 8.150 nan 0.000 0.497 71 R N 2.006 122.468 120.500 -0.063 0.000 2.566 71 R HA 0.061 4.381 4.340 -0.034 0.000 0.273 71 R C -1.976 174.283 176.300 -0.068 0.000 0.981 71 R CA -0.434 55.625 56.100 -0.068 0.000 1.091 71 R CB 0.002 30.263 30.300 -0.065 0.000 0.924 71 R HN 0.616 nan 8.270 nan 0.000 0.411 72 P HA 0.056 nan 4.420 nan 0.000 0.279 72 P C -1.054 176.216 177.300 -0.050 0.000 1.282 72 P CA -0.255 62.818 63.100 -0.046 0.000 0.788 72 P CB 0.846 32.522 31.700 -0.040 0.000 1.139 73 Q N -1.210 118.594 119.800 0.007 0.000 2.421 73 Q HA 0.388 4.707 4.340 -0.034 0.000 0.280 73 Q C -0.957 175.130 176.000 0.144 0.000 1.085 73 Q CA -0.668 55.159 55.803 0.041 0.000 0.807 73 Q CB 2.512 31.282 28.738 0.053 0.000 1.405 73 Q HN 0.421 nan 8.270 nan 0.000 0.419 74 E N 1.614 121.918 120.200 0.173 0.000 2.114 74 E HA 0.453 4.782 4.350 -0.034 0.000 0.266 74 E C -1.554 175.187 176.600 0.235 0.000 0.896 74 E CA -0.474 56.129 56.400 0.338 0.000 0.750 74 E CB 1.291 31.220 29.700 0.382 0.000 1.121 74 E HN 0.307 nan 8.360 nan 0.000 0.413 75 V N 3.632 123.682 119.914 0.228 0.000 2.540 75 V HA 0.366 4.465 4.120 -0.034 0.000 0.302 75 V C -0.136 176.039 176.094 0.135 0.000 1.035 75 V CA -0.733 61.655 62.300 0.147 0.000 0.873 75 V CB 2.077 33.967 31.823 0.112 0.000 0.992 75 V HN 0.677 nan 8.190 nan 0.000 0.428 76 T N 4.434 119.052 114.554 0.108 0.000 2.771 76 T HA 0.647 4.976 4.350 -0.034 0.000 0.281 76 T C -0.347 174.403 174.700 0.083 0.000 0.982 76 T CA -0.399 61.759 62.100 0.097 0.000 0.978 76 T CB 1.455 70.370 68.868 0.079 0.000 0.930 76 T HN 0.763 nan 8.240 nan 0.000 0.447 77 V N 0.715 120.689 119.914 0.100 0.000 2.823 77 V HA 0.868 4.967 4.120 -0.034 0.000 0.312 77 V C -0.127 176.027 176.094 0.101 0.000 1.072 77 V CA -0.940 61.406 62.300 0.078 0.000 0.937 77 V CB 2.111 33.962 31.823 0.048 0.000 1.013 77 V HN 0.748 nan 8.190 nan 0.000 0.430 78 S N 2.390 118.129 115.700 0.064 0.000 2.420 78 S HA 0.415 4.865 4.470 -0.034 0.000 0.313 78 S C 0.580 175.209 174.600 0.048 0.000 1.079 78 S CA -0.337 57.902 58.200 0.065 0.000 1.104 78 S CB 1.061 64.282 63.200 0.035 0.000 0.969 78 S HN 0.815 nan 8.310 nan 0.000 0.471 79 V N 5.199 125.159 119.914 0.077 0.000 2.809 79 V HA -0.066 4.033 4.120 -0.034 0.000 0.256 79 V C 2.363 178.466 176.094 0.015 0.000 1.080 79 V CA 2.008 64.317 62.300 0.014 0.000 1.102 79 V CB -0.843 30.983 31.823 0.005 0.000 0.705 79 V HN 0.872 nan 8.190 nan 0.000 0.475 80 T N 0.610 115.183 114.554 0.031 0.000 2.737 80 T HA -0.105 4.224 4.350 -0.034 0.000 0.265 80 T C 1.624 176.327 174.700 0.005 0.000 1.038 80 T CA 1.506 63.615 62.100 0.015 0.000 1.144 80 T CB -0.217 68.658 68.868 0.011 0.000 0.866 80 T HN 0.466 nan 8.240 nan 0.000 0.434 81 N N 0.218 118.922 118.700 0.006 0.000 2.299 81 N HA 0.164 4.884 4.740 -0.034 0.000 0.187 81 N C 1.254 176.763 175.510 -0.001 0.000 1.099 81 N CA 0.618 53.669 53.050 0.002 0.000 0.867 81 N CB 0.492 38.981 38.487 0.004 0.000 0.974 81 N HN 0.503 nan 8.380 nan 0.000 0.477 82 G N 1.728 110.526 108.800 -0.003 0.000 2.246 82 G HA2 -0.262 3.677 3.960 -0.034 0.000 0.273 82 G HA3 -0.262 3.677 3.960 -0.034 0.000 0.273 82 G C 0.157 175.053 174.900 -0.006 0.000 1.055 82 G CA 0.985 46.078 45.100 -0.011 0.000 0.851 82 G HN 0.540 nan 8.290 nan 0.000 0.500 83 T N -3.969 110.586 114.554 0.002 0.000 2.887 83 T HA 0.703 5.032 4.350 -0.034 0.000 0.292 83 T C -0.338 174.371 174.700 0.014 0.000 1.087 83 T CA -0.502 61.602 62.100 0.007 0.000 1.009 83 T CB 2.627 71.500 68.868 0.008 0.000 1.203 83 T HN 0.814 nan 8.240 nan 0.000 0.518 84 V N 3.372 123.296 119.914 0.017 0.000 2.348 84 V HA 0.201 4.300 4.120 -0.034 0.000 0.270 84 V C 1.252 177.363 176.094 0.028 0.000 1.037 84 V CA -0.711 61.605 62.300 0.026 0.000 0.872 84 V CB 0.257 32.095 31.823 0.025 0.000 1.002 84 V HN 0.788 nan 8.190 nan 0.000 0.464 85 I N 3.254 123.844 120.570 0.035 0.000 2.202 85 I HA -0.040 4.110 4.170 -0.034 0.000 0.242 85 I C 1.112 177.249 176.117 0.033 0.000 1.091 85 I CA 1.346 62.665 61.300 0.031 0.000 1.368 85 I CB -0.645 37.376 38.000 0.035 0.000 1.058 85 I HN 0.801 nan 8.210 nan 0.000 0.410 86 S N -0.752 114.974 115.700 0.043 0.000 2.567 86 S HA 0.799 5.249 4.470 -0.034 0.000 0.270 86 S C -0.991 173.644 174.600 0.058 0.000 1.152 86 S CA -0.448 57.780 58.200 0.045 0.000 0.835 86 S CB 2.423 65.651 63.200 0.046 0.000 1.115 86 S HN 0.356 nan 8.310 nan 0.000 0.459 87 A N 1.359 124.211 122.820 0.053 0.000 2.476 87 A HA 0.685 4.985 4.320 -0.034 0.000 0.280 87 A C -1.161 176.453 177.584 0.050 0.000 1.081 87 A CA -0.612 51.461 52.037 0.060 0.000 0.753 87 A CB 1.067 20.096 19.000 0.048 0.000 1.248 87 A HN 1.161 nan 8.150 nan 0.000 0.424 88 V N 2.042 121.992 119.914 0.061 0.000 2.483 88 V HA 0.376 4.475 4.120 -0.034 0.000 0.295 88 V C 0.434 176.539 176.094 0.019 0.000 1.035 88 V CA -0.612 61.712 62.300 0.040 0.000 0.896 88 V CB 1.708 33.560 31.823 0.050 0.000 0.986 88 V HN 0.948 nan 8.190 nan 0.000 0.447 89 E N 3.668 123.865 120.200 -0.005 0.000 2.316 89 E HA 0.357 4.687 4.350 -0.034 0.000 0.275 89 E C -1.124 175.436 176.600 -0.067 0.000 1.029 89 E CA -0.379 56.002 56.400 -0.031 0.000 0.871 89 E CB 0.755 30.438 29.700 -0.029 0.000 1.022 89 E HN 0.531 nan 8.360 nan 0.000 0.418 90 L N 3.910 125.064 121.223 -0.116 0.000 2.307 90 L HA 0.237 4.556 4.340 -0.034 0.000 0.282 90 L C -0.009 176.746 176.870 -0.193 0.000 1.051 90 L CA -0.575 54.138 54.840 -0.212 0.000 0.804 90 L CB 1.172 43.001 42.059 -0.384 0.000 1.197 90 L HN 0.525 nan 8.230 nan 0.000 0.431 91 D N 1.323 121.610 120.400 -0.188 0.000 2.493 91 D HA 0.074 4.693 4.640 -0.034 0.000 0.235 91 D C 1.320 177.510 176.300 -0.183 0.000 1.117 91 D CA -0.321 53.592 54.000 -0.145 0.000 0.930 91 D CB 1.080 41.821 40.800 -0.098 0.000 1.010 91 D HN 0.655 nan 8.370 nan 0.000 0.514 92 T N 0.397 114.829 114.554 -0.203 0.000 2.778 92 T HA -0.205 4.124 4.350 -0.034 0.000 0.269 92 T C 1.864 176.474 174.700 -0.151 0.000 1.050 92 T CA 1.108 63.079 62.100 -0.214 0.000 1.137 92 T CB -0.169 68.591 68.868 -0.180 0.000 0.860 92 T HN 0.246 nan 8.240 nan 0.000 0.468 93 A N 1.145 123.899 122.820 -0.110 0.000 2.070 93 A HA 0.454 4.753 4.320 -0.034 0.000 0.220 93 A C 2.586 180.100 177.584 -0.115 0.000 1.159 93 A CA 1.577 53.564 52.037 -0.084 0.000 0.656 93 A CB -0.942 18.030 19.000 -0.046 0.000 0.800 93 A HN 0.782 nan 8.150 nan 0.000 0.453 94 A N -0.983 121.769 122.820 -0.112 0.000 1.938 94 A HA 0.149 4.449 4.320 -0.034 0.000 0.207 94 A C 2.140 179.684 177.584 -0.066 0.000 1.292 94 A CA 1.645 53.623 52.037 -0.099 0.000 0.700 94 A CB -0.660 18.302 19.000 -0.064 0.000 0.947 94 A HN 0.649 nan 8.150 nan 0.000 0.476 95 T N -3.122 111.403 114.554 -0.049 0.000 3.086 95 T HA 0.474 4.803 4.350 -0.034 0.000 0.250 95 T C 0.874 175.649 174.700 0.126 0.000 1.074 95 T CA 0.846 62.984 62.100 0.063 0.000 0.988 95 T CB -0.174 68.694 68.868 -0.000 0.000 0.988 95 T HN 1.921 nan 8.240 nan 0.000 0.530 96 G N 0.929 109.721 108.800 -0.013 0.000 2.629 96 G HA2 0.005 3.944 3.960 -0.034 0.000 0.686 96 G HA3 0.005 3.944 3.960 -0.034 0.000 0.686 96 G C -1.030 173.776 174.900 -0.157 0.000 1.232 96 G CA -1.049 44.036 45.100 -0.025 0.000 0.803 96 G HN 0.260 nan 8.290 nan 0.000 0.638 97 E N -0.310 119.818 120.200 -0.120 0.000 2.371 97 E HA 0.471 4.801 4.350 -0.034 0.000 0.257 97 E C 1.141 177.674 176.600 -0.113 0.000 1.134 97 E CA -0.397 55.914 56.400 -0.149 0.000 0.919 97 E CB 0.830 30.455 29.700 -0.125 0.000 1.025 97 E HN 0.487 nan 8.360 nan 0.000 0.438 98 L N 1.885 123.022 121.223 -0.144 0.000 2.456 98 L HA 0.255 4.575 4.340 -0.034 0.000 0.257 98 L C -1.925 174.907 176.870 -0.064 0.000 1.162 98 L CA -1.869 52.942 54.840 -0.050 0.000 0.808 98 L CB -0.130 41.897 42.059 -0.052 0.000 1.136 98 L HN 0.164 nan 8.230 nan 0.000 0.466 99 P HA -0.037 nan 4.420 nan 0.000 0.267 99 P C -0.681 176.544 177.300 -0.126 0.000 1.201 99 P CA -0.197 62.892 63.100 -0.020 0.000 0.775 99 P CB 0.380 32.132 31.700 0.087 0.000 0.854 100 V N 3.394 123.192 119.914 -0.192 0.000 2.637 100 V HA 0.035 4.135 4.120 -0.034 0.000 0.296 100 V C 0.712 176.631 176.094 -0.291 0.000 1.046 100 V CA 0.024 62.102 62.300 -0.369 0.000 1.066 100 V CB -0.144 31.309 31.823 -0.617 0.000 0.968 100 V HN 0.309 nan 8.190 nan 0.000 0.483 101 L N 3.268 124.285 121.223 -0.343 0.000 2.375 101 L HA 0.313 4.633 4.340 -0.034 0.000 0.271 101 L C 1.586 178.360 176.870 -0.161 0.000 1.107 101 L CA -0.109 54.626 54.840 -0.174 0.000 0.806 101 L CB 0.743 42.715 42.059 -0.145 0.000 1.146 101 L HN 0.737 nan 8.230 nan 0.000 0.447 102 E N 1.551 121.828 120.200 0.129 0.000 2.153 102 E HA -0.239 4.090 4.350 -0.034 0.000 0.194 102 E C 1.625 178.377 176.600 0.253 0.000 0.988 102 E CA 1.613 58.249 56.400 0.394 0.000 0.811 102 E CB 0.273 30.226 29.700 0.422 0.000 0.746 102 E HN 0.795 nan 8.360 nan 0.000 0.466 103 E N 0.151 120.414 120.200 0.106 0.000 2.204 103 E HA -0.199 4.131 4.350 -0.034 0.000 0.194 103 E C 1.686 178.316 176.600 0.050 0.000 0.989 103 E CA 0.997 57.453 56.400 0.092 0.000 0.824 103 E CB -0.094 29.643 29.700 0.062 0.000 0.756 103 E HN 0.305 nan 8.360 nan 0.000 0.477 104 E N 0.049 120.211 120.200 -0.063 0.000 2.107 104 E HA -0.096 4.233 4.350 -0.034 0.000 0.191 104 E C 1.569 178.132 176.600 -0.061 0.000 0.982 104 E CA 0.843 57.169 56.400 -0.123 0.000 0.809 104 E CB -0.135 29.397 29.700 -0.279 0.000 0.756 104 E HN 0.262 nan 8.360 nan 0.000 0.459 105 F N 1.787 121.781 119.950 0.074 0.000 2.161 105 F HA -0.191 4.316 4.527 -0.035 0.000 0.300 105 F C 2.104 177.951 175.800 0.077 0.000 1.089 105 F CA 1.254 59.309 58.000 0.092 0.000 1.282 105 F CB -0.467 38.618 39.000 0.142 0.000 1.010 105 F HN 0.035 nan 8.300 nan 0.000 0.485 106 E N 0.079 120.434 120.200 0.259 0.000 2.077 106 E HA -0.172 4.157 4.350 -0.034 0.000 0.193 106 E C 2.416 179.077 176.600 0.102 0.000 0.989 106 E CA 1.683 58.184 56.400 0.168 0.000 0.800 106 E CB -0.474 29.315 29.700 0.149 0.000 0.746 106 E HN 0.395 nan 8.360 nan 0.000 0.452 107 V N -0.748 119.210 119.914 0.074 0.000 2.568 107 V HA -0.213 3.887 4.120 -0.034 0.000 0.253 107 V C 2.147 178.245 176.094 0.006 0.000 1.072 107 V CA 1.350 63.670 62.300 0.034 0.000 1.084 107 V CB -0.700 31.134 31.823 0.018 0.000 0.676 107 V HN 0.035 nan 8.190 nan 0.000 0.469 108 V N 0.933 120.859 119.914 0.019 0.000 2.261 108 V HA -0.304 3.795 4.120 -0.034 0.000 0.246 108 V C 2.752 178.788 176.094 -0.096 0.000 1.047 108 V CA 2.714 64.995 62.300 -0.032 0.000 1.015 108 V CB -0.806 31.030 31.823 0.022 0.000 0.642 108 V HN 0.769 nan 8.190 nan 0.000 0.446 109 E N -0.383 119.798 120.200 -0.032 0.000 2.110 109 E HA -0.263 4.066 4.350 -0.034 0.000 0.193 109 E C 2.239 178.810 176.600 -0.048 0.000 0.988 109 E CA 1.374 57.746 56.400 -0.046 0.000 0.804 109 E CB -0.070 29.656 29.700 0.043 0.000 0.745 109 E HN 0.703 nan 8.360 nan 0.000 0.458 110 Q N 0.179 119.970 119.800 -0.015 0.000 2.079 110 Q HA -0.130 4.189 4.340 -0.034 0.000 0.200 110 Q C 2.459 178.440 176.000 -0.031 0.000 0.974 110 Q CA 1.230 57.032 55.803 -0.002 0.000 0.840 110 Q CB -0.042 28.707 28.738 0.019 0.000 0.898 110 Q HN 0.363 nan 8.270 nan 0.000 0.430 111 L N 0.440 121.626 121.223 -0.061 0.000 1.994 111 L HA -0.208 4.112 4.340 -0.034 0.000 0.208 111 L C 2.370 179.166 176.870 -0.123 0.000 1.071 111 L CA 1.028 55.823 54.840 -0.075 0.000 0.745 111 L CB -0.465 41.546 42.059 -0.080 0.000 0.892 111 L HN 0.259 nan 8.230 nan 0.000 0.431 112 L N -0.240 120.821 121.223 -0.269 0.000 2.081 112 L HA -0.234 4.086 4.340 -0.034 0.000 0.212 112 L C 2.769 179.527 176.870 -0.187 0.000 1.080 112 L CA 1.104 55.648 54.840 -0.493 0.000 0.754 112 L CB -0.786 40.490 42.059 -1.305 0.000 0.893 112 L HN 0.279 nan 8.230 nan 0.000 0.433 113 A N -0.274 122.514 122.820 -0.054 0.000 2.131 113 A HA -0.173 4.126 4.320 -0.034 0.000 0.220 113 A C 2.092 179.743 177.584 0.110 0.000 1.158 113 A CA 2.028 54.135 52.037 0.117 0.000 0.665 113 A CB -0.693 18.358 19.000 0.084 0.000 0.795 113 A HN 0.547 nan 8.150 nan 0.000 0.460 114 T N -3.717 110.873 114.554 0.060 0.000 3.085 114 T HA 0.173 4.503 4.350 -0.034 0.000 0.264 114 T C 0.077 174.813 174.700 0.060 0.000 1.019 114 T CA -0.005 62.129 62.100 0.056 0.000 0.910 114 T CB -0.028 68.858 68.868 0.030 0.000 1.059 114 T HN 0.322 nan 8.240 nan 0.000 0.542 115 D N 1.623 122.072 120.400 0.083 0.000 2.280 115 D HA 0.108 4.728 4.640 -0.034 0.000 0.243 115 D C 0.652 177.031 176.300 0.131 0.000 1.129 115 D CA -0.222 53.831 54.000 0.089 0.000 0.848 115 D CB 1.348 42.193 40.800 0.075 0.000 1.107 115 D HN 0.004 nan 8.370 nan 0.000 0.471 116 E N 3.756 124.006 120.200 0.083 0.000 2.097 116 E HA -0.211 4.119 4.350 -0.034 0.000 0.196 116 E C 1.861 178.507 176.600 0.077 0.000 1.000 116 E CA 1.131 57.572 56.400 0.068 0.000 0.804 116 E CB 0.007 29.730 29.700 0.039 0.000 0.740 116 E HN 0.582 nan 8.360 nan 0.000 0.454 117 R N -0.153 120.399 120.500 0.088 0.000 2.073 117 R HA -0.111 4.208 4.340 -0.034 0.000 0.234 117 R C 2.334 178.711 176.300 0.128 0.000 1.134 117 R CA 1.469 57.619 56.100 0.083 0.000 0.952 117 R CB -0.431 29.915 30.300 0.077 0.000 0.850 117 R HN 0.362 nan 8.270 nan 0.000 0.433 118 W N 1.502 122.790 121.300 -0.019 0.000 2.355 118 W HA -0.153 4.504 4.660 -0.006 0.000 0.309 118 W C 1.499 178.013 176.519 -0.008 0.000 1.206 118 W CA 1.293 58.629 57.345 -0.014 0.000 1.284 118 W CB -0.155 29.301 29.460 -0.007 0.000 1.145 118 W HN 0.096 nan 8.180 nan 0.000 0.502 119 L N 0.740 122.046 121.223 0.138 0.000 2.083 119 L HA -0.239 4.080 4.340 -0.034 0.000 0.209 119 L C 2.559 179.399 176.870 -0.049 0.000 1.083 119 L CA 1.419 56.276 54.840 0.028 0.000 0.752 119 L CB -0.738 41.367 42.059 0.077 0.000 0.899 119 L HN -0.102 nan 8.230 nan 0.000 0.433 120 K N -0.001 120.381 120.400 -0.031 0.000 2.057 120 K HA -0.105 4.194 4.320 -0.034 0.000 0.206 120 K C 2.280 178.823 176.600 -0.095 0.000 1.050 120 K CA 1.236 57.495 56.287 -0.047 0.000 0.935 120 K CB -0.219 32.267 32.500 -0.024 0.000 0.715 120 K HN 0.259 nan 8.250 nan 0.000 0.439 121 A N 1.613 124.348 122.820 -0.141 0.000 1.908 121 A HA -0.149 4.150 4.320 -0.034 0.000 0.218 121 A C 2.126 179.562 177.584 -0.246 0.000 1.181 121 A CA 1.324 53.241 52.037 -0.200 0.000 0.627 121 A CB -0.670 18.161 19.000 -0.282 0.000 0.818 121 A HN 0.150 nan 8.150 nan 0.000 0.445 122 L N -0.974 120.056 121.223 -0.322 0.000 2.056 122 L HA -0.163 4.157 4.340 -0.034 0.000 0.207 122 L C 3.121 179.900 176.870 -0.151 0.000 1.078 122 L CA 0.992 55.666 54.840 -0.276 0.000 0.749 122 L CB -0.705 41.173 42.059 -0.302 0.000 0.901 122 L HN 0.445 nan 8.230 nan 0.000 0.433 123 A N 0.418 123.170 122.820 -0.114 0.000 1.883 123 A HA -0.209 4.091 4.320 -0.034 0.000 0.217 123 A C 2.539 180.083 177.584 -0.067 0.000 1.186 123 A CA 1.860 53.854 52.037 -0.071 0.000 0.624 123 A CB -0.738 18.232 19.000 -0.050 0.000 0.822 123 A HN 0.403 nan 8.150 nan 0.000 0.444 124 A N -0.487 122.287 122.820 -0.076 0.000 2.024 124 A HA -0.147 4.153 4.320 -0.034 0.000 0.220 124 A C 2.132 179.676 177.584 -0.067 0.000 1.164 124 A CA 1.519 53.516 52.037 -0.066 0.000 0.643 124 A CB -0.363 18.596 19.000 -0.069 0.000 0.806 124 A HN 0.564 nan 8.150 nan 0.000 0.451 125 R N -0.824 119.627 120.500 -0.082 0.000 2.334 125 R HA 0.092 4.412 4.340 -0.034 0.000 0.216 125 R C -0.297 175.965 176.300 -0.063 0.000 0.905 125 R CA 0.203 56.259 56.100 -0.074 0.000 1.064 125 R CB 0.096 30.340 30.300 -0.094 0.000 1.046 125 R HN 0.478 nan 8.270 nan 0.000 0.508 126 N N 0.957 119.620 118.700 -0.061 0.000 2.740 126 N HA -0.177 4.543 4.740 -0.034 0.000 0.248 126 N C -1.097 174.384 175.510 -0.049 0.000 1.062 126 N CA 0.946 53.968 53.050 -0.047 0.000 0.704 126 N CB -1.299 37.166 38.487 -0.036 0.000 0.968 126 N HN 0.268 nan 8.380 nan 0.000 0.547 127 L N 0.461 121.645 121.223 -0.065 0.000 2.287 127 L HA 0.310 4.629 4.340 -0.034 0.000 0.287 127 L C 0.564 177.407 176.870 -0.045 0.000 1.022 127 L CA -0.912 53.892 54.840 -0.061 0.000 0.814 127 L CB 1.497 43.503 42.059 -0.088 0.000 1.217 127 L HN -0.068 nan 8.230 nan 0.000 0.420 128 D N 2.404 122.791 120.400 -0.021 0.000 2.358 128 D HA -0.020 4.599 4.640 -0.034 0.000 0.258 128 D C 0.900 177.209 176.300 0.016 0.000 1.223 128 D CA 0.073 54.072 54.000 -0.001 0.000 0.886 128 D CB 1.735 42.539 40.800 0.007 0.000 1.120 128 D HN 0.287 nan 8.370 nan 0.000 0.482 129 V N 3.797 123.730 119.914 0.031 0.000 2.546 129 V HA -0.269 3.830 4.120 -0.034 0.000 0.254 129 V C 1.959 178.108 176.094 0.092 0.000 1.076 129 V CA 2.912 65.261 62.300 0.081 0.000 1.087 129 V CB -0.607 31.284 31.823 0.113 0.000 0.674 129 V HN 0.746 nan 8.190 nan 0.000 0.470 130 S N -1.277 114.462 115.700 0.064 0.000 2.481 130 S HA -0.070 4.379 4.470 -0.034 0.000 0.231 130 S C 1.701 176.333 174.600 0.054 0.000 0.996 130 S CA 0.988 59.224 58.200 0.060 0.000 0.942 130 S CB -0.322 62.906 63.200 0.047 0.000 0.768 130 S HN 0.743 nan 8.310 nan 0.000 0.520 131 K N 0.661 121.089 120.400 0.046 0.000 2.358 131 K HA 0.303 4.603 4.320 -0.034 0.000 0.197 131 K C -0.708 175.916 176.600 0.040 0.000 1.025 131 K CA -0.055 56.253 56.287 0.034 0.000 1.104 131 K CB 0.932 33.444 32.500 0.020 0.000 0.855 131 K HN 0.197 nan 8.250 nan 0.000 0.531 132 V N 3.428 123.385 119.914 0.071 0.000 2.348 132 V HA 0.192 4.291 4.120 -0.034 0.000 0.270 132 V C 0.149 176.328 176.094 0.142 0.000 1.037 132 V CA -0.722 61.641 62.300 0.104 0.000 0.872 132 V CB 0.701 32.603 31.823 0.131 0.000 1.002 132 V HN 0.156 nan 8.190 nan 0.000 0.464 133 R N 3.327 123.894 120.500 0.111 0.000 2.490 133 R HA 0.558 4.877 4.340 -0.034 0.000 0.278 133 R C -0.719 175.697 176.300 0.193 0.000 1.069 133 R CA -0.453 55.706 56.100 0.097 0.000 1.080 133 R CB 1.725 32.014 30.300 -0.018 0.000 1.030 133 R HN 0.437 nan 8.270 nan 0.000 0.491 134 V N 2.090 122.114 119.914 0.184 0.000 2.409 134 V HA 0.375 4.474 4.120 -0.034 0.000 0.291 134 V C 0.061 176.302 176.094 0.244 0.000 1.020 134 V CA -1.118 61.329 62.300 0.245 0.000 0.848 134 V CB 1.634 33.542 31.823 0.142 0.000 0.990 134 V HN 0.835 nan 8.190 nan 0.000 0.430 135 A N 7.685 130.731 122.820 0.377 0.000 2.350 135 A HA 0.672 4.972 4.320 -0.034 0.000 0.293 135 A C -2.567 175.236 177.584 0.366 0.000 1.231 135 A CA -1.299 50.970 52.037 0.387 0.000 0.883 135 A CB 0.002 19.377 19.000 0.625 0.000 1.133 135 A HN 0.611 nan 8.150 nan 0.000 0.533 136 P HA 0.407 nan 4.420 nan 0.000 0.287 136 P C -0.800 176.739 177.300 0.399 0.000 1.307 136 P CA 0.130 63.445 63.100 0.358 0.000 0.777 136 P CB 0.708 32.725 31.700 0.527 0.000 0.883 137 L N 1.719 123.145 121.223 0.337 0.000 2.333 137 L HA 0.525 4.844 4.340 -0.034 0.000 0.269 137 L C 0.794 177.796 176.870 0.220 0.000 1.010 137 L CA -1.005 54.018 54.840 0.305 0.000 0.818 137 L CB 1.898 44.116 42.059 0.265 0.000 1.306 137 L HN 0.296 nan 8.230 nan 0.000 0.430 138 S N 0.381 116.203 115.700 0.204 0.000 2.589 138 S HA 0.204 4.653 4.470 -0.034 0.000 0.265 138 S C 1.226 175.858 174.600 0.053 0.000 1.342 138 S CA -0.060 58.186 58.200 0.076 0.000 1.005 138 S CB 1.276 64.515 63.200 0.065 0.000 0.909 138 S HN 0.744 nan 8.310 nan 0.000 0.555 139 A N 1.608 124.408 122.820 -0.034 0.000 2.042 139 A HA 0.137 4.436 4.320 -0.034 0.000 0.222 139 A C 2.257 179.874 177.584 0.055 0.000 1.167 139 A CA 2.161 54.131 52.037 -0.111 0.000 0.649 139 A CB -1.932 17.013 19.000 -0.093 0.000 0.809 139 A HN 2.305 nan 8.150 nan 0.000 0.457 140 G N -2.126 106.798 108.800 0.206 0.000 2.674 140 G HA2 -0.310 3.629 3.960 -0.034 0.000 0.236 140 G HA3 -0.310 3.629 3.960 -0.034 0.000 0.236 140 G C 0.795 175.852 174.900 0.262 0.000 1.178 140 G CA 1.521 46.816 