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 2e2u_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.581 177.584 -0.004 0.000 1.274 9 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 9 A CB 0.000 19.003 19.000 0.006 0.000 0.831 10 S N 2.455 118.161 115.700 0.010 0.000 2.531 10 S HA 0.412 4.871 4.470 -0.017 0.000 0.279 10 S C -1.177 173.413 174.600 -0.017 0.000 1.305 10 S CA -0.517 57.701 58.200 0.030 0.000 1.058 10 S CB 0.929 64.178 63.200 0.081 0.000 0.899 10 S HN 0.366 nan 8.310 nan 0.000 0.493 11 P HA 0.041 nan 4.420 nan 0.000 0.242 11 P C 0.229 177.226 177.300 -0.505 0.000 1.197 11 P CA 0.659 63.571 63.100 -0.314 0.000 0.765 11 P CB -0.089 31.356 31.700 -0.426 0.000 0.936 12 F N 0.548 120.429 119.950 -0.115 0.000 2.653 12 F HA 0.214 4.731 4.527 -0.017 0.000 0.304 12 F C 1.558 177.292 175.800 -0.109 0.000 1.092 12 F CA -0.743 57.144 58.000 -0.189 0.000 1.279 12 F CB -0.134 38.748 39.000 -0.197 0.000 1.044 12 F HN -0.160 nan 8.300 nan 0.000 0.564 13 R N 0.625 121.160 120.500 0.059 0.000 2.784 13 R HA 0.272 4.602 4.340 -0.017 0.000 0.266 13 R C -0.137 176.191 176.300 0.046 0.000 1.044 13 R CA -0.475 55.664 56.100 0.065 0.000 1.151 13 R CB 0.404 30.733 30.300 0.048 0.000 1.037 13 R HN 0.129 nan 8.270 nan 0.000 0.478 14 L N 1.324 122.586 121.223 0.065 0.000 2.467 14 L HA 0.170 4.499 4.340 -0.017 0.000 0.270 14 L C 0.746 177.659 176.870 0.071 0.000 1.205 14 L CA -0.298 54.583 54.840 0.068 0.000 0.828 14 L CB 0.570 42.669 42.059 0.066 0.000 1.101 14 L HN 0.848 nan 8.230 nan 0.000 0.479 15 A N 2.120 124.997 122.820 0.095 0.000 2.462 15 A HA 0.376 4.686 4.320 -0.017 0.000 0.243 15 A C 0.297 177.953 177.584 0.120 0.000 1.076 15 A CA -0.217 51.924 52.037 0.173 0.000 0.773 15 A CB 0.162 19.326 19.000 0.274 0.000 1.010 15 A HN 0.748 nan 8.150 nan 0.000 0.493 16 S N 1.306 117.070 115.700 0.106 0.000 2.651 16 S HA 0.614 5.073 4.470 -0.017 0.000 0.291 16 S C 1.152 175.766 174.600 0.024 0.000 1.141 16 S CA -0.194 58.036 58.200 0.051 0.000 1.027 16 S CB 1.551 64.773 63.200 0.037 0.000 1.043 16 S HN 1.585 nan 8.310 nan 0.000 0.530 17 A N 1.845 124.669 122.820 0.007 0.000 1.940 17 A HA 0.086 4.396 4.320 -0.017 0.000 0.219 17 A C 2.138 179.702 177.584 -0.033 0.000 1.176 17 A CA 1.922 53.953 52.037 -0.010 0.000 0.631 17 A CB -1.814 17.182 19.000 -0.007 0.000 0.814 17 A HN 1.196 nan 8.150 nan 0.000 0.446 18 G N -0.628 108.155 108.800 -0.028 0.000 2.418 18 G HA2 -0.223 3.727 3.960 -0.017 0.000 0.217 18 G HA3 -0.223 3.727 3.960 -0.017 0.000 0.217 18 G C 1.435 176.285 174.900 -0.084 0.000 1.158 18 G CA 0.997 46.070 45.100 -0.044 0.000 0.771 18 G HN 0.668 nan 8.290 nan 0.000 0.545 19 E N -0.106 120.039 120.200 -0.092 0.000 2.106 19 E HA -0.039 4.300 4.350 -0.017 0.000 0.192 19 E C 2.510 178.872 176.600 -0.396 0.000 0.984 19 E CA 0.492 56.768 56.400 -0.207 0.000 0.806 19 E CB -0.110 29.533 29.700 -0.095 0.000 0.750 19 E HN 0.493 nan 8.360 nan 0.000 0.458 20 I N 0.669 121.077 120.570 -0.271 0.000 2.202 20 I HA -0.233 3.927 4.170 -0.017 0.000 0.242 20 I C 2.365 178.363 176.117 -0.198 0.000 1.091 20 I CA 0.747 61.886 61.300 -0.268 0.000 1.368 20 I CB -0.159 37.772 38.000 -0.116 0.000 1.058 20 I HN -0.014 nan 8.210 nan 0.000 0.410 21 S N 0.159 115.781 115.700 -0.130 0.000 2.399 21 S HA -0.221 4.239 4.470 -0.017 0.000 0.231 21 S C 1.890 176.425 174.600 -0.107 0.000 1.022 21 S CA 1.402 59.547 58.200 -0.090 0.000 0.983 21 S CB -0.210 62.954 63.200 -0.060 0.000 0.803 21 S HN 0.371 nan 8.310 nan 0.000 0.480 22 E N 1.071 121.184 120.200 -0.144 0.000 2.107 22 E HA -0.043 4.297 4.350 -0.017 0.000 0.191 22 E C 1.874 178.377 176.600 -0.161 0.000 0.982 22 E CA 0.671 56.990 56.400 -0.136 0.000 0.809 22 E CB -0.262 29.355 29.700 -0.138 0.000 0.756 22 E HN 0.238 nan 8.360 nan 0.000 0.459 23 V N 0.883 120.645 119.914 -0.253 0.000 2.343 23 V HA -0.279 3.830 4.120 -0.017 0.000 0.247 23 V C 2.549 178.566 176.094 -0.128 0.000 1.051 23 V CA 2.206 64.362 62.300 -0.239 0.000 1.036 23 V CB -0.592 31.009 31.823 -0.370 0.000 0.654 23 V HN 0.408 nan 8.190 nan 0.000 0.451 24 Q N 0.131 119.864 119.800 -0.111 0.000 2.061 24 Q HA -0.197 4.133 4.340 -0.017 0.000 0.204 24 Q C 2.254 178.230 176.000 -0.041 0.000 0.984 24 Q CA 2.227 57.997 55.803 -0.055 0.000 0.846 24 Q CB -0.531 28.185 28.738 -0.038 0.000 0.902 24 Q HN 0.643 nan 8.270 nan 0.000 0.421 25 G N 1.174 109.943 108.800 -0.051 0.000 2.418 25 G HA2 -0.210 3.739 3.960 -0.017 0.000 0.217 25 G HA3 -0.210 3.739 3.960 -0.017 0.000 0.217 25 G C 1.409 176.288 174.900 -0.034 0.000 1.158 25 G CA 0.782 45.859 45.100 -0.038 0.000 0.771 25 G HN 0.318 nan 8.290 nan 0.000 0.545 26 I N 0.903 121.446 120.570 -0.044 0.000 2.179 26 I HA -0.072 4.088 4.170 -0.017 0.000 0.242 26 I C 2.855 178.960 176.117 -0.019 0.000 1.088 26 I CA 0.813 62.093 61.300 -0.033 0.000 1.357 26 I CB -1.161 36.815 38.000 -0.041 0.000 1.051 26 I HN 0.165 nan 8.210 nan 0.000 0.409 27 L N -0.050 121.162 121.223 -0.019 0.000 2.046 27 L HA -0.191 4.139 4.340 -0.017 0.000 0.208 27 L C 2.814 179.684 176.870 0.001 0.000 1.077 27 L CA 1.281 56.120 54.840 -0.002 0.000 0.747 27 L CB -0.594 41.466 42.059 0.002 0.000 0.896 27 L HN 0.170 nan 8.230 nan 0.000 0.432 28 R N -0.550 119.948 120.500 -0.003 0.000 2.073 28 R HA -0.132 4.198 4.340 -0.017 0.000 0.234 28 R C 2.315 178.613 176.300 -0.004 0.000 1.134 28 R CA 1.960 58.059 56.100 -0.001 0.000 0.952 28 R CB -0.663 29.635 30.300 -0.004 0.000 0.850 28 R HN 0.290 nan 8.270 nan 0.000 0.433 29 T N 0.672 115.221 114.554 -0.008 0.000 2.803 29 T HA -0.137 4.203 4.350 -0.017 0.000 0.269 29 T C 1.678 176.375 174.700 -0.004 0.000 1.052 29 T CA 1.422 63.518 62.100 -0.008 0.000 1.136 29 T CB -0.133 68.728 68.868 -0.011 0.000 0.864 29 T HN 0.370 nan 8.240 nan 0.000 0.467 30 A N 0.283 123.102 122.820 -0.002 0.000 2.238 30 A HA 0.492 4.801 4.320 -0.017 0.000 0.208 30 A C 1.910 179.496 177.584 0.003 0.000 1.177 30 A CA 0.812 52.850 52.037 0.002 0.000 0.804 30 A CB -0.791 18.212 19.000 0.005 0.000 0.823 30 A HN 0.719 nan 8.150 nan 0.000 0.482 31 G N -1.167 107.634 108.800 0.002 0.000 2.160 31 G HA2 -0.248 3.702 3.960 -0.017 0.000 0.251 31 G HA3 -0.248 3.702 3.960 -0.017 0.000 0.251 31 G C 0.534 175.437 174.900 0.005 0.000 1.008 31 G CA 0.558 45.659 45.100 0.002 0.000 0.724 31 G HN 0.528 nan 8.290 nan 0.000 0.514 32 L N -1.320 119.909 121.223 0.010 0.000 2.640 32 L HA 0.470 4.799 4.340 -0.017 0.000 0.230 32 L C 1.038 177.920 176.870 0.020 0.000 1.123 32 L CA 0.061 54.910 54.840 0.015 0.000 0.900 32 L CB 0.572 42.644 42.059 0.022 0.000 1.146 32 L HN 0.197 nan 8.230 nan 0.000 0.484 33 L N 0.565 121.799 121.223 0.019 0.000 2.678 33 L HA 0.507 4.836 4.340 -0.017 0.000 0.250 33 L C 0.588 177.476 176.870 0.030 0.000 1.455 33 L CA -0.189 54.669 54.840 0.030 0.000 0.823 33 L CB 0.480 42.559 42.059 0.033 0.000 1.107 33 L HN -0.058 nan 8.230 nan 0.000 0.514 34 G N 0.700 109.513 108.800 0.022 0.000 2.588 34 G HA2 0.312 4.261 3.960 -0.017 0.000 0.278 34 G HA3 0.312 4.261 3.960 -0.017 0.000 0.278 34 G C -1.544 173.377 174.900 0.034 0.000 1.307 34 G CA -0.473 44.638 45.100 0.018 0.000 1.016 34 G HN 0.389 nan 8.290 nan 0.000 0.503 35 P HA -0.060 nan 4.420 nan 0.000 0.221 35 P C 0.840 178.175 177.300 0.059 0.000 1.145 35 P CA 0.982 64.102 63.100 0.034 0.000 0.795 35 P CB 0.387 32.089 31.700 0.003 0.000 0.775 36 E N -0.473 119.746 120.200 0.032 0.000 2.479 36 E HA 0.068 4.407 4.350 -0.017 0.000 0.193 36 E C 0.493 177.093 176.600 0.001 0.000 1.049 36 E CA 0.372 56.781 56.400 0.015 0.000 0.870 36 E CB 0.135 29.824 29.700 -0.019 0.000 0.944 36 E HN 0.320 nan 8.360 nan 0.000 0.492 37 K N 1.392 121.812 120.400 0.033 0.000 2.118 37 K HA 0.360 4.670 4.320 -0.017 0.000 0.267 37 K C 0.385 177.022 176.600 0.062 0.000 0.991 37 K CA -0.444 55.857 56.287 0.024 0.000 0.916 37 K CB 1.478 33.998 32.500 0.033 0.000 1.041 37 K HN -0.166 nan 8.250 nan 0.000 0.455 38 R N 1.655 122.177 120.500 0.036 0.000 2.604 38 R HA 0.390 4.720 4.340 -0.017 0.000 0.281 38 R C -0.517 175.798 176.300 0.026 0.000 1.020 38 R CA -1.065 55.031 56.100 -0.006 0.000 0.899 38 R CB 1.072 31.381 30.300 0.016 0.000 1.205 38 R HN 0.416 nan 8.270 nan 0.000 0.450 39 I N 2.172 122.720 120.570 -0.036 0.000 2.322 39 I HA 0.151 4.311 4.170 -0.017 0.000 0.292 39 I C 1.360 177.483 176.117 0.010 0.000 1.060 39 I CA 0.286 61.589 61.300 0.005 0.000 1.309 39 I CB 1.378 39.355 38.000 -0.038 0.000 1.415 39 I HN 0.789 nan 8.210 nan 0.000 0.492 40 A N 6.018 128.905 122.820 0.112 0.000 2.081 40 A HA 0.095 4.405 4.320 -0.017 0.000 0.214 40 A C 0.332 178.036 177.584 0.200 0.000 1.158 40 A CA 0.790 52.906 52.037 0.131 0.000 0.724 40 A CB 0.011 19.122 19.000 0.186 0.000 0.826 40 A HN 0.615 nan 8.150 nan 0.000 0.463 41 Y N -1.947 118.375 120.300 0.038 0.000 2.474 41 Y HA 0.558 5.098 4.550 -0.017 0.000 0.326 41 Y C -1.832 173.961 175.900 -0.178 0.000 1.160 41 Y CA -1.178 56.851 58.100 -0.118 0.000 1.056 41 Y CB 1.179 39.465 38.460 -0.289 0.000 1.330 41 Y HN 0.156 nan 8.280 nan 0.000 0.447 42 L N 5.418 125.933 121.223 -1.180 0.000 2.543 42 L HA 0.962 5.292 4.340 -0.017 0.000 0.265 42 L C -1.275 175.039 176.870 -0.927 0.000 0.945 42 L CA -0.214 54.139 54.840 -0.811 0.000 0.869 42 L CB 1.989 43.871 42.059 -0.296 0.000 1.294 42 L HN 0.948 nan 8.230 nan 0.000 0.405 43 G N 2.827 111.247 108.800 -0.633 0.000 2.720 43 G HA2 0.487 4.437 3.960 -0.017 0.000 0.295 43 G HA3 0.487 4.437 3.960 -0.017 0.000 0.295 43 G C -1.931 172.772 174.900 -0.328 0.000 1.437 43 G CA -0.551 44.336 45.100 -0.355 0.000 0.886 43 G HN 0.494 nan 8.290 nan 0.000 0.509 44 V N 1.391 120.970 119.914 -0.558 0.000 2.732 44 V HA 0.596 4.705 4.120 -0.017 0.000 0.297 44 V C 0.116 175.947 176.094 -0.437 0.000 1.060 44 V CA -0.499 61.216 62.300 -0.974 0.000 1.038 44 V CB 0.880 32.097 31.823 -1.009 0.000 1.003 44 V HN 0.559 nan 8.190 nan 0.000 0.481 45 L