45.100 0.326 0.000 0.721 140 G HN 2.023 nan 8.290 nan 0.000 0.515 141 V N -3.839 116.179 119.914 0.174 0.000 3.105 141 V HA 0.918 5.017 4.120 -0.034 0.000 0.311 141 V C -0.759 175.409 176.094 0.122 0.000 1.287 141 V CA -0.905 61.474 62.300 0.132 0.000 1.066 141 V CB 2.048 33.915 31.823 0.072 0.000 1.105 141 V HN 1.113 nan 8.190 nan 0.000 0.462 142 F N 1.621 121.527 119.950 -0.074 0.000 2.612 142 F HA 0.743 5.249 4.527 -0.035 0.000 0.332 142 F C 0.141 175.875 175.800 -0.109 0.000 1.167 142 F CA 0.226 58.166 58.000 -0.099 0.000 0.970 142 F CB 1.513 40.463 39.000 -0.083 0.000 1.234 142 F HN 0.989 nan 8.300 nan 0.000 0.453 143 E N 2.971 122.810 120.200 -0.602 0.000 2.967 143 E HA 0.041 4.371 4.350 -0.034 0.000 0.287 143 E C -0.592 175.803 176.600 -0.342 0.000 1.132 143 E CA -0.468 55.642 56.400 -0.483 0.000 2.067 143 E CB 0.191 29.689 29.700 -0.336 0.000 2.121 143 E HN 0.370 nan 8.360 nan 0.000 1.046 144 Y N 2.519 122.674 120.300 -0.241 0.000 2.805 144 Y HA -0.099 4.430 4.550 -0.035 0.000 0.386 144 Y C 1.715 177.493 175.900 -0.203 0.000 1.313 144 Y CA -0.258 57.738 58.100 -0.173 0.000 1.683 144 Y CB 0.243 38.621 38.460 -0.136 0.000 1.168 144 Y HN 0.459 nan 8.280 nan 0.000 0.514 145 A N 3.697 126.516 122.820 -0.003 0.000 1.908 145 A HA -0.276 4.023 4.320 -0.034 0.000 0.218 145 A C 2.019 179.580 177.584 -0.038 0.000 1.181 145 A CA 1.759 53.759 52.037 -0.061 0.000 0.627 145 A CB -0.503 18.470 19.000 -0.045 0.000 0.818 145 A HN 0.896 nan 8.150 nan 0.000 0.445 146 E N 0.717 120.902 120.200 -0.025 0.000 2.284 146 E HA -0.234 4.095 4.350 -0.034 0.000 0.200 146 E C 0.426 177.015 176.600 -0.018 0.000 1.008 146 E CA 1.276 57.659 56.400 -0.029 0.000 0.829 146 E CB -0.558 29.112 29.700 -0.050 0.000 0.744 146 E HN 0.770 nan 8.360 nan 0.000 0.491 147 E N 1.815 122.009 120.200 -0.009 0.000 2.705 147 E HA 0.023 4.352 4.350 -0.034 0.000 0.272 147 E C -0.271 176.321 176.600 -0.013 0.000 1.528 147 E CA -0.338 56.056 56.400 -0.011 0.000 1.750 147 E CB -0.296 29.395 29.700 -0.014 0.000 1.439 147 E HN 0.157 nan 8.360 nan 0.000 0.449 148 R N 1.006 121.498 120.500 -0.014 0.000 3.110 148 R HA -0.089 4.231 4.340 -0.034 0.000 0.347 148 R C 0.821 177.122 176.300 0.000 0.000 0.931 148 R CA 0.666 56.761 56.100 -0.008 0.000 1.003 148 R CB -0.813 29.480 30.300 -0.012 0.000 0.955 148 R HN 0.523 nan 8.270 nan 0.000 0.405 149 G N 4.137 112.948 108.800 0.019 0.000 2.402 149 G HA2 -0.366 3.574 3.960 -0.034 0.000 0.300 149 G HA3 -0.366 3.574 3.960 -0.034 0.000 0.300 149 G C -0.099 174.799 174.900 -0.003 0.000 0.987 149 G CA 0.614 45.723 45.100 0.014 0.000 0.881 149 G HN 0.645 nan 8.290 nan 0.000 0.512 150 R N -0.760 119.738 120.500 -0.003 0.000 2.404 150 R HA 0.463 4.782 4.340 -0.034 0.000 0.291 150 R C 0.581 176.867 176.300 -0.023 0.000 1.025 150 R CA -0.907 55.185 56.100 -0.013 0.000 0.991 150 R CB 1.194 31.486 30.300 -0.014 0.000 1.053 150 R HN 0.232 nan 8.270 nan 0.000 0.479 151 R N 3.629 124.112 120.500 -0.028 0.000 2.248 151 R HA 0.233 4.552 4.340 -0.034 0.000 0.337 151 R C -0.643 175.620 176.300 -0.061 0.000 1.106 151 R CA 0.028 56.097 56.100 -0.051 0.000 0.959 151 R CB 0.044 30.319 30.300 -0.041 0.000 1.075 151 R HN 0.550 nan 8.270 nan 0.000 0.480 152 I N 4.867 125.391 120.570 -0.076 0.000 2.693 152 I HA 0.412 4.561 4.170 -0.034 0.000 0.303 152 I C -0.397 175.656 176.117 -0.106 0.000 1.025 152 I CA -1.127 60.122 61.300 -0.085 0.000 1.086 152 I CB 2.062 40.006 38.000 -0.094 0.000 1.268 152 I HN 0.421 nan 8.210 nan 0.000 0.440 153 L N 4.078 125.247 121.223 -0.089 0.000 2.388 153 L HA 0.579 4.899 4.340 -0.034 0.000 0.264 153 L C -0.658 176.169 176.870 -0.072 0.000 0.998 153 L CA -0.795 54.006 54.840 -0.066 0.000 0.817 153 L CB 2.422 44.473 42.059 -0.013 0.000 1.338 153 L HN 0.534 nan 8.230 nan 0.000 0.414 154 R N 0.489 120.925 120.500 -0.108 0.000 2.668 154 R HA 0.721 5.040 4.340 -0.034 0.000 0.279 154 R C -0.290 176.045 176.300 0.060 0.000 0.976 154 R CA -0.780 55.249 56.100 -0.119 0.000 0.978 154 R CB 1.962 31.871 30.300 -0.652 0.000 1.133 154 R HN 0.749 nan 8.270 nan 0.000 0.484 155 G N 2.086 110.952 108.800 0.110 0.000 2.590 155 G HA2 0.577 4.516 3.960 -0.034 0.000 0.310 155 G HA3 0.577 4.516 3.960 -0.034 0.000 0.310 155 G C -0.968 174.129 174.900 0.327 0.000 1.347 155 G CA -0.596 44.609 45.100 0.175 0.000 0.963 155 G HN 0.273 nan 8.290 nan 0.000 0.494 156 L N 1.590 123.075 121.223 0.437 0.000 2.346 156 L HA 0.709 5.029 4.340 -0.034 0.000 0.276 156 L C 0.538 177.609 176.870 0.334 0.000 1.006 156 L CA -1.022 54.074 54.840 0.427 0.000 0.817 156 L CB 2.175 44.581 42.059 0.579 0.000 1.272 156 L HN 0.628 nan 8.230 nan 0.000 0.421 157 A N 3.019 125.913 122.820 0.123 0.000 2.310 157 A HA 0.823 5.122 4.320 -0.034 0.000 0.299 157 A C -1.139 176.160 177.584 -0.474 0.000 1.147 157 A CA -0.116 51.948 52.037 0.045 0.000 0.818 157 A CB 0.372 19.426 19.000 0.091 0.000 1.096 157 A HN 0.508 nan 8.150 nan 0.000 0.495 158 F N 0.834 120.788 119.950 0.006 0.000 2.581 158 F HA 0.432 4.942 4.527 -0.029 0.000 0.311 158 F C -0.173 175.593 175.800 -0.057 0.000 1.113 158 F CA -0.663 57.287 58.000 -0.083 0.000 0.935 158 F CB 2.346 41.179 39.000 -0.280 0.000 1.232 158 F HN 0.311 nan 8.300 nan 0.000 0.445 159 V N 2.737 122.732 119.914 0.135 0.000 2.432 159 V HA 0.315 4.414 4.120 -0.034 0.000 0.275 159 V C -0.331 175.822 176.094 0.099 0.000 1.043 159 V CA -0.561 61.786 62.300 0.078 0.000 0.925 159 V CB 1.381 33.211 31.823 0.012 0.000 0.985 159 V HN 0.767 nan 8.190 nan 0.000 0.466 160 Q N 3.168 122.978 119.800 0.016 0.000 2.425 160 Q HA 0.226 4.545 4.340 -0.034 0.000 0.254 160 Q C 0.163 176.128 176.000 -0.057 0.000 1.032 160 Q CA -0.618 55.156 55.803 -0.049 0.000 0.798 160 Q CB 1.105 29.782 28.738 -0.101 0.000 1.210 160 Q HN 0.772 nan 8.270 nan 0.000 0.491 161 D N 3.331 123.694 120.400 -0.062 0.000 2.149 161 D HA -0.075 4.544 4.640 -0.034 0.000 0.198 161 D C 0.232 176.652 176.300 0.201 0.000 0.990 161 D CA 1.440 55.478 54.000 0.062 0.000 0.839 161 D CB 0.069 40.980 40.800 0.184 0.000 0.948 161 D HN 0.460 nan 8.370 nan 0.000 0.460 162 F N -3.858 116.093 119.950 0.002 0.000 2.662 162 F HA 0.391 4.893 4.527 -0.042 0.000 0.312 162 F C -2.196 173.600 175.800 -0.007 0.000 1.113 162 F CA -2.138 55.859 58.000 -0.006 0.000 0.951 162 F CB 0.505 39.495 39.000 -0.017 0.000 1.344 162 F HN -0.393 nan 8.300 nan 0.000 0.462 163 P HA -0.235 nan 4.420 nan 0.000 0.218 163 P C 0.440 177.717 177.300 -0.037 0.000 1.154 163 P CA 2.145 65.270 63.100 0.042 0.000 0.872 163 P CB 0.199 31.954 31.700 0.091 0.000 0.790 164 E N -0.712 119.504 120.200 0.026 0.000 2.437 164 E HA 0.044 4.373 4.350 -0.034 0.000 0.189 164 E C 0.141 176.532 176.600 -0.348 0.000 1.054 164 E CA -0.327 56.043 56.400 -0.050 0.000 0.874 164 E CB -0.165 29.615 29.700 0.133 0.000 1.011 164 E HN 0.292 nan 8.360 nan 0.000 0.474 165 D N 0.228 120.116 120.400 -0.853 0.000 2.304 165 D HA 0.015 4.634 4.640 -0.034 0.000 0.247 165 D C -0.576 175.468 176.300 -0.426 0.000 1.089 165 D CA -0.056 53.355 54.000 -0.982 0.000 0.910 165 D CB 1.203 41.145 40.800 -1.430 0.000 1.199 165 D HN -0.190 nan 8.370 nan 0.000 0.426 166 S N 2.278 117.809 115.700 -0.282 0.000 2.473 166 S HA 0.416 4.866 4.470 -0.034 0.000 0.312 166 S C 1.085 175.596 174.600 -0.149 0.000 1.087 166 S CA -0.232 57.879 58.200 -0.148 0.000 1.077 166 S CB 0.082 63.241 63.200 -0.068 0.000 1.065 166 S HN 0.519 nan 8.310 nan 0.000 0.510 167 A N 4.824 127.467 122.820 -0.294 0.000 2.024 167 A HA -0.075 4.224 4.320 -0.034 0.000 0.220 167 A C 1.449 178.909 177.584 -0.207 0.000 1.164 167 A CA 1.146 53.035 52.037 -0.248 0.000 0.643 167 A CB -0.795 17.976 19.000 -0.381 0.000 0.806 167 A HN 0.991 nan 8.150 nan 0.000 0.451 168 W N -0.227 121.037 121.300 -0.059 0.000 2.387 168 W HA -0.034 4.610 4.660 -0.027 0.000 0.272 168 W C 2.379 179.010 176.519 0.187 0.000 1.224 168 W CA 0.791 58.096 57.345 -0.065 0.000 1.210 168 W CB -0.162 29.238 29.460 -0.100 0.000 1.125 168 W HN 0.380 nan 8.180 nan 0.000 0.572 169 A N -0.692 122.299 122.820 0.286 0.000 2.167 169 A HA -0.040 4.259 4.320 -0.034 0.000 0.214 169 A C 0.177 177.625 177.584 -0.226 0.000 1.151 169 A CA 0.720 52.841 52.037 0.140 0.000 0.735 169 A CB -0.801 18.209 19.000 0.017 0.000 0.802 169 A HN 0.482 nan 8.150 nan 0.000 0.467 170 H N -0.047 119.156 119.070 0.222 0.000 2.386 170 H HA 0.249 4.797 4.556 -0.013 0.000 0.232 170 H C -2.769 172.598 175.328 0.065 0.000 1.416 170 H CA -2.027 54.091 56.048 0.118 0.000 1.285 170 H CB 0.507 30.317 29.762 0.081 0.000 1.625 170 H HN 0.296 nan 8.280 nan 0.000 0.521 171 P HA -0.010 nan 4.420 nan 0.000 0.271 171 P C 0.044 177.189 177.300 -0.259 0.000 1.218 171 P CA -0.214 62.707 63.100 -0.298 0.000 0.780 171 P CB 2.162 33.727 31.700 -0.225 0.000 0.901 172 V N 3.541 123.219 119.914 -0.393 0.000 2.240 172 V HA 0.124 4.223 4.120 -0.034 0.000 0.265 172 V C 0.745 176.709 176.094 -0.217 0.000 1.073 172 V CA -0.251 61.913 62.300 -0.227 0.000 0.857 172 V CB 0.052 31.743 31.823 -0.220 0.000 1.114 172 V HN 0.548 nan 8.190 nan 0.000 0.469 173 D N 2.897 123.181 120.400 -0.194 0.000 2.371 173 D HA 0.308 4.928 4.640 -0.034 0.000 0.242 173 D C 1.391 177.610 176.300 -0.135 0.000 1.218 173 D CA 1.436 55.256 54.000 -0.300 0.000 0.945 173 D CB 1.529 41.932 40.800 -0.661 0.000 1.137 173 D HN 0.714 nan 8.370 nan 0.000 0.464 174 G N -0.054 108.629 108.800 -0.194 0.000 2.166 174 G HA2 -0.229 3.711 3.960 -0.034 0.000 0.260 174 G HA3 -0.229 3.711 3.960 -0.034 0.000 0.260 174 G C -0.057 174.899 174.900 0.092 0.000 0.986 174 G CA 0.773 45.958 45.100 0.141 0.000 0.683 174 G HN 0.472 nan 8.290 nan 0.000 0.527 175 L N -0.363 120.878 121.223 0.030 0.000 2.436 175 L HA 0.918 5.238 4.340 -0.034 0.000 0.268 175 L C -0.728 176.221 176.870 0.132 0.000 0.974 175 L CA -1.030 53.827 54.840 0.029 0.000 0.826 175 L CB 2.441 44.438 42.059 -0.104 0.000 1.291 175 L HN 0.660 nan 8.230 nan 0.000 0.406 176 V N 3.803 123.829 119.914 0.187 0.000 3.077 176 V HA 0.968 5.067 4.120 -0.034 0.000 0.299 176 V C -1.477 174.693 176.094 0.127 0.000 1.276 176 V CA 0.347 62.802 62.300 0.257 0.000 0.993 176 V CB 2.089 34.099 31.823 0.311 0.000 1.076 176 V HN 1.244 nan 8.190 nan 0.000 0.434 177 A N 4.740 127.630 122.820 0.117 0.000 2.454 177 A HA 0.981 5.280 4.320 -0.034 0.000 0.302 177 A C -2.087 175.490 177.584 -0.012 0.000 1.079 177 A CA -0.473 51.519 52.037 -0.076 0.000 0.731 177 A CB 1.794 20.759 19.000 -0.058 0.000 1.299 177 A HN 0.884 nan 8.150 nan 0.000 0.413 178 Y N 0.154 120.401 120.300 -0.088 0.000 2.393 178 Y HA 0.584 5.114 4.550 -0.032 0.000 0.341 178 Y C 0.179 176.013 175.900 -0.109 0.000 0.988 178 Y CA -1.548 56.477 58.100 -0.125 0.000 1.078 178 Y CB 1.847 40.241 38.460 -0.109 0.000 1.203 178 Y HN 0.768 nan 8.280 nan 0.000 0.453 179 V N -0.774 119.171 119.914 0.052 0.000 2.709 179 V HA 0.538 4.637 4.120 -0.034 0.000 0.308 179 V C -0.852 175.232 176.094 -0.017 0.000 1.062 179 V CA -0.923 61.371 62.300 -0.009 0.000 0.901 179 V CB 2.379 34.170 31.823 -0.054 0.000 1.003 179 V HN 0.719 nan 8.190 nan 0.000 0.425 180 D N 3.226 123.616 120.400 -0.017 0.000 2.411 180 D HA 0.229 4.848 4.640 -0.034 0.000 0.225 180 D C 1.260 177.547 176.300 -0.022 0.000 1.156 180 D CA 0.145 54.133 54.000 -0.020 0.000 0.874 180 D CB 1.869 42.662 40.800 -0.013 0.000 1.034 180 D HN 0.759 nan 8.370 nan 0.000 0.502 181 V N 2.662 122.558 119.914 -0.030 0.000 2.759 181 V HA -0.176 3.923 4.120 -0.034 0.000 0.256 181 V C 1.944 178.039 176.094 0.002 0.000 1.080 181 V CA 1.629 63.913 62.300 -0.025 0.000 1.101 181 V CB -0.996 30.794 31.823 -0.056 0.000 0.698 181 V HN 0.482 nan 8.190 nan 0.000 0.477 182 V N -0.110 119.810 119.914 0.011 0.000 2.426 182 V HA 0.021 4.121 4.120 -0.034 0.000 0.242 182 V C 2.529 178.626 176.094 0.005 0.000 1.036 182 V CA 1.688 64.002 62.300 0.024 0.000 1.044 182 V CB -0.677 31.167 31.823 0.035 0.000 0.688 182 V HN 0.636 nan 8.190 nan 0.000 0.462 183 S N -0.575 115.124 115.700 -0.002 0.000 2.561 183 S HA 0.081 4.531 4.470 -0.034 0.000 0.225 183 S C 0.996 175.592 174.600 -0.006 0.000 0.977 183 S CA 0.468 58.665 58.200 -0.006 0.000 0.926 183 S CB -0.744 62.451 63.200 -0.008 0.000 0.769 183 S HN 0.711 nan 8.310 nan 0.000 0.533 184 K N 1.674 122.071 120.400 -0.007 0.000 3.257 184 K HA -0.175 4.124 4.320 -0.034 0.000 0.270 184 K C -0.562 176.029 176.600 -0.015 0.000 0.984 184 K CA 1.139 57.420 56.287 -0.010 0.000 0.739 184 K CB -1.717 30.781 32.500 -0.003 0.000 1.351 184 K HN 0.943 nan 8.250 nan 0.000 0.463 185 E N -1.558 118.632 120.200 -0.018 0.000 2.331 185 E HA 0.393 4.722 4.350 -0.034 0.000 0.275 185 E C -0.634 175.952 176.600 -0.024 0.000 0.895 185 E CA -1.230 55.159 56.400 -0.019 0.000 0.753 185 E CB 1.749 31.441 29.700 -0.013 0.000 1.216 185 E HN -0.051 nan 8.360 nan 0.000 0.434 186 V N 3.024 122.920 119.914 -0.030 0.000 2.387 186 V HA 0.029 4.129 4.120 -0.034 0.000 0.260 186 V C 1.538 177.621 176.094 -0.018 0.000 1.054 186 V CA 0.559 62.838 62.300 -0.035 0.000 0.967 186 V CB 0.216 32.009 31.823 -0.049 0.000 1.036 186 V HN 0.984 nan 8.190 nan 0.000 0.481 187 T N 2.637 117.190 114.554 -0.001 0.000 2.904 187 T HA 0.094 4.423 4.350 -0.034 0.000 0.267 187 T C 0.822 175.510 174.700 -0.018 0.000 1.059 187 T CA 0.604 62.707 62.100 0.005 0.000 1.137 187 T CB 0.276 69.165 68.868 0.035 0.000 0.879 187 T HN 0.533 nan 8.240 nan 0.000 0.467 188 R N -0.799 119.672 120.500 -0.048 0.000 2.629 188 R HA 0.623 4.942 4.340 -0.034 0.000 0.266 188 R C -2.248 173.930 176.300 -0.203 0.000 1.051 188 R CA -0.689 55.322 56.100 -0.148 0.000 0.895 188 R CB 2.803 32.958 30.300 -0.241 0.000 1.246 188 R HN 0.061 nan 8.270 nan 0.000 0.459 189 V N 4.290 124.118 119.914 -0.144 0.000 2.462 189 V HA 0.428 4.527 4.120 -0.034 0.000 0.288 189 V C -0.487 175.561 176.094 -0.077 0.000 1.020 189 V CA -0.539 61.730 62.300 -0.051 0.000 0.857 189 V CB 1.630 33.505 31.823 0.086 0.000 1.013 189 V HN 0.563 nan 8.190 nan 0.000 0.431 190 I N 4.011 124.514 120.570 -0.113 0.000 2.321 190 I HA 0.447 4.596 4.170 -0.034 0.000 0.291 190 I C -0.490 175.628 176.117 0.001 0.000 0.998 190 I CA -0.073 61.186 61.300 -0.069 0.000 1.227 190 I CB 1.476 39.422 38.000 -0.091 0.000 1.368 190 I HN 0.482 nan 8.210 nan 0.000 0.466 191 D N 4.888 125.290 120.400 0.004 0.000 2.420 191 D HA 0.124 4.743 4.640 -0.034 0.000 0.255 191 D C 0.900 177.222 176.300 0.037 0.000 1.185 191 D CA -0.319 53.690 54.000 0.015 0.000 0.904 191 D CB 1.391 42.182 40.800 -0.016 0.000 1.102 191 D HN 0.635 nan 8.370 nan 0.000 0.534 192 T N 0.270 114.873 114.554 0.083 0.000 3.129 192 T HA 0.446 4.775 4.350 -0.034 0.000 0.251 192 T C 0.898 175.658 174.700 0.100 0.000 1.117 192 T CA 0.330 62.491 62.100 0.102 0.000 1.034 192 T CB 0.120 69.077 68.868 0.149 0.000 0.968 192 T HN 0.532 nan 8.240 nan 0.000 0.526 193 G N 0.029 108.879 108.800 0.084 0.000 2.317 193 G HA2 0.277 4.217 3.960 -0.034 0.000 0.445 193 G HA3 0.277 4.217 3.960 -0.034 0.000 0.445 193 G C -1.246 173.651 174.900 -0.005 0.000 1.486 193 G CA -0.722 44.367 45.100 -0.018 0.000 0.991 193 G HN 0.297 nan 8.290 nan 0.000 0.660 194 V N 0.953 120.792 119.914 -0.125 0.000 2.555 194 V HA 0.623 4.722 4.120 -0.034 0.000 0.286 194 V C -0.153 175.805 176.094 -0.227 0.000 1.044 194 V CA 0.234 62.485 62.300 -0.082 0.000 1.026 194 V CB 0.648 32.417 31.823 -0.090 0.000 0.981 194 V HN 0.534 nan 8.190 nan 0.000 0.480 195 F N 4.482 124.400 119.950 -0.052 0.000 2.540 195 F HA 0.552 5.052 4.527 -0.046 0.000 0.317 195 F C -2.033 173.743 175.800 -0.039 0.000 1.104 195 F CA -2.503 55.471 58.000 -0.042 0.000 0.913 195 F CB 1.617 40.591 39.000 -0.043 0.000 1.170 195 F HN 0.335 nan 8.300 nan 0.000 0.450 196 P HA 0.098 nan 4.420 nan 0.000 0.265 196 P C -0.799 176.555 177.300 0.090 0.000 1.193 196 P CA -0.148 62.999 63.100 0.078 0.000 0.765 196 P CB 0.523 32.262 31.700 0.064 0.000 0.823 197 V N 6.576 126.524 119.914 0.056 0.000 2.455 197 V HA 0.147 4.246 4.120 -0.034 0.000 0.273 197 V C -1.846 174.306 176.094 0.097 0.000 1.045 197 V CA -1.508 60.827 62.300 0.059 0.000 0.976 197 V CB 0.423 32.263 31.823 0.028 0.000 0.993 197 V HN 0.581 nan 8.190 nan 0.000 0.475 198 P HA -0.019 nan 4.420 nan 0.000 0.259 198 P C 0.518 177.968 177.300 0.250 0.000 1.163 198 P CA 0.484 63.662 63.100 0.130 0.000 0.760 198 P CB 0.691 32.429 31.700 0.062 0.000 0.762 199 A N 4.015 126.941 122.820 0.176 0.000 1.898 199 A HA -0.078 4.222 4.320 -0.034 0.000 0.214 199 A C 0.840 178.593 177.584 0.282 0.000 1.183 199 A CA 0.790 52.939 52.037 0.187 0.000 0.622 199 A CB -0.592 18.471 19.000 0.105 0.000 0.824 199 A HN 0.562 nan 8.150 nan 0.000 0.444 200 E N 0.406 120.732 120.200 0.209 0.000 2.437 200 E HA 0.209 4.539 4.350 -0.034 0.000 0.263 200 E C -0.200 176.569 176.600 0.281 0.000 1.030 200 E CA 0.140 56.648 56.400 0.180 0.000 0.934 200 E CB 0.275 30.031 29.700 0.093 0.000 0.943 200 E HN 0.782 nan 8.360 nan 0.000 0.444 201 H N -0.779 118.465 119.070 0.290 0.000 2.495 201 H HA 0.503 5.036 4.556 -0.039 0.000 0.350 201 H C 0.415 175.848 175.328 0.174 0.000 1.202 201 H CA -0.924 55.259 56.048 0.226 0.000 1.322 201 H CB 1.142 31.052 29.762 0.248 0.000 1.544 201 H HN 0.482 nan 8.280 nan 0.000 0.565 202 G N 1.186 110.149 108.800 0.271 0.000 4.637 202 G HA2 0.066 4.005 3.960 -0.034 0.000 0.294 202 G HA3 0.066 4.005 3.960 -0.034 0.000 0.294 202 G C -0.722 174.152 174.900 -0.042 0.000 1.215 202 G CA -0.681 44.420 45.100 0.001 0.000 0.943 202 G HN 0.625 nan 8.290 nan 0.000 0.572 203 N N 1.701 120.525 118.700 0.206 0.000 2.482 203 N HA 0.111 4.830 4.740 -0.034 0.000 0.242 203 N C 0.712 176.140 175.510 -0.137 0.000 1.100 203 N CA -0.411 52.541 53.050 -0.164 0.000 0.946 203 N CB 0.687 39.068 38.487 -0.177 0.000 1.227 203 N HN 0.546 nan 8.380 nan 0.000 0.508 204 Y N -0.292 119.986 120.300 -0.036 0.000 2.632 204 Y HA 0.014 4.544 4.550 -0.033 0.000 0.301 204 Y C 1.664 177.553 175.900 -0.019 0.000 1.172 204 Y CA 0.182 58.251 58.100 -0.051 0.000 1.328 204 Y CB -0.580 37.812 38.460 -0.113 0.000 1.016 204 Y HN 0.305 nan 8.280 nan 0.000 0.529 205 T N -4.259 110.254 114.554 -0.067 0.000 3.044 205 T HA 0.063 4.392 4.350 -0.034 0.000 0.260 205 T C 0.107 174.803 174.700 -0.006 0.000 1.019 205 T CA -0.283 61.817 62.100 0.001 0.000 0.921 205 T CB -0.087 68.765 68.868 -0.027 0.000 1.053 205 T HN 0.231 nan 8.240 nan 0.000 0.533 206 D N 2.674 123.066 120.400 -0.012 0.000 2.317 206 D HA 0.231 4.850 4.640 -0.034 0.000 0.252 206 D C -1.681 174.644 176.300 0.042 0.000 1.174 206 D CA -2.215 51.784 54.000 -0.001 0.000 0.866 206 D CB 1.995 42.770 40.800 -0.041 0.000 1.127 206 D HN -0.027 nan 8.370 nan 0.000 0.467 207 P HA -0.184 nan 4.420 nan 0.000 0.217 207 P C 1.048 178.379 177.300 0.052 0.000 1.148 207 P CA 1.310 64.430 63.100 0.034 0.000 0.828 207 P CB 0.083 31.794 31.700 0.019 0.000 0.783 208 E N -1.031 119.209 120.200 0.067 0.000 2.265 208 E HA -0.169 4.160 4.350 -0.034 0.000 0.196 208 E C 1.688 178.356 176.600 0.112 0.000 0.996 208 E CA 0.850 57.304 56.400 0.091 0.000 0.832 208 E CB -0.762 29.009 29.700 0.119 0.000 0.756 208 E HN 0.187 nan 8.360 nan 0.000 0.491 209 L N 1.275 122.580 121.223 0.136 0.000 2.388 209 L HA 0.065 4.384 4.340 -0.034 0.000 0.209 209 L C 2.356 179.271 176.870 0.075 0.000 1.061 209 L CA 1.837 56.748 54.840 0.119 0.000 0.834 209 L CB -0.131 42.042 42.059 0.190 0.000 1.029 209 L HN 0.305 nan 8.230 nan 0.000 0.473 210 T N -2.681 111.916 114.554 0.071 0.000 2.985 210 T HA 0.372 4.701 4.350 -0.034 0.000 0.266 210 T C 1.218 175.941 174.700 0.038 0.000 1.076 210 T CA 