N 5.048 126.046 121.223 -0.376 0.000 2.343 45 L HA 0.496 4.826 4.340 -0.017 0.000 0.275 45 L C -0.108 176.639 176.870 -0.205 0.000 1.056 45 L CA -0.866 53.859 54.840 -0.193 0.000 0.804 45 L CB 1.234 43.219 42.059 -0.123 0.000 1.203 45 L HN 0.584 nan 8.230 nan 0.000 0.440 46 D N 2.680 123.005 120.400 -0.126 0.000 2.362 46 D HA 0.187 4.817 4.640 -0.017 0.000 0.242 46 D C -1.984 174.209 176.300 -0.178 0.000 1.132 46 D CA -0.805 53.105 54.000 -0.150 0.000 0.907 46 D CB 0.341 41.162 40.800 0.035 0.000 1.195 46 D HN 0.303 nan 8.370 nan 0.000 0.429 47 P HA 0.131 nan 4.420 nan 0.000 0.269 47 P C -0.724 176.521 177.300 -0.092 0.000 1.215 47 P CA -0.370 62.593 63.100 -0.228 0.000 0.780 47 P CB 0.527 32.015 31.700 -0.353 0.000 0.898 48 A N 3.626 126.408 122.820 -0.063 0.000 2.406 48 A HA 0.171 4.480 4.320 -0.017 0.000 0.243 48 A C 0.740 178.307 177.584 -0.028 0.000 1.082 48 A CA -0.345 51.678 52.037 -0.024 0.000 0.786 48 A CB -0.010 18.979 19.000 -0.019 0.000 1.029 48 A HN 0.438 nan 8.150 nan 0.000 0.495 49 R N 0.286 120.758 120.500 -0.047 0.000 2.640 49 R HA 0.326 4.656 4.340 -0.017 0.000 0.270 49 R C 0.813 177.087 176.300 -0.043 0.000 1.024 49 R CA 1.349 57.386 56.100 -0.105 0.000 1.085 49 R CB -0.569 29.606 30.300 -0.208 0.000 0.963 49 R HN 1.875 nan 8.270 nan 0.000 0.426 50 G N 1.118 109.913 108.800 -0.008 0.000 3.450 50 G HA2 -0.141 3.809 3.960 -0.017 0.000 0.668 50 G HA3 -0.141 3.809 3.960 -0.017 0.000 0.668 50 G C 0.172 175.084 174.900 0.019 0.000 0.941 50 G CA -0.175 44.936 45.100 0.018 0.000 0.766 50 G HN 0.771 nan 8.290 nan 0.000 0.451 51 A N 2.174 125.014 122.820 0.034 0.000 2.810 51 A HA 0.586 4.896 4.320 -0.017 0.000 0.247 51 A C 2.049 179.640 177.584 0.011 0.000 1.576 51 A CA 1.333 53.383 52.037 0.021 0.000 1.294 51 A CB -0.480 18.541 19.000 0.034 0.000 0.976 51 A HN 2.135 nan 8.150 nan 0.000 0.631 52 G N -0.358 108.446 108.800 0.006 0.000 2.484 52 G HA2 0.015 3.965 3.960 -0.017 0.000 0.218 52 G HA3 0.015 3.965 3.960 -0.017 0.000 0.218 52 G C 0.810 175.709 174.900 -0.002 0.000 1.130 52 G CA 0.461 45.563 45.100 0.003 0.000 0.784 52 G HN 0.517 nan 8.290 nan 0.000 0.543 53 S N 0.609 116.305 115.700 -0.008 0.000 2.546 53 S HA 0.065 4.525 4.470 -0.017 0.000 0.290 53 S C 1.260 175.854 174.600 -0.011 0.000 1.262 53 S CA -0.061 58.131 58.200 -0.013 0.000 1.083 53 S CB 1.546 64.732 63.200 -0.024 0.000 0.859 53 S HN 0.589 nan 8.310 nan 0.000 0.495 54 E N 2.821 123.016 120.200 -0.008 0.000 2.070 54 E HA -0.166 4.174 4.350 -0.017 0.000 0.197 54 E C 0.779 177.373 176.600 -0.010 0.000 1.004 54 E CA 1.312 57.709 56.400 -0.007 0.000 0.805 54 E CB 0.100 29.797 29.700 -0.005 0.000 0.744 54 E HN 0.765 nan 8.360 nan 0.000 0.451 55 A N 0.313 123.125 122.820 -0.014 0.000 2.464 55 A HA 0.442 4.752 4.320 -0.017 0.000 0.268 55 A C -1.074 176.493 177.584 -0.028 0.000 1.244 55 A CA -0.492 51.534 52.037 -0.017 0.000 0.871 55 A CB 0.936 19.927 19.000 -0.014 0.000 1.400 55 A HN 0.251 nan 8.150 nan 0.000 0.455 56 E N -0.017 120.163 120.200 -0.034 0.000 2.249 56 E HA 0.495 4.835 4.350 -0.017 0.000 0.280 56 E C -1.345 175.230 176.600 -0.043 0.000 1.016 56 E CA -0.294 56.074 56.400 -0.053 0.000 0.830 56 E CB 1.339 31.001 29.700 -0.063 0.000 1.081 56 E HN 0.376 nan 8.360 nan 0.000 0.395 57 D N 2.570 122.938 120.400 -0.053 0.000 2.408 57 D HA 0.154 4.784 4.640 -0.017 0.000 0.261 57 D C -0.867 175.410 176.300 -0.038 0.000 1.190 57 D CA -0.726 53.254 54.000 -0.033 0.000 0.910 57 D CB 0.466 41.250 40.800 -0.027 0.000 1.097 57 D HN 0.259 nan 8.370 nan 0.000 0.522 58 R N 3.384 123.880 120.500 -0.007 0.000 2.343 58 R HA 0.321 4.651 4.340 -0.017 0.000 0.326 58 R C 0.187 176.549 176.300 0.103 0.000 1.055 58 R CA -0.055 56.057 56.100 0.020 0.000 0.961 58 R CB 0.475 30.840 30.300 0.108 0.000 0.978 58 R HN 0.410 nan 8.270 nan 0.000 0.443 59 R N 2.431 122.941 120.500 0.016 0.000 2.589 59 R HA 0.477 4.807 4.340 -0.017 0.000 0.293 59 R C -0.713 175.601 176.300 0.024 0.000 0.963 59 R CA -0.639 55.512 56.100 0.085 0.000 0.905 59 R CB 1.396 31.703 30.300 0.011 0.000 1.144 59 R HN 0.248 nan 8.270 nan 0.000 0.459 60 F N 0.721 120.648 119.950 -0.039 0.000 2.532 60 F HA 0.478 4.994 4.527 -0.017 0.000 0.321 60 F C 0.323 176.105 175.800 -0.030 0.000 1.089 60 F CA -0.842 57.128 58.000 -0.050 0.000 0.926 60 F CB 1.847 40.806 39.000 -0.069 0.000 1.168 60 F HN 0.198 nan 8.300 nan 0.000 0.459 61 R N 1.937 122.499 120.500 0.103 0.000 2.460 61 R HA 0.864 5.194 4.340 -0.017 0.000 0.303 61 R C -1.923 174.404 176.300 0.044 0.000 0.968 61 R CA -0.519 55.641 56.100 0.100 0.000 0.889 61 R CB 1.472 31.836 30.300 0.107 0.000 1.123 61 R HN 0.550 nan 8.270 nan 0.000 0.455 62 V N 4.394 124.365 119.914 0.095 0.000 2.841 62 V HA 0.510 4.620 4.120 -0.017 0.000 0.310 62 V C -1.157 175.132 176.094 0.325 0.000 1.090 62 V CA -0.855 61.490 62.300 0.076 0.000 0.930 62 V CB 1.952 33.818 31.823 0.070 0.000 1.014 62 V HN 0.566 nan 8.190 nan 0.000 0.425 63 F N 4.271 124.372 119.950 0.251 0.000 2.388 63 F HA 0.607 5.124 4.527 -0.017 0.000 0.358 63 F C -0.064 175.825 175.800 0.148 0.000 1.122 63 F CA -1.730 56.413 58.000 0.237 0.000 1.056 63 F CB 1.428 40.613 39.000 0.309 0.000 1.155 63 F HN 0.146 nan 8.300 nan 0.000 0.461 64 I N 3.784 124.528 120.570 0.291 0.000 2.330 64 I HA 0.176 4.335 4.170 -0.017 0.000 0.289 64 I C 0.042 176.248 176.117 0.148 0.000 1.001 64 I CA -0.575 60.829 61.300 0.173 0.000 1.193 64 I CB 0.840 38.905 38.000 0.109 0.000 1.345 64 I HN 0.556 nan 8.210 nan 0.000 0.461 65 H N 5.752 124.846 119.070 0.040 0.000 2.483 65 H HA 0.423 4.969 4.556 -0.017 0.000 0.338 65 H C -1.029 174.298 175.328 -0.001 0.000 1.152 65 H CA -0.211 55.838 56.048 0.003 0.000 1.264 65 H CB 1.286 31.045 29.762 -0.006 0.000 1.510 65 H HN 0.537 nan 8.280 nan 0.000 0.530 66 D N 3.889 123.821 120.400 -0.779 0.000 2.549 66 D HA 0.083 4.713 4.640 -0.017 0.000 0.251 66 D C 0.990 176.857 176.300 -0.722 0.000 1.153 66 D CA -0.496 53.187 54.000 -0.529 0.000 0.861 66 D CB 1.548 42.195 40.800 -0.256 0.000 1.207 66 D HN 0.484 nan 8.370 nan 0.000 0.543 67 V N 2.151 121.820 119.914 -0.408 0.000 3.305 67 V HA -0.067 4.043 4.120 -0.017 0.000 0.269 67 V C 1.600 177.642 176.094 -0.086 0.000 1.157 67 V CA 1.676 63.875 62.300 -0.168 0.000 1.157 67 V CB -0.714 31.103 31.823 -0.010 0.000 0.772 67 V HN 0.491 nan 8.190 nan 0.000 0.498 68 S N -0.365 115.272 115.700 -0.104 0.000 2.548 68 S HA 0.451 4.911 4.470 -0.017 0.000 0.215 68 S C 1.682 176.250 174.600 -0.053 0.000 0.976 68 S CA 0.746 58.912 58.200 -0.056 0.000 0.908 68 S CB 0.399 63.570 63.200 -0.047 0.000 0.781 68 S HN 1.692 nan 8.310 nan 0.000 0.519 69 G N 0.457 109.210 108.800 -0.079 0.000 2.184 69 G HA2 0.012 3.962 3.960 -0.017 0.000 0.206 69 G HA3 0.012 3.962 3.960 -0.017 0.000 0.206 69 G C 0.256 175.121 174.900 -0.059 0.000 0.995 69 G CA -0.177 44.893 45.100 -0.050 0.000 0.651 69 G HN 1.116 nan 8.290 nan 0.000 0.511 70 A N 0.290 123.062 122.820 -0.081 0.000 2.346 70 A HA 0.720 5.030 4.320 -0.017 0.000 0.252 70 A C 0.854 178.392 177.584 -0.076 0.000 1.089 70 A CA 0.015 52.010 52.037 -0.070 0.000 0.797 70 A CB 0.263 19.222 19.000 -0.068 0.000 1.047 70 A HN 0.506 nan 8.150 nan 0.000 0.494 71 R N 1.165 121.627 120.500 -0.064 0.000 2.623 71 R HA 0.208 4.538 4.340 -0.017 0.000 0.271 71 R C -2.100 174.157 176.300 -0.072 0.000 1.043 71 R CA -0.903 55.155 56.100 -0.070 0.000 1.083 71 R CB 0.120 30.379 30.300 -0.069 0.000 0.974 71 R HN 0.600 nan 8.270 nan 0.000 0.436 72 P HA 0.073 nan 4.420 nan 0.000 0.277 72 P C -1.110 176.151 177.300 -0.065 0.000 1.271 72 P CA -0.313 62.755 63.100 -0.053 0.000 0.795 72 P CB 0.915 32.591 31.700 -0.041 0.000 1.101 73 Q N -1.034 118.759 119.800 -0.011 0.000 2.416 73 Q HA 0.365 4.695 4.340 -0.017 0.000 0.281 73 Q C -0.971 175.095 176.000 0.109 0.000 1.067 73 Q CA -0.702 55.109 55.803 0.013 0.000 0.809 73 Q CB 2.587 31.343 28.738 0.029 0.000 1.418 73 Q HN 0.447 nan 8.270 nan 0.000 0.411 74 E N 1.572 121.854 120.200 0.136 0.000 2.151 74 E HA 0.502 4.842 4.350 -0.017 0.000 0.275 74 E C -1.470 175.269 176.600 0.232 0.000 0.936 74 E CA -0.520 56.065 56.400 0.308 0.000 0.777 74 E CB 1.362 31.261 29.700 0.331 0.000 1.108 74 E HN 0.313 nan 8.360 nan 0.000 0.401 75 V N 3.305 123.369 119.914 0.250 0.000 2.789 75 V HA 0.397 4.507 4.120 -0.017 0.000 0.311 75 V C -0.380 175.804 176.094 0.150 0.000 1.073 75 V CA -0.782 61.614 62.300 0.160 0.000 0.921 75 V CB 2.317 34.212 31.823 0.119 0.000 1.009 75 V HN 0.716 nan 8.190 nan 0.000 0.426 76 T N 3.681 118.303 114.554 0.113 0.000 2.824 76 T HA 0.690 5.030 4.350 -0.017 0.000 0.282 76 T C -0.543 174.207 174.700 0.083 0.000 0.993 76 T CA -0.443 61.718 62.100 0.102 0.000 0.967 76 T CB 1.568 70.486 68.868 0.083 0.000 0.960 76 T HN 0.836 nan 8.240 nan 0.000 0.441 77 V N 0.630 120.601 119.914 0.096 0.000 2.914 77 V HA 0.897 5.006 4.120 -0.017 0.000 0.314 77 V C -0.221 175.929 176.094 0.093 0.000 1.084 77 V CA -0.917 61.426 62.300 0.072 0.000 0.963 77 V CB 2.161 34.010 31.823 0.043 0.000 1.025 77 V HN 0.757 nan 8.190 nan 0.000 0.432 78 S N 2.086 117.821 115.700 0.058 0.000 2.423 78 S HA 0.381 4.841 4.470 -0.017 0.000 0.317 78 S C 0.832 175.456 174.600 0.040 0.000 1.065 78 S CA -0.050 58.186 58.200 0.061 0.000 1.111 78 S CB 0.818 64.037 63.200 0.032 0.000 0.968 78 S HN 1.887 nan 8.310 nan 0.000 0.474 79 V N 3.833 123.782 119.914 0.059 0.000 2.667 79 V HA -0.014 4.096 4.120 -0.017 0.000 0.252 79 V C 1.948 178.042 176.094 -0.001 0.000 1.065 79 V CA 1.958 64.249 62.300 -0.015 0.000 1.083 79 V CB -1.685 30.087 31.823 -0.084 0.000 0.692 79 V HN 0.773 nan 8.190 nan 0.000 0.468 80 T N 1.752 116.321 114.554 0.025 0.000 2.674 80 T HA -0.110 4.230 4.350 -0.017 0.000 0.265 80 T C 1.697 176.398 174.700 0.002 0.000 1.039 80 T CA 2.122 64.229 62.100 0.012 0.000 1.150 80 T CB -0.439 68.437 68.868 0.012 0.000 0.864 80 T HN 0.582 nan 8.240 nan 0.000 0.427 81 N N 0.362 119.065 118.700 0.004 0.000 2.353 81 N HA 0.151 4.881 4.740 -0.017 0.000 0.185 81 N C 1.251 176.758 175.510 -0.004 0.000 1.098 81 N CA 0.605 53.655 53.050 -0.000 0.000 0.872 81 N CB 0.360 38.849 38.487 0.002 0.000 0.970 81 N HN 0.532 nan 8.380 nan 0.000 0.467 82 G N 1.777 110.573 108.800 -0.007 0.000 2.295 82 G HA2 -0.266 3.683 3.960 -0.017 0.000 0.287 82 G HA3 -0.266 3.683 3.960 -0.017 0.000 0.287 82 G C 0.149 175.045 174.900 -0.007 0.000 1.055 82 G CA 1.006 46.097 45.100 -0.014 0.000 0.922 82 G HN 0.499 nan 8.290 nan 0.000 0.503 83 T N -3.825 110.729 114.554 0.000 0.000 2.916 83 T HA 0.707 5.047 4.350 -0.017 0.000 0.292 83 T C -0.349 174.359 174.700 0.012 0.000 1.064 83 T CA -0.676 61.427 62.100 0.005 0.000 1.011 83 T CB 2.792 71.664 68.868 0.007 0.000 1.152 83 T HN 0.746 nan 8.240 nan 0.000 0.510 84 V N 3.302 123.225 119.914 0.015 0.000 2.333 84 V HA 0.213 4.322 4.120 -0.017 0.000 0.274 84 V C 1.091 177.200 176.094 0.026 0.000 1.028 84 V CA -0.718 61.596 62.300 0.023 0.000 0.851 84 V CB 0.480 32.316 31.823 0.022 0.000 1.000 84 V HN 0.811 nan 8.190 nan 0.000 0.456 85 I N 3.276 123.866 120.570 0.033 0.000 2.202 85 I HA -0.020 4.140 4.170 -0.017 0.000 0.242 85 I C 1.087 177.223 176.117 0.032 0.000 1.091 85 I CA 1.301 62.620 61.300 0.030 0.000 1.368 85 I CB -0.443 37.578 38.000 0.034 0.000 1.058 85 I HN 0.780 nan 8.210 nan 0.000 0.410 86 S N -0.560 115.165 115.700 0.043 0.000 2.547 86 S HA 0.809 5.268 4.470 -0.017 0.000 0.270 86 S C -0.895 173.739 174.600 0.057 0.000 1.150 86 S CA -0.554 57.672 58.200 0.045 0.000 0.850 86 S CB 2.597 65.825 63.200 0.048 0.000 1.118 86 S HN 0.320 nan 8.310 nan 0.000 0.461 87 A N 1.195 124.044 122.820 0.049 0.000 2.497 87 A HA 0.724 5.034 4.320 -0.017 0.000 0.280 87 A C -0.614 176.994 177.584 0.041 0.000 1.065 87 A CA -0.443 51.626 52.037 0.054 0.000 0.781 87 A CB 0.904 19.929 19.000 0.042 0.000 1.289 87 A HN 2.113 nan 8.150 nan 0.000 0.415 88 V N 0.032 119.975 119.914 0.047 0.000 2.656 88 V HA 0.732 4.842 4.120 -0.017 0.000 0.307 88 V C -0.209 175.886 176.094 0.001 0.000 1.051 88 V CA -0.756 61.558 62.300 0.023 0.000 0.893 88 V CB 1.583 33.423 31.823 0.028 0.000 0.999 88 V HN 0.929 nan 8.190 nan 0.000 0.426 89 E N 3.275 123.463 120.200 -0.020 0.000 2.338 89 E HA 0.501 4.841 4.350 -0.017 0.000 0.272 89 E C -1.112 175.438 176.600 -0.083 0.000 1.029 89 E CA -0.549 55.824 56.400 -0.046 0.000 0.872 89 E CB 1.143 30.819 29.700 -0.040 0.000 1.015 89 E HN 0.768 nan 8.360 nan 0.000 0.417 90 L N 3.480 124.621 121.223 -0.137 0.000 2.322 90 L HA 0.283 4.613 4.340 -0.017 0.000 0.279 90 L C -0.068 176.684 176.870 -0.197 0.000 1.036 90 L CA -0.736 53.970 54.840 -0.223 0.000 0.807 90 L CB 1.343 43.152 42.059 -0.416 0.000 1.226 90 L HN 0.523 nan 8.230 nan 0.000 0.433 91 D N 1.072 121.360 120.400 -0.188 0.000 2.485 91 D HA 0.071 4.700 4.640 -0.017 0.000 0.221 91 D C 1.268 177.458 176.300 -0.183 0.000 1.112 91 D CA -0.297 53.617 54.000 -0.143 0.000 0.911 91 D CB 1.205 41.947 40.800 -0.096 0.000 1.019 91 D HN 0.679 nan 8.370 nan 0.000 0.516 92 T N 0.668 115.100 114.554 -0.203 0.000 2.803 92 T HA -0.186 4.153 4.350 -0.017 0.000 0.269 92 T C 1.876 176.496 174.700 -0.133 0.000 1.052 92 T CA 1.110 63.076 62.100 -0.223 0.000 1.136 92 T CB -0.151 68.602 68.868 -0.192 0.000 0.864 92 T HN 0.250 nan 8.240 nan 0.000 0.467 93 A N 1.348 124.116 122.820 -0.086 0.000 2.019 93 A HA 0.374 4.684 4.320 -0.017 0.000 0.219 93 A C 2.651 180.223 177.584 -0.020 0.000 1.164 93 A CA 1.760 53.771 52.037 -0.044 0.000 0.644 93 A CB -1.072 17.906 19.000 -0.036 0.000 0.805 93 A HN 0.793 nan 8.150 nan 0.000 0.449 94 A N -0.915 121.882 122.820 -0.039 0.000 1.881 94 A HA 0.118 4.428 4.320 -0.017 0.000 0.210 94 A C 2.253 179.855 177.584 0.030 0.000 1.239 94 A CA 1.788 53.823 52.037 -0.003 0.000 0.629 94 A CB -0.863 18.122 19.000 -0.025 0.000 0.906 94 A HN 0.672 nan 8.150 nan 0.000 0.460 95 T N -3.350 111.135 114.554 -0.115 0.000 3.081 95 T HA 0.464 4.804 4.350 -0.017 0.000 0.250 95 T C 0.874 175.193 174.700 -0.634 0.000 1.100 95 T CA 0.905 62.844 62.100 -0.268 0.000 1.038 95 T CB -0.131 68.612 68.868 -0.209 0.000 0.962 95 T HN 1.921 nan 8.240 nan 0.000 0.516 96 G N 0.787 109.349 108.800 -0.398 0.000 2.576 96 G HA2 0.097 4.047 3.960 -0.017 0.000 0.686 96 G HA3 0.097 4.047 3.960 -0.017 0.000 0.686 96 G C -1.185 173.535 174.900 -0.301 0.000 1.242 96 G CA -1.065 43.850 45.100 -0.308 0.000 0.819 96 G HN 0.223 nan 8.290 nan 0.000 0.655 97 E N 0.026 120.127 120.200 -0.165 0.000 2.345 97 E HA 0.511 4.850 4.350 -0.017 0.000 0.259 97 E C 1.162 177.681 176.600 -0.135 0.000 1.117 97 E CA -0.505 55.793 56.400 -0.169 0.000 0.913 97 E CB 0.948 30.587 29.700 -0.102 0.000 1.057 97 E HN 0.508 nan 8.360 nan 0.000 0.432 98 L N 1.741 122.884 121.223 -0.134 0.000 2.472 98 L HA 0.204 4.534 4.340 -0.017 0.000 0.260 98 L C -1.917 174.953 176.870 0.000 0.000 1.209 98 L CA -1.751 53.078 54.840 -0.020 0.000 0.817 98 L CB -0.262 41.796 42.059 -0.001 0.000 1.106 98 L HN 0.152 nan 8.230 nan 0.000 0.479 99 P HA -0.019 nan 4.420 nan 0.000 0.268 99 P C -0.647 176.627 177.300 -0.043 0.000 1.208 99 P CA -0.276 62.841 63.100 0.028 0.000 0.777 99 P CB 0.402 32.166 31.700 0.108 0.000 0.875 100 V N 3.185 123.047 119.914 -0.087 0.000 2.673 100 V HA -0.063 4.047 4.120 -0.017 0.000 0.303 100 V C 0.633 176.642 176.094 -0.143 0.000 1.046 100 V CA 0.343 62.571 62.300 -0.121 0.000 1.126 100 V CB -0.281 31.482 31.823 -0.100 0.000 0.934 100 V HN 0.283 nan 8.190 nan 0.000 0.487 101 L N 3.692 124.765 121.223 -0.250 0.000 2.350 101 L HA 0.284 4.614 4.340 -0.017 0.000 0.275 101 L C 1.495 178.032 176.870 -0.556 0.000 1.099 101 L CA 0.449 55.119 54.840 -0.283 0.000 0.808 101 L CB 0.496 42.413 42.059 -0.238 0.000 1.149 101 L HN 0.771 nan 8.230 nan 0.000 0.442 102 E N 1.657 121.594 120.200 -0.439 0.000 2.204 102 E HA -0.236 4.103 4.350 -0.017 0.000 0.195 102 E C 1.330 177.675 176.600 -0.424 0.000 0.990 102 E CA 1.367 57.431 56.400 -0.560 0.000 0.821 102 E CB 0.313 30.026 29.700 0.022 0.000 0.750 102 E HN 0.795 nan 8.360 nan 0.000 0.477 103 E N 0.007 120.059 120.200 -0.246 0.000 2.347 103 E HA -0.163 4.176 4.350 -0.017 0.000 0.196 103 E C 1.286 177.832 176.600 -0.090 0.000 1.008 103 E CA 0.757 57.094 56.400 -0.105 0.000 0.852 103 E CB 0.004 29.665 29.700 -0.065 0.000 0.783 103 E HN 0.360 nan 8.360 nan 0.000 0.505 104 E N -0.098 119.986 120.200 -0.193 0.000 2.385 104 E HA -0.016 4.324 4.350 -0.017 0.000 0.194 104 E C 1.172 177.819 176.600 0.079 0.000 1.013 104 E CA 0.068 56.423 56.400 -0.075 0.000 0.866 104 E CB -0.036 29.599 29.700 -0.108 0.000 0.832 104 E HN 0.221 nan 8.360 nan 0.000 0.500 105 F N 2.320 122.314 119.950 0.074 0.000 2.069 105 F HA -0.211 4.306 4.527 -0.017 0.000 0.298 105 F C 2.441 178.276 175.800 0.057 0.000 1.113 105 F CA 1.556 59.606 58.000 0.082 0.000 1.214 105 F CB -1.061 37.997 39.000 0.098 0.000 0.978 105 F HN 0.129 nan 8.300 nan 0.000 0.474 106 E N 0.122 120.474 120.200 0.254 0.000 2.268 106 E HA -0.106 4.233 4.350 -0.017 0.000 0.195 106 E C 2.022 178.674 176.600 0.088 0.000 0.995 106 E CA 1.243 57.730 56.400 0.145 0.000 0.836 106 E CB -0.717 29.055 29.700 0.120 0.000 0.763 106 E HN 0.254 nan 8.360 nan 0.000 0.491 107 V N 1.543 121.506 119.914 0.082 0.000 2.343 107 V HA -0.257 3.853 4.120 -0.017 0.000 0.247 107 V C 2.486 178.583 176.094 0.006 0.000 1.051 107 V CA 1.517 63.840 62.300 0.039 0.000 1.036 107 V CB -0.278 31.566 31.823 0.034 0.000 0.654 107 V HN 0.215 nan 8.190 nan 0.000 0.451 108 V N -0.008 119.916 119.914 0.017 0.000 2.255 108 V HA -0.342 3.768 4.120 -0.017 0.000 0.247 108 V C 2.438 178.455 176.094 -0.129 0.000 1.051 108 V CA 2.544 64.814 62.300 -0.050 0.000 1.018 108 V CB -0.644 31.176 31.823 -0.006 0.000 0.641 108 V HN 0.665 nan 8.190 nan 0.000 0.445 109 E N -0.295 119.863 120.200 -0.070 0.000 2.051 109 E HA -0.275 4.065 4.350 -0.017 0.000 0.192 109 E C 2.315 178.866 176.600 -0.081 0.000 0.991 109 E CA 1.528 57.877 56.400 -0.085 0.000 0.799 109 E CB -0.102 29.600 29.700 0.003 0.000 0.748 109 E HN 0.692 nan 8.360 nan 0.000 0.449 110 Q N 0.192 119.971 119.800 -0.034 0.000 2.061 110 Q HA -0.188 4.142 4.340 -0.017 0.000 0.204 110 Q C 2.438 178.412 176.000 -0.043 0.000 0.984 110 Q CA 1.654 57.446 55.803 -0.018 0.000 0.846 110 Q CB -0.121 28.621 28.738 0.006 0.000 0.902 110 Q HN 0.371 nan 8.270 nan 0.000 0.421 111 L N 0.095 121.275 121.223 -0.072 0.000 2.056 111 L HA -0.169 4.161 4.340 -0.017 0.000 0.207 111 L C 2.278 179.069 176.870 -0.133 0.000 1.078 111 L CA 0.795 55.587 54.840 -0.081 0.000 0.749 111 L CB -0.357 41.654 42.059 -0.080 0.000 0.901 111 L HN 0.256 nan 8.230 nan 0.000 0.433 112 L N -0.226 120.833 121.223 -0.272 0.000 2.191 112 L HA -0.156 4.174 4.340 -0.017 0.000 0.212 112 L C 2.807 179.554 176.870 -0.204 0.000 1.103 112 L CA 0.825 55.373 54.840 -0.487 0.000 0.769 112 L CB -0.698 40.612 42.059 -1.248 0.000 0.908 112 L HN 0.233 nan 8.230 nan 0.000 0.438 113 A N -0.147 122.631 122.820 -0.071 0.000 2.076 113 A HA -0.188 4.121 4.320 -0.017 0.000 0.220 113 A C 2.096 179.740 177.584 0.100 0.000 1.160 113 A CA 2.111 54.201 52.037 0.088 0.000 0.653 113 A CB -0.682 18.353 19.000 0.057 0.000 0.801 113 A HN 0.513 nan 8.150 nan 0.000 0.455 114 T N -3.590 110.996 114.554 0.054 0.000 3.132 114 T HA 0.189 4.528 4.350 -0.017 0.000 0.274 114 T C -0.009 174.725 174.700 0.058 0.000 1.011 114 T CA -0.024 62.108 62.100 0.054 0.000 0.899 114 T CB -0.099 68.787 68.868 0.030 0.000 1.089 114 T HN 0.336 nan 8.240 nan 0.000 0.543 115 D N 1.493 121.942 120.400 0.081 0.000 2.277 115 D HA 0.136 4.766 4.640 -0.017 0.000 0.249 115 D C 0.683 177.057 176.300 0.124 0.000 1.134 115 D CA -0.127 53.925 54.000 0.086 0.000 0.863 115 D CB 1.456 42.300 40.800 0.072 0.000 1.143 115 D HN 0.315 nan 8.370 nan 0.000 0.458 116 E N 2.904 123.150 120.200 0.077 0.000 