0.526 62.657 62.100 0.051 0.000 1.135 210 T CB -0.747 68.151 68.868 0.050 0.000 0.890 210 T HN 0.696 nan 8.240 nan 0.000 0.480 211 G N 1.974 110.798 108.800 0.040 0.000 2.750 211 G HA2 -0.072 3.868 3.960 -0.034 0.000 0.228 211 G HA3 -0.072 3.868 3.960 -0.034 0.000 0.228 211 G C -2.829 172.086 174.900 0.024 0.000 1.367 211 G CA -0.695 44.423 45.100 0.030 0.000 0.871 211 G HN 0.541 nan 8.290 nan 0.000 0.560 212 P HA 0.429 nan 4.420 nan 0.000 0.268 212 P C 0.099 177.408 177.300 0.014 0.000 1.204 212 P CA -0.448 62.661 63.100 0.015 0.000 0.768 212 P CB 0.497 32.204 31.700 0.012 0.000 0.842 213 L N 4.048 125.279 121.223 0.013 0.000 2.426 213 L HA 0.156 4.475 4.340 -0.034 0.000 0.271 213 L C 1.208 178.083 176.870 0.008 0.000 1.169 213 L CA 0.290 55.137 54.840 0.012 0.000 0.836 213 L CB -0.130 41.936 42.059 0.012 0.000 1.112 213 L HN 0.317 nan 8.230 nan 0.000 0.465 214 R N 0.950 121.453 120.500 0.006 0.000 2.679 214 R HA 0.157 4.477 4.340 -0.034 0.000 0.268 214 R C 0.568 176.869 176.300 0.003 0.000 1.044 214 R CA 0.678 56.779 56.100 0.003 0.000 1.105 214 R CB 0.022 30.322 30.300 0.001 0.000 0.989 214 R HN 0.787 nan 8.270 nan 0.000 0.447 215 T N -3.954 110.601 114.554 0.002 0.000 3.091 215 T HA -0.006 4.323 4.350 -0.034 0.000 0.277 215 T C 1.275 175.975 174.700 0.000 0.000 0.996 215 T CA 0.026 62.127 62.100 0.002 0.000 0.897 215 T CB 0.335 69.204 68.868 0.002 0.000 1.109 215 T HN 0.671 nan 8.240 nan 0.000 0.534 216 T N -0.394 114.159 114.554 -0.001 0.000 3.081 216 T HA 0.144 4.474 4.350 -0.034 0.000 0.255 216 T C 0.716 175.414 174.700 -0.003 0.000 1.113 216 T CA -0.070 62.029 62.100 -0.002 0.000 1.082 216 T CB -0.361 68.505 68.868 -0.003 0.000 0.939 216 T HN 0.437 nan 8.240 nan 0.000 0.506 217 Q N 2.101 121.899 119.800 -0.003 0.000 2.323 217 Q HA 0.273 4.592 4.340 -0.034 0.000 0.257 217 Q C -0.345 175.653 176.000 -0.003 0.000 1.022 217 Q CA -0.346 55.455 55.803 -0.004 0.000 0.919 217 Q CB 0.783 29.518 28.738 -0.005 0.000 1.220 217 Q HN 0.182 nan 8.270 nan 0.000 0.427 218 K N 3.546 123.944 120.400 -0.004 0.000 2.154 218 K HA 0.339 4.638 4.320 -0.034 0.000 0.264 218 K C -1.914 174.685 176.600 -0.002 0.000 1.008 218 K CA -1.662 54.624 56.287 -0.002 0.000 0.937 218 K CB 0.200 32.698 32.500 -0.003 0.000 1.002 218 K HN 0.500 nan 8.250 nan 0.000 0.469 219 P HA 0.249 nan 4.420 nan 0.000 0.271 219 P C -0.474 176.826 177.300 0.001 0.000 1.218 219 P CA -0.087 63.013 63.100 0.001 0.000 0.780 219 P CB 0.631 32.333 31.700 0.002 0.000 0.901 220 I N 1.230 121.801 120.570 0.002 0.000 2.382 220 I HA 0.128 4.277 4.170 -0.034 0.000 0.285 220 I C 0.433 176.554 176.117 0.006 0.000 1.007 220 I CA -0.548 60.754 61.300 0.003 0.000 1.142 220 I CB 1.644 39.646 38.000 0.003 0.000 1.289 220 I HN 0.290 nan 8.210 nan 0.000 0.453 221 S N 7.843 123.547 115.700 0.008 0.000 2.422 221 S HA 0.596 5.045 4.470 -0.034 0.000 0.298 221 S C -0.502 174.106 174.600 0.014 0.000 1.118 221 S CA -0.431 57.775 58.200 0.010 0.000 1.083 221 S CB 0.199 63.405 63.200 0.009 0.000 0.971 221 S HN 0.448 nan 8.310 nan 0.000 0.478 222 I N 5.480 126.060 120.570 0.016 0.000 2.382 222 I HA 0.367 4.516 4.170 -0.034 0.000 0.285 222 I C 0.202 176.334 176.117 0.024 0.000 1.007 222 I CA -0.378 60.937 61.300 0.024 0.000 1.142 222 I CB 1.696 39.713 38.000 0.028 0.000 1.289 222 I HN 0.693 nan 8.210 nan 0.000 0.453 223 T N 1.795 116.366 114.554 0.029 0.000 2.883 223 T HA 0.519 4.848 4.350 -0.034 0.000 0.296 223 T C -0.781 173.939 174.700 0.033 0.000 1.117 223 T CA -0.881 61.235 62.100 0.026 0.000 1.006 223 T CB 2.278 71.158 68.868 0.019 0.000 1.191 223 T HN 0.493 nan 8.240 nan 0.000 0.508 224 Q N 1.527 121.343 119.800 0.028 0.000 2.616 224 Q HA 0.282 4.602 4.340 -0.034 0.000 0.250 224 Q C -1.862 174.146 176.000 0.014 0.000 0.991 224 Q CA -2.084 53.735 55.803 0.028 0.000 0.707 224 Q CB 2.097 30.855 28.738 0.033 0.000 1.247 224 Q HN 0.572 nan 8.270 nan 0.000 0.491 225 P HA -0.200 nan 4.420 nan 0.000 0.218 225 P C 0.049 177.350 177.300 0.002 0.000 1.146 225 P CA 1.366 64.471 63.100 0.008 0.000 0.813 225 P CB 0.487 32.192 31.700 0.009 0.000 0.778 226 E N -0.442 119.759 120.200 0.001 0.000 2.501 226 E HA 0.373 4.702 4.350 -0.034 0.000 0.200 226 E C 0.850 177.438 176.600 -0.019 0.000 1.016 226 E CA -0.027 56.369 56.400 -0.006 0.000 0.921 226 E CB 0.253 29.952 29.700 -0.002 0.000 1.034 226 E HN 0.222 nan 8.360 nan 0.000 0.468 227 G N 3.051 111.837 108.800 -0.024 0.000 2.796 227 G HA2 -0.202 3.737 3.960 -0.034 0.000 0.571 227 G HA3 -0.202 3.737 3.960 -0.034 0.000 0.571 227 G C -2.668 172.187 174.900 -0.075 0.000 1.370 227 G CA -0.876 44.190 45.100 -0.056 0.000 0.856 227 G HN 0.027 nan 8.290 nan 0.000 0.538 228 P HA 0.355 nan 4.420 nan 0.000 0.274 228 P C 0.531 177.725 177.300 -0.176 0.000 1.246 228 P CA 0.108 63.057 63.100 -0.252 0.000 0.795 228 P CB 1.224 32.446 31.700 -0.796 0.000 1.006 229 S N -0.105 115.624 115.700 0.049 0.000 2.548 229 S HA 0.137 4.586 4.470 -0.034 0.000 0.215 229 S C 0.649 175.417 174.600 0.280 0.000 0.976 229 S CA 0.019 58.315 58.200 0.159 0.000 0.908 229 S CB -0.718 62.629 63.200 0.244 0.000 0.781 229 S HN 0.564 nan 8.310 nan 0.000 0.519 230 F N 1.867 122.017 119.950 0.333 0.000 2.440 230 F HA 0.782 5.289 4.527 -0.034 0.000 0.328 230 F C 0.074 175.962 175.800 0.147 0.000 1.070 230 F CA -1.082 57.098 58.000 0.301 0.000 1.011 230 F CB 0.448 39.600 39.000 0.252 0.000 1.226 230 F HN -0.128 nan 8.300 nan 0.000 0.491 231 T N -0.368 114.387 114.554 0.335 0.000 2.887 231 T HA 0.748 5.077 4.350 -0.034 0.000 0.288 231 T C -1.256 173.606 174.700 0.270 0.000 1.021 231 T CA -0.808 61.410 62.100 0.196 0.000 1.000 231 T CB 1.492 70.441 68.868 0.136 0.000 1.034 231 T HN 0.693 nan 8.240 nan 0.000 0.467 232 V N 3.241 123.282 119.914 0.211 0.000 2.407 232 V HA 0.702 4.802 4.120 -0.034 0.000 0.291 232 V C 0.347 176.533 176.094 0.154 0.000 1.018 232 V CA -0.647 61.768 62.300 0.192 0.000 0.842 232 V CB 1.237 33.177 31.823 0.195 0.000 0.996 232 V HN 1.295 nan 8.190 nan 0.000 0.426 233 T N 0.101 114.764 114.554 0.180 0.000 2.916 233 T HA 0.688 5.018 4.350 -0.034 0.000 0.292 233 T C 0.846 175.637 174.700 0.152 0.000 1.055 233 T CA -0.079 62.112 62.100 0.152 0.000 1.009 233 T CB 1.773 70.733 68.868 0.153 0.000 1.118 233 T HN 1.726 nan 8.240 nan 0.000 0.497 234 G N -0.162 108.697 108.800 0.098 0.000 2.233 234 G HA2 0.095 4.034 3.960 -0.034 0.000 0.270 234 G HA3 0.095 4.034 3.960 -0.034 0.000 0.270 234 G C 1.345 176.299 174.900 0.090 0.000 1.011 234 G CA 0.976 46.125 45.100 0.082 0.000 0.762 234 G HN 2.397 nan 8.290 nan 0.000 0.511 235 G N -0.104 108.750 108.800 0.089 0.000 2.435 235 G HA2 -0.300 3.639 3.960 -0.034 0.000 0.245 235 G HA3 -0.300 3.639 3.960 -0.034 0.000 0.245 235 G C 0.893 175.845 174.900 0.087 0.000 1.073 235 G CA 1.381 46.528 45.100 0.080 0.000 0.638 235 G HN 2.221 nan 8.290 nan 0.000 0.521 236 N N -0.343 118.421 118.700 0.108 0.000 2.217 236 N HA 0.167 4.886 4.740 -0.034 0.000 0.239 236 N C -0.350 175.228 175.510 0.113 0.000 1.330 236 N CA 0.265 53.371 53.050 0.093 0.000 0.838 236 N CB -0.211 38.324 38.487 0.081 0.000 1.287 236 N HN 0.524 nan 8.380 nan 0.000 0.498 237 H N 1.352 120.457 119.070 0.059 0.000 2.552 237 H HA 0.491 5.026 4.556 -0.034 0.000 0.311 237 H C -0.478 174.895 175.328 0.075 0.000 1.071 237 H CA -0.334 55.749 56.048 0.058 0.000 1.307 237 H CB 0.578 30.379 29.762 0.065 0.000 1.416 237 H HN 0.010 nan 8.280 nan 0.000 0.464 238 I N 4.564 124.898 120.570 -0.393 0.000 2.460 238 I HA 0.303 4.452 4.170 -0.034 0.000 0.298 238 I C -0.087 175.909 176.117 -0.202 0.000 0.989 238 I CA -0.624 60.561 61.300 -0.191 0.000 1.173 238 I CB 1.562 39.466 38.000 -0.161 0.000 1.338 238 I HN 0.705 nan 8.210 nan 0.000 0.456 239 E N 4.845 125.083 120.200 0.063 0.000 2.263 239 E HA 0.405 4.734 4.350 -0.034 0.000 0.268 239 E C -1.868 174.934 176.600 0.336 0.000 0.884 239 E CA -0.627 55.864 56.400 0.151 0.000 0.766 239 E CB 2.807 32.591 29.700 0.141 0.000 1.196 239 E HN 0.573 nan 8.360 nan 0.000 0.416 240 W N 3.837 125.212 121.300 0.124 0.000 3.544 240 W HA 0.157 4.797 4.660 -0.034 0.000 0.326 240 W C -0.768 175.862 176.519 0.185 0.000 1.137 240 W CA -0.364 57.082 57.345 0.169 0.000 1.252 240 W CB 0.965 30.524 29.460 0.166 0.000 1.302 240 W HN 0.368 nan 8.180 nan 0.000 0.467 241 E N 5.753 125.629 120.200 -0.541 0.000 2.183 241 E HA -0.318 4.011 4.350 -0.034 0.000 0.196 241 E C 0.565 176.892 176.600 -0.454 0.000 1.364 241 E CA 1.893 57.907 56.400 -0.642 0.000 0.700 241 E CB -1.039 27.895 29.700 -1.276 0.000 1.106 241 E HN 0.892 nan 8.360 nan 0.000 0.347 242 K N -3.775 116.380 120.400 -0.408 0.000 3.615 242 K HA -0.244 4.056 4.320 -0.034 0.000 0.269 242 K C 0.147 176.335 176.600 -0.687 0.000 1.107 242 K CA 1.723 57.592 56.287 -0.697 0.000 1.059 242 K CB -1.351 30.360 32.500 -1.315 0.000 1.317 242 K HN 0.263 nan 8.250 nan 0.000 0.494 243 W N 1.663 122.802 121.300 -0.270 0.000 2.251 243 W HA 0.449 5.089 4.660 -0.034 0.000 0.329 243 W C 0.614 177.126 176.519 -0.012 0.000 1.234 243 W CA -0.055 57.272 57.345 -0.031 0.000 1.228 243 W CB 1.457 31.046 29.460 0.215 0.000 1.135 243 W HN -0.012 nan 8.180 nan 0.000 0.576 244 S N 3.988 119.857 115.700 0.280 0.000 2.575 244 S HA 0.818 5.267 4.470 -0.034 0.000 0.278 244 S C -1.144 173.488 174.600 0.053 0.000 1.139 244 S CA -0.733 57.527 58.200 0.099 0.000 0.954 244 S CB 0.103 63.377 63.200 0.124 0.000 1.054 244 S HN 0.568 nan 8.310 nan 0.000 0.483 245 L N 1.079 122.212 121.223 -0.151 0.000 2.940 245 L HA 0.756 5.075 4.340 -0.034 0.000 0.270 245 L C -2.091 174.664 176.870 -0.192 0.000 1.030 245 L CA -1.072 53.691 54.840 -0.127 0.000 0.928 245 L CB 1.629 43.618 42.059 -0.116 0.000 1.506 245 L HN 0.396 nan 8.230 nan 0.000 0.405 246 D N 1.914 122.264 120.400 -0.083 0.000 2.505 246 D HA 0.480 5.100 4.640 -0.034 0.000 0.249 246 D C -0.598 175.698 176.300 -0.006 0.000 1.082 246 D CA -0.203 53.802 54.000 0.009 0.000 0.839 246 D CB 3.128 43.970 40.800 0.070 0.000 1.317 246 D HN 0.621 nan 8.370 nan 0.000 0.497 247 V N 0.081 119.992 119.914 -0.004 0.000 2.334 247 V HA 0.755 4.854 4.120 -0.034 0.000 0.267 247 V C 0.575 176.711 176.094 0.070 0.000 1.040 247 V CA -0.481 61.806 62.300 -0.021 0.000 0.866 247 V CB 0.819 32.607 31.823 -0.058 0.000 1.019 247 V HN 0.481 nan 8.190 nan 0.000 0.468 248 G N 3.614 112.490 108.800 0.126 0.000 2.511 248 G HA2 0.726 4.665 3.960 -0.034 0.000 0.316 248 G HA3 0.726 4.665 3.960 -0.034 0.000 0.316 248 G C -1.492 173.498 174.900 0.151 0.000 1.210 248 G CA -0.734 44.474 45.100 0.180 0.000 0.969 248 G HN 0.861 nan 8.290 nan 0.000 0.492 249 F N -0.157 119.768 119.950 -0.042 0.000 2.588 249 F HA 0.501 5.007 4.527 -0.035 0.000 0.314 249 F C -1.542 174.206 175.800 -0.087 0.000 1.134 249 F CA -0.948 56.982 58.000 -0.117 0.000 0.961 249 F CB 2.574 41.490 39.000 -0.139 0.000 1.239 249 F HN 0.517 nan 8.300 nan 0.000 0.448 250 D N 3.756 123.719 120.400 -0.727 0.000 2.646 250 D HA 0.299 4.919 4.640 -0.034 0.000 0.245 250 D C 0.222 176.134 176.300 -0.646 0.000 1.099 250 D CA -0.527 53.213 54.000 -0.434 0.000 0.849 250 D CB 2.439 43.125 40.800 -0.190 0.000 1.448 250 D HN 0.381 nan 8.370 nan 0.000 0.489 251 V N 4.406 124.145 119.914 -0.293 0.000 2.568 251 V HA -0.145 3.955 4.120 -0.034 0.000 0.253 251 V C 1.977 178.002 176.094 -0.114 0.000 1.072 251 V CA 2.256 64.448 62.300 -0.179 0.000 1.084 251 V CB -0.363 31.417 31.823 -0.071 0.000 0.676 251 V HN 0.632 nan 8.190 nan 0.000 0.469 252 R N -0.583 119.903 120.500 -0.023 0.000 2.064 252 R HA -0.002 4.317 4.340 -0.034 0.000 0.221 252 R C 2.187 178.418 176.300 -0.115 0.000 1.136 252 R CA 1.434 57.514 56.100 -0.034 0.000 0.980 252 R CB -0.175 30.075 30.300 -0.084 0.000 0.876 252 R HN 0.572 nan 8.270 nan 0.000 0.437 253 E N -0.457 119.651 120.200 -0.153 0.000 2.385 253 E HA 0.137 4.467 4.350 -0.034 0.000 0.194 253 E C 0.679 177.098 176.600 -0.302 0.000 1.013 253 E CA 0.354 56.669 56.400 -0.143 0.000 0.866 253 E CB 0.615 30.279 29.700 -0.060 0.000 0.832 253 E HN 0.565 nan 8.360 nan 0.000 0.500 254 G N 0.830 109.240 108.800 -0.650 0.000 2.496 254 G HA2 -0.298 3.641 3.960 -0.034 0.000 0.243 254 G HA3 -0.298 3.641 3.960 -0.034 0.000 0.243 254 G C -0.092 174.206 174.900 -1.002 0.000 1.176 254 G CA -0.328 44.075 45.100 -1.161 0.000 0.940 254 G HN 0.100 nan 8.290 nan 0.000 0.573 255 V N 0.723 120.227 119.914 -0.684 0.000 2.585 255 V HA 0.440 4.540 4.120 -0.034 0.000 0.296 255 V C 0.718 176.751 176.094 -0.101 0.000 1.035 255 V CA 0.152 62.367 62.300 -0.142 0.000 1.084 255 V CB 1.023 32.932 31.823 0.143 0.000 0.953 255 V HN 0.927 nan 8.190 nan 0.000 0.483 256 V N 6.578 126.386 119.914 -0.176 0.000 2.531 256 V HA 0.455 4.554 4.120 -0.034 0.000 0.301 256 V C -0.259 175.579 176.094 -0.427 0.000 1.034 256 V CA -0.610 61.502 62.300 -0.313 0.000 0.865 256 V CB 1.882 33.543 31.823 -0.270 0.000 0.995 256 V HN 0.616 nan 8.190 nan 0.000 0.424 257 L N 4.967 125.797 121.223 -0.655 0.000 2.289 257 L HA 0.621 4.940 4.340 -0.034 0.000 0.285 257 L C -0.305 176.215 176.870 -0.584 0.000 1.049 257 L CA -0.515 53.976 54.840 -0.581 0.000 0.804 257 L CB 0.883 42.500 42.059 -0.737 0.000 1.195 257 L HN 0.605 nan 8.230 nan 0.000 0.428 258 H N 3.579 122.477 119.070 -0.286 0.000 2.569 258 H HA 0.263 4.798 4.556 -0.034 0.000 0.357 258 H C -0.183 174.940 175.328 -0.342 0.000 1.153 258 H CA -0.685 55.168 56.048 -0.325 0.000 1.193 258 H CB 1.920 31.443 29.762 -0.398 0.000 1.602 258 H HN 0.579 nan 8.280 nan 0.000 0.523 259 N N 1.455 120.022 118.700 -0.221 0.000 2.705 259 N HA -0.205 4.514 4.740 -0.034 0.000 0.255 259 N C -0.247 175.206 175.510 -0.096 0.000 1.008 259 N CA 0.502 53.434 53.050 -0.196 0.000 0.742 259 N CB -1.328 36.989 38.487 -0.283 0.000 0.906 259 N HN 0.545 nan 8.380 nan 0.000 0.541 260 I N 0.477 120.996 120.570 -0.085 0.000 2.587 260 I HA 0.206 4.355 4.170 -0.034 0.000 0.284 260 I C 1.036 177.211 176.117 0.097 0.000 1.134 260 I CA 0.247 61.562 61.300 0.025 0.000 1.410 260 I CB 0.416 38.413 38.000 -0.006 0.000 1.392 260 I HN 0.333 nan 8.210 nan 0.000 0.545 261 A N 7.061 129.998 122.820 0.196 0.000 2.527 261 A HA 0.793 5.093 4.320 -0.034 0.000 0.293 261 A C -1.548 176.160 177.584 0.206 0.000 1.117 261 A CA -0.448 51.686 52.037 0.162 0.000 0.723 261 A CB 1.623 20.678 19.000 0.092 0.000 1.313 261 A HN 0.529 nan 8.150 nan 0.000 0.411 262 F N 0.465 120.392 119.950 -0.039 0.000 2.518 262 F HA 0.649 5.156 4.527 -0.035 0.000 0.323 262 F C 0.215 176.015 175.800 0.000 0.000 1.129 262 F CA -0.612 57.294 58.000 -0.157 0.000 0.920 262 F CB 1.775 40.602 39.000 -0.287 0.000 1.160 262 F HN 0.582 nan 8.300 nan 0.000 0.440 263 R N 3.909 124.242 120.500 -0.278 0.000 2.357 263 R HA 0.143 4.462 4.340 -0.034 0.000 0.330 263 R C -1.187 175.164 176.300 0.084 0.000 1.102 263 R CA 0.176 56.216 56.100 -0.099 0.000 0.974 263 R CB -0.437 29.744 30.300 -0.198 0.000 1.002 263 R HN 0.501 nan 8.270 nan 0.000 0.463 264 D N 4.008 124.552 120.400 0.240 0.000 2.493 264 D HA 0.353 4.972 4.640 -0.034 0.000 0.235 264 D C 0.811 177.194 176.300 0.139 0.000 1.117 264 D CA 0.903 55.086 54.000 0.305 0.000 0.930 264 D CB 0.475 41.489 40.800 0.356 0.000 1.010 264 D HN 0.668 nan 8.370 nan 0.000 0.514 265 G N 4.736 113.591 108.800 0.092 0.000 2.595 265 G HA2 -0.415 3.524 3.960 -0.034 0.000 0.297 265 G HA3 -0.415 3.524 3.960 -0.034 0.000 0.297 265 G C 0.889 175.805 174.900 0.027 0.000 1.181 265 G CA 0.674 45.803 45.100 0.047 0.000 0.963 265 G HN 0.558 nan 8.290 nan 0.000 0.541 266 D N 1.177 121.591 120.400 0.023 0.000 2.249 266 D HA 0.163 4.783 4.640 -0.034 0.000 0.205 266 D C 1.440 177.749 176.300 0.015 0.000 0.962 266 D CA 1.245 55.253 54.000 0.014 0.000 0.860 266 D CB -0.107 40.698 40.800 0.009 0.000 0.955 266 D HN 0.950 nan 8.370 nan 0.000 0.505 267 R N 0.307 120.820 120.500 0.022 0.000 2.540 267 R HA 0.449 4.769 4.340 -0.034 0.000 0.287 267 R C -0.546 175.778 176.300 0.041 0.000 0.980 267 R CA -1.020 55.093 56.100 0.021 0.000 0.966 267 R CB 1.391 31.695 30.300 0.007 0.000 1.106 267 R HN 0.011 nan 8.270 nan 0.000 0.480 268 L N 3.943 125.188 121.223 0.036 0.000 2.270 268 L HA 0.351 4.670 4.340 -0.034 0.000 0.286 268 L C -0.638 176.270 176.870 0.064 0.000 1.059 268 L CA -0.400 54.471 54.840 0.052 0.000 0.839 268 L CB 0.444 42.527 42.059 0.041 0.000 1.221 268 L HN 0.743 nan 8.230 nan 0.000 0.431 269 R N 6.889 127.460 120.500 0.119 0.000 2.221 269 R HA 0.404 4.724 4.340 -0.034 0.000 0.327 269 R C -2.252 174.141 176.300 0.155 0.000 1.033 269 R CA -1.635 54.548 56.100 0.138 0.000 0.887 269 R CB 0.778 31.191 30.300 0.189 0.000 1.057 269 R HN 0.509 nan 8.270 nan 0.000 0.455 270 P HA 0.090 nan 4.420 nan 0.000 0.275 270 P C -0.155 177.128 177.300 -0.028 0.000 1.228 270 P CA 0.056 63.142 63.100 -0.023 0.000 0.786 270 P CB 1.259 32.872 31.700 -0.144 0.000 0.927 271 I N 0.956 121.451 120.570 -0.125 0.000 3.746 271 I HA 0.255 4.405 4.170 -0.034 0.000 0.262 271 I C 0.704 176.679 176.117 -0.238 0.000 1.153 271 I CA 0.181 61.309 61.300 -0.286 0.000 1.395 271 I CB 0.401 38.121 38.000 -0.466 0.000 1.589 271 I HN 0.141 nan 8.210 nan 0.000 0.441 272 I N 1.195 121.659 120.570 -0.176 0.000 2.499 272 I HA 0.178 4.327 4.170 -0.034 0.000 0.288 272 I C 0.298 176.329 176.117 -0.144 0.000 1.048 272 I CA -0.254 60.955 61.300 -0.151 0.000 1.062 272 I CB 2.128 40.044 38.000 -0.141 0.000 1.238 272 I HN 0.012 nan 8.210 nan 0.000 0.426 273 N N 4.603 123.234 118.700 -0.115 0.000 2.216 273 N HA 0.013 4.732 4.740 -0.034 0.000 0.183 273 N C 0.393 175.834 175.510 -0.115 0.000 1.017 273 N CA 1.309 54.313 53.050 -0.077 0.000 0.861 273 N CB 0.402 38.944 38.487 0.092 0.000 0.986 273 N HN 0.559 nan 8.380 nan 0.000 0.428 274 R N -0.594 119.808 120.500 -0.164 0.000 2.535 274 R HA 0.590 4.909 4.340 -0.034 0.000 0.274 274 R C -2.094 174.021 176.300 -0.309 0.000 1.090 274 R CA -0.625 55.299 56.100 -0.293 0.000 0.930 274 R CB 1.383 31.549 30.300 -0.222 0.000 1.223 274 R HN 0.080 nan 8.270 nan 0.000 0.441 275 A N 2.293 124.855 122.820 -0.429 0.000 2.356 275 A HA 0.753 5.052 4.320 -0.034 0.000 0.310 275 A C -1.092 176.243 177.584 -0.415 0.000 1.075 275 A CA -0.408 51.391 52.037 -0.396 0.000 0.746 275 A CB 1.613 20.279 19.000 -0.557 0.000 1.221 275 A HN 0.831 nan 8.150 nan 0.000 0.443 276 S N 1.340 116.984 115.700 -0.094 0.000 2.567 276 S HA 0.570 5.019 4.470 -0.034 0.000 0.270 276 S C -1.014 173.702 174.600 0.194 0.000 1.152 276 S CA -0.744 57.501 58.200 0.074 0.000 0.835 276 S CB 0.721 63.883 63.200 -0.063 0.000 1.115 276 S HN 0.616 nan 8.310 nan 0.000 0.459 277 I N 2.528 123.240 120.570 0.236 0.000 2.311 277 I HA 0.301 4.450 4.170 -0.034 0.000 0.297 277 I C 1.588 177.791 176.117 0.143 0.000 1.131 277 I CA -0.256 61.153 61.300 0.182 0.000 1.289 277 I CB -0.287 37.895 38.000 0.303 0.000 1.446 277 I HN 0.960 nan 8.210 nan 0.000 0.524 278 A N 5.082 127.968 122.820 0.110 0.000 2.121 278 A HA -0.025 4.274 4.320 -0.034 0.000 0.218 278 A C 0.872 178.511 177.584 0.091 0.000 1.154 278 A CA 1.161 53.292 52.037 0.156 0.000 0.679 278 A CB 0.001 19.117 19.000 0.193 0.000 0.795 278 A HN 0.663 nan 8.150 nan 0.000 0.458 279 E N -2.226 117.965 120.200 -0.014 0.000 2.388 279 E HA 0.602 4.931 4.350 -0.034 0.000 0.280 279 E C -1.288 175.277 176.600 -0.058 0.000 1.019 279 E CA -0.353 55.983 56.400 -0.106 0.000 0.806 279 E CB 0.876 30.331 29.700 -0.407 0.000 1.246 279 E HN 0.166 nan 8.360 nan 0.000 0.443 280 M N 3.896 123.479 119.600 -0.029 0.000 2.238 280 M HA 0.517 4.977 4.480 -0.034 0.000 0.278 280 M C -1.936 174.234 176.300 -0.217 0.000 1.040 280 M CA -0.878 54.309 55.300 -0.189 0.000 0.969 280 M CB 1.675 34.165 32.600 -0.184 0.000 1.694 280 M HN 0.423 nan 8.290 nan 0.000 0.472 281 V N 5.830 125.549 119.914 -0.325 0.000 2.604 281 V HA 0.704 4.804 4.120 -0.034 0.000 0.305 281 V C -1.361 174.461 176.094 -0.454 0.000 1.043 281 V CA -0.323 61.690 62.300 -0.479 0.000 0.888 281 V CB 2.256 33.731 31.823 -0.580 0.000 0.995 281 V HN 0.654 nan 8.190 nan 0.000 0.429 282 V N 8.949 128.662 119.914 -0.337 0.000 2.276 282 V HA 0.416 4.515 4.120 -0.034 0.000 0.268 282 V C -2.412 173.611 176.094 -0.119 0.000 1.032 282 V CA -1.305 60.823 62.300 -0.287 0.000 0.810 282 V CB 1.343 33.029 31.823 -0.229 0.000 1.060 282 V HN 0.808 nan 8.190 nan 0.000 0.446 283 P HA 0.357 nan 4.420 nan 0.000 0.290 283 P C -1.334 175.869 177.300 -0.162 0.000 1.276 283 P CA -0.400 62.635 63.100 -0.110 0.000 0.808 283 P CB 1.173 32.776 31.700 -0.160 0.000 0.966 284 Y N 0.784 121.046 120.300 -0.063 0.000 2.323 284 Y HA 0.449 4.980 4.550 -0.033 0.000 0.331 284 Y C 1.765 177.654 175.900 -0.017 0.000 1.092 284 Y CA 0.280 58.369 58.100 -0.018 0.000 1.150 284 Y CB 1.302 39.709 38.460 -0.089 0.000 1.200 284 Y HN 0.482 nan 8.280 nan 0.000 0.472 285 G N 1.423 110.288 108.800 0.109 0.000 3.609 285 G HA2 0.000 3.940 3.960 -0.034 0.000 0.280 285 G HA3 0.000 3.940 3.960 -0.034 0.000 0.280 285 G C -0.642 174.313 174.900 0.091 0.000 1.155 285 G CA -0.187 44.972 45.100 0.099 0.000 0.876 285 G HN 0.514 nan 8.290 nan 0.000 0.535 286 D N 1.127 121.574 120.400 0.077 0.000 2.359 286 D HA 0.243 4.862 4.640 -0.034 0.000 0.230 286 D C -1.015 175.282 176.300 -0.006 0.000 1.118 286 D CA -2.434 51.573 54.000 0.012 0.000 0.844 286 D CB 2.191 43.001 40.800 0.017 0.000 1.059 286 D HN 0.040 nan 8.370 nan 0.000 0.493 287 P HA -0.059 nan 4.420 nan 0.000 0.239 287 P C 0.414 177.722 177.300 0.013 0.000 1.184 287 P CA 0.039 63.145 63.100 0.010 0.000 0.760 287 P CB 0.165 31.876 31.700 0.018 0.000 0.884 288 S N 2.366 118.062 115.700 -0.006 0.000 2.552 288 S HA 0.066 4.515 4.470 -0.034 0.000 0.289 288 S C -0.865 173.764 174.600 0.048 0.000 1.304 288 S CA -1.024 57.182 58.200 0.009 0.000 1.063 288 S CB 0.168 63.347 63.200 -0.035 0.000 0.848 288 S HN 0.044 nan 8.310 nan 0.000 0.499 289 P HA -0.098 nan 4.420 nan 0.000 0.225 289 P C 1.317 178.792 177.300 0.292 0.000 1.148 289 P CA 0.714 63.933 63.100 0.198 0.000 0.779 289 P CB -0.053 31.761 31.700 0.191 0.000 0.780 290 I N -0.258 120.430 120.570 0.196 0.000 2.546 290 I HA -0.070 4.079 4.170 -0.034 0.000 0.255 290 I C 2.049 178.308 176.117 0.237 0.000 1.163 290 I CA 1.206 62.663 61.300 0.263 0.000 1.457 290 I CB -0.937 37.122 38.000 0.097 0.000 1.092 290 I HN 0.053 nan 8.210 nan 0.000 0.434 291 R N -0.687 119.742 120.500 -0.118 0.000 2.539 291 R HA 0.093 4.413 4.340 -0.034 0.000 0.342 291 R C 1.861 177.724 176.300 -0.728 0.000 0.941 291 R CA 0.502 56.221 56.100 -0.636 0.000 1.146 291 R CB 0.243 30.335 30.300 -0.348 0.000 1.541 291 R HN 0.246 nan 8.270 nan 0.000 0.525 292 S N 0.873 116.375 115.700 -0.329 0.000 2.537 292 S HA -0.120 4.330 4.470 -0.034 0.000 0.240 292 S C 1.369 175.889 174.600 -0.134 0.000 0.981 292 S CA 0.518 58.626 58.200 -0.152 0.000 0.948 292 S CB -0.416 62.789 63.200 0.007 0.000 0.759 292 S HN 0.620 nan 8.310 nan 0.000 0.531 293 W N 0.515 121.828 121.300 0.023 0.000 3.114 293 W HA 0.371 5.008 4.660 -0.039 0.000 0.279 293 W C 0.561 177.075 176.519 -0.009 0.000 1.277 293 W CA -0.574 56.762 57.345 -0.016 0.000 1.630 293 W CB -0.667 28.757 29.460 -0.060 0.000 1.087 293 W HN 0.286 nan 8.180 nan 0.000 0.637 294 Q N 3.103 122.404 119.800 -0.832 0.000 2.244 294 Q HA 0.054 4.374 4.340 -0.034 0.000 0.278 294 Q C -0.769 175.162 176.000 -0.115 0.000 1.093 294 Q CA 0.913 56.291 55.803 -0.708 0.000 0.916 294 Q CB 0.069 28.130 28.738 -1.128 0.000 1.159 294 Q HN 0.031 nan 8.270 nan 0.000 0.384 295 N N 4.630 123.345 118.700 0.025 0.000 2.578 295 N HA 0.135 4.854 4.740 -0.034 0.000 0.282 295 N C -1.917 173.701 175.510 0.181 0.000 1.119 295 N CA -0.438 52.693 53.050 0.136 0.000 0.948 295 N CB 1.036 39.608 38.487 0.142 0.000 1.546 295 N HN 0.397 nan 8.380 nan 0.000 0.525 296 Y N 0.845 121.180 120.300 0.057 0.000 2.320 296 Y HA 0.449 4.977 4.550 -0.036 0.000 0.334 296 Y C 0.141 176.045 175.900 0.007 0.000 1.055 296 Y CA -0.659 57.549 58.100 0.180 0.000 1.143 296 Y CB 0.722 39.214 38.460 0.053 0.000 1.193 296 Y HN 0.372 nan 8.280 nan 0.000 0.477 297 F N 2.642 122.845 119.950 0.421 0.000 2.334 297 F HA 0.253 4.760 4.527 -0.035 0.000 0.343 297 F C 0.649 176.663 175.800 0.357 0.000 1.136 297 F CA -0.926 57.234 58.000 0.267 0.000 1.237 297 F CB 0.228 39.331 39.000 0.172 0.000 1.525 297 F HN 0.548 nan 8.300 nan 0.000 0.528 298 D N -0.227 120.380 120.400 0.345 0.000 2.133 298 D HA -0.212 4.408 4.640 -0.034 0.000 0.192 298 D C 2.039 178.544 176.300 0.342 0.000 1.001 298 D CA 2.079 56.264 54.000 0.308 0.000 0.844 298 D CB -0.023 40.817 40.800 0.066 0.000 0.944 298 D HN 0.348 nan 8.370 nan 0.000 0.447 299 T N -0.745 113.940 114.554 0.219 0.000 2.732 299 T HA -0.017 4.312 4.350 -0.034 0.000 0.261 299 T C 2.082 176.820 174.700 0.063 0.000 1.040 299 T CA 1.312 63.488 62.100 0.127 0.000 1.145 299 T CB -0.744 68.158 68.868 0.056 0.000 0.866 299 T HN 0.307 nan 8.240 nan 0.000 0.427 300 G N 1.095 109.936 108.800 0.068 0.000 2.394 300 G HA2 -0.115 3.825 3.960 -0.034 0.000 0.215 300 G HA3 -0.115 3.825 3.960 -0.034 0.000 0.215 300 G C 1.443 176.345 174.900 0.002 0.000 1.165 300 G CA 0.505 45.564 45.100 -0.068 0.000 0.784 300 G HN 0.520 nan 8.290 nan 0.000 0.535 301 E N -0.988 119.310 120.200 0.162 0.000 2.166 301 E HA 0.078 4.407 4.350 -0.034 0.000 0.192 301 E C 1.874 178.502 176.600 0.046 0.000 0.967 301 E CA 0.425 56.858 56.400 0.054 0.000 0.840 301 E CB 0.048 29.763 29.700 0.026 0.000 0.795 301 E HN 0.566 nan 8.360 nan 0.000 0.470 302 Y N 0.113 120.594 120.300 0.301 0.000 2.479 302 Y HA 0.287 4.816 4.550 -0.035 0.000 0.283 302 Y C 0.191 176.324 175.900 0.388 0.000 1.109 302 Y CA -0.018 58.347 58.100 0.441 0.000 1.239 302 Y CB 0.508 39.268 38.460 0.500 0.000 1.108 302 Y HN -0.169 nan 8.280 nan 0.000 0.548 303 L N 0.751 122.211 121.223 0.395 0.000 2.586 303 L HA -0.183 4.137 4.340 -0.034 0.000 0.690 303 L C 0.958 177.978 176.870 0.251 0.000 1.053 303 L CA -0.034 54.937 54.840 0.219 0.000 1.383 303 L CB -1.572 40.574 42.059 0.144 0.000 2.057 303 L HN 0.144 nan 8.230 nan 0.000 0.951 304 V N -0.588 119.467 119.914 0.236 0.000 2.568 304 V HA -0.115 3.985 4.120 -0.034 0.000 0.253 304 V C 2.157 178.400 176.094 0.249 0.000 1.072 304 V CA 2.200 64.676 62.300 0.294 0.000 1.084 304 V CB -0.509 31.444 31.823 0.216 0.000 0.676 304 V HN 0.854 nan 8.190 nan 0.000 0.469 305 G N -0.252 108.564 108.800 0.026 0.000 2.422 305 G HA2 -0.289 3.650 3.960 -0.034 0.000 0.218 305 G HA3 -0.289 3.650 3.960 -0.034 0.000 0.218 305 G C 1.559 176.553 174.900 0.156 0.000 1.140 305 G CA 0.851 45.922 45.100 -0.048 0.000 0.775 305 G HN 0.664 nan 8.290 nan 0.000 0.545 306 Q N -0.653 119.137 119.800 -0.017 0.000 2.170 306 Q HA -0.121 4.198 4.340 -0.034 0.000 0.203 306 Q C 1.081 176.921 176.000 -0.267 0.000 0.976 306 Q CA 1.112 56.788 55.803 -0.211 0.000 0.858 306 Q CB -0.184 28.268 28.738 -0.477 0.000 0.907 306 Q HN 0.589 nan 8.270 nan 0.000 0.433 307 Y N -0.083 120.379 120.300 0.271 0.000 2.625 307 Y HA 0.465 4.995 4.550 -0.033 0.000 0.285 307 Y C 0.344 176.423 175.900 0.297 0.000 1.168 307 Y CA -0.389 57.869 58.100 0.263 0.000 1.250 307 Y CB -0.120 38.495 38.460 0.258 0.000 1.130 307 Y HN 0.102 nan 8.280 nan 0.000 0.526 308 A N 1.105 124.176 122.820 0.418 0.000 2.540 308 A HA 0.117 4.416 4.320 -0.034 0.000 0.239 308 A C 0.274 178.056 177.584 0.331 0.000 1.061 308 A CA -0.323 51.993 52.037 0.464 0.000 0.758 308 A CB -0.015 19.262 19.000 0.462 0.000 0.991 308 A HN 0.364 nan 8.150 nan 0.000 0.502 309 N N 1.172 120.074 118.700 0.336 0.000 2.513 309 N HA 0.242 4.961 4.740 -0.034 0.000 0.274 309 N C -0.406 175.197 175.510 0.156 0.000 1.189 309 N CA -0.166 53.020 53.050 0.226 0.000 0.975 309 N CB 0.906 39.517 38.487 0.206 0.000 1.157 309 N HN 0.486 nan 8.380 nan 0.000 0.465 310 S N 0.993 116.744 115.700 0.084 0.000 2.448 310 S HA 0.259 4.709 4.470 -0.034 0.000 0.279 310 S C 0.382 174.985 174.600 0.005 0.000 1.195 310 S CA -0.602 57.606 58.200 0.014 0.000 1.051 310 S CB -0.124 63.066 63.200 -0.016 0.000 0.948 310 S HN 0.235 nan 8.310 nan 0.000 0.493 311 L N 4.087 125.313 121.223 0.004 0.000 2.313 311 L HA 0.255 4.575 4.340 -0.034 0.000 0.282 311 L C 0.599 177.459 176.870 -0.016 0.000 1.092 311 L CA -0.468 54.404 54.840 0.053 0.000 0.831 311 L CB 0.282 42.470 42.059 0.214 0.000 1.159 311 L HN 0.448 nan 8.230 nan 0.000 0.442 312 E N 3.424 123.632 120.200 0.013 0.000 2.290 312 E HA 0.146 4.476 4.350 -0.034 0.000 0.277 312 E C -0.369 176.284 176.600 0.088 0.000 1.035 312 E CA -0.733 55.674 56.400 0.012 0.000 0.873 312 E CB 1.867 31.569 29.700 0.003 0.000 1.029 312 E HN 0.281 nan 8.360 nan 0.000 0.419 313 L N 2.066 123.361 121.223 0.119 0.000 2.455 313 L HA 0.260 4.579 4.340 -0.034 0.000 0.272 313 L C 1.247 178.165 176.870 0.079 0.000 1.174 313 L CA 1.517 56.459 54.840 0.170 0.000 0.869 313 L CB 0.323 42.503 42.059 0.202 0.000 1.130 313 L HN 0.779 nan 8.230 nan 0.000 0.474 314 G N 2.130 110.963 108.800 0.055 0.000 2.195 314 G HA2 -0.289 3.650 3.960 -0.034 0.000 0.246 314 G HA3 -0.289 3.650 3.960 -0.034 0.000 0.246 314 G C 0.674 175.584 174.900 0.017 0.000 0.984 314 G CA 0.250 45.366 45.100 0.027 0.000 0.633 314 G HN 0.784 nan 8.290 nan 0.000 0.525 315 C N -0.858 118.455 119.300 0.021 0.000 2.605 315 C HA 0.329 4.769 4.460 -0.034 0.000 0.364 315 C C 2.100 177.090 174.990 0.000 0.000 1.656 315 C CA 1.155 60.175 59.018 0.003 0.000 2.400 315 C CB -0.295 27.442 27.740 -0.005 0.000 2.132 315 C HN 0.447 nan 8.230 nan 0.000 0.668 316 D N 0.236 120.646 120.400 0.017 0.000 2.162 316 D HA 0.044 4.663 4.640 -0.034 0.000 0.205 316 D C 0.192 176.543 176.300 0.084 0.000 0.964 316 D CA 1.151 55.169 54.000 0.029 0.000 0.847 316 D CB 0.122 40.942 40.800 0.033 0.000 0.988 316 D HN 0.412 nan 8.370 nan 0.000 0.480 317 c N 1.717 120.364 118.600 0.078 0.000 2.346 317 c HA 0.547 5.096 4.570 -0.034 0.000 0.326 317 c C -0.315 173.735 174.090 -0.067 0.000 1.224 317 c CA -1.121 55.208 56.329 0.001 0.000 1.408 317 c CB 0.870 43.394 42.510 0.023 0.000 2.089 317 c HN 0.159 nan 8.230 nan 0.000 0.456 318 L N 3.940 125.081 121.223 -0.136 0.000 2.325 318 L HA 0.973 5.292 4.340 -0.034 0.000 0.278 318 L C 0.490 177.263 176.870 -0.162 0.000 1.023 318 L CA 1.701 56.480 54.840 -0.102 0.000 0.811 318 L CB 1.147 43.179 42.059 -0.045 0.000 1.249 318 L HN 1.133 nan 8.230 nan 0.000 0.431 319 G N 3.128 111.879 108.800 -0.081 0.000 2.428 319 G HA2 -0.156 3.784 3.960 -0.034 0.000 0.202 319 G HA3 -0.156 3.784 3.960 -0.034 0.000 0.202 319 G C -1.058 173.819 174.900 -0.038 0.000 1.247 319 G CA -0.208 44.863 45.100 -0.050 0.000 1.020 319 G HN 0.760 nan 8.290 nan 0.000 0.529 320 D N 0.878 121.280 120.400 0.004 0.000 2.422 320 D HA 0.464 5.084 4.640 -0.034 0.000 0.227 320 D C -0.168 176.148 176.300 0.027 0.000 1.190 320 D CA -0.039 53.971 54.000 0.016 0.000 0.905 320 D CB 0.196 41.015 40.800 0.031 0.000 1.034 320 D HN 0.331 nan 8.370 nan 0.000 0.507 321 I N 2.112 122.645 120.570 -0.061 0.000 2.392 321 I HA 0.180 4.330 4.170 -0.034 0.000 0.295 321 I C 0.693 176.689 176.117 -0.202 0.000 0.985 321 I CA -0.316 60.882 61.300 -0.171 0.000 1.221 321 I CB 2.071 39.796 38.000 -0.458 0.000 1.366 321 I HN 0.069 nan 8.210 nan 0.000 0.467 322 T N 5.475 119.969 114.554 -0.100 0.000 2.770 322 T HA 0.513 4.842 4.350 -0.034 0.000 0.283 322 T C -0.765 173.851 174.700 -0.140 0.000 0.988 322 T CA -0.300 61.797 62.100 -0.004 0.000 0.957 322 T CB 0.255 69.294 68.868 0.285 0.000 0.930 322 T HN 0.118 nan 8.240 nan 0.000 0.443 323 Y N 1.926 122.279 120.300 0.087 0.000 2.453 323 Y HA 0.672 5.202 4.550 -0.034 0.000 0.326 323 Y C 0.203 176.119 175.900 0.027 0.000 1.186 323 Y CA -1.357 56.772 58.100 0.048 0.000 1.200 323 Y CB 1.046 39.525 38.460 0.033 0.000 1.247 323 Y HN 0.350 nan 8.280 nan 0.000 0.482 324 L N 1.204 122.542 121.223 0.193 0.000 2.385 324 L HA 0.462 4.781 4.340 -0.034 0.000 0.273 324 L C -0.789 176.083 176.870 0.004 0.000 0.990 324 L CA -0.591 54.289 54.840 0.068 0.000 0.821 324 L CB 2.075 44.143 42.059 0.014 0.000 1.279 324 L HN 0.541 nan 8.230 nan 0.000 0.412 325 S N 3.864 119.544 115.700 -0.032 0.000 2.426 325 S HA 0.335 4.784 4.470 -0.034 0.000 0.236 325 S C -2.309 172.213 174.600 -0.130 0.000 1.368 325 S CA -1.042 57.105 58.200 -0.088 0.000 1.154 325 S CB 0.695 63.864 63.200 -0.053 0.000 1.037 325 S HN 0.386 nan 8.310 nan 0.000 0.481 326 P HA 0.222 nan 4.420 nan 0.000 0.272 326 P C -0.726 176.480 177.300 -0.156 0.000 1.223 326 P CA -0.282 62.656 63.100 -0.271 0.000 0.784 326 P CB 0.762 32.021 31.700 -0.734 0.000 0.923 327 V N 3.525 123.417 119.914 -0.037 0.000 2.555 327 V HA 0.493 4.592 4.120 -0.034 0.000 0.302 327 V C 0.667 176.797 176.094 0.060 0.000 1.038 327 V CA -0.625 61.678 62.300 0.006 0.000 0.887 327 V CB 1.353 33.186 31.823 0.016 0.000 0.991 327 V HN 0.516 nan 8.190 nan 0.000 0.434 328 I N 0.631 121.231 120.570 0.051 0.000 3.206 328 I HA 0.825 4.975 4.170 -0.034 0.000 0.313 328 I C -0.210 175.917 176.117 0.016 0.000 1.103 328 I CA -0.639 60.693 61.300 0.054 0.000 0.985 328 I CB 2.328 40.373 38.000 0.074 0.000 1.240 328 I HN 0.533 nan 8.210 nan 0.000 0.464 329 S N 0.972 116.664 115.700 -0.012 0.000 2.578 329 S HA 0.432 4.882 4.470 -0.034 0.000 0.283 329 S C -0.682 173.910 174.600 -0.014 0.000 1.195 329 S CA -0.548 57.640 58.200 -0.020 0.000 1.050 329 S CB 0.874 64.044 63.200 -0.050 0.000 1.012 329 S HN 0.815 nan 8.310 nan 0.000 0.511 330 D N 2.179 122.584 120.400 0.008 0.000 2.506 330 D HA 0.454 5.073 4.640 -0.034 0.000 0.272 330 D C 1.125 177.389 176.300 -0.060 0.000 1.214 330 D CA -0.275 53.728 54.000 0.006 0.000 1.067 330 D CB 0.196 41.038 40.800 0.070 0.000 1.117 330 D HN 0.484 nan 8.370 nan 0.000 0.578 331 A N -1.091 121.623 122.820 -0.176 0.000 2.178 331 A HA -0.029 4.270 4.320 -0.034 0.000 0.218 331 A C 1.179 178.430 177.584 -0.555 0.000 1.157 331 A CA 0.789 52.588 52.037 -0.396 0.000 0.689 331 A CB -0.930 17.722 19.000 -0.581 0.000 0.787 331 A HN 0.446 nan 8.150 nan 0.000 0.465 332 F N -1.833 118.135 119.950 0.031 0.000 2.682 332 F HA 0.408 4.914 4.527 -0.035 0.000 0.308 332 F C 1.690 177.492 175.800 0.004 0.000 1.093 332 F CA 0.121 58.133 58.000 0.020 0.000 1.244 332 F CB 0.329 39.341 39.000 0.019 0.000 1.052 332 F HN 0.286 nan 8.300 nan 0.000 0.573 333 G N 0.228 109.090 108.800 0.104 0.000 2.175 333 G HA2 -0.257 3.682 3.960 -0.034 0.000 0.244 333 G HA3 -0.257 3.682 3.960 -0.034 0.000 0.244 333 G C 0.035 174.957 174.900 0.037 0.000 0.982 333 G CA -0.428 44.700 45.100 0.046 0.000 0.641 333 G HN 0.250 nan 8.290 nan 0.000 0.527 334 N N 2.249 120.995 118.700 0.077 0.000 2.514 334 N HA 0.403 5.122 4.740 -0.034 0.000 0.277 334 N C -2.466 173.062 175.510 0.030 0.000 1.126 334 N CA -0.987 52.095 53.050 0.054 0.000 0.978 334 N CB 1.652 40.190 38.487 0.084 0.000 1.106 334 N HN 0.221 nan 8.380 nan 0.000 0.461 335 P HA 0.174 nan 4.420 nan 0.000 0.276 335 P C -0.602 176.708 177.300 0.018 0.000 1.230 335 P CA -0.119 62.984 63.100 0.005 0.000 0.776 335 P CB 1.140 32.835 31.700 -0.008 0.000 0.888 336 R N 1.977 122.489 120.500 0.019 0.000 2.476 336 R HA 0.257 4.577 4.340 -0.034 0.000 0.305 336 R C -0.375 175.932 176.300 0.012 0.000 0.965 336 R CA -0.596 55.518 56.100 0.024 0.000 0.867 336 R CB 1.334 31.656 30.300 0.036 0.000 1.176 336 R HN 0.471 nan 8.270 nan 0.000 0.447 337 E N 5.047 125.249 120.200 0.003 0.000 2.301 337 E HA 0.171 4.500 4.350 -0.034 0.000 0.275 337 E C -0.678 175.906 176.600 -0.026 0.000 1.030 337 E CA -0.491 55.898 56.400 -0.018 0.000 0.852 337 E CB 0.919 30.608 29.700 -0.019 0.000 1.060 337 E HN 0.571 nan 8.360 nan 0.000 0.401 338 I N 5.433 125.965 120.570 -0.064 0.000 2.377 338 I HA 0.209 4.359 4.170 -0.034 0.000 0.282 338 I C 0.575 176.639 176.117 -0.088 0.000 1.091 338 I CA -0.474 60.786 61.300 -0.067 0.000 1.207 338 I CB 0.468 38.398 38.000 -0.118 0.000 1.429 338 I HN 0.378 nan 8.210 nan 0.000 0.491 339 R N 6.351 126.812 120.500 -0.065 0.000 2.502 339 R HA -0.038 4.282 4.340 -0.034 0.000 0.292 339 R C 0.221 176.439 176.300 -0.137 0.000 0.998 339 R CA 0.382 56.427 56.100 -0.090 0.000 1.056 339 R CB 0.251 30.502 30.300 -0.082 0.000 0.939 339 R HN 0.636 nan 8.270 nan 0.000 0.411 340 N N 2.367 120.962 118.700 -0.174 0.000 2.727 340 N HA -0.182 4.538 4.740 -0.034 0.000 0.249 340 N C 0.602 176.073 175.510 -0.065 0.000 1.048 340 N CA 1.079 53.965 53.050 -0.272 0.000 0.714 340 N CB -1.274 36.732 38.487 -0.802 0.000 0.959 340 N HN 0.892 nan 8.380 nan 0.000 0.544 341 G N -0.825 107.947 108.800 -0.046 0.000 2.572 341 G HA2 0.205 4.144 3.960 -0.034 0.000 0.216 341 G HA3 0.205 4.144 3.960 -0.034 0.000 0.216 341 G C 0.565 175.507 174.900 0.070 0.000 1.133 341 G CA 0.263 45.353 45.100 -0.017 0.000 0.791 341 G HN 0.458 nan 8.290 nan 0.000 0.538 342 I N 0.469 121.089 120.570 0.084 0.000 2.447 342 I HA 0.297 4.446 4.170 -0.034 0.000 0.287 342 I C -0.734 175.508 176.117 0.208 0.000 1.023 342 I CA -0.899 60.479 61.300 0.130 0.000 1.083 342 I CB 2.334 40.343 38.000 0.016 0.000 1.245 342 I HN -0.183 nan 8.210 nan 0.000 0.434 343 c N 7.063 125.765 118.600 0.171 0.000 2.341 343 c HA 0.686 5.236 4.570 -0.034 0.000 0.338 343 c C 0.082 174.168 174.090 -0.007 0.000 1.257 343 c CA -0.467 55.906 56.329 0.073 0.000 1.883 343 c CB 0.613 43.199 42.510 0.127 0.000 2.334 343 c HN 0.664 nan 8.230 nan 0.000 0.524 344 M N 5.622 125.174 119.600 -0.079 0.000 2.267 344 M HA 0.500 4.959 4.480 -0.034 0.000 0.289 344 M C -0.689 175.544 176.300 -0.111 0.000 1.043 344 M CA -0.167 55.003 55.300 -0.216 0.000 0.928 344 M CB 1.877 34.275 32.600 -0.338 0.000 1.613 344 M HN 0.956 nan 8.290 nan 0.000 0.450 345 H N 0.961 119.829 119.070 -0.337 0.000 2.987 345 H HA 0.446 4.981 4.556 -0.034 0.000 0.316 345 H C -2.125 173.085 175.328 -0.197 0.000 1.380 345 H CA -1.002 54.991 56.048 -0.091 0.000 1.160 345 H CB 1.153 30.911 29.762 -0.006 0.000 1.865 345 H HN 0.766 nan 8.280 nan 0.000 0.521 346 E N 1.384 121.595 120.200 0.018 0.000 2.212 346 E HA 0.539 4.868 4.350 -0.034 0.000 0.270 346 E C -0.869 175.782 176.600 0.085 0.000 0.956 346 E CA -0.918 55.403 56.400 -0.132 0.000 0.825 346 E CB 2.700 32.480 29.700 0.132 0.000 1.167 346 E HN 0.733 nan 8.360 nan 0.000 0.400 347 E N 1.566 121.794 120.200 0.046 0.000 2.366 347 E HA 0.229 4.559 4.350 -0.034 0.000 0.278 347 E C -1.483 175.253 176.600 0.228 0.000 0.923 347 E CA -1.006 55.498 56.400 0.172 0.000 0.761 347 E CB 1.434 31.254 29.700 0.199 0.000 1.231 347 E HN 0.527 nan 8.360 nan 0.000 0.443 348 D N 1.509 122.051 120.400 0.237 0.000 2.443 348 D HA -0.064 4.555 4.640 -0.034 0.000 0.239 348 D C -0.930 175.592 176.300 0.370 0.000 1.136 348 D CA 0.211 54.359 54.000 0.246 0.000 0.879 348 D CB 0.539 41.430 40.800 0.153 0.000 1.195 348 D HN 0.519 nan 8.370 nan 0.000 0.443 349 W N 5.817 127.165 121.300 0.080 0.000 1.340 349 W HA 0.377 5.016 4.660 -0.035 0.000 0.301 349 W C 0.275 176.830 176.519 0.060 0.000 0.834 349 W CA 0.030 57.419 57.345 0.074 0.000 2.473 349 W CB 0.112 29.662 29.460 0.150 0.000 1.837 349 W HN 0.848 nan 8.180 nan 0.000 0.528 350 G N 1.860 110.609 108.800 -0.085 0.000 2.575 350 G HA2 -0.341 3.599 3.960 -0.034 0.000 0.267 350 G HA3 -0.341 3.599 3.960 -0.034 0.000 