2.070 116 E HA -0.231 4.109 4.350 -0.017 0.000 0.197 116 E C 1.901 178.542 176.600 0.069 0.000 1.004 116 E CA 1.234 57.671 56.400 0.062 0.000 0.805 116 E CB 0.230 29.952 29.700 0.037 0.000 0.744 116 E HN 0.476 nan 8.360 nan 0.000 0.451 117 R N 0.106 120.654 120.500 0.080 0.000 2.081 117 R HA -0.127 4.203 4.340 -0.017 0.000 0.235 117 R C 2.244 178.612 176.300 0.113 0.000 1.131 117 R CA 1.438 57.582 56.100 0.073 0.000 0.960 117 R CB -0.382 29.957 30.300 0.066 0.000 0.856 117 R HN 0.419 nan 8.270 nan 0.000 0.436 118 W N 1.520 122.800 121.300 -0.033 0.000 2.379 118 W HA -0.144 4.506 4.660 -0.017 0.000 0.307 118 W C 1.488 177.994 176.519 -0.022 0.000 1.200 118 W CA 1.256 58.583 57.345 -0.031 0.000 1.297 118 W CB -0.140 29.305 29.460 -0.025 0.000 1.140 118 W HN 0.093 nan 8.180 nan 0.000 0.507 119 L N 0.747 122.043 121.223 0.122 0.000 2.083 119 L HA -0.250 4.080 4.340 -0.017 0.000 0.209 119 L C 2.620 179.451 176.870 -0.065 0.000 1.083 119 L CA 1.663 56.511 54.840 0.013 0.000 0.752 119 L CB -0.892 41.205 42.059 0.065 0.000 0.899 119 L HN -0.075 nan 8.230 nan 0.000 0.433 120 K N 0.355 120.728 120.400 -0.044 0.000 2.097 120 K HA -0.147 4.162 4.320 -0.017 0.000 0.205 120 K C 2.130 178.665 176.600 -0.109 0.000 1.050 120 K CA 1.158 57.410 56.287 -0.059 0.000 0.938 120 K CB -0.006 32.474 32.500 -0.032 0.000 0.718 120 K HN 0.256 nan 8.250 nan 0.000 0.442 121 A N 1.199 123.920 122.820 -0.165 0.000 1.930 121 A HA -0.084 4.226 4.320 -0.017 0.000 0.217 121 A C 2.046 179.464 177.584 -0.278 0.000 1.175 121 A CA 1.061 52.962 52.037 -0.227 0.000 0.627 121 A CB -0.453 18.360 19.000 -0.311 0.000 0.815 121 A HN 0.290 nan 8.150 nan 0.000 0.443 122 L N -0.979 120.035 121.223 -0.349 0.000 2.109 122 L HA -0.124 4.206 4.340 -0.017 0.000 0.207 122 L C 3.063 179.833 176.870 -0.167 0.000 1.086 122 L CA 0.941 55.600 54.840 -0.301 0.000 0.760 122 L CB -0.571 41.295 42.059 -0.322 0.000 0.910 122 L HN 0.428 nan 8.230 nan 0.000 0.437 123 A N 0.242 122.985 122.820 -0.128 0.000 1.933 123 A HA -0.126 4.184 4.320 -0.017 0.000 0.218 123 A C 2.480 180.018 177.584 -0.076 0.000 1.175 123 A CA 1.546 53.535 52.037 -0.081 0.000 0.628 123 A CB -0.563 18.402 19.000 -0.059 0.000 0.814 123 A HN 0.387 nan 8.150 nan 0.000 0.444 124 A N -0.499 122.268 122.820 -0.088 0.000 2.067 124 A HA -0.075 4.235 4.320 -0.017 0.000 0.219 124 A C 2.043 179.583 177.584 -0.073 0.000 1.158 124 A CA 1.297 53.289 52.037 -0.075 0.000 0.661 124 A CB -0.282 18.671 19.000 -0.078 0.000 0.801 124 A HN 0.542 nan 8.150 nan 0.000 0.452 125 R N -0.760 119.686 120.500 -0.089 0.000 2.432 125 R HA 0.122 4.452 4.340 -0.017 0.000 0.260 125 R C -0.304 175.956 176.300 -0.067 0.000 0.935 125 R CA 0.061 56.115 56.100 -0.078 0.000 1.080 125 R CB 0.212 30.452 30.300 -0.099 0.000 1.155 125 R HN 0.427 nan 8.270 nan 0.000 0.531 126 N N 1.089 119.751 118.700 -0.064 0.000 2.735 126 N HA -0.188 4.542 4.740 -0.017 0.000 0.248 126 N C -0.976 174.502 175.510 -0.053 0.000 1.083 126 N CA 0.997 54.016 53.050 -0.051 0.000 0.703 126 N CB -1.299 37.165 38.487 -0.038 0.000 1.005 126 N HN 0.294 nan 8.380 nan 0.000 0.550 127 L N 0.182 121.363 121.223 -0.070 0.000 2.307 127 L HA 0.327 4.657 4.340 -0.017 0.000 0.284 127 L C 0.669 177.508 176.870 -0.052 0.000 1.023 127 L CA -0.854 53.946 54.840 -0.068 0.000 0.810 127 L CB 1.426 43.428 42.059 -0.095 0.000 1.231 127 L HN -0.093 nan 8.230 nan 0.000 0.423 128 D N 2.135 122.516 120.400 -0.031 0.000 2.339 128 D HA -0.002 4.628 4.640 -0.017 0.000 0.256 128 D C 0.805 177.108 176.300 0.005 0.000 1.214 128 D CA 0.083 54.077 54.000 -0.011 0.000 0.877 128 D CB 1.875 42.674 40.800 -0.003 0.000 1.111 128 D HN 0.302 nan 8.370 nan 0.000 0.478 129 V N 4.020 123.947 119.914 0.021 0.000 2.568 129 V HA -0.258 3.851 4.120 -0.017 0.000 0.253 129 V C 2.066 178.205 176.094 0.075 0.000 1.072 129 V CA 2.866 65.206 62.300 0.068 0.000 1.084 129 V CB -0.487 31.395 31.823 0.098 0.000 0.676 129 V HN 0.728 nan 8.190 nan 0.000 0.469 130 S N -0.909 114.820 115.700 0.050 0.000 2.474 130 S HA -0.130 4.330 4.470 -0.017 0.000 0.235 130 S C 1.733 176.355 174.600 0.037 0.000 0.997 130 S CA 1.221 59.448 58.200 0.045 0.000 0.949 130 S CB -0.380 62.840 63.200 0.034 0.000 0.766 130 S HN 0.750 nan 8.310 nan 0.000 0.517 131 K N 0.669 121.087 120.400 0.029 0.000 2.358 131 K HA 0.299 4.609 4.320 -0.017 0.000 0.197 131 K C -0.688 175.923 176.600 0.018 0.000 1.025 131 K CA -0.065 56.230 56.287 0.013 0.000 1.104 131 K CB 0.891 33.389 32.500 -0.003 0.000 0.855 131 K HN 0.204 nan 8.250 nan 0.000 0.531 132 V N 3.552 123.498 119.914 0.053 0.000 2.368 132 V HA 0.171 4.281 4.120 -0.017 0.000 0.266 132 V C 0.239 176.403 176.094 0.117 0.000 1.045 132 V CA -0.644 61.709 62.300 0.088 0.000 0.899 132 V CB 0.579 32.481 31.823 0.132 0.000 1.006 132 V HN 0.161 nan 8.190 nan 0.000 0.470 133 R N 3.374 123.924 120.500 0.083 0.000 2.459 133 R HA 0.603 4.933 4.340 -0.017 0.000 0.281 133 R C -0.769 175.620 176.300 0.148 0.000 1.050 133 R CA -0.457 55.680 56.100 0.063 0.000 1.055 133 R CB 1.763 32.033 30.300 -0.050 0.000 1.045 133 R HN 0.441 nan 8.270 nan 0.000 0.495 134 V N 1.837 121.826 119.914 0.125 0.000 2.483 134 V HA 0.377 4.486 4.120 -0.017 0.000 0.297 134 V C 0.022 176.209 176.094 0.156 0.000 1.027 134 V CA -1.199 61.203 62.300 0.170 0.000 0.855 134 V CB 1.669 33.529 31.823 0.061 0.000 0.995 134 V HN 0.861 nan 8.190 nan 0.000 0.424 135 A N 7.599 130.580 122.820 0.268 0.000 2.409 135 A HA 0.616 4.925 4.320 -0.017 0.000 0.267 135 A C -2.141 175.578 177.584 0.224 0.000 1.127 135 A CA -1.232 50.955 52.037 0.249 0.000 0.795 135 A CB 0.147 19.422 19.000 0.458 0.000 1.061 135 A HN 0.603 nan 8.150 nan 0.000 0.502 136 P HA 0.316 nan 4.420 nan 0.000 0.274 136 P C -0.999 176.442 177.300 0.235 0.000 1.470 136 P CA 0.177 63.389 63.100 0.186 0.000 1.001 136 P CB 0.216 32.060 31.700 0.239 0.000 1.332 137 L N 2.468 123.873 121.223 0.303 0.000 2.309 137 L HA 0.383 4.713 4.340 -0.017 0.000 0.282 137 L C 1.147 178.293 176.870 0.461 0.000 1.036 137 L CA -0.889 54.206 54.840 0.427 0.000 0.806 137 L CB 1.322 43.785 42.059 0.674 0.000 1.220 137 L HN 0.265 nan 8.230 nan 0.000 0.429 138 S N 1.097 117.134 115.700 0.561 0.000 2.558 138 S HA 0.152 4.612 4.470 -0.017 0.000 0.288 138 S C 0.936 175.780 174.600 0.408 0.000 1.318 138 S CA -0.078 58.353 58.200 0.386 0.000 1.056 138 S CB 1.308 64.752 63.200 0.407 0.000 0.853 138 S HN 0.755 nan 8.310 nan 0.000 0.505 139 A N 3.300 126.239 122.820 0.198 0.000 1.984 139 A HA 0.554 4.864 4.320 -0.017 0.000 0.214 139 A C 1.570 179.327 177.584 0.288 0.000 1.173 139 A CA 0.675 52.770 52.037 0.098 0.000 0.673 139 A CB -1.479 17.479 19.000 -0.069 0.000 0.830 139 A HN 2.333 nan 8.150 nan 0.000 0.453 140 G N -1.732 107.222 108.800 0.257 0.000 2.645 140 G HA2 -0.056 3.893 3.960 -0.017 0.000 0.239 140 G HA3 -0.056 3.893 3.960 -0.017 0.000 0.239 140 G C -0.396 174.514 174.900 0.015 0.000 1.331 140 G CA -0.215 45.009 45.100 0.207 0.000 0.890 140 G HN 1.125 nan 8.290 nan 0.000 0.572 141 V N 0.790 120.499 119.914 -0.341 0.000 2.525 141 V HA 0.783 4.893 4.120 -0.017 0.000 0.299 141 V C -0.197 175.378 176.094 -0.865 0.000 1.034 141 V CA -0.326 61.744 62.300 -0.384 0.000 0.863 141 V CB 1.199 32.847 31.823 -0.292 0.000 0.999 141 V HN 0.737 nan 8.190 nan 0.000 0.423 142 F N 1.523 121.463 119.950 -0.016 0.000 3.430 142 F HA 0.434 4.951 4.527 -0.017 0.000 0.299 142 F C 1.411 177.089 175.800 -0.202 0.000 1.472 142 F CA -0.613 57.331 58.000 -0.094 0.000 1.004 142 F CB 0.437 39.387 39.000 -0.084 0.000 1.708 142 F HN 0.453 nan 8.300 nan 0.000 0.435 143 E N 0.672 120.749 120.200 -0.204 0.000 2.437 143 E HA -0.019 4.321 4.350 -0.017 0.000 0.189 143 E C -1.102 175.305 176.600 -0.320 0.000 1.054 143 E CA 0.256 56.486 56.400 -0.283 0.000 0.874 143 E CB -0.692 28.852 29.700 -0.259 0.000 1.011 143 E HN 0.511 nan 8.360 nan 0.000 0.474 144 Y N 1.038 121.389 120.300 0.085 0.000 2.650 144 Y HA 0.450 4.990 4.550 -0.017 0.000 0.343 144 Y C 1.564 177.482 175.900 0.030 0.000 1.078 144 Y CA -0.250 57.886 58.100 0.058 0.000 1.356 144 Y CB 0.763 39.250 38.460 0.045 0.000 1.204 144 Y HN 0.087 nan 8.280 nan 0.000 0.508 145 A N 2.255 125.148 122.820 0.121 0.000 1.986 145 A HA -0.225 4.085 4.320 -0.017 0.000 0.220 145 A C 2.178 179.805 177.584 0.071 0.000 1.171 145 A CA 1.870 53.949 52.037 0.069 0.000 0.640 145 A CB -0.274 18.754 19.000 0.046 0.000 0.811 145 A HN 0.735 nan 8.150 nan 0.000 0.451 146 E N 0.633 120.890 120.200 0.095 0.000 2.409 146 E HA -0.184 4.156 4.350 -0.017 0.000 0.198 146 E C 1.110 177.742 176.600 0.052 0.000 1.024 146 E CA 1.323 57.763 56.400 0.066 0.000 0.861 146 E CB -0.428 29.313 29.700 0.069 0.000 0.788 146 E HN 0.774 nan 8.360 nan 0.000 0.521 147 E N 0.686 120.927 120.200 0.068 0.000 2.385 147 E HA 0.050 4.390 4.350 -0.017 0.000 0.194 147 E C 0.146 176.756 176.600 0.017 0.000 1.013 147 E CA -0.178 56.244 56.400 0.037 0.000 0.866 147 E CB 0.125 29.853 29.700 0.047 0.000 0.832 147 E HN 0.180 nan 8.360 nan 0.000 0.500 148 R N 0.400 120.911 120.500 0.018 0.000 2.404 148 R HA 0.155 4.484 4.340 -0.017 0.000 0.315 148 R C 0.828 177.123 176.300 -0.008 0.000 1.032 148 R CA 0.706 56.806 56.100 0.001 0.000 0.992 148 R CB 0.312 30.611 30.300 -0.001 0.000 0.959 148 R HN 0.248 nan 8.270 nan 0.000 0.428 149 G N 2.601 111.388 108.800 -0.020 0.000 2.175 149 G HA2 -0.291 3.659 3.960 -0.017 0.000 0.244 149 G HA3 -0.291 3.659 3.960 -0.017 0.000 0.244 149 G C 0.077 174.962 174.900 -0.025 0.000 0.982 149 G CA -0.303 44.780 45.100 -0.030 0.000 0.641 149 G HN 0.527 nan 8.290 nan 0.000 0.527 150 R N -0.289 120.201 120.500 -0.018 0.000 2.778 150 R HA 0.678 5.008 4.340 -0.017 0.000 0.277 150 R C -0.035 176.253 176.300 -0.020 0.000 0.977 150 R CA -0.973 55.120 56.100 -0.012 0.000 0.950 150 R CB 1.220 31.517 30.300 -0.005 0.000 1.165 150 R HN 0.122 nan 8.270 nan 0.000 0.474 151 R N 1.906 122.396 120.500 -0.017 0.000 2.220 151 R HA 0.271 4.600 4.340 -0.017 0.000 0.340 151 R C -0.595 175.688 176.300 -0.029 0.000 1.076 151 R CA -0.220 55.860 56.100 -0.034 0.000 0.920 151 R CB 0.213 30.482 30.300 -0.050 0.000 1.062 151 R HN 0.297 nan 8.270 nan 0.000 0.469 152 I N 3.466 124.015 120.570 -0.034 0.000 2.603 152 I HA 0.411 4.570 4.170 -0.017 0.000 0.300 152 I C -0.303 175.793 176.117 -0.035 0.000 1.017 152 I CA -0.469 60.806 61.300 -0.041 0.000 1.098 152 I CB 1.706 39.663 38.000 -0.072 0.000 1.279 152 I HN 0.341 nan 8.210 nan 0.000 0.437 153 L N 5.009 126.216 121.223 -0.026 0.000 2.401 153 L HA 0.623 4.953 4.340 -0.017 0.000 0.266 153 L C -0.508 176.343 176.870 -0.031 0.000 0.991 153 L CA -0.868 53.979 54.840 0.011 0.000 0.818 153 L CB 2.150 44.254 42.059 0.073 0.000 1.321 153 L HN 0.518 nan 8.230 nan 0.000 0.413 154 R N 0.660 121.125 120.500 -0.059 0.000 2.604 154 R HA 0.707 5.037 4.340 -0.017 0.000 0.287 154 R C -0.246 176.101 176.300 0.077 0.000 0.970 154 R CA -0.743 55.290 56.100 -0.113 0.000 0.946 154 R CB 1.994 31.887 30.300 -0.679 0.000 1.127 154 R HN 0.748 nan 8.270 nan 0.000 0.473 155 G N 2.165 111.027 108.800 0.104 0.000 2.513 155 G HA2 0.593 4.543 3.960 -0.017 0.000 0.317 155 G HA3 0.593 4.543 3.960 -0.017 0.000 0.317 155 G C -0.967 174.119 174.900 0.310 0.000 1.277 155 G CA -0.608 44.593 45.100 0.170 0.000 0.955 155 G HN 0.277 nan 8.290 nan 0.000 0.484 156 L N 1.451 122.917 121.223 0.406 0.000 2.365 156 L HA 0.697 5.027 4.340 -0.017 0.000 0.273 156 L C 0.499 177.509 176.870 0.232 0.000 1.000 156 L CA -1.013 54.045 54.840 0.363 0.000 0.819 156 L CB 2.156 44.511 42.059 0.494 0.000 1.284 156 L HN 0.642 nan 8.230 nan 0.000 0.418 157 A N 3.008 125.857 122.820 0.048 0.000 2.304 157 A HA 0.845 5.155 4.320 -0.017 0.000 0.301 157 A C -1.166 176.094 177.584 -0.539 0.000 1.132 157 A CA -0.143 51.888 52.037 -0.009 0.000 0.819 157 A CB 0.484 19.561 19.000 0.128 0.000 1.094 157 A HN 0.511 nan 8.150 nan 0.000 0.492 158 F N 0.660 120.589 119.950 -0.036 0.000 2.574 158 F HA 0.415 4.932 4.527 -0.017 0.000 0.313 158 F C -0.167 175.581 175.800 -0.086 0.000 1.130 158 F CA -0.667 57.263 58.000 -0.118 0.000 0.936 158 F CB 2.226 41.027 39.000 -0.332 0.000 1.219 158 F HN 0.315 nan 8.300 nan 0.000 0.445 159 V N 2.801 122.786 119.914 0.119 0.000 2.498 159 V HA 0.301 4.410 4.120 -0.017 0.000 0.279 159 V C -0.305 175.828 176.094 0.064 0.000 1.048 159 V CA -0.480 61.851 62.300 0.051 0.000 0.967 159 V CB 1.417 33.227 31.823 -0.022 0.000 0.988 159 V HN 0.771 nan 8.190 nan 0.000 0.473 160 Q N 2.847 122.631 119.800 -0.026 0.000 2.381 160 Q HA 0.242 4.572 4.340 -0.017 0.000 0.263 160 Q C 0.076 175.996 176.000 -0.134 0.000 1.030 160 Q CA -0.625 55.119 55.803 -0.099 0.000 0.772 160 Q CB 1.209 29.867 28.738 -0.133 0.000 1.232 160 Q HN 0.767 nan 8.270 nan 0.000 0.476 161 D N 3.491 123.774 120.400 -0.195 0.000 2.218 161 D HA -0.030 4.600 4.640 -0.017 0.000 0.204 161 D C 0.039 176.410 176.300 0.118 0.000 0.976 161 D CA 1.248 55.213 54.000 -0.057 0.000 0.853 161 D CB 0.071 40.899 40.800 0.047 0.000 0.939 161 D HN 0.444 nan 8.370 nan 0.000 0.481 162 F N -4.881 115.064 119.950 -0.008 0.000 2.741 162 F HA 0.355 4.872 4.527 -0.017 0.000 0.311 162 F C -2.475 173.317 175.800 -0.015 0.000 1.149 162 F CA -2.116 55.876 58.000 -0.014 0.000 0.930 162 F CB 0.521 39.508 39.000 -0.022 0.000 1.312 162 F HN -0.415 nan 8.300 nan 0.000 0.450 163 P HA -0.213 nan 4.420 nan 0.000 0.219 163 P C 0.400 177.717 177.300 0.028 0.000 1.158 163 P CA 2.504 65.652 63.100 0.079 0.000 0.895 163 P CB 0.136 31.902 31.700 0.109 0.000 0.792 164 E N -1.553 118.727 120.200 0.133 0.000 2.444 164 E HA 0.052 4.392 4.350 -0.017 0.000 0.191 164 E C 0.027 176.528 176.600 -0.165 0.000 1.041 164 E CA -0.258 56.172 56.400 0.050 0.000 0.883 164 E CB -0.178 29.620 29.700 0.163 0.000 1.024 164 E HN 0.313 nan 8.360 nan 0.000 0.470 165 D N 0.673 120.698 120.400 -0.625 0.000 2.341 165 D HA 0.003 4.633 4.640 -0.017 0.000 0.245 165 D C -0.507 175.572 176.300 -0.369 0.000 1.106 165 D CA -0.006 53.494 54.000 -0.834 0.000 0.905 165 D CB 1.172 41.140 40.800 -1.387 0.000 1.202 165 D HN -0.176 nan 8.370 nan 0.000 0.426 166 S N 2.394 117.947 115.700 -0.245 0.000 2.411 166 S HA 0.404 4.864 4.470 -0.017 0.000 0.304 166 S C 1.104 175.618 174.600 -0.144 0.000 1.098 166 S CA -0.218 57.908 58.200 -0.124 0.000 1.068 166 S CB 0.173 63.349 63.200 -0.040 0.000 1.032 166 S HN 0.515 nan 8.310 nan 0.000 0.511 167 A N 5.004 127.636 122.820 -0.314 0.000 2.024 167 A HA -0.061 4.248 4.320 -0.017 0.000 0.220 167 A C 1.444 178.866 177.584 -0.270 0.000 1.164 167 A CA 1.106 52.962 52.037 -0.302 0.000 0.643 167 A CB -0.784 17.936 19.000 -0.467 0.000 0.806 167 A HN 0.996 nan 8.150 nan 0.000 0.451 168 W N -0.193 121.053 121.300 -0.089 0.000 2.387 168 W HA -0.006 4.644 4.660 -0.017 0.000 0.272 168 W C 2.378 178.997 176.519 0.166 0.000 1.224 168 W CA 0.764 58.059 57.345 -0.082 0.000 1.210 168 W CB -0.188 29.224 29.460 -0.080 0.000 1.125 168 W HN 0.374 nan 8.180 nan 0.000 0.572 169 A N -0.626 122.341 122.820 0.245 0.000 2.167 169 A HA -0.059 4.251 4.320 -0.017 0.000 0.214 169 A C 0.628 178.054 177.584 -0.264 0.000 1.151 169 A CA 0.796 52.874 52.037 0.067 0.000 0.735 169 A CB -0.586 18.366 19.000 -0.079 0.000 0.802 169 A HN 0.337 nan 8.150 nan 0.000 0.467 170 H N -0.121 119.069 119.070 0.200 0.000 2.355 170 H HA 0.249 4.795 4.556 -0.017 0.000 0.232 170 H C -2.898 172.468 175.328 0.063 0.000 1.422 170 H CA -2.341 53.770 56.048 0.104 0.000 1.261 170 H CB -0.348 29.450 29.762 0.060 0.000 1.595 170 H HN 0.360 nan 8.280 nan 0.000 0.529 171 P HA 0.009 nan 4.420 nan 0.000 0.271 171 P C 0.321 177.475 177.300 -0.245 0.000 1.218 171 P CA -0.264 62.686 63.100 -0.251 0.000 0.780 171 P CB 1.963 33.561 31.700 -0.170 0.000 0.901 172 V N 3.551 123.238 119.914 -0.378 0.000 2.259 172 V HA 0.143 4.253 4.120 -0.017 0.000 0.267 172 V C 0.697 176.647 176.094 -0.239 0.000 1.051 172 V CA -0.287 61.874 62.300 -0.233 0.000 0.830 172 V CB 0.183 31.871 31.823 -0.225 0.000 1.080 172 V HN 0.537 nan 8.190 nan 0.000 0.467 173 D N 3.014 123.271 120.400 -0.238 0.000 2.358 173 D HA 0.385 5.015 4.640 -0.017 0.000 0.244 173 D C 1.300 177.491 176.300 -0.181 0.000 1.163 173 D CA 1.411 55.175 54.000 -0.392 0.000 0.945 173 D CB 1.735 41.980 40.800 -0.924 0.000 1.152 173 D HN 0.744 nan 8.370 nan 0.000 0.451 174 G N 0.361 109.052 108.800 -0.182 0.000 2.148 174 G HA2 -0.220 3.730 3.960 -0.017 0.000 0.254 174 G HA3 -0.220 3.730 3.960 -0.017 0.000 0.254 174 G C -0.118 174.821 174.900 0.064 0.000 0.981 174 G CA 0.615 45.797 45.100 0.135 0.000 0.670 174 G HN 0.478 nan 8.290 nan 0.000 0.528 175 L N -0.185 121.042 121.223 0.007 0.000 2.431 175 L HA 0.930 5.260 4.340 -0.017 0.000 0.266 175 L C -0.723 176.216 176.870 0.114 0.000 0.978 175 L CA -1.035 53.810 54.840 0.009 0.000 0.822 175 L CB 2.430 44.415 42.059 -0.124 0.000 1.310 175 L HN 0.708 nan 8.230 nan 0.000 0.409 176 V N 3.790 123.800 119.914 0.160 0.000 3.000 176 V HA 0.969 5.079 4.120 -0.017 0.000 0.300 176 V C -1.498 174.637 176.094 0.068 0.000 1.251 176 V CA 0.359 62.789 62.300 0.218 0.000 0.972 176 V CB 2.054 34.042 31.823 0.275 0.000 1.065 176 V HN 1.257 nan 8.190 nan 0.000 0.431 177 A N 4.851 127.704 122.820 0.055 0.000 2.454 177 A HA 0.977 5.287 4.320 -0.017 0.000 0.302 177 A C -2.083 175.464 177.584 -0.061 0.000 1.079 177 A CA -0.478 51.471 52.037 -0.147 0.000 0.731 177 A CB 1.796 20.719 19.000 -0.129 0.000 1.299 177 A HN 0.906 nan 8.150 nan 0.000 0.413 178 Y N 0.120 120.304 120.300 -0.194 0.000 2.393 178 Y HA 0.638 5.178 4.550 -0.017 0.000 0.341 178 Y C -0.132 175.666 175.900 -0.170 0.000 0.988 178 Y CA -1.662 56.300 58.100 -0.230 0.000 1.078 178 Y CB 1.749 40.028 38.460 -0.302 0.000 1.203 178 Y HN 0.386 nan 8.280 nan 0.000 0.453 179 V N 2.641 122.564 119.914 0.015 0.000 2.709 179 V HA 0.266 4.375 4.120 -0.017 0.000 0.308 179 V C -0.778 175.306 176.094 -0.017 0.000 1.062 179 V CA -1.085 61.200 62.300 -0.024 0.000 0.901 179 V CB 2.384 34.173 31.823 -0.057 0.000 1.003 179 V HN 0.683 nan 8.190 nan 0.000 0.425 180 D N 2.892 123.283 120.400 -0.014 0.000 2.380 180 D HA 0.171 4.801 4.640 -0.017 0.000 0.230 180 D C 0.970 177.268 176.300 -0.004 0.000 1.154 180 D CA -0.191 53.804 54.000 -0.008 0.000 0.859 180 D CB 1.950 42.748 40.800 -0.003 0.000 1.045 180 D HN 0.474 nan 8.370 nan 0.000 0.495 181 V N 2.258 122.171 119.914 -0.002 0.000 3.380 181 V HA -0.053 4.057 4.120 -0.017 0.000 0.268 181 V C 1.486 177.595 176.094 0.025 0.000 1.168 181 V CA 0.464 62.768 62.300 0.005 0.000 1.156 181 V CB -0.235 31.587 31.823 -0.002 0.000 0.785 181 V HN 0.373 nan 8.190 nan 0.000 0.487 182 V N 1.338 121.272 119.914 0.034 0.000 2.581 182 V HA -0.027 4.082 4.120 -0.017 0.000 0.240 182 V C 2.704 178.819 176.094 0.034 0.000 1.054 182 V CA 1.728 64.064 62.300 0.060 0.000 1.076 182 V CB 0.046 31.917 31.823 0.081 0.000 0.748 182 V HN 0.711 nan 8.190 nan 0.000 0.474 183 S N -1.166 114.546 115.700 0.020 0.000 2.562 183 S HA 0.013 4.472 4.470 -0.017 0.000 0.221 183 S C 0.825 175.430 174.600 0.008 0.000 0.975 183 S CA 0.100 58.307 58.200 0.012 0.000 0.918 183 S CB -0.204 63.000 63.200 0.007 0.000 0.772 183 S HN 0.393 nan 8.310 nan 0.000 0.531 184 K N 1.259 121.664 120.400 0.008 0.000 3.239 184 K HA -0.130 4.180 4.320 -0.017 0.000 0.270 184 K C -0.960 175.636 176.600 -0.007 0.000 1.049 184 K CA 0.876 57.164 56.287 0.001 0.000 0.769 184 K CB -2.064 30.440 32.500 0.006 0.000 1.305 184 K HN 0.786 nan 8.250 nan 0.000 0.469 185 E N -0.854 119.339 120.200 -0.011 0.000 2.293 185 E HA 0.422 4.761 4.350 -0.017 0.000 0.270 185 E C -0.691 175.895 176.600 -0.025 0.000 0.879 185 E CA -1.234 55.157 56.400 -0.014 0.000 0.756 185 E CB 2.225 31.922 29.700 -0.006 0.000 1.208 185 E HN -0.051 nan 8.360 nan 0.000 0.428 186 V N 3.014 122.908 119.914 -0.033 