0.267 350 G C -0.302 174.584 174.900 -0.023 0.000 1.264 350 G CA -0.143 44.883 45.100 -0.124 0.000 0.935 350 G HN 0.221 nan 8.290 nan 0.000 0.568 351 I N 0.986 121.531 120.570 -0.042 0.000 2.496 351 I HA 0.211 4.360 4.170 -0.034 0.000 0.285 351 I C 1.612 177.752 176.117 0.039 0.000 1.080 351 I CA -0.341 60.958 61.300 -0.002 0.000 1.404 351 I CB 1.233 39.224 38.000 -0.015 0.000 1.403 351 I HN 0.573 nan 8.210 nan 0.000 0.539 352 L N 7.361 128.625 121.223 0.067 0.000 2.200 352 L HA 0.464 4.784 4.340 -0.034 0.000 0.200 352 L C 0.603 177.527 176.870 0.091 0.000 1.072 352 L CA 1.067 55.967 54.840 0.100 0.000 0.787 352 L CB 0.058 42.189 42.059 0.119 0.000 0.957 352 L HN 0.680 nan 8.230 nan 0.000 0.459 353 A N -0.432 122.450 122.820 0.103 0.000 2.574 353 A HA 0.671 4.971 4.320 -0.034 0.000 0.297 353 A C -1.111 176.585 177.584 0.185 0.000 1.062 353 A CA -0.582 51.547 52.037 0.155 0.000 0.686 353 A CB 1.184 20.327 19.000 0.239 0.000 1.285 353 A HN 0.080 nan 8.150 nan 0.000 0.403 354 K N 0.913 121.433 120.400 0.200 0.000 2.557 354 K HA 0.582 4.882 4.320 -0.034 0.000 0.261 354 K C -2.203 174.548 176.600 0.252 0.000 0.932 354 K CA -0.524 55.889 56.287 0.211 0.000 0.829 354 K CB 1.786 34.343 32.500 0.096 0.000 1.358 354 K HN 1.122 nan 8.250 nan 0.000 0.430 355 H N 0.310 119.460 119.070 0.133 0.000 3.155 355 H HA 0.332 4.867 4.556 -0.034 0.000 0.328 355 H C -1.980 173.379 175.328 0.050 0.000 1.059 355 H CA -0.392 55.688 56.048 0.054 0.000 1.378 355 H CB 1.700 31.468 29.762 0.009 0.000 1.998 355 H HN 0.434 nan 8.280 nan 0.000 0.480 356 S N 4.230 119.606 115.700 -0.540 0.000 2.461 356 S HA 0.181 4.631 4.470 -0.034 0.000 0.322 356 S C -0.633 173.502 174.600 -0.774 0.000 1.063 356 S CA -0.665 57.259 58.200 -0.460 0.000 1.120 356 S CB 0.507 63.577 63.200 -0.218 0.000 0.968 356 S HN 0.648 nan 8.310 nan 0.000 0.467 357 D N 2.210 122.227 120.400 -0.638 0.000 2.274 357 D HA 0.296 4.916 4.640 -0.034 0.000 0.239 357 D C 0.948 177.143 176.300 -0.176 0.000 1.104 357 D CA -0.582 53.191 54.000 -0.380 0.000 0.840 357 D CB 0.830 41.593 40.800 -0.061 0.000 1.100 357 D HN 0.269 nan 8.370 nan 0.000 0.477 358 L N 5.461 126.553 121.223 -0.217 0.000 1.994 358 L HA -0.038 4.282 4.340 -0.034 0.000 0.208 358 L C 1.427 178.309 176.870 0.019 0.000 1.071 358 L CA 1.582 56.330 54.840 -0.153 0.000 0.745 358 L CB -0.374 41.525 42.059 -0.267 0.000 0.892 358 L HN 0.613 nan 8.230 nan 0.000 0.431 359 W N -0.217 121.089 121.300 0.009 0.000 2.363 359 W HA -0.110 4.529 4.660 -0.034 0.000 0.296 359 W C 2.934 179.457 176.519 0.006 0.000 1.212 359 W CA 1.501 58.852 57.345 0.010 0.000 1.260 359 W CB -1.695 27.776 29.460 0.018 0.000 1.131 359 W HN 0.547 nan 8.180 nan 0.000 0.530 360 S N -1.127 114.709 115.700 0.227 0.000 2.503 360 S HA 0.301 4.750 4.470 -0.034 0.000 0.217 360 S C 1.762 176.407 174.600 0.076 0.000 0.999 360 S CA 0.774 59.053 58.200 0.132 0.000 0.914 360 S CB -0.035 63.233 63.200 0.115 0.000 0.782 360 S HN 0.403 nan 8.310 nan 0.000 0.520 361 G N 1.287 110.118 108.800 0.052 0.000 2.168 361 G HA2 -0.200 3.740 3.960 -0.034 0.000 0.263 361 G HA3 -0.200 3.740 3.960 -0.034 0.000 0.263 361 G C -0.040 174.864 174.900 0.007 0.000 0.977 361 G CA 0.315 45.427 45.100 0.021 0.000 0.659 361 G HN 0.511 nan 8.290 nan 0.000 0.533 362 I N 1.186 121.762 120.570 0.009 0.000 2.331 362 I HA 0.333 4.482 4.170 -0.034 0.000 0.292 362 I C -0.279 175.834 176.117 -0.007 0.000 0.998 362 I CA -1.168 60.144 61.300 0.019 0.000 1.267 362 I CB 1.058 39.087 38.000 0.048 0.000 1.386 362 I HN -0.021 nan 8.210 nan 0.000 0.476 363 N N 6.515 125.224 118.700 0.015 0.000 2.408 363 N HA 0.287 5.006 4.740 -0.034 0.000 0.280 363 N C -1.116 174.458 175.510 0.107 0.000 1.002 363 N CA -0.344 52.712 53.050 0.009 0.000 0.907 363 N CB 1.988 40.466 38.487 -0.016 0.000 1.161 363 N HN 0.478 nan 8.380 nan 0.000 0.488 364 Y N 1.035 121.317 120.300 -0.031 0.000 2.391 364 Y HA 0.487 5.016 4.550 -0.034 0.000 0.341 364 Y C -1.016 174.892 175.900 0.012 0.000 0.965 364 Y CA -0.337 57.766 58.100 0.005 0.000 1.067 364 Y CB 1.585 40.065 38.460 0.033 0.000 1.199 364 Y HN 0.343 nan 8.280 nan 0.000 0.450 365 T N 6.865 121.238 114.554 -0.302 0.000 2.971 365 T HA 0.585 4.915 4.350 -0.034 0.000 0.304 365 T C -1.298 173.174 174.700 -0.380 0.000 1.038 365 T CA -1.006 60.960 62.100 -0.224 0.000 1.007 365 T CB 1.245 70.054 68.868 -0.098 0.000 1.055 365 T HN 0.419 nan 8.240 nan 0.000 0.451 366 R N 1.917 122.272 120.500 -0.242 0.000 2.686 366 R HA 0.552 4.872 4.340 -0.034 0.000 0.283 366 R C -0.582 175.694 176.300 -0.040 0.000 0.978 366 R CA -0.972 55.024 56.100 -0.173 0.000 0.897 366 R CB 1.910 32.118 30.300 -0.154 0.000 1.192 366 R HN 0.473 nan 8.270 nan 0.000 0.457 367 R N 1.315 121.810 120.500 -0.009 0.000 2.500 367 R HA 0.345 4.664 4.340 -0.034 0.000 0.277 367 R C 0.269 176.633 176.300 0.107 0.000 1.026 367 R CA -0.848 55.279 56.100 0.045 0.000 1.058 367 R CB 0.709 31.037 30.300 0.048 0.000 1.078 367 R HN 0.451 nan 8.270 nan 0.000 0.509 368 N N 0.767 119.568 118.700 0.169 0.000 2.459 368 N HA 0.399 5.118 4.740 -0.034 0.000 0.288 368 N C -0.923 174.798 175.510 0.352 0.000 1.186 368 N CA -0.414 52.801 53.050 0.274 0.000 0.917 368 N CB 1.277 39.971 38.487 0.345 0.000 1.219 368 N HN 0.357 nan 8.380 nan 0.000 0.525 369 R N 0.136 120.892 120.500 0.426 0.000 2.774 369 R HA 0.492 4.811 4.340 -0.034 0.000 0.272 369 R C -0.825 175.730 176.300 0.426 0.000 1.000 369 R CA -0.891 55.480 56.100 0.451 0.000 0.906 369 R CB 2.483 33.095 30.300 0.521 0.000 1.227 369 R HN 0.653 nan 8.270 nan 0.000 0.468 370 R N 1.801 122.335 120.500 0.057 0.000 2.673 370 R HA 0.455 4.774 4.340 -0.034 0.000 0.281 370 R C -1.333 174.471 176.300 -0.827 0.000 0.991 370 R CA -0.908 54.876 56.100 -0.527 0.000 0.896 370 R CB 1.872 31.487 30.300 -1.141 0.000 1.201 370 R HN 0.476 nan 8.270 nan 0.000 0.457 371 M N 3.366 122.176 119.600 -1.317 0.000 2.188 371 M HA 0.304 4.763 4.480 -0.034 0.000 0.357 371 M C -1.563 174.219 176.300 -0.863 0.000 1.204 371 M CA -0.521 53.925 55.300 -1.425 0.000 1.095 371 M CB 1.532 33.073 32.600 -1.766 0.000 1.604 371 M HN 0.463 nan 8.290 nan 0.000 0.464 372 V N 7.128 126.572 119.914 -0.783 0.000 2.495 372 V HA 0.575 4.674 4.120 -0.034 0.000 0.298 372 V C -0.449 175.376 176.094 -0.448 0.000 1.031 372 V CA -0.583 61.400 62.300 -0.529 0.000 0.871 372 V CB 1.501 32.966 31.823 -0.597 0.000 0.988 372 V HN 0.791 nan 8.190 nan 0.000 0.432 373 I N 4.625 125.029 120.570 -0.276 0.000 2.468 373 I HA 0.660 4.809 4.170 -0.034 0.000 0.285 373 I C -0.148 175.935 176.117 -0.057 0.000 1.039 373 I CA -0.018 61.183 61.300 -0.164 0.000 1.074 373 I CB 2.012 39.923 38.000 -0.149 0.000 1.228 373 I HN 0.804 nan 8.210 nan 0.000 0.436 374 S N 5.586 121.253 115.700 -0.055 0.000 2.656 374 S HA 0.872 5.321 4.470 -0.034 0.000 0.273 374 S C -1.001 173.665 174.600 0.109 0.000 1.168 374 S CA -0.731 57.383 58.200 -0.144 0.000 0.817 374 S CB 2.647 65.344 63.200 -0.837 0.000 1.146 374 S HN 0.578 nan 8.310 nan 0.000 0.475 375 F N -1.315 118.561 119.950 -0.123 0.000 2.713 375 F HA 0.882 5.389 4.527 -0.034 0.000 0.311 375 F C -2.274 173.603 175.800 0.127 0.000 1.141 375 F CA -1.616 56.424 58.000 0.068 0.000 0.939 375 F CB 0.777 39.866 39.000 0.149 0.000 1.325 375 F HN 0.631 nan 8.300 nan 0.000 0.453 376 F N 0.842 120.809 119.950 0.028 0.000 2.551 376 F HA 0.721 5.227 4.527 -0.035 0.000 0.316 376 F C -0.107 175.804 175.800 0.184 0.000 1.089 376 F CA -0.395 57.605 58.000 -0.000 0.000 0.915 376 F CB 2.376 41.418 39.000 0.071 0.000 1.186 376 F HN 0.875 nan 8.300 nan 0.000 0.456 377 T N 1.688 116.472 114.554 0.383 0.000 2.906 377 T HA 0.632 4.961 4.350 -0.034 0.000 0.295 377 T C -1.253 173.716 174.700 0.449 0.000 1.075 377 T CA -0.352 62.032 62.100 0.473 0.000 1.005 377 T CB 1.448 70.621 68.868 0.509 0.000 1.136 377 T HN 0.550 nan 8.240 nan 0.000 0.498 378 T N 4.201 118.987 114.554 0.386 0.000 2.809 378 T HA 0.551 4.881 4.350 -0.034 0.000 0.284 378 T C -0.704 174.077 174.700 0.135 0.000 0.992 378 T CA -0.571 61.673 62.100 0.241 0.000 0.957 378 T CB 0.521 69.495 68.868 0.177 0.000 0.942 378 T HN 0.422 nan 8.240 nan 0.000 0.439 379 I N 3.903 124.525 120.570 0.087 0.000 2.460 379 I HA 0.380 4.529 4.170 -0.034 0.000 0.277 379 I C 1.310 177.363 176.117 -0.108 0.000 1.057 379 I CA 0.044 61.311 61.300 -0.056 0.000 1.179 379 I CB -0.202 37.819 38.000 0.036 0.000 1.329 379 I HN 0.959 nan 8.210 nan 0.000 0.478 380 G N 6.871 115.591 108.800 -0.133 0.000 2.620 380 G HA2 -0.408 3.532 3.960 -0.034 0.000 0.315 380 G HA3 -0.408 3.532 3.960 -0.034 0.000 0.315 380 G C 0.994 175.816 174.900 -0.130 0.000 1.179 380 G CA 0.739 45.825 45.100 -0.023 0.000 0.971 380 G HN 0.599 nan 8.290 nan 0.000 0.544 381 N N 0.124 118.494 118.700 -0.549 0.000 2.354 381 N HA 0.042 4.761 4.740 -0.034 0.000 0.179 381 N C 0.661 175.753 175.510 -0.697 0.000 1.021 381 N CA 1.179 53.530 53.050 -1.166 0.000 0.887 381 N CB -0.010 37.219 38.487 -2.096 0.000 0.974 381 N HN 0.523 nan 8.380 nan 0.000 0.437 382 Y N 1.230 121.292 120.300 -0.397 0.000 2.376 382 Y HA 0.399 4.930 4.550 -0.031 0.000 0.325 382 Y C -0.485 175.202 175.900 -0.355 0.000 1.199 382 Y CA -1.161 56.692 58.100 -0.411 0.000 1.206 382 Y CB 1.111 39.279 38.460 -0.487 0.000 1.229 382 Y HN -0.049 nan 8.280 nan 0.000 0.480 383 D N 0.853 121.131 120.400 -0.205 0.000 2.757 383 D HA 0.355 4.975 4.640 -0.034 0.000 0.249 383 D C -1.660 174.516 176.300 -0.206 0.000 1.168 383 D CA -0.371 53.619 54.000 -0.018 0.000 0.870 383 D CB 1.142 42.044 40.800 0.171 0.000 1.411 383 D HN 0.233 nan 8.370 nan 0.000 0.525 384 Y N 0.356 120.706 120.300 0.084 0.000 2.409 384 Y HA 0.660 5.189 4.550 -0.034 0.000 0.343 384 Y C 0.764 176.089 175.900 -0.959 0.000 0.973 384 Y CA -1.134 56.787 58.100 -0.297 0.000 1.064 384 Y CB 2.394 40.774 38.460 -0.132 0.000 1.207 384 Y HN 0.436 nan 8.280 nan 0.000 0.452 385 G N 2.400 110.470 108.800 -1.217 0.000 2.416 385 G HA2 0.589 4.528 3.960 -0.034 0.000 0.324 385 G HA3 0.589 4.528 3.960 -0.034 0.000 0.324 385 G C -1.707 172.774 174.900 -0.698 0.000 1.194 385 G CA -0.435 43.809 45.100 -1.427 0.000 0.922 385 G HN 0.337 nan 8.290 nan 0.000 0.467 386 F N 1.658 121.133 119.950 -0.792 0.000 2.402 386 F HA 0.484 4.990 4.527 -0.035 0.000 0.355 386 F C -0.719 174.719 175.800 -0.602 0.000 1.123 386 F CA -0.973 56.728 58.000 -0.499 0.000 1.021 386 F CB 1.685 40.553 39.000 -0.221 0.000 1.160 386 F HN 0.296 nan 8.300 nan 0.000 0.451 387 Y N 1.323 121.112 120.300 -0.851 0.000 2.376 387 Y HA 0.459 4.988 4.550 -0.035 0.000 0.340 387 Y C -1.053 174.052 175.900 -1.325 0.000 0.965 387 Y CA -1.632 55.937 58.100 -0.885 0.000 1.078 387 Y CB 1.401 39.311 38.460 -0.916 0.000 1.193 387 Y HN 0.517 nan 8.280 nan 0.000 0.452 388 W N 3.318 124.242 121.300 -0.627 0.000 2.529 388 W HA 0.614 5.254 4.660 -0.034 0.000 0.321 388 W C -1.439 174.635 176.519 -0.743 0.000 1.047 388 W CA -0.737 56.268 57.345 -0.567 0.000 1.216 388 W CB 1.152 30.461 29.460 -0.251 0.000 1.357 388 W HN 0.317 nan 8.180 nan 0.000 0.489 389 Y N 2.892 123.067 120.300 -0.209 0.000 2.409 389 Y HA 0.652 5.181 4.550 -0.035 0.000 0.343 389 Y C -0.278 175.286 175.900 -0.561 0.000 0.973 389 Y CA -1.679 56.108 58.100 -0.521 0.000 1.064 389 Y CB 1.169 39.210 38.460 -0.698 0.000 1.207 389 Y HN 0.067 nan 8.280 nan 0.000 0.452 390 L N 4.078 124.920 121.223 -0.634 0.000 2.349 390 L HA 0.520 4.839 4.340 -0.034 0.000 0.278 390 L C -1.222 175.413 176.870 -0.391 0.000 0.996 390 L CA -0.831 53.570 54.840 -0.732 0.000 0.825 390 L CB 1.239 42.554 42.059 -1.241 0.000 1.243 390 L HN 0.602 nan 8.230 nan 0.000 0.412 391 Y N 1.877 122.314 120.300 0.229 0.000 2.496 391 Y HA 0.319 4.849 4.550 -0.035 0.000 0.331 391 Y C 1.180 177.538 175.900 0.763 0.000 1.140 391 Y CA -0.719 57.639 58.100 0.429 0.000 1.166 391 Y CB 1.484 40.092 38.460 0.246 0.000 1.249 391 Y HN 0.439 nan 8.280 nan 0.000 0.479 392 L N 0.719 122.379 121.223 0.727 0.000 2.042 392 L HA -0.228 4.092 4.340 -0.034 0.000 0.210 392 L C 1.798 178.916 176.870 0.412 0.000 1.076 392 L CA 1.839 56.968 54.840 0.482 0.000 0.749 392 L CB -0.350 41.875 42.059 0.278 0.000 0.893 392 L HN 0.782 nan 8.230 nan 0.000 0.432 393 D N -0.309 120.294 120.400 0.339 0.000 2.378 393 D HA -0.056 4.564 4.640 -0.034 0.000 0.227 393 D C 1.395 177.753 176.300 0.097 0.000 1.012 393 D CA 0.964 55.048 54.000 0.141 0.000 0.905 393 D CB 0.098 40.960 40.800 0.104 0.000 0.895 393 D HN 0.404 nan 8.370 nan 0.000 0.532 394 G N -0.644 108.375 108.800 0.365 0.000 2.176 394 G HA2 -0.237 3.703 3.960 -0.034 0.000 0.232 394 G HA3 -0.237 3.703 3.960 -0.034 0.000 0.232 394 G C 0.352 175.706 174.900 0.756 0.000 0.986 394 G CA 0.202 45.513 45.100 0.351 0.000 0.643 394 G HN 0.459 nan 8.290 nan 0.000 0.522 395 T N 1.250 116.194 114.554 0.650 0.000 2.907 395 T HA 0.580 4.910 4.350 -0.034 0.000 0.298 395 T C 0.601 175.668 174.700 0.612 0.000 1.017 395 T CA 0.355 62.784 62.100 0.548 0.000 1.118 395 T CB 1.207 70.226 68.868 0.251 0.000 0.948 395 T HN 0.330 nan 8.240 nan 0.000 0.531 396 I N 2.549 123.400 120.570 0.469 0.000 2.474 396 I HA 0.522 4.672 4.170 -0.034 0.000 0.294 396 I C 0.113 176.377 176.117 0.245 0.000 1.005 396 I CA -0.655 60.807 61.300 0.270 0.000 1.113 396 I CB 1.877 40.006 38.000 0.214 0.000 1.289 396 I HN 0.604 nan 8.210 nan 0.000 0.436 397 E N 5.539 125.836 120.200 0.161 0.000 2.366 397 E HA 0.464 4.794 4.350 -0.034 0.000 0.278 397 E C -2.075 174.341 176.600 -0.307 0.000 0.923 397 E CA -0.622 55.772 56.400 -0.009 0.000 0.761 397 E CB 2.767 32.604 29.700 0.229 0.000 1.231 397 E HN 0.431 nan 8.360 nan 0.000 0.443 398 F N 2.373 121.747 119.950 -0.960 0.000 2.546 398 F HA 0.550 5.056 4.527 -0.035 0.000 0.320 398 F C -1.163 174.056 175.800 -0.967 0.000 1.076 398 F CA -0.485 56.730 58.000 -1.308 0.000 0.928 398 F CB 1.823 39.691 39.000 -1.886 0.000 1.189 398 F HN 0.522 nan 8.300 nan 0.000 0.465 399 E N 4.058 123.031 120.200 -2.046 0.000 2.291 399 E HA 0.654 4.983 4.350 -0.034 0.000 0.276 399 E C -1.979 173.744 176.600 -1.462 0.000 0.896 399 E CA -0.938 54.707 56.400 -1.258 0.000 0.774 399 E CB 1.737 31.099 29.700 -0.564 0.000 1.227 399 E HN 0.887 nan 8.360 nan 0.000 0.413 400 A N 4.493 126.744 122.820 -0.947 0.000 2.305 400 A HA 0.552 4.852 4.320 -0.034 0.000 0.322 400 A C -0.731 176.551 177.584 -0.504 0.000 1.187 400 A CA -0.662 50.870 52.037 -0.842 0.000 0.825 400 A CB 0.790 19.122 19.000 -1.112 0.000 1.164 400 A HN 0.546 nan 8.150 nan 0.000 0.498 401 K N 1.702 121.844 120.400 -0.429 0.000 2.425 401 K HA 0.557 4.856 4.320 -0.034 0.000 0.259 401 K C -0.655 175.841 176.600 -0.174 0.000 0.978 401 K CA -0.268 55.873 56.287 -0.243 0.000 0.883 401 K CB 2.057 34.458 32.500 -0.166 0.000 1.110 401 K HN 0.735 nan 8.250 nan 0.000 0.436 402 A N 2.562 125.306 122.820 -0.127 0.000 2.276 402 A HA 0.580 4.879 4.320 -0.034 0.000 0.316 402 A C -0.101 177.377 177.584 -0.177 0.000 1.229 402 A CA -0.240 51.657 52.037 -0.233 0.000 0.851 402 A CB 1.289 20.089 19.000 -0.334 0.000 1.165 402 A HN 0.669 nan 8.150 nan 0.000 0.513 403 T N 0.763 115.203 114.554 -0.191 0.000 2.612 403 T HA 0.796 5.125 4.350 -0.034 0.000 0.296 403 T C 0.292 174.985 174.700 -0.013 0.000 1.148 403 T CA 1.023 63.089 62.100 -0.056 0.000 1.077 403 T CB 0.754 69.625 68.868 0.005 0.000 1.591 403 T HN 2.646 nan 8.240 nan 0.000 0.479 404 G N -0.141 108.630 108.800 -0.049 0.000 2.418 404 G HA2 0.048 3.988 3.960 -0.034 0.000 0.206 404 G HA3 0.048 3.988 3.960 -0.034 0.000 0.206 404 G C -1.276 173.517 174.900 -0.179 0.000 1.202 404 G CA -0.191 44.846 45.100 -0.105 0.000 1.061 404 G HN 1.355 nan 8.290 nan 0.000 0.563 405 V N 1.428 121.134 119.914 -0.347 0.000 2.417 405 V HA 0.607 4.706 4.120 -0.034 0.000 0.291 405 V C 1.133 176.897 176.094 -0.551 0.000 1.024 405 V CA -0.101 61.969 62.300 -0.384 0.000 0.861 405 V CB 1.070 32.599 31.823 -0.490 0.000 0.985 405 V HN 1.726 nan 8.190 nan 0.000 0.436 406 V N 2.601 122.414 119.914 -0.168 0.000 2.843 406 V HA 0.347 4.446 4.120 -0.034 0.000 0.305 406 V C -0.123 175.867 176.094 -0.174 0.000 1.065 406 V CA -0.207 62.014 62.300 -0.132 0.000 1.116 406 V CB 0.306 32.274 31.823 0.242 0.000 0.968 406 V HN 0.610 nan 8.190 nan 0.000 0.487 407 F N 5.025 124.788 119.950 -0.310 0.000 2.504 407 F HA 0.508 5.018 4.527 -0.029 0.000 0.369 407 F C 0.979 176.846 175.800 0.112 0.000 1.082 407 F CA 0.623 58.547 58.000 -0.126 0.000 1.216 407 F CB 0.760 39.697 39.000 -0.106 0.000 1.108 407 F HN 1.029 nan 8.300 nan 0.000 0.554 408 T N 1.689 116.134 114.554 -0.183 0.000 2.937 408 T HA 0.855 5.185 4.350 -0.034 0.000 0.283 408 T C -0.252 174.441 174.700 -0.013 0.000 1.012 408 T CA -0.196 61.899 62.100 -0.009 0.000 0.997 408 T CB 1.609 70.480 68.868 0.004 0.000 1.136 408 T HN 0.755 nan 8.240 nan 0.000 0.551 409 S N -0.572 115.121 115.700 -0.012 0.000 2.727 409 S HA 0.779 5.229 4.470 -0.034 0.000 0.278 409 S C -0.646 173.911 174.600 -0.073 0.000 1.186 409 S CA -0.785 57.373 58.200 -0.069 0.000 0.836 409 S CB 0.740 63.915 63.200 -0.042 0.000 1.186 409 S HN 1.437 nan 8.310 nan 0.000 0.499 410 A N 0.365 123.105 122.820 -0.133 0.000 2.302 410 A HA 0.727 5.026 4.320 -0.034 0.000 0.285 410 A C -0.896 176.708 177.584 0.034 0.000 1.105 410 A CA -0.449 51.562 52.037 -0.042 0.000 0.816 410 A CB -0.025 18.941 19.000 -0.055 0.000 1.067 410 A HN 0.978 nan 8.150 nan 0.000 0.489 411 F N 2.603 122.537 119.950 -0.027 0.000 2.361 411 F HA 0.510 5.014 4.527 -0.039 0.000 0.364 411 F C -2.122 173.706 175.800 0.047 0.000 1.120 411 F CA -2.591 55.401 58.000 -0.013 0.000 1.102 411 F CB 0.963 39.950 39.000 -0.020 0.000 1.183 411 F HN 0.300 nan 8.300 nan 0.000 0.476 412 P HA -0.058 nan 4.420 nan 0.000 0.264 412 P C -0.719 176.452 177.300 -0.215 0.000 1.183 412 P CA 0.050 63.032 63.100 -0.197 0.000 0.763 412 P CB 0.407 31.971 31.700 -0.227 0.000 0.807 413 E N 2.284 122.458 120.200 -0.042 0.000 2.480 413 E HA 0.177 4.506 4.350 -0.034 0.000 0.258 413 E C 0.995 177.565 176.600 -0.050 0.000 0.984 413 E CA 0.729 57.121 56.400 -0.014 0.000 0.930 413 E CB -0.503 29.195 29.700 -0.004 0.000 0.936 413 E HN 0.769 nan 8.360 nan 0.000 0.466 414 G N 2.674 111.461 108.800 -0.021 0.000 2.179 414 G HA2 -0.149 3.790 3.960 -0.034 0.000 0.220 414 G HA3 -0.149 3.790 3.960 -0.034 0.000 0.220 414 G C 0.616 175.487 174.900 -0.049 0.000 0.990 414 G CA -0.050 45.036 45.100 -0.024 0.000 0.646 414 G HN 1.509 nan 8.290 nan 0.000 0.517 415 G N -1.540 107.172 108.800 -0.146 0.000 2.698 415 G HA2 0.437 4.376 3.960 -0.034 0.000 0.225 415 G HA3 0.437 4.376 3.960 -0.034 0.000 0.225 415 G C -0.140 174.534 174.900 -0.376 0.000 1.345 415 G CA 0.988 45.962 45.100 -0.210 0.000 0.871 415 G HN 2.317 nan 8.290 nan 0.000 0.540 416 S N -1.571 114.001 115.700 -0.212 0.000 2.552 416 S HA 0.602 5.051 4.470 -0.034 0.000 0.272 416 S C -0.589 173.986 174.600 -0.041 0.000 1.150 416 S CA 0.511 58.601 58.200 -0.183 0.000 0.849 416 S CB 1.705 64.710 63.200 -0.326 0.000 1.113 416 S HN 0.666 nan 8.310 nan 0.000 0.458 417 D N 1.893 122.264 120.400 -0.048 0.000 2.369 417 D HA 0.229 4.848 4.640 -0.034 0.000 0.211 417 D C 0.216 176.503 176.300 -0.022 0.000 1.077 417 D CA 0.366 54.390 54.000 0.039 0.000 0.842 417 D CB 0.076 40.911 40.800 0.058 0.000 0.947 417 D HN 0.600 nan 8.370 nan 0.000 0.509 418 N N -0.353 118.150 118.700 -0.329 0.000 2.184 418 N HA 0.271 4.991 4.740 -0.034 0.000 0.234 418 N C -0.414 174.344 175.510 -1.254 0.000 1.282 418 N CA 0.003 52.630 53.050 -0.706 0.000 0.877 418 N CB 1.708 40.068 38.487 -0.212 0.000 1.184 418 N HN -0.010 