0.000 2.372 186 V HA 0.008 4.118 4.120 -0.017 0.000 0.261 186 V C 1.380 177.454 176.094 -0.033 0.000 1.055 186 V CA 0.275 62.545 62.300 -0.049 0.000 0.930 186 V CB 0.466 32.251 31.823 -0.063 0.000 1.031 186 V HN 0.957 nan 8.190 nan 0.000 0.479 187 T N 3.006 117.547 114.554 -0.022 0.000 2.851 187 T HA 0.107 4.447 4.350 -0.017 0.000 0.262 187 T C 0.814 175.488 174.700 -0.043 0.000 1.043 187 T CA 0.565 62.658 62.100 -0.012 0.000 1.140 187 T CB 0.235 69.113 68.868 0.017 0.000 0.872 187 T HN 0.546 nan 8.240 nan 0.000 0.446 188 R N -0.504 119.931 120.500 -0.108 0.000 2.707 188 R HA 0.687 5.017 4.340 -0.017 0.000 0.272 188 R C -2.117 173.996 176.300 -0.312 0.000 1.011 188 R CA -0.799 55.160 56.100 -0.235 0.000 0.893 188 R CB 2.824 32.888 30.300 -0.394 0.000 1.233 188 R HN 0.050 nan 8.270 nan 0.000 0.464 189 V N 3.760 123.541 119.914 -0.222 0.000 2.488 189 V HA 0.431 4.540 4.120 -0.017 0.000 0.293 189 V C -0.536 175.482 176.094 -0.127 0.000 1.027 189 V CA -0.548 61.683 62.300 -0.116 0.000 0.862 189 V CB 1.767 33.618 31.823 0.046 0.000 1.008 189 V HN 0.575 nan 8.190 nan 0.000 0.428 190 I N 4.007 124.479 120.570 -0.162 0.000 2.339 190 I HA 0.483 4.643 4.170 -0.017 0.000 0.290 190 I C -0.743 175.358 176.117 -0.026 0.000 0.994 190 I CA -0.208 61.032 61.300 -0.099 0.000 1.191 190 I CB 1.753 39.676 38.000 -0.127 0.000 1.343 190 I HN 0.485 nan 8.210 nan 0.000 0.458 191 D N 4.668 125.059 120.400 -0.015 0.000 2.462 191 D HA 0.162 4.792 4.640 -0.017 0.000 0.245 191 D C 0.781 177.092 176.300 0.018 0.000 1.122 191 D CA -0.327 53.670 54.000 -0.005 0.000 0.864 191 D CB 1.612 42.392 40.800 -0.033 0.000 1.098 191 D HN 0.638 nan 8.370 nan 0.000 0.541 192 T N 0.456 115.044 114.554 0.056 0.000 3.107 192 T HA 0.483 4.822 4.350 -0.017 0.000 0.249 192 T C 0.851 175.586 174.700 0.058 0.000 1.096 192 T CA 0.274 62.416 62.100 0.070 0.000 1.012 192 T CB 0.109 69.045 68.868 0.114 0.000 0.977 192 T HN 0.578 nan 8.240 nan 0.000 0.527 193 G N 0.242 109.070 108.800 0.046 0.000 2.348 193 G HA2 0.248 4.198 3.960 -0.017 0.000 0.606 193 G HA3 0.248 4.198 3.960 -0.017 0.000 0.606 193 G C -1.108 173.796 174.900 0.005 0.000 1.466 193 G CA -0.513 44.572 45.100 -0.024 0.000 0.950 193 G HN 0.535 nan 8.290 nan 0.000 0.657 194 V N 1.170 121.042 119.914 -0.071 0.000 2.614 194 V HA 0.749 4.859 4.120 -0.017 0.000 0.291 194 V C -0.354 175.675 176.094 -0.108 0.000 1.049 194 V CA -0.125 62.157 62.300 -0.031 0.000 1.038 194 V CB 0.537 32.324 31.823 -0.059 0.000 0.980 194 V HN 0.671 nan 8.190 nan 0.000 0.481 195 F N 5.490 125.404 119.950 -0.061 0.000 2.546 195 F HA 0.611 5.128 4.527 -0.017 0.000 0.320 195 F C -1.947 173.827 175.800 -0.044 0.000 1.076 195 F CA -2.181 55.789 58.000 -0.050 0.000 0.928 195 F CB 1.778 40.746 39.000 -0.052 0.000 1.189 195 F HN 0.394 nan 8.300 nan 0.000 0.465 196 P HA 0.133 nan 4.420 nan 0.000 0.268 196 P C -0.902 176.456 177.300 0.096 0.000 1.204 196 P CA -0.147 63.004 63.100 0.086 0.000 0.768 196 P CB 0.567 32.309 31.700 0.070 0.000 0.842 197 V N 6.885 126.834 119.914 0.060 0.000 2.408 197 V HA 0.150 4.260 4.120 -0.017 0.000 0.267 197 V C -1.839 174.312 176.094 0.094 0.000 1.047 197 V CA -1.526 60.808 62.300 0.058 0.000 0.937 197 V CB 0.395 32.233 31.823 0.026 0.000 0.999 197 V HN 0.579 nan 8.190 nan 0.000 0.472 198 P HA -0.010 nan 4.420 nan 0.000 0.259 198 P C 0.490 177.938 177.300 0.248 0.000 1.163 198 P CA 0.451 63.627 63.100 0.127 0.000 0.760 198 P CB 0.717 32.454 31.700 0.061 0.000 0.762 199 A N 3.745 126.674 122.820 0.182 0.000 1.943 199 A HA -0.037 4.273 4.320 -0.017 0.000 0.213 199 A C 0.866 178.623 177.584 0.289 0.000 1.181 199 A CA 0.536 52.693 52.037 0.200 0.000 0.653 199 A CB -0.517 18.548 19.000 0.109 0.000 0.833 199 A HN 0.552 nan 8.150 nan 0.000 0.451 200 E N 0.779 121.100 120.200 0.202 0.000 2.452 200 E HA 0.151 4.491 4.350 -0.017 0.000 0.261 200 E C -0.244 176.503 176.600 0.245 0.000 0.987 200 E CA 0.071 56.567 56.400 0.160 0.000 0.926 200 E CB 0.269 30.021 29.700 0.087 0.000 0.934 200 E HN 0.763 nan 8.360 nan 0.000 0.452 201 H N -0.054 119.179 119.070 0.271 0.000 2.505 201 H HA 0.453 4.999 4.556 -0.017 0.000 0.355 201 H C 0.515 175.948 175.328 0.174 0.000 1.179 201 H CA -0.820 55.361 56.048 0.222 0.000 1.343 201 H CB 1.119 31.025 29.762 0.240 0.000 1.501 201 H HN 0.466 nan 8.280 nan 0.000 0.569 202 G N 1.429 110.406 108.800 0.294 0.000 4.547 202 G HA2 0.054 4.004 3.960 -0.017 0.000 0.301 202 G HA3 0.054 4.004 3.960 -0.017 0.000 0.301 202 G C -0.647 174.246 174.900 -0.012 0.000 1.240 202 G CA -0.677 44.467 45.100 0.073 0.000 0.970 202 G HN 0.636 nan 8.290 nan 0.000 0.574 203 N N 1.736 120.550 118.700 0.191 0.000 2.555 203 N HA 0.100 4.830 4.740 -0.017 0.000 0.244 203 N C 0.745 176.165 175.510 -0.149 0.000 1.114 203 N CA -0.379 52.566 53.050 -0.174 0.000 0.963 203 N CB 0.624 39.008 38.487 -0.173 0.000 1.276 203 N HN 0.549 nan 8.380 nan 0.000 0.510 204 Y N -0.334 119.952 120.300 -0.024 0.000 2.680 204 Y HA -0.009 4.531 4.550 -0.017 0.000 0.303 204 Y C 1.654 177.546 175.900 -0.014 0.000 1.166 204 Y CA 0.203 58.278 58.100 -0.042 0.000 1.344 204 Y CB -0.629 37.769 38.460 -0.103 0.000 1.002 204 Y HN 0.284 nan 8.280 nan 0.000 0.537 205 T N -4.074 110.448 114.554 -0.055 0.000 3.085 205 T HA 0.090 4.430 4.350 -0.017 0.000 0.264 205 T C -0.103 174.592 174.700 -0.009 0.000 1.019 205 T CA -0.307 61.796 62.100 0.005 0.000 0.910 205 T CB -0.126 68.732 68.868 -0.017 0.000 1.059 205 T HN 0.184 nan 8.240 nan 0.000 0.542 206 D N 3.260 123.653 120.400 -0.011 0.000 2.316 206 D HA 0.242 4.872 4.640 -0.017 0.000 0.245 206 D C -1.118 175.206 176.300 0.041 0.000 1.171 206 D CA -2.543 51.453 54.000 -0.006 0.000 0.856 206 D CB 1.987 42.757 40.800 -0.051 0.000 1.090 206 D HN 0.005 nan 8.370 nan 0.000 0.476 207 P HA -0.207 nan 4.420 nan 0.000 0.218 207 P C 1.057 178.388 177.300 0.051 0.000 1.146 207 P CA 0.931 64.051 63.100 0.034 0.000 0.813 207 P CB 0.351 32.062 31.700 0.018 0.000 0.778 208 E N -0.599 119.641 120.200 0.067 0.000 2.204 208 E HA -0.165 4.175 4.350 -0.017 0.000 0.195 208 E C 1.798 178.468 176.600 0.116 0.000 0.990 208 E CA 0.615 57.071 56.400 0.093 0.000 0.821 208 E CB -0.230 29.546 29.700 0.125 0.000 0.750 208 E HN 0.135 nan 8.360 nan 0.000 0.477 209 L N -0.008 121.301 121.223 0.143 0.000 2.388 209 L HA 0.052 4.382 4.340 -0.017 0.000 0.209 209 L C 2.392 179.311 176.870 0.082 0.000 1.061 209 L CA 1.689 56.604 54.840 0.125 0.000 0.834 209 L CB -0.158 42.020 42.059 0.198 0.000 1.029 209 L HN 0.203 nan 8.230 nan 0.000 0.473 210 T N -2.579 112.021 114.554 0.077 0.000 2.985 210 T HA 0.381 4.720 4.350 -0.017 0.000 0.266 210 T C 1.198 175.924 174.700 0.043 0.000 1.076 210 T CA 0.506 62.640 62.100 0.056 0.000 1.135 210 T CB -0.764 68.136 68.868 0.055 0.000 0.890 210 T HN 0.729 nan 8.240 nan 0.000 0.480 211 G N 2.391 111.217 108.800 0.043 0.000 2.782 211 G HA2 -0.072 3.878 3.960 -0.017 0.000 0.228 211 G HA3 -0.072 3.878 3.960 -0.017 0.000 0.228 211 G C -2.730 172.186 174.900 0.027 0.000 1.372 211 G CA -0.551 44.569 45.100 0.034 0.000 0.862 211 G HN 0.573 nan 8.290 nan 0.000 0.547 212 P HA 0.321 nan 4.420 nan 0.000 0.267 212 P C 0.547 177.857 177.300 0.016 0.000 1.205 212 P CA -0.024 63.086 63.100 0.017 0.000 0.765 212 P CB 0.447 32.155 31.700 0.014 0.000 0.828 213 L N 3.715 124.947 121.223 0.015 0.000 2.461 213 L HA 0.167 4.496 4.340 -0.017 0.000 0.272 213 L C 1.464 178.340 176.870 0.010 0.000 1.197 213 L CA -0.315 54.533 54.840 0.014 0.000 0.836 213 L CB -0.027 42.040 42.059 0.013 0.000 1.105 213 L HN 0.342 nan 8.230 nan 0.000 0.477 214 R N 0.449 120.954 120.500 0.008 0.000 2.590 214 R HA 0.080 4.410 4.340 -0.017 0.000 0.274 214 R C 0.784 177.087 176.300 0.005 0.000 1.061 214 R CA 0.325 56.429 56.100 0.006 0.000 1.081 214 R CB 0.315 30.618 30.300 0.004 0.000 0.984 214 R HN 0.723 nan 8.270 nan 0.000 0.448 215 T N -3.631 110.925 114.554 0.004 0.000 3.132 215 T HA -0.002 4.338 4.350 -0.017 0.000 0.274 215 T C 1.199 175.900 174.700 0.002 0.000 1.011 215 T CA 0.032 62.134 62.100 0.003 0.000 0.899 215 T CB 0.310 69.180 68.868 0.004 0.000 1.089 215 T HN 0.657 nan 8.240 nan 0.000 0.543 216 T N -0.608 113.947 114.554 0.001 0.000 3.081 216 T HA 0.151 4.491 4.350 -0.017 0.000 0.255 216 T C 0.695 175.394 174.700 -0.001 0.000 1.113 216 T CA -0.120 61.980 62.100 0.000 0.000 1.082 216 T CB -0.328 68.540 68.868 -0.000 0.000 0.939 216 T HN 0.431 nan 8.240 nan 0.000 0.506 217 Q N 1.834 121.634 119.800 -0.001 0.000 2.361 217 Q HA 0.371 4.701 4.340 -0.017 0.000 0.250 217 Q C -0.807 175.193 176.000 -0.001 0.000 1.023 217 Q CA -0.402 55.400 55.803 -0.001 0.000 0.915 217 Q CB 0.873 29.610 28.738 -0.002 0.000 1.238 217 Q HN 0.135 nan 8.270 nan 0.000 0.451 218 K N 3.539 123.938 120.400 -0.001 0.000 2.185 218 K HA 0.290 4.599 4.320 -0.017 0.000 0.271 218 K C -2.121 174.479 176.600 0.001 0.000 1.013 218 K CA -1.605 54.682 56.287 -0.000 0.000 0.943 218 K CB 0.206 32.705 32.500 -0.001 0.000 0.998 218 K HN 0.387 nan 8.250 nan 0.000 0.468 219 P HA 0.146 nan 4.420 nan 0.000 0.271 219 P C -0.823 176.479 177.300 0.004 0.000 1.218 219 P CA -0.232 62.870 63.100 0.004 0.000 0.780 219 P CB 0.554 32.257 31.700 0.005 0.000 0.901 220 I N 1.291 121.865 120.570 0.006 0.000 2.382 220 I HA 0.172 4.332 4.170 -0.017 0.000 0.285 220 I C 0.559 176.683 176.117 0.012 0.000 1.007 220 I CA -0.173 61.131 61.300 0.008 0.000 1.142 220 I CB 1.408 39.413 38.000 0.007 0.000 1.289 220 I HN 0.240 nan 8.210 nan 0.000 0.453 221 S N 7.197 122.905 115.700 0.013 0.000 2.422 221 S HA 0.632 5.092 4.470 -0.017 0.000 0.298 221 S C -0.494 174.119 174.600 0.022 0.000 1.118 221 S CA -0.569 57.641 58.200 0.016 0.000 1.083 221 S CB 0.146 63.354 63.200 0.014 0.000 0.971 221 S HN 0.328 nan 8.310 nan 0.000 0.478 222 I N 5.812 126.397 120.570 0.027 0.000 2.355 222 I HA 0.397 4.557 4.170 -0.017 0.000 0.288 222 I C 0.509 176.648 176.117 0.037 0.000 0.999 222 I CA -0.278 61.044 61.300 0.037 0.000 1.163 222 I CB 0.578 38.606 38.000 0.046 0.000 1.316 222 I HN 0.768 nan 8.210 nan 0.000 0.454 223 T N 2.913 117.490 114.554 0.038 0.000 2.864 223 T HA 0.617 4.956 4.350 -0.017 0.000 0.299 223 T C -0.669 174.054 174.700 0.039 0.000 1.166 223 T CA -0.864 61.257 62.100 0.035 0.000 1.007 223 T CB 2.583 71.466 68.868 0.026 0.000 1.219 223 T HN 0.484 nan 8.240 nan 0.000 0.506 224 Q N 1.077 120.896 119.800 0.033 0.000 2.616 224 Q HA 0.272 4.602 4.340 -0.017 0.000 0.250 224 Q C -2.214 173.795 176.000 0.016 0.000 0.991 224 Q CA -1.938 53.883 55.803 0.030 0.000 0.707 224 Q CB 1.898 30.656 28.738 0.033 0.000 1.247 224 Q HN 0.485 nan 8.270 nan 0.000 0.491 225 P HA -0.231 nan 4.420 nan 0.000 0.216 225 P C 0.151 177.453 177.300 0.004 0.000 1.154 225 P CA 1.508 64.614 63.100 0.010 0.000 0.865 225 P CB 0.341 32.047 31.700 0.011 0.000 0.789 226 E N -0.871 119.331 120.200 0.003 0.000 2.419 226 E HA 0.358 4.698 4.350 -0.017 0.000 0.190 226 E C 0.870 177.459 176.600 -0.019 0.000 1.040 226 E CA 0.016 56.413 56.400 -0.005 0.000 0.900 226 E CB -0.083 29.616 29.700 -0.002 0.000 1.054 226 E HN 0.156 nan 8.360 nan 0.000 0.462 227 G N 2.972 111.758 108.800 -0.023 0.000 2.760 227 G HA2 -0.204 3.746 3.960 -0.017 0.000 0.246 227 G HA3 -0.204 3.746 3.960 -0.017 0.000 0.246 227 G C -2.686 172.166 174.900 -0.080 0.000 1.359 227 G CA -0.853 44.214 45.100 -0.055 0.000 0.861 227 G HN 0.046 nan 8.290 nan 0.000 0.541 228 P HA 0.366 nan 4.420 nan 0.000 0.274 228 P C 0.588 177.765 177.300 -0.204 0.000 1.246 228 P CA 0.111 63.049 63.100 -0.269 0.000 0.795 228 P CB 1.334 32.563 31.700 -0.784 0.000 1.006 229 S N 0.056 115.767 115.700 0.018 0.000 2.527 229 S HA 0.100 4.560 4.470 -0.017 0.000 0.222 229 S C 0.744 175.501 174.600 0.261 0.000 0.985 229 S CA 0.208 58.498 58.200 0.151 0.000 0.921 229 S CB -0.745 62.614 63.200 0.266 0.000 0.772 229 S HN 0.568 nan 8.310 nan 0.000 0.529 230 F N 1.985 122.136 119.950 0.334 0.000 2.403 230 F HA 0.742 5.259 4.527 -0.017 0.000 0.326 230 F C 0.158 176.046 175.800 0.147 0.000 1.081 230 F CA -1.112 57.067 58.000 0.298 0.000 1.041 230 F CB 0.349 39.499 39.000 0.250 0.000 1.234 230 F HN -0.145 nan 8.300 nan 0.000 0.503 231 T N -0.284 114.470 114.554 0.333 0.000 2.863 231 T HA 0.737 5.077 4.350 -0.017 0.000 0.285 231 T C -1.206 173.653 174.700 0.265 0.000 1.009 231 T CA -0.800 61.422 62.100 0.202 0.000 0.989 231 T CB 1.455 70.407 68.868 0.139 0.000 1.004 231 T HN 0.686 nan 8.240 nan 0.000 0.455 232 V N 3.438 123.480 119.914 0.214 0.000 2.409 232 V HA 0.709 4.819 4.120 -0.017 0.000 0.291 232 V C 0.364 176.551 176.094 0.156 0.000 1.020 232 V CA -0.654 61.761 62.300 0.191 0.000 0.848 232 V CB 1.257 33.195 31.823 0.192 0.000 0.990 232 V HN 1.279 nan 8.190 nan 0.000 0.430 233 T N 0.140 114.803 114.554 0.182 0.000 2.907 233 T HA 0.686 5.025 4.350 -0.017 0.000 0.292 233 T C 0.760 175.551 174.700 0.153 0.000 1.043 233 T CA -0.040 62.151 62.100 0.152 0.000 1.003 233 T CB 1.778 70.735 68.868 0.148 0.000 1.084 233 T HN 1.771 nan 8.240 nan 0.000 0.483 234 G N 0.078 108.939 108.800 0.101 0.000 2.179 234 G HA2 0.122 4.072 3.960 -0.017 0.000 0.257 234 G HA3 0.122 4.072 3.960 -0.017 0.000 0.257 234 G C 1.321 176.278 174.900 0.095 0.000 1.010 234 G CA 0.885 46.038 45.100 0.087 0.000 0.736 234 G HN 2.413 nan 8.290 nan 0.000 0.513 235 G N -0.034 108.822 108.800 0.093 0.000 2.507 235 G HA2 -0.294 3.656 3.960 -0.017 0.000 0.240 235 G HA3 -0.294 3.656 3.960 -0.017 0.000 0.240 235 G C 0.930 175.884 174.900 0.090 0.000 1.119 235 G CA 1.393 46.543 45.100 0.083 0.000 0.664 235 G HN 2.223 nan 8.290 nan 0.000 0.516 236 N N -0.204 118.561 118.700 0.109 0.000 2.142 236 N HA 0.171 4.901 4.740 -0.017 0.000 0.233 236 N C -0.242 175.332 175.510 0.106 0.000 1.335 236 N CA 0.353 53.459 53.050 0.093 0.000 0.837 236 N CB -0.204 38.336 38.487 0.088 0.000 1.238 236 N HN 0.557 nan 8.380 nan 0.000 0.501 237 H N 1.380 120.485 119.070 0.059 0.000 2.604 237 H HA 0.462 5.007 4.556 -0.017 0.000 0.306 237 H C -0.432 174.938 175.328 0.069 0.000 1.075 237 H CA -0.285 55.796 56.048 0.055 0.000 1.357 237 H CB 0.547 30.345 29.762 0.059 0.000 1.426 237 H HN -0.004 nan 8.280 nan 0.000 0.470 238 I N 4.717 125.021 120.570 -0.444 0.000 2.460 238 I HA 0.280 4.440 4.170 -0.017 0.000 0.298 238 I C -0.104 175.870 176.117 -0.239 0.000 0.989 238 I CA -0.573 60.591 61.300 -0.225 0.000 1.173 238 I CB 1.563 39.451 38.000 -0.187 0.000 1.338 238 I HN 0.717 nan 8.210 nan 0.000 0.456 239 E N 5.040 125.269 120.200 0.047 0.000 2.244 239 E HA 0.348 4.688 4.350 -0.017 0.000 0.260 239 E C -1.847 174.943 176.600 0.317 0.000 0.884 239 E CA -0.579 55.905 56.400 0.140 0.000 0.777 239 E CB 2.585 32.372 29.700 0.146 0.000 1.197 239 E HN 0.559 nan 8.360 nan 0.000 0.416 240 W N 4.057 125.421 121.300 0.108 0.000 3.326 240 W HA 0.171 4.821 4.660 -0.016 0.000 0.333 240 W C -0.668 175.950 176.519 0.166 0.000 1.108 240 W CA -0.393 57.046 57.345 0.155 0.000 1.245 240 W CB 0.974 30.526 29.460 0.153 0.000 1.331 240 W HN 0.349 nan 8.180 nan 0.000 0.464 241 E N 5.933 125.790 120.200 -0.572 0.000 2.149 241 E HA -0.321 4.019 4.350 -0.017 0.000 0.191 241 E C 0.549 176.853 176.600 -0.494 0.000 1.384 241 E CA 1.857 57.851 56.400 -0.676 0.000 0.698 241 E CB -1.024 27.888 29.700 -1.314 0.000 1.086 241 E HN 0.899 nan 8.360 nan 0.000 0.338 242 K N -3.859 116.283 120.400 -0.430 0.000 3.609 242 K HA -0.245 4.065 4.320 -0.017 0.000 0.277 242 K C 0.171 176.330 176.600 -0.735 0.000 1.196 242 K CA 1.764 57.627 56.287 -0.705 0.000 1.022 242 K CB -1.403 30.359 32.500 -1.229 0.000 1.292 242 K HN 0.263 nan 8.250 nan 0.000 0.484 243 W N 1.748 122.850 121.300 -0.329 0.000 2.251 243 W HA 0.425 5.076 4.660 -0.016 0.000 0.329 243 W C 0.675 177.171 176.519 -0.038 0.000 1.234 243 W CA -0.101 57.193 57.345 -0.085 0.000 1.228 243 W CB 1.408 30.962 29.460 0.157 0.000 1.135 243 W HN -0.014 nan 8.180 nan 0.000 0.576 244 S N 3.974 119.835 115.700 0.269 0.000 2.571 244 S HA 0.830 5.290 4.470 -0.017 0.000 0.284 244 S C -1.150 173.484 174.600 0.057 0.000 1.128 244 S CA -0.730 57.534 58.200 0.107 0.000 0.970 244 S CB 0.141 63.425 63.200 0.141 0.000 1.039 244 S HN 0.554 nan 8.310 nan 0.000 0.485 245 L N 1.157 122.296 121.223 -0.141 0.000 2.869 245 L HA 0.748 5.078 4.340 -0.017 0.000 0.265 245 L C -2.076 174.679 176.870 -0.191 0.000 1.011 245 L CA -1.022 53.740 54.840 -0.131 0.000 0.913 245 L CB 1.716 43.694 42.059 -0.134 0.000 1.490 245 L HN 0.387 nan 8.230 nan 0.000 0.410 246 D N 1.510 121.859 120.400 -0.084 0.000 2.375 246 D HA 0.476 5.105 4.640 -0.017 0.000 0.247 246 D C -0.789 175.520 176.300 0.015 0.000 1.061 246 D CA -0.275 53.733 54.000 0.015 0.000 0.834 246 D CB 3.207 44.051 40.800 0.074 0.000 1.247 246 D HN 0.373 nan 8.370 nan 0.000 0.489 247 V N 2.255 122.176 119.914 0.011 0.000 2.334 247 V HA 0.467 4.576 4.120 -0.017 0.000 0.267 247 V C 0.953 177.102 176.094 0.092 0.000 1.040 247 V CA -0.416 61.877 62.300 -0.011 0.000 0.866 247 V CB 1.043 32.834 31.823 -0.053 0.000 1.019 247 V HN 0.590 nan 8.190 nan 0.000 0.468 248 G N 3.105 111.992 108.800 0.145 0.000 2.521 248 G HA2 0.705 4.655 3.960 -0.017 0.000 0.323 248 G HA3 0.705 4.655 3.960 -0.017 0.000 0.323 248 G C -1.517 173.479 174.900 0.161 0.000 1.211 248 G CA -0.465 44.766 45.100 0.218 0.000 0.979 248 G HN 0.471 nan 8.290 nan 0.000 0.490 249 F N -0.109 119.824 119.950 -0.029 0.000 2.588 249 F HA 0.518 5.034 4.527 -0.017 0.000 0.314 249 F C -1.479 174.269 175.800 -0.087 0.000 1.134 249 F CA -0.952 56.979 58.000 -0.114 0.000 0.961 249 F CB 2.595 41.513 39.000 -0.137 0.000 1.239 249 F HN 0.519 nan 8.300 nan 0.000 0.448 250 D N 3.678 123.651 120.400 -0.712 0.000 2.619 250 D HA 0.315 4.944 4.640 -0.017 0.000 0.241 250 D C 0.151 176.054 176.300 -0.662 0.000 1.087 250 D CA -0.539 53.198 54.000 -0.439 0.000 0.851 250 D CB 2.461 43.145 40.800 -0.193 0.000 1.474 250 D HN 0.374 nan 8.370 nan 0.000 0.478 251 V N 4.176 123.906 119.914 -0.307 0.000 2.594 251 V HA -0.121 3.989 4.120 -0.017 0.000 0.253 251 V C 2.035 178.049 176.094 -0.133 0.000 1.069 251 V CA 2.134 64.309 62.300 -0.209 0.000 1.082 251 V CB -0.354 31.405 31.823 -0.107 0.000 0.680 251 V HN 0.617 nan 8.190 nan 0.000 0.469 252 R N -0.468 120.015 120.500 -0.027 0.000 2.055 252 R HA -0.023 4.306 4.340 -0.017 0.000 0.221 252 R C 2.216 178.455 176.300 -0.101 0.000 1.154 252 R CA 1.506 57.582 56.100 -0.040 0.000 0.975 252 R CB -0.206 30.028 30.300 -0.110 0.000 0.869 252 R HN 0.568 nan 8.270 nan 0.000 0.437 253 E N -0.412 119.711 120.200 -0.128 0.000 2.299 253 E HA 0.116 4.455 4.350 -0.017 0.000 0.193 253 E C 0.759 177.200 176.600 -0.265 0.000 0.998 253 E CA 0.404 56.739 56.400 -0.109 0.000 0.851 253 E CB 0.433 30.114 29.700 -0.031 0.000 0.795 253 E HN 0.575 nan 8.360 nan 0.000 0.492 254 G N 0.777 109.206 108.800 -0.619 0.000 2.488 254 G HA2 -0.294 3.656 3.960 -0.017 0.000 0.237 254 G HA3 -0.294 3.656 3.960 -0.017 0.000 0.237 254 G C -0.117 174.213 174.900 -0.949 0.000 1.209 254 G CA -0.348 44.072 45.100 -1.132 0.000 0.929 254 G HN 0.104 nan 8.290 nan 0.000 0.578 255 V N 0.721 120.258 119.914 -0.628 0.000 2.585 255 V HA 0.421 4.531 4.120 -0.017 0.000 0.296 255 V C 0.750 176.782 176.094 -0.103 0.000 1.035 255 V CA 0.205 62.433 62.300 -0.120 0.000 1.084 255 V CB 0.990 32.916 31.823 0.172 0.000 0.953 255 V HN 0.901 nan 8.190 nan 0.000 0.483 256 V N 6.747 126.540 119.914 -0.203 0.000 2.588 256 V HA 0.459 4.569 4.120 -0.017 0.000 0.304 256 V C -0.209 175.549 176.094 -0.559 0.000 1.042 256 V CA -0.639 61.436 62.300 -0.375 0.000 0.877 256 V CB 1.911 33.525 31.823 -0.349 0.000 0.996 256 V HN 0.602 nan 8.190 nan 0.000 0.425 257 L N 5.084 125.865 121.223 -0.736 0.000 2.289 257 L HA 0.607 4.936 4.340 -0.017 0.000 0.285 257 L C -0.388 176.081 176.870 -0.669 0.000 1.049 257 L CA -0.527 