nan 8.380 nan 0.000 0.510 419 I N 0.337 120.315 120.570 -0.986 0.000 2.692 419 I HA 0.340 4.490 4.170 -0.034 0.000 0.293 419 I C -0.678 175.483 176.117 0.074 0.000 1.200 419 I CA -0.946 60.104 61.300 -0.417 0.000 1.036 419 I CB 2.201 40.148 38.000 -0.089 0.000 1.258 419 I HN -0.035 nan 8.210 nan 0.000 0.421 420 S N 3.785 119.689 115.700 0.339 0.000 2.638 420 S HA 0.534 4.984 4.470 -0.034 0.000 0.298 420 S C -0.712 173.906 174.600 0.031 0.000 1.111 420 S CA -0.827 57.588 58.200 0.359 0.000 1.027 420 S CB 2.054 65.522 63.200 0.446 0.000 1.064 420 S HN 0.663 nan 8.310 nan 0.000 0.525 421 Q N 0.604 120.141 119.800 -0.438 0.000 2.278 421 Q HA 0.447 4.766 4.340 -0.034 0.000 0.257 421 Q C -0.066 175.734 176.000 -0.334 0.000 0.928 421 Q CA -0.488 54.874 55.803 -0.736 0.000 0.932 421 Q CB 0.842 28.779 28.738 -1.336 0.000 1.221 421 Q HN 0.833 nan 8.270 nan 0.000 0.434 422 L N 1.954 122.998 121.223 -0.298 0.000 2.357 422 L HA 0.476 4.795 4.340 -0.034 0.000 0.211 422 L C 0.503 177.206 176.870 -0.278 0.000 1.075 422 L CA 0.182 54.864 54.840 -0.264 0.000 0.830 422 L CB 0.387 42.178 42.059 -0.446 0.000 0.996 422 L HN 0.606 nan 8.230 nan 0.000 0.467 423 A N -1.258 121.370 122.820 -0.321 0.000 2.557 423 A HA 0.625 4.924 4.320 -0.034 0.000 0.292 423 A C -2.728 174.765 177.584 -0.151 0.000 1.139 423 A CA -1.012 50.908 52.037 -0.196 0.000 0.665 423 A CB 0.260 19.134 19.000 -0.210 0.000 1.285 423 A HN -0.237 nan 8.150 nan 0.000 0.433 424 P HA 0.284 nan 4.420 nan 0.000 0.258 424 P C 0.990 178.289 177.300 -0.002 0.000 1.187 424 P CA 2.371 65.456 63.100 -0.025 0.000 0.767 424 P CB 0.333 32.037 31.700 0.007 0.000 0.770 425 G N 2.454 111.280 108.800 0.043 0.000 2.189 425 G HA2 -0.285 3.655 3.960 -0.034 0.000 0.267 425 G HA3 -0.285 3.655 3.960 -0.034 0.000 0.267 425 G C -0.111 174.835 174.900 0.076 0.000 0.975 425 G CA -0.046 45.117 45.100 0.104 0.000 0.644 425 G HN 0.565 nan 8.290 nan 0.000 0.537 426 L N 1.789 122.989 121.223 -0.038 0.000 2.264 426 L HA 0.778 5.097 4.340 -0.034 0.000 0.289 426 L C 0.706 177.509 176.870 -0.112 0.000 1.044 426 L CA 0.130 54.887 54.840 -0.138 0.000 0.807 426 L CB 1.047 42.884 42.059 -0.369 0.000 1.192 426 L HN 0.356 nan 8.230 nan 0.000 0.425 427 G N 3.473 112.276 108.800 0.005 0.000 2.471 427 G HA2 0.757 4.696 3.960 -0.034 0.000 0.332 427 G HA3 0.757 4.696 3.960 -0.034 0.000 0.332 427 G C -1.534 173.402 174.900 0.059 0.000 1.176 427 G CA -0.340 44.833 45.100 0.121 0.000 0.949 427 G HN 0.945 nan 8.290 nan 0.000 0.488 428 A N 1.528 124.438 122.820 0.149 0.000 2.522 428 A HA 0.742 5.042 4.320 -0.034 0.000 0.285 428 A C -2.812 174.967 177.584 0.324 0.000 1.198 428 A CA -1.338 50.835 52.037 0.227 0.000 0.742 428 A CB 1.589 20.734 19.000 0.241 0.000 1.176 428 A HN 0.402 nan 8.150 nan 0.000 0.444 429 P HA 0.173 nan 4.420 nan 0.000 0.265 429 P C -0.338 177.289 177.300 0.544 0.000 1.193 429 P CA 0.266 63.559 63.100 0.322 0.000 0.765 429 P CB 0.138 32.076 31.700 0.397 0.000 0.823 430 F N 3.830 123.939 119.950 0.266 0.000 2.545 430 F HA 0.205 4.712 4.527 -0.033 0.000 0.348 430 F C 1.677 177.468 175.800 -0.015 0.000 1.163 430 F CA 0.549 58.603 58.000 0.091 0.000 1.331 430 F CB -0.449 38.583 39.000 0.054 0.000 1.138 430 F HN 0.516 nan 8.300 nan 0.000 0.602 431 H N -0.621 118.308 119.070 -0.236 0.000 2.887 431 H HA 0.479 5.015 4.556 -0.033 0.000 0.290 431 H C -1.842 173.134 175.328 -0.587 0.000 1.429 431 H CA -1.121 54.584 56.048 -0.572 0.000 1.137 431 H CB 1.266 30.271 29.762 -1.261 0.000 1.824 431 H HN 0.578 nan 8.280 nan 0.000 0.520 432 Q N -0.015 119.399 119.800 -0.644 0.000 2.484 432 Q HA 0.395 4.714 4.340 -0.034 0.000 0.285 432 Q C -1.135 174.407 176.000 -0.762 0.000 1.097 432 Q CA -0.968 54.445 55.803 -0.649 0.000 0.802 432 Q CB 2.945 31.422 28.738 -0.435 0.000 1.444 432 Q HN 0.531 nan 8.270 nan 0.000 0.429 433 H N 1.373 120.149 119.070 -0.489 0.000 2.887 433 H HA 0.443 4.978 4.556 -0.035 0.000 0.300 433 H C -0.922 174.017 175.328 -0.647 0.000 1.038 433 H CA -0.194 55.516 56.048 -0.563 0.000 1.352 433 H CB 0.652 30.129 29.762 -0.476 0.000 1.473 433 H HN 0.441 nan 8.280 nan 0.000 0.503 434 I N 4.142 124.328 120.570 -0.640 0.000 2.389 434 I HA 0.246 4.395 4.170 -0.034 0.000 0.288 434 I C -0.550 175.167 176.117 -0.666 0.000 0.999 434 I CA -0.618 60.358 61.300 -0.540 0.000 1.129 434 I CB 1.082 38.856 38.000 -0.377 0.000 1.288 434 I HN 0.187 nan 8.210 nan 0.000 0.444 435 F N 3.154 122.778 119.950 -0.543 0.000 2.483 435 F HA 0.526 5.032 4.527 -0.034 0.000 0.329 435 F C 0.640 176.168 175.800 -0.453 0.000 1.064 435 F CA -0.875 56.770 58.000 -0.591 0.000 0.986 435 F CB 1.696 40.090 39.000 -1.010 0.000 1.218 435 F HN 0.266 nan 8.300 nan 0.000 0.484 436 S N 1.119 116.821 115.700 0.005 0.000 2.707 436 S HA 0.771 5.220 4.470 -0.034 0.000 0.312 436 S C -0.902 173.788 174.600 0.150 0.000 1.116 436 S CA -0.548 57.703 58.200 0.085 0.000 1.078 436 S CB 0.463 63.577 63.200 -0.143 0.000 0.997 436 S HN 0.844 nan 8.310 nan 0.000 0.477 437 A N 4.828 127.800 122.820 0.255 0.000 2.260 437 A HA 0.616 4.915 4.320 -0.034 0.000 0.308 437 A C 0.146 177.754 177.584 0.039 0.000 1.254 437 A CA -0.670 51.477 52.037 0.184 0.000 0.874 437 A CB 0.358 19.453 19.000 0.158 0.000 1.153 437 A HN 0.856 nan 8.150 nan 0.000 0.527 438 R N 3.481 123.941 120.500 -0.067 0.000 2.215 438 R HA 0.530 4.850 4.340 -0.034 0.000 0.336 438 R C -1.535 174.576 176.300 -0.314 0.000 0.996 438 R CA -0.325 55.536 56.100 -0.399 0.000 0.847 438 R CB 0.252 30.215 30.300 -0.562 0.000 1.127 438 R HN 0.712 nan 8.270 nan 0.000 0.465 439 L N 4.455 125.479 121.223 -0.332 0.000 2.324 439 L HA 0.267 4.586 4.340 -0.034 0.000 0.274 439 L C -0.435 176.306 176.870 -0.215 0.000 1.012 439 L CA -0.888 53.834 54.840 -0.197 0.000 0.859 439 L CB 1.507 43.514 42.059 -0.088 0.000 1.224 439 L HN 0.542 nan 8.230 nan 0.000 0.429 440 D N 5.060 125.349 120.400 -0.186 0.000 2.435 440 D HA 0.155 4.775 4.640 -0.034 0.000 0.230 440 D C 0.286 176.563 176.300 -0.039 0.000 1.215 440 D CA -0.277 53.666 54.000 -0.095 0.000 0.947 440 D CB 0.558 41.322 40.800 -0.059 0.000 1.048 440 D HN 0.164 nan 8.370 nan 0.000 0.512 441 M N 2.013 121.604 119.600 -0.016 0.000 2.245 441 M HA 0.327 4.786 4.480 -0.034 0.000 0.330 441 M C 0.505 176.807 176.300 0.004 0.000 1.098 441 M CA -0.285 55.007 55.300 -0.014 0.000 1.172 441 M CB 0.619 33.225 32.600 0.009 0.000 1.467 441 M HN 0.483 nan 8.290 nan 0.000 0.454 442 A N 2.949 125.712 122.820 -0.095 0.000 3.367 442 A HA 0.353 4.652 4.320 -0.034 0.000 0.208 442 A C -0.435 177.045 177.584 -0.173 0.000 1.043 442 A CA -0.566 51.328 52.037 -0.240 0.000 1.079 442 A CB 0.045 18.755 19.000 -0.485 0.000 1.314 442 A HN 0.589 nan 8.150 nan 0.000 0.668 443 I N 1.730 122.263 120.570 -0.062 0.000 2.705 443 I HA 0.050 4.199 4.170 -0.034 0.000 0.291 443 I C 0.388 176.557 176.117 0.086 0.000 1.146 443 I CA 0.917 62.247 61.300 0.051 0.000 1.383 443 I CB -1.106 36.966 38.000 0.120 0.000 1.454 443 I HN 0.486 nan 8.210 nan 0.000 0.581 444 D N 4.861 125.327 120.400 0.109 0.000 2.837 444 D HA -0.152 4.467 4.640 -0.034 0.000 0.230 444 D C 0.612 176.869 176.300 -0.071 0.000 1.152 444 D CA 1.669 55.680 54.000 0.019 0.000 0.736 444 D CB -0.769 40.017 40.800 -0.024 0.000 1.084 444 D HN 1.094 nan 8.370 nan 0.000 0.429 445 G N -2.313 106.385 108.800 -0.169 0.000 2.355 445 G HA2 -0.026 3.913 3.960 -0.034 0.000 0.619 445 G HA3 -0.026 3.913 3.960 -0.034 0.000 0.619 445 G C 0.212 174.939 174.900 -0.288 0.000 1.337 445 G CA -0.408 44.536 45.100 -0.261 0.000 0.993 445 G HN 0.013 nan 8.290 nan 0.000 0.599 446 F N 0.620 120.560 119.950 -0.017 0.000 2.661 446 F HA 0.194 4.701 4.527 -0.035 0.000 0.298 446 F C 2.309 178.107 175.800 -0.003 0.000 1.137 446 F CA 1.224 59.208 58.000 -0.027 0.000 1.454 446 F CB 0.212 39.180 39.000 -0.054 0.000 1.103 446 F HN 0.295 nan 8.300 nan 0.000 0.577 447 T N 2.786 117.425 114.554 0.143 0.000 2.978 447 T HA 0.140 4.469 4.350 -0.034 0.000 0.278 447 T C -0.045 174.705 174.700 0.083 0.000 0.945 447 T CA -0.100 62.062 62.100 0.104 0.000 1.070 447 T CB -0.560 68.351 68.868 0.072 0.000 0.948 447 T HN 0.011 nan 8.240 nan 0.000 0.617 448 N N 2.761 121.519 118.700 0.096 0.000 2.469 448 N HA 0.702 5.421 4.740 -0.034 0.000 0.286 448 N C -0.229 175.334 175.510 0.087 0.000 1.275 448 N CA -1.023 52.079 53.050 0.086 0.000 0.790 448 N CB 2.020 40.559 38.487 0.088 0.000 1.446 448 N HN 0.602 nan 8.380 nan 0.000 0.501 449 R N -1.707 118.845 120.500 0.087 0.000 2.710 449 R HA 0.726 5.045 4.340 -0.034 0.000 0.270 449 R C -1.870 174.490 176.300 0.100 0.000 1.021 449 R CA -0.838 55.315 56.100 0.089 0.000 0.889 449 R CB 0.650 30.997 30.300 0.077 0.000 1.243 449 R HN 0.189 nan 8.270 nan 0.000 0.464 450 V N 1.216 121.196 119.914 0.110 0.000 2.555 450 V HA 0.429 4.529 4.120 -0.034 0.000 0.302 450 V C -0.506 175.675 176.094 0.146 0.000 1.038 450 V CA -0.708 61.675 62.300 0.138 0.000 0.887 450 V CB 1.783 33.694 31.823 0.147 0.000 0.991 450 V HN 0.765 nan 8.190 nan 0.000 0.434 451 E N 2.437 122.730 120.200 0.156 0.000 2.222 451 E HA 0.436 4.766 4.350 -0.034 0.000 0.267 451 E C -0.964 175.719 176.600 0.138 0.000 0.884 451 E CA -0.663 55.811 56.400 0.123 0.000 0.764 451 E CB 2.858 32.600 29.700 0.070 0.000 1.169 451 E HN 0.718 nan 8.360 nan 0.000 0.413 452 E N 2.629 122.890 120.200 0.103 0.000 2.167 452 E HA 0.070 4.400 4.350 -0.034 0.000 0.284 452 E C -0.982 175.526 176.600 -0.152 0.000 1.016 452 E CA -0.255 56.107 56.400 -0.064 0.000 0.817 452 E CB 0.926 30.648 29.700 0.037 0.000 1.080 452 E HN 0.410 nan 8.360 nan 0.000 0.397 453 E N 4.263 124.297 120.200 -0.277 0.000 2.145 453 E HA 0.188 4.517 4.350 -0.034 0.000 0.270 453 E C -1.290 175.176 176.600 -0.222 0.000 0.906 453 E CA -0.803 55.483 56.400 -0.191 0.000 0.761 453 E CB 0.968 30.579 29.700 -0.150 0.000 1.116 453 E HN 0.405 nan 8.360 nan 0.000 0.408 454 D N 2.540 122.858 120.400 -0.137 0.000 2.342 454 D HA 0.265 4.884 4.640 -0.034 0.000 0.243 454 D C -0.515 175.750 176.300 -0.057 0.000 1.019 454 D CA -0.547 53.384 54.000 -0.114 0.000 0.864 454 D CB 2.172 42.920 40.800 -0.087 0.000 1.315 454 D HN 0.159 nan 8.370 nan 0.000 0.468 455 V N 1.366 121.251 119.914 -0.048 0.000 2.811 455 V HA 0.225 4.325 4.120 -0.034 0.000 0.302 455 V C 0.169 176.269 176.094 0.010 0.000 1.063 455 V CA -0.213 62.084 62.300 -0.004 0.000 1.088 455 V CB 1.437 33.235 31.823 -0.041 0.000 0.982 455 V HN 0.266 nan 8.190 nan 0.000 0.485 456 V N 5.872 125.823 119.914 0.062 0.000 2.443 456 V HA 0.440 4.540 4.120 -0.034 0.000 0.293 456 V C 0.189 176.337 176.094 0.090 0.000 1.021 456 V CA -0.808 61.525 62.300 0.054 0.000 0.848 456 V CB 1.607 33.457 31.823 0.045 0.000 0.998 456 V HN 0.815 nan 8.190 nan 0.000 0.424 457 R N 3.293 123.825 120.500 0.054 0.000 2.531 457 R HA 0.571 4.890 4.340 -0.034 0.000 0.273 457 R C -0.538 175.800 176.300 0.064 0.000 1.070 457 R CA -0.466 55.674 56.100 0.066 0.000 1.112 457 R CB 1.053 31.367 30.300 0.023 0.000 1.049 457 R HN 0.663 nan 8.270 nan 0.000 0.508 458 Q N 0.247 120.092 119.800 0.076 0.000 2.377 458 Q HA 0.292 4.612 4.340 -0.034 0.000 0.271 458 Q C -0.911 175.113 176.000 0.040 0.000 1.077 458 Q CA -0.660 55.174 55.803 0.051 0.000 0.820 458 Q CB 2.756 31.525 28.738 0.051 0.000 1.347 458 Q HN 0.474 nan 8.270 nan 0.000 0.444 459 T N 2.058 116.627 114.554 0.026 0.000 2.889 459 T HA 0.267 4.596 4.350 -0.034 0.000 0.291 459 T C 0.098 174.809 174.700 0.018 0.000 0.995 459 T CA -0.435 61.676 62.100 0.020 0.000 1.092 459 T CB 0.558 69.434 68.868 0.014 0.000 0.954 459 T HN 0.483 nan 8.240 nan 0.000 0.506 460 M N 2.799 122.409 119.600 0.017 0.000 2.249 460 M HA 0.422 4.881 4.480 -0.034 0.000 0.340 460 M C 0.513 176.819 176.300 0.010 0.000 1.166 460 M CA 1.024 56.332 55.300 0.014 0.000 1.115 460 M CB -0.421 32.187 32.600 0.013 0.000 1.606 460 M HN 0.930 nan 8.290 nan 0.000 0.448 461 G N 4.209 113.014 108.800 0.007 0.000 2.351 461 G HA2 0.184 4.123 3.960 -0.034 0.000 0.279 461 G HA3 0.184 4.123 3.960 -0.034 0.000 0.279 461 G C -3.385 171.517 174.900 0.003 0.000 1.297 461 G CA -1.179 43.924 45.100 0.005 0.000 0.886 461 G HN 0.427 nan 8.290 nan 0.000 0.493 462 P HA 0.313 nan 4.420 nan 0.000 0.261 462 P C 1.003 178.302 177.300 -0.002 0.000 1.183 462 P CA 2.408 65.508 63.100 -0.000 0.000 0.761 462 P CB 0.664 32.364 31.700 -0.000 0.000 0.785 463 G N 2.896 111.694 108.800 -0.004 0.000 2.199 463 G HA2 -0.272 3.667 3.960 -0.034 0.000 0.254 463 G HA3 -0.272 3.667 3.960 -0.034 0.000 0.254 463 G C 0.497 175.393 174.900 -0.007 0.000 0.982 463 G CA 0.320 45.416 45.100 -0.007 0.000 0.632 463 G HN 0.659 nan 8.290 nan 0.000 0.529 464 N N -0.060 118.638 118.700 -0.003 0.000 2.605 464 N HA 0.339 5.058 4.740 -0.034 0.000 0.265 464 N C 0.938 176.450 175.510 0.004 0.000 1.625 464 N CA 0.447 53.497 53.050 -0.001 0.000 0.862 464 N CB 0.415 38.904 38.487 0.003 0.000 1.415 464 N HN 0.104 nan 8.380 nan 0.000 0.513 465 E N 0.122 120.323 120.200 0.002 0.000 2.160 465 E HA -0.044 4.286 4.350 -0.034 0.000 0.195 465 E C 1.171 177.774 176.600 0.006 0.000 0.991 465 E CA 1.229 57.631 56.400 0.003 0.000 0.810 465 E CB 0.090 29.791 29.700 0.001 0.000 0.742 465 E HN 0.405 nan 8.360 nan 0.000 0.466 466 R N -0.827 119.677 120.500 0.007 0.000 2.310 466 R HA 0.146 4.465 4.340 -0.034 0.000 0.202 466 R C 0.813 177.123 176.300 0.016 0.000 0.933 466 R CA 0.502 56.608 56.100 0.010 0.000 1.054 466 R CB 0.281 30.587 30.300 0.009 0.000 0.985 466 R HN 0.240 nan 8.270 nan 0.000 0.489 467 G N 2.393 111.203 108.800 0.018 0.000 2.249 467 G HA2 -0.306 3.634 3.960 -0.034 0.000 0.273 467 G HA3 -0.306 3.634 3.960 -0.034 0.000 0.273 467 G C 0.464 175.390 174.900 0.042 0.000 1.036 467 G CA 0.765 45.881 45.100 0.027 0.000 0.824 467 G HN 0.578 nan 8.290 nan 0.000 0.504 468 N N -0.479 118.248 118.700 0.044 0.000 2.322 468 N HA 0.373 5.092 4.740 -0.034 0.000 0.181 468 N C 1.080 176.650 175.510 0.100 0.000 1.088 468 N CA 0.716 53.808 53.050 0.070 0.000 0.885 468 N CB 0.093 38.608 38.487 0.047 0.000 1.013 468 N HN 0.936 nan 8.380 nan 0.000 0.472 469 A N 0.903 123.754 122.820 0.052 0.000 2.407 469 A HA 0.485 4.784 4.320 -0.034 0.000 0.248 469 A C -0.504 177.157 177.584 0.128 0.000 1.082 469 A CA -0.295 51.748 52.037 0.010 0.000 0.785 469 A CB -0.254 18.730 19.000 -0.026 0.000 1.020 469 A HN 0.458 nan 8.150 nan 0.000 0.489 470 F N -0.117 119.827 119.950 -0.009 0.000 2.654 470 F HA 0.788 5.295 4.527 -0.034 0.000 0.308 470 F C -0.329 175.464 175.800 -0.012 0.000 1.108 470 F CA -0.470 57.523 58.000 -0.011 0.000 0.957 470 F CB 0.909 39.902 39.000 -0.011 0.000 1.309 470 F HN 0.596 nan 8.300 nan 0.000 0.446 471 S N 1.004 116.827 115.700 0.205 0.000 3.081 471 S HA 0.860 5.309 4.470 -0.034 0.000 0.316 471 S C -1.399 173.289 174.600 0.147 0.000 1.089 471 S CA -0.753 57.495 58.200 0.081 0.000 0.897 471 S CB 1.451 64.662 63.200 0.017 0.000 1.358 471 S HN 1.121 nan 8.310 nan 0.000 0.678 472 R N 0.520 121.059 120.500 0.065 0.000 2.710 472 R HA 0.622 4.942 4.340 -0.034 0.000 0.270 472 R C -2.027 174.281 176.300 0.014 0.000 1.021 472 R CA -0.920 55.207 56.100 0.045 0.000 0.889 472 R CB 1.302 31.626 30.300 0.040 0.000 1.243 472 R HN 0.702 nan 8.270 nan 0.000 0.464 473 K N 1.565 121.963 120.400 -0.004 0.000 2.502 473 K HA 0.572 4.871 4.320 -0.034 0.000 0.257 473 K C -1.220 175.368 176.600 -0.020 0.000 0.938 473 K CA -1.130 55.152 56.287 -0.008 0.000 0.819 473 K CB 2.781 35.278 32.500 -0.006 0.000 1.333 473 K HN 0.633 nan 8.250 nan 0.000 0.434 474 R N 1.148 121.642 120.500 -0.011 0.000 2.561 474 R HA 0.403 4.723 4.340 -0.034 0.000 0.297 474 R C -1.146 175.158 176.300 0.007 0.000 0.969 474 R CA -0.954 55.141 56.100 -0.009 0.000 0.879 474 R CB 2.565 32.865 30.300 -0.001 0.000 1.178 474 R HN 0.677 nan 8.270 nan 0.000 0.445 475 T N 2.137 116.701 114.554 0.016 0.000 2.815 475 T HA 0.226 4.555 4.350 -0.034 0.000 0.289 475 T C -0.060 174.673 174.700 0.055 0.000 1.000 475 T CA -0.612 61.508 62.100 0.032 0.000 0.958 475 T CB 1.641 70.528 68.868 0.032 0.000 0.944 475 T HN 0.150 nan 8.240 nan 0.000 0.442 476 V N 4.985 124.931 119.914 0.053 0.000 2.572 476 V HA 0.218 4.317 4.120 -0.034 0.000 0.291 476 V C 0.395 176.532 176.094 0.071 0.000 1.039 476 V CA -0.527 61.812 62.300 0.066 0.000 1.055 476 V CB 0.422 32.278 31.823 0.055 0.000 0.969 476 V HN 0.717 nan 8.190 nan 0.000 0.482 477 L N 5.460 126.736 121.223 0.088 0.000 2.283 477 L HA 0.268 4.587 4.340 -0.034 0.000 0.287 477 L C 1.436 178.350 176.870 0.073 0.000 1.073 477 L CA -0.120 54.770 54.840 0.084 0.000 0.822 477 L CB 0.889 43.009 42.059 0.101 0.000 1.186 477 L HN 0.917 nan 8.230 nan 0.000 0.436 478 T N -0.718 113.873 114.554 0.060 0.000 3.040 478 T HA 0.184 4.514 4.350 -0.034 0.000 0.252 478 T C 0.953 175.687 174.700 0.056 0.000 1.064 478 T CA -0.008 62.126 62.100 0.056 0.000 1.110 478 T CB 0.370 69.266 68.868 0.045 0.000 0.921 478 T HN 0.313 nan 8.240 nan 0.000 0.480 479 R N 0.785 121.318 120.500 0.055 0.000 2.744 479 R HA 0.441 4.761 4.340 -0.034 0.000 0.279 479 R C 0.602 176.939 176.300 0.062 0.000 0.977 479 R CA -0.528 55.605 56.100 0.055 0.000 0.906 479 R CB 1.631 31.957 30.300 0.043 0.000 1.197 479 R HN 0.250 nan 8.270 nan 0.000 0.463 480 E N 0.448 120.691 120.200 0.072 0.000 2.160 480 E HA -0.190 4.139 4.350 -0.034 0.000 0.195 480 E C 1.366 178.006 176.600 0.066 0.000 0.991 480 E CA 1.972 58.425 56.400 0.088 0.000 0.810 480 E CB 0.137 29.900 29.700 0.104 0.000 0.742 480 E HN 0.630 nan 8.360 nan 0.000 0.466 481 S N 1.170 116.900 115.700 0.049 0.000 2.465 481 S HA -0.188 4.262 4.470 -0.034 0.000 0.241 481 S C 1.536 176.143 174.600 0.011 0.000 1.000 481 S CA 1.393 59.611 58.200 0.030 0.000 0.964 481 S CB -0.341 62.875 63.200 0.027 0.000 0.763 481 S HN 0.475 nan 8.310 nan 0.000 0.512 482 E N 0.069 120.280 120.200 0.018 0.000 2.624 482 E HA 0.549 4.878 4.350 -0.034 0.000 0.210 482 E C 0.754 177.360 176.600 0.009 0.000 0.997 482 E CA 0.162 56.568 56.400 0.009 0.000 0.999 482 E CB 0.439 30.154 29.700 0.024 0.000 1.040 482 E HN 0.473 nan 8.360 nan 0.000 0.469 483 A N 1.055 123.880 122.820 0.007 0.000 2.610 483 A HA 0.325 4.625 4.320 -0.034 0.000 0.286 483 A C 0.148 177.679 177.584 -0.088 0.000 1.306 483 A CA -0.265 51.777 52.037 0.009 0.000 0.942 483 A CB 0.243 19.288 19.000 0.075 0.000 1.112 483 A HN 0.114 nan 8.150 nan 0.000 0.527 484 V N 2.925 122.715 119.914 -0.207 0.000 2.277 484 V HA 0.346 4.445 4.120 -0.034 0.000 0.269 484 V C -0.408 175.460 176.094 -0.377 0.000 1.036 484 V CA -0.680 61.304 62.300 -0.527 0.000 0.821 484 V CB 0.315 31.730 31.823 -0.680 0.000 1.052 484 V HN 0.483 nan 8.190 nan 0.000 0.462 485 R N 2.910 123.213 120.500 -0.327 0.000 2.720 485 R HA 0.699 5.018 4.340 -0.034 0.000 0.272 485 R C -0.357 175.912 176.300 -0.052 0.000 0.991 485 R CA -0.678 55.365 56.100 -0.094 0.000 1.010 485 R CB 1.808 32.184 30.300 0.126 0.000 1.141 485 R HN 0.598 nan 8.270 nan 0.000 0.494 486 E N 0.428 120.696 120.200 0.113 0.000 2.212 486 E HA 0.549 4.878 4.350 -0.034 0.000 0.270 486 E C -0.538 176.274 176.600 0.353 0.000 0.956 486 E CA -0.899 55.593 56.400 0.152 0.000 0.825 486 E CB 2.058 31.806 29.700 0.080 0.000 1.167 486 E HN 0.633 nan 8.360 nan 0.000 0.400 487 A N 1.543 124.572 122.820 0.348 0.000 2.313 487 A HA 0.245 4.544 4.320 -0.034 0.000 0.261 487 A C -0.182 177.504 177.584 0.170 0.000 1.090 487 A CA -0.039 52.228 52.037 0.383 0.000 0.807 487 A CB 0.431 19.646 19.000 0.358 0.000 1.055 487 A HN 0.621 nan 8.150 nan 0.000 0.492 488 D N -0.294 120.153 120.400 0.078 0.000 2.584 488 D HA 0.384 5.004 4.640 -0.034 0.000 0.238 488 D C 0.718 177.017 176.300 -0.003 0.000 1.302 488 D CA 0.301 54.316 54.000 0.024 0.000 0.884 488 D CB 0.721 41.514 40.800 -0.012 0.000 1.456 488 D HN 0.491 nan 8.370 nan 0.000 0.528 489 A N 2.767 125.605 122.820 0.030 0.000 1.940 489 A HA -0.196 4.104 4.320 -0.034 0.000 0.219 489 A C 2.068 179.648 177.584 -0.006 0.000 1.176 489 A CA 1.607 53.658 52.037 0.023 0.000 0.631 489 A CB -0.238 18.789 19.000 0.046 0.000 0.814 489 A HN 0.507 nan 8.150 nan 0.000 0.446 490 R N -0.238 120.257 120.500 -0.008 0.000 2.105 490 R HA -0.128 4.191 4.340 -0.034 0.000 0.239 490 R C 1.672 177.947 176.300 -0.041 0.000 1.135 490 R CA 1.981 58.068 56.100 -0.022 0.000 0.967 490 R CB -0.366 29.925 30.300 -0.015 0.000 0.861 490 R HN 0.616 nan 8.270 nan 0.000 0.442 491 T N -3.408 111.118 114.554 -0.047 0.000 3.186 491 T HA 0.242 4.571 4.350 -0.034 0.000 0.257 491 T C 0.864 175.515 174.700 -0.082 0.000 1.029 491 T CA 0.136 62.199 62.100 -0.063 0.000 0.916 491 T CB 0.698 69.530 68.868 -0.060 0.000 1.041 491 T HN 0.360 nan 8.240 nan 0.000 0.562 492 G N 2.458 111.214 108.800 -0.073 0.000 2.356 492 G HA2 -0.343 3.596 3.960 -0.034 0.000 0.296 492 G HA3 -0.343 3.596 3.960 -0.034 0.000 0.296 492 G C 0.017 174.833 174.900 -0.140 0.000 1.022 492 G CA 0.234 45.289 45.100 -0.074 0.000 0.961 492 G HN 0.910 nan 8.290 nan 0.000 0.510 493 R N 0.457 120.835 120.500 -0.204 0.000 2.489 493 R HA 0.458 4.777 4.340 -0.034 0.000 0.287 493 R C 0.842 176.770 176.300 -0.620 0.000 1.053 493 R CA 0.867 56.721 56.100 -0.411 0.000 1.036 493 R CB 0.292 30.329 30.300 -0.438 0.000 0.966 493 R HN 0.477 nan 8.270 nan 0.000 0.432 494 T N 0.591 114.693 114.554 -0.754 0.000 2.838 494 T HA 0.526 4.855 4.350 -0.034 0.000 0.292 494 T C -1.039 173.170 174.700 -0.819 0.000 1.113 494 T CA -0.958 60.719 62.100 -0.705 0.000 1.008 494 T CB 1.231 69.826 68.868 -0.456 0.000 1.259 494 T HN 0.563 nan 8.240 nan 0.000 0.520 495 W N 0.626 121.863 121.300 -0.105 0.000 2.739 495 W HA 0.600 5.239 4.660 -0.034 0.000 0.331 495 W C -1.101 175.393 176.519 -0.042 0.000 1.049 495 W CA -1.163 56.150 57.345 -0.054 0.000 1.234 495 W CB 1.722 31.160 29.460 -0.037 0.000 1.404 495 W HN 0.587 nan 8.180 nan 0.000 0.477 496 I N 4.300 124.967 120.570 0.163 0.000 2.354 496 I HA 0.281 4.430 4.170 -0.034 0.000 0.292 496 I C -0.376 175.829 176.117 0.147 0.000 0.989 496 I CA -0.984 60.389 61.300 0.122 0.000 1.188 496 I CB 1.308 39.347 38.000 0.066 0.000 1.342 496 I HN 0.070 nan 8.210 nan 0.000 0.457 497 I N 6.148 126.810 120.570 0.154 0.000 2.312 497 I HA 0.293 4.442 4.170 -0.034 0.000 0.290 497 I C 0.371 176.573 176.117 0.141 0.000 1.008 497 I CA 0.327 61.710 61.300 0.137 0.000 1.226 497 I CB 1.269 39.341 38.000 0.119 0.000 1.371 497 I HN 0.601 nan 8.210 nan 0.000 0.468 498 S N 4.139 119.910 115.700 0.117 0.000 2.709 498 S HA 0.613 5.062 4.470 -0.034 0.000 0.302 498 S C -0.752 173.903 174.600 0.092 0.000 1.127 498 S CA -0.916 57.352 58.200 0.114 0.000 0.905 498 S CB 1.990 65.244 63.200 0.090 0.000 1.151 498 S HN 0.501 nan 8.310 nan 0.000 0.510 499 N N 1.714 120.461 118.700 0.079 0.000 2.518 499 N HA 0.382 5.101 4.740 -0.034 0.000 0.254 499 N C -2.101 173.430 175.510 0.035 0.000 0.979 499 N CA -2.267 50.816 53.050 0.054 0.000 0.930 499 N CB 1.719 40.231 38.487 0.042 0.000 1.152 499 N HN 0.394 nan 8.380 nan 0.000 0.505 500 P HA -0.033 nan 4.420 nan 0.000 0.231 500 P C 0.107 177.416 177.300 0.015 0.000 1.158 500 P CA 1.037 64.153 63.100 0.027 0.000 0.763 500 P CB 0.561 32.281 31.700 0.033 0.000 0.805 501 E N -1.020 119.188 120.200 0.012 0.000 2.498 501 E HA 0.133 4.463 4.350 -0.034 0.000 0.203 501 E C 0.144 176.736 176.600 -0.013 0.000 1.013 501 E CA -0.091 56.311 56.400 0.003 0.000 0.927 501 E CB 0.465 30.171 29.700 0.010 0.000 1.012 501 E HN -0.008 nan 8.360 nan 0.000 0.482 502 S N 0.983 116.669 115.700 -0.023 0.000 2.659 502 S HA 0.373 4.822 4.470 -0.034 0.000 0.312 502 S C -1.011 173.550 174.600 -0.065 0.000 1.114 502 S CA -0.713 57.454 58.200 -0.054 0.000 1.063 502 S CB 0.508 63.663 63.200 -0.075 0.000 0.996 502 S HN -0.043 nan 8.310 nan 0.000 0.478 503 K N 2.798 123.157 120.400 -0.069 0.000 2.267 503 K HA 0.446 4.746 4.320 -0.034 0.000 0.246 503 K C -0.287 176.260 176.600 -0.088 0.000 0.954 503 K CA -1.063 55.185 56.287 -0.065 0.000 0.824 503 K CB 1.102 33.579 32.500 -0.039 0.000 1.167 503 K HN 0.755 nan 8.250 nan 0.000 0.431 504 N N 0.308 118.958 118.700 -0.083 0.000 2.364 504 N HA 0.035 4.755 4.740 -0.034 0.000 0.264 504 N C 0.703 176.183 175.510 -0.050 0.000 1.263 504 N CA -0.551 52.449 53.050 -0.083 0.000 0.959 504 N CB 0.348 38.794 38.487 -0.069 0.000 1.204 504 N HN 0.581 nan 8.380 nan 0.000 0.550 505 R N -0.525 119.953 120.500 -0.038 0.000 2.303 505 R HA -0.027 4.293 4.340 -0.034 0.000 0.225 505 R C 0.464 176.752 176.300 -0.019 0.000 1.114 505 R CA 1.137 57.222 56.100 -0.025 0.000 1.007 505 R CB -0.726 29.564 30.300 -0.016 0.000 0.861 505 R HN 0.578 nan 8.270 nan 0.000 0.471 506 L N 1.258 122.470 121.223 -0.019 0.000 2.653 506 L HA 0.140 4.459 4.340 -0.034 0.000 0.232 506 L C 0.157 177.018 176.870 -0.015 0.000 1.169 506 L CA -0.054 54.777 54.840 -0.014 0.000 0.951 506 L CB -0.689 41.364 42.059 -0.011 0.000 1.181 506 L HN 0.439 nan 8.230 nan 0.000 0.460 507 N N 1.475 120.163 118.700 -0.020 0.000 2.740 507 N HA -0.200 4.519 4.740 -0.034 0.000 0.248 507 N C -0.054 175.447 175.510 -0.016 0.000 1.062 507 N CA 0.220 53.259 53.050 -0.018 0.000 0.704 507 N CB -0.170 38.309 38.487 -0.014 0.000 0.968 507 N HN 0.347 nan 8.380 nan 0.000 0.547 508 E N 0.322 120.510 120.200 -0.019 0.000 2.222 508 E HA 0.484 4.813 4.350 -0.034 0.000 0.267 508 E C -2.654 173.936 176.600 -0.017 0.000 0.884 508 E CA -2.072 54.321 56.400 -0.013 0.000 0.764 508 E CB 1.365 31.059 29.700 -0.009 0.000 1.169 508 E HN 0.018 nan 8.360 nan 0.000 0.413 509 P HA -0.050 nan 4.420 nan 0.000 0.263 509 P C -0.592 176.712 177.300 0.007 0.000 1.195 509 P CA -0.090 63.010 63.100 0.001 0.000 0.762 509 P CB 0.306 32.017 31.700 0.018 0.000 0.799 510 V N 2.082 121.990 119.914 -0.010 0.000 2.963 510 V HA 0.748 4.847 4.120 -0.034 0.000 0.306 510 V C 0.600 176.780 176.094 0.144 0.000 1.077 510 V CA 0.280 62.587 62.300 0.012 0.000 1.124 510 V CB 0.355 32.093 31.823 -0.141 0.000 0.987 510 V HN 0.742 nan 8.190 nan 0.000 0.487 511 G N 1.899 110.839 108.800 0.234 0.000 2.550 511 G HA2 0.577 4.516 3.960 -0.034 0.000 0.293 511 G HA3 0.577 4.516 3.960 -0.034 0.000 0.293 511 G C -2.336 172.698 174.900 0.225 0.000 1.402 511 G CA -0.743 44.504 45.100 0.245 0.000 0.784 511 G HN 0.753 nan 8.290 nan 0.000 0.482 512 Y N -0.027 120.301 120.300 0.045 0.000 2.442 512 Y HA 0.617 5.146 4.550 -0.034 0.000 0.344 512 Y C 0.139 176.071 175.900 0.054 0.000 0.976 512 Y CA -0.800 57.313 58.100 0.021 0.000 1.040 512 Y CB 2.740 41.180 38.460 -0.034 0.000 1.228 512 Y HN 0.506 nan 8.280 nan 0.000 0.451 513 K N 4.065 124.535 120.400 0.117 0.000 2.213 513 K HA 0.496 4.795 4.320 -0.034 0.000 0.270 513 K C -1.561 175.094 176.600 0.092 0.000 1.002 513 K CA -0.840 55.480 56.287 0.055 0.000 0.868 513 K CB 0.865 33.334 32.500 -0.052 0.000 1.093 513 K HN 0.608 nan 8.250 nan 0.000 0.454 514 L N 5.220 126.490 121.223 0.079 0.000 2.281 514 L HA 0.278 4.597 4.340 -0.034 0.000 0.285 514 L C -1.359 175.525 176.870 0.023 0.000 1.074 514 L CA 0.103 55.023 54.840 0.134 0.000 0.817 514 L CB 0.349 42.487 42.059 0.131 0.000 1.168 514 L HN 0.646 nan 8.230 nan 0.000 0.434 515 H N 4.425 123.606 119.070 0.184 0.000 2.541 515 H HA 0.723 5.259 4.556 -0.035 0.000 0.316 515 H C -0.054 175.411 175.328 0.229 0.000 1.043 515 H CA 0.035 56.188 56.048 0.176 0.000 1.232 515 H CB 1.330 31.182 29.762 0.150 0.000 1.406 515 H HN 0.887 nan 8.280 nan 0.000 0.469 516 A N 2.215 125.237 122.820 0.337 0.000 2.269 516 A HA 0.227 4.526 4.320 -0.034 0.000 0.319 516 A C 0.326 178.202 177.584 0.486 0.000 1.110 516 A CA -0.584 51.690 52.037 0.395 0.000 0.847 516 A CB 0.521 19.796 19.000 0.459 0.000 1.161 516 A HN 1.029 nan 8.150 nan 0.000 0.497 517 H N 0.710 119.967 119.070 0.310 0.000 2.551 517 H HA 0.008 4.544 4.556 -0.035 0.000 0.266 517 H C -0.145 175.304 175.328 0.201 0.000 0.977 517 H CA 0.190 56.370 56.048 0.220 0.000 1.163 517 H CB 0.163 30.045 29.762 0.201 0.000 1.381 517 H HN 0.740 nan 8.280 nan 0.000 0.581 518 N N 2.111 121.031 118.700 0.368 0.000 2.740 518 N HA -0.161 4.558 4.740 -0.034 0.000 0.248 518 N C -0.596 175.043 175.510 0.214 0.000 1.062 518 N CA 0.562 53.775 53.050 0.271 0.000 0.704 518 N CB -0.812 37.796 38.487 0.201 0.000 0.968 518 N HN 0.505 nan 8.380 nan 0.000 0.547 519 Q N -0.175 119.765 119.800 0.233 0.000 2.317 519 Q HA 0.406 4.725 4.340 -0.034 0.000 0.229 519 Q C -1.797 174.273 176.000 0.118 0.000 0.984 519 Q CA -1.158 54.745 55.803 0.168 0.000 0.911 519 Q CB 0.122 28.969 28.738 0.181 0.000 1.217 519 Q HN 0.134 nan 8.270 nan 0.000 0.501 520 P HA 0.013 nan 4.420 nan 0.000 0.269 520 P C -0.211 177.095 177.300 0.009 0.000 1.209 520 P CA 0.226 63.350 63.100 0.039 0.000 0.776 520 P CB 0.493 32.205 31.700 0.020 0.000 0.876 521 T N 0.198 114.752 114.554 -0.000 0.000 2.924 521 T HA 0.318 4.648 4.350 -0.034 0.000 0.301 521 T C 0.268 174.916 174.700 -0.087 0.000 1.120 521 T CA -0.875 61.201 62.100 -0.040 0.000 0.940 521 T CB -0.014 68.846 68.868 -0.014 0.000 1.591 521 T HN 0.174 nan 8.240 nan 0.000 0.578 522 L N 1.124 122.271 121.223 -0.127 0.000 2.628 522 L HA 0.159 4.478 4.340 -0.034 0.000 0.274 522 L C 0.767 177.586 176.870 -0.085 0.000 1.209 522 L CA 0.228 54.982 54.840 -0.144 0.000 0.930 522 L CB -0.519 41.434 42.059 -0.177 0.000 1.183 522 L HN 0.631 nan 8.230 nan 0.000 0.492 523 L N 5.045 126.220 121.223 -0.079 0.000 2.375 523 L HA 0.233 4.552 4.340 -0.034 0.000 0.215 523 L C 1.429 178.288 176.870 -0.018 0.000 1.108 523 L CA 0.223 55.041 54.840 -0.036 0.000 0.830 523 L CB -0.540 41.504 42.059 -0.025 0.000 0.959 523 L HN 0.829 nan 8.230 nan 0.000 0.457 524 A N 0.641 123.442 122.820 -0.032 0.000 2.547 524 A HA -0.091 4.208 4.320 -0.034 0.000 0.233 524 A C 0.288 177.871 177.584 -0.001 0.000 1.067 524 A CA -0.103 51.927 52.037 -0.011 0.000 0.763 524 A CB -0.042 18.947 19.000 -0.019 0.000 1.007 524 A HN 0.260 nan 8.150 nan 0.000 0.506 525 D N 1.420 121.827 120.400 0.011 0.000 2.472 525 D HA 0.047 4.666 4.640 -0.034 0.000 0.237 525 D C -1.508 174.799 176.300 0.012 0.000 1.141 525 D CA -1.018 52.991 54.000 0.015 0.000 0.875 525 D CB 0.826 41.639 40.800 0.021 0.000 1.192 525 D HN 0.150 nan 8.370 nan 0.000 0.450 526 P HA -0.026 nan 4.420 nan 0.000 0.221 526 P C 0.945 178.256 177.300 0.019 0.000 1.145 526 P CA 0.981 64.089 63.100 0.013 0.000 0.795 526 P CB 0.186 31.894 31.700 0.013 0.000 0.775 527 G N -1.037 107.775 108.800 0.021 0.000 3.042 527 G HA2 0.018 3.957 3.960 -0.034 0.000 0.212 527 G HA3 0.018 3.957 3.960 -0.034 0.000 0.212 527 G C 0.411 175.329 174.900 0.029 0.000 1.166 527 G CA 0.038 45.153 45.100 0.025 0.000 0.767 527 G HN 0.354 nan 8.290 nan 0.000 0.546 528 S N -0.454 115.263 115.700 0.029 0.000 2.593 528 S HA 0.297 4.746 4.470 -0.034 0.000 0.269 528 S C 1.549 176.177 174.600 0.047 0.000 1.334 528 S CA 0.410 58.631 58.200 0.034 0.000 1.015 528 S CB 1.715 64.933 63.200 0.030 0.000 0.912 528 S HN 0.066 nan 8.310 nan 0.000 0.541 529 S N 0.667 116.402 115.700 0.059 0.000 2.368 529 S HA -0.139 4.310 4.470 -0.034 0.000 0.225 529 S C 1.671 176.332 174.600 0.101 0.000 1.030 529 S CA 1.142 59.394 58.200 0.086 0.000 0.999 529 S CB -0.796 62.462 63.200 0.096 0.000 0.844 529 S HN 0.704 nan 8.310 nan 0.000 0.459 530 I N 2.048 122.675 120.570 0.094 0.000 2.286 530 I HA -0.004 4.145 4.170 -0.034 0.000 0.248 530 I C 2.289 178.446 176.117 0.065 0.000 1.115 530 I CA 1.329 62.693 61.300 0.107 0.000 1.392 530 I CB -0.863 37.173 38.000 0.060 0.000 1.065 530 I HN 0.327 nan 8.210 nan 0.000 0.418 531 A N 0.146 122.986 122.820 0.032 0.000 2.015 531 A HA -0.161 4.139 4.320 -0.034 0.000 0.219 531 A C 2.389 179.989 177.584 0.026 0.000 1.163 531 A CA 1.487 53.527 52.037 0.006 0.000 0.646 531 A CB -0.509 18.494 19.000 0.006 0.000 0.806 531 A HN 0.467 nan 8.150 nan 0.000 0.448 532 R N -0.822 119.708 120.500 0.050 0.000 2.066 532 R HA 0.074 4.394 4.340 -0.034 0.000 0.224 532 R C 2.331 178.665 176.300 0.057 0.000 1.122 532 R CA 1.142 57.272 56.100 0.049 0.000 0.974 532 R CB -0.239 30.095 30.300 0.055 0.000 0.871 532 R HN 0.405 nan 8.270 nan 0.000 0.435 533 R N 0.311 120.869 120.500 0.096 0.000 2.148 533 R HA 0.056 4.376 4.340 -0.034 0.000 0.227 533 R C 0.831 177.261 176.300 0.217 0.000 1.103 533 R CA 1.189 57.354 56.100 0.108 0.000 0.983 533 R CB 0.168 30.548 30.300 0.134 0.000 0.874 533 R HN 0.104 nan 8.270 nan 0.000 0.451 534 A N 0.110 123.069 122.820 0.232 0.000 2.985 534 A HA 0.495 4.795 4.320 -0.034 0.000 0.303 534 A C 1.166 178.663 177.584 -0.145 0.000 1.048 534 A CA -0.060 52.084 52.037 0.178 0.000 1.016 534 A CB 0.311 19.332 19.000 0.036 0.000 1.118 534 A HN 0.235 nan 8.150 nan 0.000 0.529 535 A N 0.310 123.123 122.820 -0.011 0.000 1.978 535 A HA -0.069 4.230 4.320 -0.034 0.000 0.220 535 A C 1.787 179.372 177.584 0.002 0.000 1.170 535 A CA 1.835 53.872 52.037 -0.001 0.000 0.636 535 A CB -0.961 18.066 19.000 0.045 0.000 0.810 535 A HN 1.370 nan 8.150 nan 0.000 0.448 536 F N -0.220 119.609 119.950 -0.201 0.000 2.202 536 F HA 0.018 4.524 4.527 -0.035 0.000 0.301 536 F C 1.991 177.837 175.800 0.075 0.000 1.082 536 F CA 0.799 58.585 58.000 -0.356 0.000 1.313 536 F CB -0.918 37.751 39.000 -0.551 0.000 1.024 536 F HN 0.145 nan 8.300 nan 0.000 0.495 537 A N 0.418 122.535 122.820 -1.172 0.000 2.235 537 A HA 0.017 4.316 4.320 -0.034 0.000 0.208 537 A C 2.059 179.482 177.584 -0.269 0.000 1.172 537 A CA 1.218 52.769 52.037 -0.811 0.000 0.786 537 A CB -1.469 16.902 19.000 -1.047 0.000 0.804 537 A HN 0.581 nan 8.150 nan 0.000 0.479 538 T N -3.614 110.889 114.554 -0.086 0.000 3.065 538 T HA 0.205 4.534 4.350 -0.034 0.000 0.252 538 T C 0.573 175.296 174.700 0.038 0.000 1.099 538 T CA 0.159 62.254 62.100 -0.008 0.000 1.063 538 T CB 0.139 69.021 68.868 0.023 0.000 0.948 538 T HN 0.107 nan 8.240 nan 0.000 0.506 539 K N 1.234 121.714 120.400 0.134 0.000 2.422 539 K HA 0.392 4.691 4.320 -0.034 0.000 0.251 539 K C -0.536 176.134 176.600 0.116 0.000 0.933 539 K CA -0.471 55.819 56.287 0.004 0.000 0.798 539 K CB 2.168 34.430 32.500 -0.396 0.000 1.238 539 K HN -0.047 nan 8.250 nan 0.000 0.428 540 D N 0.518 120.946 120.400 0.047 0.000 2.149 540 D HA -0.043 4.577 4.640 -0.034 0.000 0.201 540 D C 0.108 176.470 176.300 0.105 0.000 0.972 540 D CA 0.910 54.979 54.000 0.116 0.000 0.835 540 D CB 0.306 41.222 40.800 0.194 0.000 0.966 540 D HN 0.174 nan 8.370 nan 0.000 0.476 541 L N -0.286 120.846 121.223 -0.152 0.000 2.464 541 L HA 0.450 4.769 4.340 -0.034 0.000 0.266 541 L C -1.958 174.805 176.870 -0.178 0.000 0.965 541 L CA -0.714 54.003 54.840 -0.205 0.000 0.833 541 L CB 1.479 42.966 42.059 -0.953 0.000 1.296 541 L HN -0.130 nan 8.230 nan 0.000 0.405 542 W N 4.179 125.470 121.300 -0.015 0.000 2.844 542 W HA 0.757 5.396 4.660 -0.034 0.000 0.340 542 W C -1.151 175.477 176.519 0.183 0.000 1.093 542 W CA -0.840 56.534 57.345 0.048 0.000 1.212 542 W CB 1.972 31.433 29.460 0.002 0.000 1.422 542 W HN 0.120 nan 8.180 nan 0.000 0.515 543 V N 2.575 122.707 119.914 0.363 0.000 2.483 543 V HA 0.682 4.781 4.120 -0.034 0.000 0.297 543 V C -0.115 176.176 176.094 0.328 0.000 1.027 543 V CA -0.811 61.683 62.300 0.324 0.000 0.855 543 V CB 1.390 33.317 31.823 0.174 0.000 0.995 543 V HN 0.589 nan 8.190 nan 0.000 0.424 544 T N 1.667 116.466 114.554 0.408 0.000 2.924 544 T HA 0.745 5.075 4.350 -0.034 0.000 0.291 544 T C -0.433 174.404 174.700 0.229 0.000 1.045 544 T CA -0.961 61.333 62.100 0.322 0.000 1.015 544 T CB 2.076 71.193 68.868 0.415 0.000 1.103 544 T HN 0.520 nan 8.240 nan 0.000 0.496 545 R N 0.978 121.567 120.500 0.148 0.000 2.389 545 R HA 0.312 4.631 4.340 -0.034 0.000 0.295 545 R C -0.767 175.582 176.300 0.082 0.000 1.075 545 R CA -0.713 55.454 56.100 0.111 0.000 1.005 545 R CB -0.436 29.907 30.300 0.071 0.000 0.987 545 R HN 0.770 nan 8.270 nan 0.000 0.452 546 Y N 3.189 123.485 120.300 -0.006 0.000 2.712 546 Y HA 0.287 4.816 4.550 -0.034 0.000 0.333 546 Y C -0.712 175.134 175.900 -0.091 0.000 1.225 546 Y CA 0.894 58.958 58.100 -0.060 0.000 1.499 546 Y CB 0.485 38.881 38.460 -0.106 0.000 1.288 546 Y HN 0.739 nan 8.280 nan 0.000 0.575 547 A N 4.883 127.014 122.820 -1.149 0.000 2.488 547 A HA 0.320 4.620 4.320 -0.034 0.000 0.295 547 A C 0.014 176.969 177.584 -1.049 0.000 1.045 547 A CA -0.622 50.904 52.037 -0.852 0.000 0.703 547 A CB 0.969 19.685 19.000 -0.474 0.000 1.271 547 A HN 0.795 nan 8.150 nan 0.000 0.400 548 D N 0.873 120.878 120.400 -0.658 0.000 2.182 548 D HA -0.147 4.472 4.640 -0.034 0.000 0.201 548 D C 1.081 177.202 176.300 -0.299 0.000 0.986 548 D CA 2.131 55.918 54.000 -0.355 0.000 0.847 548 D CB 0.228 40.959 40.800 -0.115 0.000 0.942 548 D HN 0.709 nan 8.370 nan 0.000 0.467 549 D N 0.057 120.278 120.400 -0.299 0.000 2.339 549 D HA -0.057 4.562 4.640 -0.034 0.000 0.217 549 D C -0.093 176.010 176.300 -0.328 0.000 1.050 549 D CA 0.095 53.949 54.000 -0.243 0.000 0.856 549 D CB -0.367 40.340 40.800 -0.154 0.000 0.922 549 D HN 0.182 nan 8.370 nan 0.000 0.518 550 E N 0.865 120.772 120.200 -0.487 0.000 2.026 550 E HA 0.259 4.588 4.350 -0.034 0.000 0.253 550 E C 0.599 176.994 176.600 -0.343 0.000 1.056 550 E CA -0.243 55.742 56.400 -0.691 0.000 0.927 550 E CB 0.792 29.834 29.700 -1.096 0.000 1.172 550 E HN 0.171 nan 8.360 nan 0.000 0.445 551 R N 1.012 121.295 120.500 -0.361 0.000 2.105 551 R HA 0.083 4.403 4.340 -0.034 0.000 0.214 551 R C 0.011 175.977 176.300 -0.557 0.000 1.091 551 R CA 0.743 56.471 56.100 -0.620 0.000 1.007 551 R CB 0.293 29.878 30.300 -1.190 0.000 0.912 551 R HN 0.256 nan 8.270 nan 0.000 0.450 552 Y N 0.261 120.659 120.300 0.164 0.000 2.485 552 Y HA 0.300 4.830 4.550 -0.034 0.000 0.345 552 Y C -1.766 174.116 175.900 -0.031 0.000 0.998 552 Y CA -3.320 54.840 58.100 0.100 0.000 1.059 552 Y CB 1.063 39.471 38.460 -0.086 0.000 1.234 552 Y HN -0.158 nan 8.280 nan 0.000 0.461 553 P HA -0.093 nan 4.420 nan 0.000 0.230 553 P C 0.602 177.597 177.300 -0.509 0.000 1.158 553 P CA 1.450 64.196 63.100 -0.589 0.000 0.769 553 P CB 0.144 31.405 31.700 -0.731 0.000 0.807 554 T N -5.152 109.212 114.554 -0.316 0.000 3.040 554 T HA 0.514 4.843 4.350 -0.034 0.000 0.266 554 T C 0.853 175.377 174.700 -0.293 0.000 1.005 554 T CA 0.116 62.053 62.100 -0.271 0.000 0.906 554 T CB 0.067 68.817 68.868 -0.197 0.000 1.082 554 T HN 0.327 nan 8.240 nan 0.000 0.531 555 G N 1.406 110.093 108.800 -0.189 0.000 2.710 555 G HA2 -0.152 3.787 3.960 -0.034 0.000 0.668 555 G HA3 -0.152 3.787 3.960 -0.034 0.000 0.668 555 G C -0.227 174.631 174.900 -0.070 0.000 1.320 555 G CA -0.109 44.906 45.100 -0.142 0.000 0.860 555 G HN 0.158 nan 8.290 nan 0.000 0.538 556 D N -0.594 119.695 120.400 -0.185 0.000 2.194 556 D HA 0.054 4.673 4.640 -0.034 0.000 0.204 556 D C 0.855 176.631 176.300 -0.872 0.000 0.964 556 D CA 1.418 55.147 54.000 -0.452 0.000 0.846 556 D CB 0.045 40.408 40.800 -0.727 0.000 0.962 556 D HN 0.211 nan 8.370 nan 0.000 0.490 557 F N 0.635 120.462 119.950 -0.205 0.000 2.449 557 F HA 0.197 4.703 4.527 -0.035 0.000 0.344 557 F C 1.224 176.868 175.800 -0.260 0.000 1.180 557 F CA -0.575 57.271 58.000 -0.256 0.000 1.209 557 F CB 0.879 39.716 39.000 -0.272 0.000 1.440 557 F HN -0.344 nan 8.300 nan 0.000 0.526 558 V N -0.160 119.633 119.914 -0.201 0.000 2.307 558 V HA -0.243 3.857 4.120 -0.034 0.000 0.245 558 V C 1.432 177.368 176.094 -0.263 0.000 1.045 558 V CA 1.036 63.142 62.300 -0.324 0.000 1.024 558 V CB -0.499 31.050 31.823 -0.457 0.000 0.651 558 V HN 0.654 nan 8.190 nan 0.000 0.449 559 N N 1.140 119.737 118.700 -0.171 0.000 2.223 559 N HA -0.122 4.597 4.740 -0.034 0.000 0.271 559 N C 0.627 176.075 175.510 -0.104 0.000 1.315 559 N CA 0.815 53.788 53.050 -0.128 0.000 0.835 559 N CB -0.193 38.227 38.487 -0.112 0.000 1.066 559 N HN 0.513 nan 8.380 nan 0.000 0.486 560 Q N -0.270 119.478 119.800 -0.086 0.000 2.450 560 Q HA -0.316 4.003 4.340 -0.034 0.000 0.255 560 Q C -0.517 175.366 176.000 -0.195 0.000 1.003 560 Q CA 0.922 56.691 55.803 -0.056 0.000 1.097 560 Q CB -1.421 27.305 28.738 -0.020 0.000 1.544 560 Q HN 0.682 nan 8.270 nan 0.000 0.531 561 H N 0.045 118.925 119.070 -0.317 0.000 2.610 561 H HA 0.166 4.701 4.556 -0.035 0.000 0.336 561 H C 1.272 176.232 175.328 -0.613 0.000 1.087 561 H CA 0.836 56.619 56.048 -0.442 0.000 1.405 561 H CB 1.095 30.672 29.762 -0.308 0.000 1.460 561 H HN 0.267 nan 8.280 nan 0.000 0.538 562 S N 3.000 117.836 115.700 -1.440 0.000 2.402 562 S HA -0.011 4.438 4.470 -0.034 0.000 0.233 562 S C 1.097 175.538 174.600 -0.266 0.000 1.030 562 S CA 0.692 58.238 58.200 -1.090 0.000 1.003 562 S CB -0.239 62.400 63.200 -0.935 0.000 0.813 562 S HN 1.121 nan 8.310 nan 0.000 0.477 563 G N -1.256 107.590 108.800 0.077 0.000 2.440 563 G HA2 0.478 4.417 3.960 -0.034 0.000 0.684 563 G HA3 0.478 4.417 3.960 -0.034 0.000 0.684 563 G C 0.479 175.434 174.900 0.092 0.000 1.309 563 G CA 0.052 45.225 45.100 0.121 0.000 0.931 563 G HN 1.575 nan 8.290 nan 0.000 0.612 564 G N -1.286 107.511 108.800 -0.005 0.000 2.253 564 G HA2 0.223 4.162 3.960 -0.034 0.000 0.251 564 G HA3 0.223 4.162 3.960 -0.034 0.000 0.251 564 G C 1.315 176.120 174.900 -0.158 0.000 0.998 564 G CA 1.418 46.487 45.100 -0.052 0.000 0.621 564 G HN 2.594 nan 8.290 nan 0.000 0.524 565 A N 0.052 122.733 122.820 -0.232 0.000 2.386 565 A HA 0.774 5.073 4.320 -0.034 0.000 0.246 565 A C 1.935 179.219 177.584 -0.501 0.000 1.089 565 A CA 2.060 53.862 52.037 -0.391 0.000 0.790 565 A CB -0.048 18.576 19.000 -0.626 0.000 1.042 565 A HN 2.577 nan 8.150 nan 0.000 0.497 566 G N -1.112 107.261 108.800 -0.712 0.000 2.488 566 G HA2 -0.198 3.741 3.960 -0.034 0.000 0.237 566 G HA3 -0.198 3.741 3.960 -0.034 0.000 0.237 566 G C 0.800 174.681 174.900 -1.699 0.000 1.209 566 G CA 0.148 44.557 45.100 -1.151 0.000 0.929 566 G HN 1.177 nan 8.290 nan 0.000 0.578 567 L N 1.519 121.933 121.223 -1.349 0.000 2.010 567 L HA -0.157 4.162 4.340 -0.034 0.000 0.219 567 L C 0.353 176.858 176.870 -0.609 0.000 1.077 567 L CA 2.953 57.126 54.840 -1.112 0.000 0.773 567 L CB -1.454 39.702 42.059 -1.504 0.000 0.892 567 L HN 0.439 nan 8.230 nan 0.000 0.436 568 P HA -0.135 nan 4.420 nan 0.000 0.215 568 P C 1.724 178.944 177.300 -0.133 0.000 1.153 568 P CA 1.493 64.526 63.100 -0.112 0.000 0.853 568 P CB 0.084 31.734 31.700 -0.085 0.000 0.788 569 S N -1.999 113.532 115.700 -0.281 0.000 2.371 569 S HA -0.131 4.319 4.470 -0.034 0.000 0.224 569 S C 1.715 176.298 174.600 -0.029 0.000 1.029 569 S CA 1.028 59.129 58.200 -0.166 0.000 0.978 569 S CB -1.004 62.073 63.200 -0.206 0.000 0.833 569 S HN 0.109 nan 8.310 nan 0.000 0.466 570 Y N 1.700 121.922 120.300 -0.129 0.000 2.114 570 Y HA 0.004 4.533 4.550 -0.034 0.000 0.284 570 Y C 2.311 178.185 175.900 -0.043 0.000 1.143 570 Y CA -0.375 57.660 58.100 -0.109 0.000 1.135 570 Y CB -1.126 37.225 38.460 -0.182 0.000 0.980 570 Y HN 0.173 nan 8.280 nan 0.000 0.499 571 I N 0.246 120.896 120.570 0.133 0.000 2.335 571 I HA -0.283 3.867 4.170 -0.034 0.000 0.251 571 I C 2.470 178.642 176.117 0.091 0.000 1.129 571 I CA 1.454 62.834 61.300 0.134 0.000 1.402 571 I CB -1.656 36.460 38.000 0.193 0.000 1.069 571 I HN 0.169 nan 8.210 nan 0.000 0.424 572 A N 0.248 123.108 122.820 0.065 0.000 2.076 572 A HA -0.230 4.069 4.320 -0.034 0.000 0.220 572 A C 2.150 179.762 177.584 0.046 0.000 1.160 572 A CA 1.257 53.322 52.037 0.046 0.000 0.653 572 A CB -0.593 18.423 19.000 0.027 0.000 0.801 572 A HN 0.566 nan 8.150 nan 0.000 0.455 573 Q N -1.313 118.521 119.800 0.057 0.000 2.364 573 Q HA -0.097 4.222 4.340 -0.034 0.000 0.207 573 Q C 0.164 176.191 176.000 0.044 0.000 0.970 573 Q CA 0.502 56.332 55.803 0.046 0.000 0.888 573 Q CB -0.095 28.671 28.738 0.046 0.000 0.951 573 Q HN 0.611 nan 8.270 nan 0.000 0.469 574 D N 0.832 121.264 120.400 0.053 0.000 2.697 574 D HA -0.173 4.447 4.640 -0.034 0.000 0.235 574 D C -0.922 175.406 176.300 0.047 0.000 1.167 574 D CA 0.613 54.642 54.000 0.050 0.000 0.656 574 D CB -0.590 40.233 40.800 0.038 0.000 1.025 574 D HN 0.225 nan 8.370 nan 0.000 0.419 575 R N 0.327 120.859 120.500 0.053 0.000 2.577 575 R HA 0.359 4.679 4.340 -0.034 0.000 0.269 575 R C 0.227 176.559 176.300 0.055 0.000 1.084 575 R CA -0.548 55.581 56.100 0.049 0.000 1.163 575 R CB 0.396 30.724 30.300 0.046 0.000 1.100 575 R HN 0.182 nan 8.270 nan 0.000 0.547 576 D N 1.577 122.007 120.400 0.049 0.000 2.348 576 D HA 0.051 4.671 4.640 -0.034 0.000 0.253 576 D C 0.469 176.807 176.300 0.064 0.000 1.161 576 D CA -0.097 53.935 54.000 0.052 0.000 0.876 576 D CB 0.538 41.364 40.800 0.044 0.000 1.160 576 D HN 0.547 nan 8.370 nan 0.000 0.459 577 I N -0.103 120.509 120.570 0.071 0.000 4.050 577 I HA 0.344 4.493 4.170 -0.034 0.000 0.327 577 I C 0.105 176.269 176.117 0.079 0.000 1.473 577 I CA -0.498 60.852 61.300 0.084 0.000 1.124 577 I CB 0.465 38.525 38.000 0.100 0.000 1.129 577 I HN 0.107 nan 8.210 nan 0.000 0.428 578 D N 3.034 123.474 120.400 0.067 0.000 2.494 578 D HA 0.353 4.973 4.640 -0.034 0.000 0.217 578 D C 1.054 177.390 176.300 0.059 0.000 1.153 578 D CA 0.500 54.538 54.000 0.062 0.000 0.954 578 D CB 0.354 41.185 40.800 0.053 0.000 1.034 578 D HN 0.566 nan 8.370 nan 0.000 0.518 579 G N 3.202 112.042 108.800 0.066 0.000 2.370 579 G HA2 -0.172 3.768 3.960 -0.034 0.000 0.268 579 G HA3 -0.172 3.768 3.960 -0.034 0.000 0.268 579 G C -0.128 174.814 174.900 0.070 0.000 1.122 579 G CA -0.329 44.810 45.100 0.064 0.000 0.963 579 G HN 0.478 nan 8.290 nan 0.000 0.500 580 Q N -0.787 119.062 119.800 0.083 0.000 2.857 580 Q HA 0.394 4.713 4.340 -0.034 0.000 0.319 580 Q C -1.064 175.004 176.000 0.113 0.000 0.963 580 Q CA -0.924 54.932 55.803 0.088 0.000 0.770 580 Q CB 0.943 29.728 28.738 0.078 0.000 1.492 580 Q HN 0.236 nan 8.270 nan 0.000 0.493 581 D N 1.867 122.330 120.400 0.105 0.000 2.344 581 D HA 0.320 4.939 4.640 -0.034 0.000 0.253 581 D C -0.396 175.988 176.300 0.140 0.000 1.255 581 D CA 0.049 54.117 54.000 0.112 0.000 0.894 581 D CB -0.264 40.511 40.800 -0.041 0.000 1.067 581 D HN 0.434 nan 8.370 nan 0.000 0.492 582 I N 0.045 120.706 120.570 0.151 0.000 3.067 582 I HA 0.686 4.835 4.170 -0.034 0.000 0.312 582 I C -0.998 175.190 176.117 0.119 0.000 1.073 582 I CA -1.100 60.288 61.300 0.146 0.000 1.016 582 I CB 2.222 40.300 38.000 0.129 0.000 1.227 582 I HN -0.080 nan 8.210 nan 0.000 0.456 583 V N 3.495 123.473 119.914 0.108 0.000 2.638 583 V HA 0.430 4.529 4.120 -0.034 0.000 0.306 583 V C -0.191 175.876 176.094 -0.045 0.000 1.052 583 V CA -0.662 61.611 62.300 -0.045 0.000 0.885 583 V CB 1.823 33.554 31.823 -0.153 0.000 0.999 583 V HN 0.565 nan 8.190 nan 0.000 0.424 584 V N 3.605 123.431 119.914 -0.146 0.000 2.427 584 V HA 0.472 4.571 4.120 -0.034 0.000 0.286 584 V C -1.111 174.902 176.094 -0.134 0.000 1.034 584 V CA -0.487 61.799 62.300 -0.024 0.000 0.893 584 V CB 1.614 33.422 31.823 -0.024 0.000 0.982 584 V HN 0.916 nan 8.190 nan 0.000 0.452 585 W N 3.901 125.243 121.300 0.071 0.000 2.362 585 W HA 0.525 5.164 4.660 -0.035 0.000 0.316 585 W C -0.176 176.434 176.519 0.152 0.000 1.024 585 W CA -0.638 56.751 57.345 0.074 0.000 1.270 585 W CB 0.510 29.985 29.460 0.025 0.000 1.273 585 W HN 0.589 nan 8.180 nan 0.000 0.424 586 H N 1.656 120.804 119.070 0.129 0.000 2.476 586 H HA 0.528 5.063 4.556 -0.034 0.000 0.328 586 H C -0.409 175.090 175.328 0.285 0.000 1.073 586 H CA -0.266 55.820 56.048 0.063 0.000 1.229 586 H CB 1.055 30.643 29.762 -0.291 0.000 1.432 586 H HN 0.190 nan 8.280 nan 0.000 0.477 587 T N 7.279 121.805 114.554 -0.047 0.000 2.799 587 T HA 0.444 4.774 4.350 -0.034 0.000 0.286 587 T C -1.049 173.537 174.700 -0.191 0.000 0.973 587 T CA -0.302 61.791 62.100 -0.011 0.000 1.035 587 T CB -0.261 68.695 68.868 0.147 0.000 0.932 587 T HN 0.491 nan 8.240 nan 0.000 0.469 588 F N -0.062 119.762 119.950 -0.210 0.000 2.628 588 F HA 0.857 5.364 4.527 -0.034 0.000 0.309 588 F C -0.251 175.618 175.800 0.114 0.000 1.108 588 F CA -1.176 56.770 58.000 -0.090 0.000 0.971 588 F CB 1.074 40.014 39.000 -0.101 0.000 1.279 588 F HN 0.799 nan 8.300 nan 0.000 0.441 589 G N 1.588 110.467 108.800 0.132 0.000 2.550 589 G HA2 0.603 4.542 3.960 -0.034 0.000 0.293 589 G HA3 0.603 4.542 3.960 -0.034 0.000 0.293 589 G C -2.454 172.480 174.900 0.057 0.000 1.402 589 G CA -1.143 43.994 45.100 0.061 0.000 0.784 589 G HN 0.825 nan 8.290 nan 0.000 0.482 590 L N 0.317 121.515 121.223 -0.043 0.000 2.325 590 L HA 0.634 4.954 4.340 -0.034 0.000 0.278 590 L C -0.079 176.589 176.870 -0.337 0.000 1.023 590 L CA -0.708 54.040 54.840 -0.154 0.000 0.811 590 L CB 2.375 44.271 42.059 -0.271 0.000 1.249 590 L HN 0.423 nan 8.230 nan 0.000 0.431 591 T N 0.527 114.912 114.554 -0.281 0.000 2.770 591 T HA 0.400 4.730 4.350 -0.034 0.000 0.283 591 T C -0.720 173.739 174.700 -0.403 0.000 0.988 591 T CA -0.447 61.407 62.100 -0.408 0.000 0.957 591 T CB 0.383 69.083 68.868 -0.281 0.000 0.930 591 T HN 0.430 nan 8.240 nan 0.000 0.443 592 H N 1.766 120.374 119.070 -0.769 0.000 2.505 592 H HA 0.383 4.919 4.556 -0.035 0.000 0.338 592 H C -1.004 173.802 175.328 -0.870 0.000 1.057 592 H CA -0.953 54.676 56.048 -0.698 0.000 1.202 592 H CB 1.109 30.495 29.762 -0.627 0.000 1.466 592 H HN 0.474 nan 8.280 nan 0.000 0.499 593 F N 3.486 123.327 119.950 -0.180 0.000 2.453 593 F HA 0.260 4.766 4.527 -0.035 0.000 0.358 593 F C -2.147 173.628 175.800 -0.042 0.000 1.129 593 F CA -2.486 55.334 58.000 -0.300 0.000 1.200 593 F CB 0.521 39.197 39.000 -0.538 0.000 1.431 593 F HN 0.378 nan 8.300 nan 0.000 0.503 594 P HA -0.022 nan 4.420 nan 0.000 0.261 594 P C -0.148 177.250 177.300 0.163 0.000 1.165 594 P CA 0.520 63.734 63.100 0.191 0.000 0.759 594 P CB 0.568 32.443 31.700 0.293 0.000 0.772 595 R N 1.824 122.384 120.500 0.099 0.000 2.691 595 R HA 0.347 4.666 4.340 -0.034 0.000 0.259 595 R C 1.218 177.572 176.300 0.089 0.000 1.048 595 R CA -1.027 55.118 56.100 0.076 0.000 1.086 595 R CB 0.296 30.622 30.300 0.043 0.000 1.166 595 R HN 0.095 nan 8.270 nan 0.000 0.526 596 V N 1.167 121.120 119.914 0.066 0.000 2.490 596 V HA -0.191 3.908 4.120 -0.034 0.000 0.250 596 V C 1.398 177.566 176.094 0.123 0.000 1.061 596 V CA 1.784 64.138 62.300 0.089 0.000 1.064 596 V CB -0.587 31.266 31.823 0.050 0.000 0.670 596 V HN 0.681 nan 8.190 nan 0.000 0.461 597 E N 0.060 120.305 120.200 0.076 0.000 2.409 597 E HA -0.148 4.181 4.350 -0.034 0.000 0.198 597 E C 1.538 178.174 176.600 0.060 0.000 1.024 597 E CA 0.798 57.231 56.400 0.056 0.000 0.861 597 E CB -0.197 29.517 29.700 0.024 0.000 0.788 597 E HN 0.587 nan 8.360 nan 0.000 0.521 598 D N -1.009 119.451 120.400 0.099 0.000 2.340 598 D HA -0.047 4.573 4.640 -0.034 0.000 0.220 598 D C -0.251 176.162 176.300 0.188 0.000 1.039 598 D CA 0.192 54.254 54.000 0.104 0.000 0.866 598 D CB 0.179 41.043 40.800 0.106 0.000 0.913 598 D HN 0.215 nan 8.370 nan 0.000 0.523 599 W N 2.486 123.787 121.300 0.001 0.000 2.606 599 W HA 0.215 4.852 4.660 -0.037 0.000 0.332 599 W C -1.943 174.589 176.519 0.021 0.000 1.052 599 W CA -2.005 55.348 57.345 0.013 0.000 1.223 599 W CB 2.157 31.627 29.460 0.017 0.000 1.383 599 W HN -0.211 nan 8.180 nan 0.000 0.524 600 P HA 0.087 nan 4.420 nan 0.000 0.236 600 P C -0.007 176.848 177.300 -0.741 0.000 1.177 600 P CA 0.851 63.042 63.100 -1.514 0.000 0.773 600 P CB 1.406 32.492 31.700 -1.023 0.000 0.878 601 I N 0.312 120.632 120.570 -0.416 0.000 2.607 601 I HA 0.296 4.445 4.170 -0.034 0.000 0.290 601 I C -0.610 175.375 176.117 -0.220 0.000 1.129 601 I CA -1.818 59.246 61.300 -0.394 0.000 1.042 601 I CB 2.387 39.919 38.000 -0.780 0.000 1.242 601 I HN -0.256 nan 8.210 nan 0.000 0.421 602 M N 7.690 127.212 119.600 -0.130 0.000 2.249 602 M HA 0.663 5.123 4.480 -0.034 0.000 0.351 602 M C -2.653 173.598 176.300 -0.080 0.000 1.180 602 M CA -1.392 53.872 55.300 -0.061 0.000 1.127 602 M CB 0.702 33.311 32.600 0.014 0.000 1.546 602 M HN 0.182 nan 8.290 nan 0.000 0.461 603 P HA 0.165 nan 4.420 nan 0.000 0.274 603 P C -0.675 176.597 177.300 -0.048 0.000 1.231 603 P CA -0.545 62.519 63.100 -0.061 0.000 0.790 603 P CB 0.630 32.300 31.700 -0.049 0.000 0.951 604 V N 2.577 122.468 119.914 -0.037 0.000 2.617 604 V HA -0.019 4.081 4.120 -0.034 0.000 0.304 604 V C 0.565 176.642 176.094 -0.028 0.000 1.040 604 V CA 1.009 63.294 62.300 -0.024 0.000 1.149 604 V CB 0.008 31.826 31.823 -0.008 0.000 0.914 604 V HN 0.576 nan 8.190 nan 0.000 0.487 605 D N 2.595 122.984 120.400 -0.018 0.000 2.350 605 D HA 0.645 5.265 4.640 -0.034 0.000 0.245 605 D C -0.210 176.090 176.300 0.000 0.000 1.036 605 D CA -0.200 53.811 54.000 0.019 0.000 0.848 605 D CB 2.107 42.970 40.800 0.105 0.000 1.307 605 D HN 0.731 nan 8.370 nan 0.000 0.469 606 T N -0.874 113.686 114.554 0.010 0.000 2.916 606 T HA 0.768 5.097 4.350 -0.034 0.000 0.292 606 T C -0.866 173.874 174.700 0.067 0.000 1.055 606 T CA -0.832 61.256 62.100 -0.021 0.000 1.009 606 T CB 1.585 70.417 68.868 -0.059 0.000 1.118 606 T HN 0.227 nan 8.240 nan 0.000 0.497 607 V N 0.140 120.086 119.914 0.053 0.000 3.147 607 V HA 0.857 4.956 4.120 -0.034 0.000 0.299 607 V C -0.189 175.916 176.094 0.019 0.000 1.302 607 V CA 0.542 62.960 62.300 0.196 0.000 1.015 607 V CB 1.693 33.682 31.823 0.278 0.000 1.086 607 V HN 1.633 nan 8.190 nan 0.000 0.437 608 G N 3.281 111.883 108.800 -0.330 0.000 2.474 608 G HA2 0.751 4.690 3.960 -0.034 0.000 0.234 608 G HA3 0.751 4.690 3.960 -0.034 0.000 0.234 608 G C -1.363 172.969 174.900 -0.947 0.000 1.204 608 G CA 0.235 44.954 45.100 -0.635 0.000 0.939 608 G HN 1.920 nan 8.290 nan 0.000 0.491 609 F N -1.010 118.573 119.950 -0.610 0.000 2.842 609 F HA 0.819 5.325 4.527 -0.035 0.000 0.319 609 F C -1.218 174.558 175.800 -0.039 0.000 1.159 609 F CA -0.991 56.831 58.000 -0.296 0.000 0.902 609 F CB 1.345 40.182 39.000 -0.271 0.000 1.311 609 F HN 0.819 nan 8.300 nan 0.000 0.453 610 K N 0.994 121.556 120.400 0.270 0.000 2.556 610 K HA 0.827 5.127 4.320 -0.034 0.000 0.274 610 K C -2.482 174.357 176.600 0.398 0.000 0.966 610 K CA -1.039 55.386 56.287 0.231 0.000 0.865 610 K CB 2.666 35.259 32.500 0.156 0.000 1.444 610 K HN 0.735 nan 8.250 nan 0.000 0.433 611 L N 1.709 123.166 121.223 0.390 0.000 2.381 611 L HA 0.552 4.871 4.340 -0.034 0.000 0.274 611 L C -0.587 176.562 176.870 0.464 0.000 0.988 611 L CA -0.525 54.583 54.840 0.447 0.000 0.824 611 L CB 2.003 44.336 42.059 0.456 0.000 1.263 611 L HN 0.571 nan 8.230 nan 0.000 0.410 612 R N 3.502 124.197 120.500 0.326 0.000 2.664 612 R HA 0.551 4.871 4.340 -0.034 0.000 0.286 612 R C -2.520 173.546 176.300 -0.391 0.000 0.967 612 R CA -1.895 54.259 56.100 0.090 0.000 0.933 612 R CB 1.506 31.870 30.300 0.107 0.000 1.146 612 R HN 0.313 nan 8.270 nan 0.000 0.468 613 P HA -0.046 nan 4.420 nan 0.000 0.266 613 P C -0.771 176.299 177.300 -0.383 0.000 1.195 613 P CA 0.186 62.617 63.100 -1.116 0.000 0.768 613 P CB 0.814 32.241 31.700 -0.455 0.000 0.838 614 E N 1.981 122.024 120.200 -0.262 0.000 2.873 614 E HA 0.438 4.768 4.350 -0.034 0.000 0.232 614 E C 0.682 177.281 176.600 -0.000 0.000 1.123 614 E CA -0.363 55.998 56.400 -0.066 0.000 0.809 614 E CB -0.619 29.063 29.700 -0.030 0.000 1.366 614 E HN 0.681 nan 8.360 nan 0.000 0.400 615 G N 3.180 111.993 108.800 0.022 0.000 2.160 615 G HA2 -0.361 3.579 3.960 -0.034 0.000 0.251 615 G HA3 -0.361 3.579 3.960 -0.034 0.000 0.251 615 G C 0.503 175.413 174.900 0.016 0.000 1.008 615 G CA 0.381 45.497 45.100 0.027 0.000 0.724 615 G HN 0.533 nan 8.290 nan 0.000 0.514 616 F N 0.134 119.973 119.950 -0.184 0.000 2.187 616 F HA 0.450 4.957 4.527 -0.034 0.000 0.295 616 F C 1.372 176.903 175.800 -0.448 0.000 1.091 616 F CA 0.647 58.438 58.000 -0.349 0.000 1.308 616 F CB 0.006 38.679 39.000 -0.545 0.000 1.030 616 F HN 0.133 nan 8.300 nan 0.000 0.487 617 F N 0.210 120.172 119.950 0.021 0.000 2.410 617 F HA 0.237 4.743 4.527 -0.035 0.000 0.324 617 F C 1.413 177.178 175.800 -0.059 0.000 1.093 617 F CA -0.761 57.207 58.000 -0.053 0.000 1.028 617 F CB 0.210 39.203 39.000 -0.011 0.000 1.309 617 F HN -0.302 nan 8.300 nan 0.000 0.499 618 D N -0.230 120.267 120.400 0.160 0.000 2.350 618 D HA 0.095 4.714 4.640 -0.034 0.000 0.213 618 D C 0.233 176.571 176.300 0.063 0.000 1.031 618 D CA 0.532 54.573 54.000 0.068 0.000 0.861 618 D CB 0.318 41.141 40.800 0.037 0.000 0.926 618 D HN 0.505 nan 8.370 nan 0.000 0.520 619 R N -2.050 118.503 120.500 0.088 0.000 2.832 619 R HA 0.206 4.525 4.340 -0.034 0.000 0.283 619 R C -0.772 175.533 176.300 0.007 0.000 0.998 619 R CA -0.749 55.373 56.100 0.036 0.000 0.843 619 R CB 0.338 30.646 30.300 0.012 0.000 1.332 619 R HN -0.168 nan 8.270 nan 0.000 0.490 620 S N 0.981 116.662 115.700 -0.032 0.000 2.563 620 S HA 0.101 4.551 4.470 -0.034 0.000 0.294 620 S C -1.345 173.159 174.600 -0.160 0.000 1.279 620 S CA -0.666 57.482 58.200 -0.088 0.000 1.069 620 S CB 0.431 63.600 63.200 -0.051 0.000 0.828 620 S HN 0.522 nan 8.310 nan 0.000 0.497 621 P HA 0.147 nan 4.420 nan 0.000 0.262 621 P C 0.423 177.623 177.300 -0.166 0.000 1.304 621 P CA 0.085 62.945 63.100 -0.400 0.000 0.859 621 P CB -0.135 30.883 31.700 -1.137 0.000 1.310 622 V N -3.938 115.920 119.914 -0.092 0.000 3.006 622 V HA 0.255 4.354 4.120 -0.034 0.000 0.357 622 V C 1.496 177.612 176.094 0.037 0.000 1.377 622 V CA -0.104 62.192 62.300 -0.006 0.000 1.198 622 V CB -0.705 31.136 31.823 0.031 0.000 1.216 622 V HN -0.127 nan 8.190 nan 0.000 0.520 623 L N 1.227 122.463 121.223 0.023 0.000 2.395 623 L HA 0.036 4.356 4.340 -0.034 0.000 0.218 623 L C 2.119 179.029 176.870 0.067 0.000 1.130 623 L CA 1.437 56.313 54.840 0.060 0.000 0.826 623 L CB -0.220 41.852 42.059 0.021 0.000 0.941 623 L HN 0.564 nan 8.230 nan 0.000 0.451 624 D N -0.542 119.878 120.400 0.032 0.000 2.328 624 D HA -0.009 4.610 4.640 -0.034 0.000 0.221 624 D C 0.601 176.909 176.300 0.013 0.000 1.072 624 D CA 0.036 54.049 54.000 0.021 0.000 0.850 624 D CB -0.126 40.674 40.800 0.001 0.000 0.922 624 D HN 0.013 nan 8.370 nan 0.000 0.516 625 V N 3.290 123.219 119.914 0.025 0.000 2.508 625 V HA 0.183 4.283 4.120 -0.034 0.000 0.281 625 V C -1.578 174.517 176.094 0.001 0.000 1.041 625 V CA -1.114 61.190 62.300 0.006 0.000 1.016 625 V CB 0.990 32.823 31.823 0.017 0.000 0.984 625 V HN 0.163 nan 8.190 nan 0.000 0.478 626 P HA 0.232 nan 4.420 nan 0.000 0.274 626 P C 0.250 177.521 177.300 -0.049 0.000 1.246 626 P CA -0.312 62.775 63.100 -0.022 0.000 0.795 626 P CB 1.424 33.114 31.700 -0.017 0.000 1.006 627 A N 1.054 123.837 122.820 -0.061 0.000 1.935 627 A HA -0.001 4.299 4.320 -0.034 0.000 0.214 627 A C 0.806 178.357 177.584 -0.056 0.000 1.178 627 A CA 0.657 52.639 52.037 -0.090 0.000 0.640 627 A CB -0.907 18.035 19.000 -0.096 0.000 0.825 627 A HN 0.716 nan 8.150 nan 0.000 0.447 628 N N 0.000 118.680 118.700 -0.033 0.000 1.763 628 N HA 0.000 4.719 4.740 -0.034 0.000 0.220 628 N CA 0.000 53.039 53.050 -0.019 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