53.912 54.840 -0.667 0.000 0.804 257 L CB 0.907 42.500 42.059 -0.776 0.000 1.195 257 L HN 0.620 nan 8.230 nan 0.000 0.428 258 H N 3.719 122.622 119.070 -0.279 0.000 2.569 258 H HA 0.266 4.812 4.556 -0.017 0.000 0.357 258 H C -0.149 174.972 175.328 -0.346 0.000 1.153 258 H CA -0.735 55.121 56.048 -0.319 0.000 1.193 258 H CB 1.810 31.338 29.762 -0.390 0.000 1.602 258 H HN 0.557 nan 8.280 nan 0.000 0.523 259 N N 1.432 119.995 118.700 -0.228 0.000 2.705 259 N HA -0.182 4.548 4.740 -0.017 0.000 0.255 259 N C -0.307 175.144 175.510 -0.099 0.000 1.008 259 N CA 0.368 53.296 53.050 -0.202 0.000 0.742 259 N CB -0.922 37.393 38.487 -0.287 0.000 0.906 259 N HN 0.436 nan 8.380 nan 0.000 0.541 260 I N 0.483 121.001 120.570 -0.087 0.000 2.581 260 I HA 0.242 4.402 4.170 -0.017 0.000 0.285 260 I C 1.164 177.344 176.117 0.104 0.000 1.129 260 I CA -0.037 61.274 61.300 0.020 0.000 1.397 260 I CB -0.086 37.904 38.000 -0.016 0.000 1.399 260 I HN 0.302 nan 8.210 nan 0.000 0.537 261 A N 7.137 130.082 122.820 0.209 0.000 2.556 261 A HA 0.792 5.102 4.320 -0.017 0.000 0.294 261 A C -1.518 176.217 177.584 0.252 0.000 1.091 261 A CA -0.529 51.622 52.037 0.190 0.000 0.704 261 A CB 1.914 20.976 19.000 0.104 0.000 1.300 261 A HN 0.448 nan 8.150 nan 0.000 0.406 262 F N 0.517 120.476 119.950 0.015 0.000 2.529 262 F HA 0.663 5.180 4.527 -0.017 0.000 0.320 262 F C 0.230 176.042 175.800 0.020 0.000 1.118 262 F CA -0.628 57.310 58.000 -0.105 0.000 0.915 262 F CB 1.814 40.692 39.000 -0.204 0.000 1.161 262 F HN 0.584 nan 8.300 nan 0.000 0.445 263 R N 4.120 124.510 120.500 -0.184 0.000 2.272 263 R HA 0.181 4.511 4.340 -0.017 0.000 0.334 263 R C -1.318 175.069 176.300 0.145 0.000 1.117 263 R CA 0.018 56.102 56.100 -0.027 0.000 0.966 263 R CB -0.333 29.889 30.300 -0.130 0.000 1.049 263 R HN 0.511 nan 8.270 nan 0.000 0.477 264 D N 4.051 124.628 120.400 0.295 0.000 2.467 264 D HA 0.393 5.023 4.640 -0.017 0.000 0.220 264 D C 0.770 177.165 176.300 0.158 0.000 1.103 264 D CA 0.944 55.147 54.000 0.338 0.000 0.886 264 D CB 0.757 41.789 40.800 0.387 0.000 1.025 264 D HN 0.687 nan 8.370 nan 0.000 0.514 265 G N 4.829 113.697 108.800 0.113 0.000 2.557 265 G HA2 -0.339 3.611 3.960 -0.017 0.000 0.292 265 G HA3 -0.339 3.611 3.960 -0.017 0.000 0.292 265 G C 0.587 175.511 174.900 0.039 0.000 1.162 265 G CA 0.383 45.520 45.100 0.061 0.000 0.964 265 G HN 0.525 nan 8.290 nan 0.000 0.541 266 D N 1.597 122.016 120.400 0.031 0.000 2.340 266 D HA 0.316 4.946 4.640 -0.017 0.000 0.217 266 D C 1.181 177.494 176.300 0.022 0.000 1.081 266 D CA 0.599 54.611 54.000 0.020 0.000 0.842 266 D CB 0.178 40.986 40.800 0.013 0.000 0.934 266 D HN 0.710 nan 8.370 nan 0.000 0.511 267 R N 0.120 120.640 120.500 0.033 0.000 2.686 267 R HA 0.540 4.870 4.340 -0.017 0.000 0.286 267 R C -1.203 175.128 176.300 0.052 0.000 0.969 267 R CA -1.048 55.070 56.100 0.030 0.000 0.898 267 R CB 1.234 31.542 30.300 0.014 0.000 1.183 267 R HN -0.117 nan 8.270 nan 0.000 0.456 268 L N 3.182 124.431 121.223 0.044 0.000 2.295 268 L HA 0.349 4.679 4.340 -0.017 0.000 0.288 268 L C -0.548 176.363 176.870 0.069 0.000 1.079 268 L CA -0.153 54.724 54.840 0.061 0.000 0.830 268 L CB 0.412 42.498 42.059 0.045 0.000 1.200 268 L HN 0.606 nan 8.230 nan 0.000 0.438 269 R N 7.207 127.783 120.500 0.127 0.000 2.207 269 R HA 0.433 4.763 4.340 -0.017 0.000 0.334 269 R C -2.308 174.094 176.300 0.170 0.000 1.013 269 R CA -1.745 54.439 56.100 0.139 0.000 0.858 269 R CB 0.712 31.117 30.300 0.176 0.000 1.094 269 R HN 0.494 nan 8.270 nan 0.000 0.457 270 P HA 0.094 nan 4.420 nan 0.000 0.274 270 P C -0.120 177.189 177.300 0.014 0.000 1.231 270 P CA 0.039 63.139 63.100 0.001 0.000 0.790 270 P CB 1.283 32.904 31.700 -0.131 0.000 0.951 271 I N 0.496 121.018 120.570 -0.081 0.000 3.814 271 I HA 0.247 4.407 4.170 -0.017 0.000 0.264 271 I C 0.667 176.661 176.117 -0.204 0.000 1.145 271 I CA 0.212 61.373 61.300 -0.233 0.000 1.375 271 I CB 0.402 38.152 38.000 -0.416 0.000 1.638 271 I HN 0.133 nan 8.210 nan 0.000 0.432 272 I N 1.465 121.942 120.570 -0.154 0.000 2.478 272 I HA 0.171 4.331 4.170 -0.017 0.000 0.287 272 I C 0.634 176.674 176.117 -0.128 0.000 1.042 272 I CA -0.240 60.980 61.300 -0.134 0.000 1.067 272 I CB 2.087 40.007 38.000 -0.132 0.000 1.233 272 I HN 0.120 nan 8.210 nan 0.000 0.431 273 N N 5.456 124.098 118.700 -0.097 0.000 2.171 273 N HA 0.008 4.738 4.740 -0.017 0.000 0.184 273 N C 0.542 176.006 175.510 -0.077 0.000 1.021 273 N CA 1.013 54.026 53.050 -0.061 0.000 0.854 273 N CB 0.539 39.087 38.487 0.101 0.000 0.994 273 N HN 0.550 nan 8.380 nan 0.000 0.426 274 R N -0.143 120.292 120.500 -0.109 0.000 2.535 274 R HA 0.479 4.809 4.340 -0.017 0.000 0.274 274 R C -2.097 174.056 176.300 -0.246 0.000 1.090 274 R CA -0.509 55.479 56.100 -0.187 0.000 0.930 274 R CB 1.830 32.075 30.300 -0.090 0.000 1.223 274 R HN 0.055 nan 8.270 nan 0.000 0.441 275 A N 2.348 124.942 122.820 -0.377 0.000 2.356 275 A HA 0.742 5.051 4.320 -0.017 0.000 0.310 275 A C -1.049 176.300 177.584 -0.393 0.000 1.075 275 A CA -0.408 51.406 52.037 -0.372 0.000 0.746 275 A CB 1.576 20.241 19.000 -0.557 0.000 1.221 275 A HN 0.833 nan 8.150 nan 0.000 0.443 276 S N 0.791 116.444 115.700 -0.078 0.000 2.615 276 S HA 0.681 5.141 4.470 -0.017 0.000 0.269 276 S C -1.318 173.413 174.600 0.219 0.000 1.161 276 S CA -0.628 57.619 58.200 0.079 0.000 0.817 276 S CB 0.566 63.738 63.200 -0.047 0.000 1.131 276 S HN 0.566 nan 8.310 nan 0.000 0.467 277 I N 2.106 122.827 120.570 0.252 0.000 2.287 277 I HA 0.545 4.705 4.170 -0.017 0.000 0.290 277 I C 1.182 177.410 176.117 0.185 0.000 1.069 277 I CA -0.343 61.091 61.300 0.224 0.000 1.237 277 I CB 0.844 39.065 38.000 0.369 0.000 1.418 277 I HN 0.945 nan 8.210 nan 0.000 0.481 278 A N 4.253 127.157 122.820 0.141 0.000 2.169 278 A HA 0.192 4.502 4.320 -0.017 0.000 0.212 278 A C 0.767 178.427 177.584 0.126 0.000 1.153 278 A CA 0.923 53.068 52.037 0.180 0.000 0.756 278 A CB -0.106 19.015 19.000 0.201 0.000 0.813 278 A HN 0.614 nan 8.150 nan 0.000 0.471 279 E N -1.615 118.607 120.200 0.037 0.000 2.396 279 E HA 0.556 4.896 4.350 -0.017 0.000 0.280 279 E C -1.074 175.535 176.600 0.015 0.000 1.065 279 E CA -0.364 56.020 56.400 -0.027 0.000 0.831 279 E CB 0.921 30.442 29.700 -0.298 0.000 1.272 279 E HN 0.490 nan 8.360 nan 0.000 0.443 280 M N 2.168 121.788 119.600 0.033 0.000 2.294 280 M HA 0.666 5.136 4.480 -0.017 0.000 0.280 280 M C -1.910 174.301 176.300 -0.149 0.000 1.085 280 M CA -0.889 54.302 55.300 -0.181 0.000 0.969 280 M CB 1.817 34.198 32.600 -0.364 0.000 1.770 280 M HN 0.299 nan 8.290 nan 0.000 0.485 281 V N 3.782 123.537 119.914 -0.265 0.000 2.769 281 V HA 0.841 4.951 4.120 -0.017 0.000 0.312 281 V C -1.371 174.491 176.094 -0.388 0.000 1.061 281 V CA -0.484 61.555 62.300 -0.434 0.000 0.931 281 V CB 2.479 33.852 31.823 -0.750 0.000 1.010 281 V HN 0.811 nan 8.190 nan 0.000 0.433 282 V N 7.976 127.701 119.914 -0.315 0.000 2.276 282 V HA 0.414 4.524 4.120 -0.017 0.000 0.268 282 V C -2.437 173.460 176.094 -0.328 0.000 1.032 282 V CA -1.320 60.807 62.300 -0.288 0.000 0.810 282 V CB 1.273 33.060 31.823 -0.059 0.000 1.060 282 V HN 0.819 nan 8.190 nan 0.000 0.446 283 P HA 0.330 nan 4.420 nan 0.000 0.286 283 P C -1.282 175.817 177.300 -0.335 0.000 1.269 283 P CA -0.300 62.626 63.100 -0.289 0.000 0.787 283 P CB 1.080 32.625 31.700 -0.259 0.000 0.920 284 Y N 0.795 120.934 120.300 -0.268 0.000 2.334 284 Y HA 0.461 5.001 4.550 -0.017 0.000 0.328 284 Y C 1.759 177.579 175.900 -0.134 0.000 1.130 284 Y CA 0.283 58.266 58.100 -0.194 0.000 1.163 284 Y CB 1.363 39.637 38.460 -0.310 0.000 1.207 284 Y HN 0.479 nan 8.280 nan 0.000 0.471 285 G N 1.171 109.986 108.800 0.024 0.000 3.707 285 G HA2 0.010 3.959 3.960 -0.017 0.000 0.286 285 G HA3 0.010 3.959 3.960 -0.017 0.000 0.286 285 G C -0.709 174.209 174.900 0.030 0.000 1.112 285 G CA -0.169 44.951 45.100 0.034 0.000 0.861 285 G HN 0.510 nan 8.290 nan 0.000 0.534 286 D N 1.124 121.527 120.400 0.006 0.000 2.317 286 D HA 0.261 4.891 4.640 -0.017 0.000 0.234 286 D C -1.145 175.119 176.300 -0.060 0.000 1.112 286 D CA -2.424 51.546 54.000 -0.049 0.000 0.840 286 D CB 2.259 43.025 40.800 -0.056 0.000 1.078 286 D HN 0.028 nan 8.370 nan 0.000 0.486 287 P HA -0.035 nan 4.420 nan 0.000 0.242 287 P C 0.359 177.641 177.300 -0.030 0.000 1.197 287 P CA -0.016 63.066 63.100 -0.031 0.000 0.765 287 P CB 0.145 31.837 31.700 -0.012 0.000 0.936 288 S N 1.465 117.137 115.700 -0.047 0.000 2.549 288 S HA 0.118 4.578 4.470 -0.017 0.000 0.286 288 S C -1.373 173.222 174.600 -0.008 0.000 1.314 288 S CA -0.970 57.215 58.200 -0.025 0.000 1.062 288 S CB 0.361 63.529 63.200 -0.054 0.000 0.865 288 S HN -0.074 nan 8.310 nan 0.000 0.498 289 P HA -0.052 nan 4.420 nan 0.000 0.225 289 P C 1.101 178.528 177.300 0.211 0.000 1.148 289 P CA 0.583 63.757 63.100 0.123 0.000 0.779 289 P CB 0.050 31.828 31.700 0.131 0.000 0.780 290 I N -0.956 119.693 120.570 0.133 0.000 2.546 290 I HA -0.093 4.067 4.170 -0.017 0.000 0.255 290 I C 1.668 177.874 176.117 0.148 0.000 1.163 290 I CA 1.526 62.943 61.300 0.195 0.000 1.457 290 I CB -0.840 37.189 38.000 0.049 0.000 1.092 290 I HN 0.041 nan 8.210 nan 0.000 0.434 291 R N -0.546 119.840 120.500 -0.190 0.000 2.541 291 R HA 0.104 4.434 4.340 -0.017 0.000 0.332 291 R C 1.867 177.699 176.300 -0.779 0.000 0.951 291 R CA 0.446 56.146 56.100 -0.667 0.000 1.136 291 R CB 0.294 30.338 30.300 -0.426 0.000 1.449 291 R HN 0.255 nan 8.270 nan 0.000 0.531 292 S N 0.745 116.183 115.700 -0.438 0.000 2.500 292 S HA -0.107 4.352 4.470 -0.017 0.000 0.239 292 S C 1.382 175.775 174.600 -0.345 0.000 0.989 292 S CA 0.350 58.377 58.200 -0.289 0.000 0.951 292 S CB -0.375 62.754 63.200 -0.118 0.000 0.759 292 S HN 0.613 nan 8.310 nan 0.000 0.523 293 W N 0.626 121.729 121.300 -0.328 0.000 3.197 293 W HA 0.383 5.033 4.660 -0.017 0.000 0.274 293 W C 0.496 176.958 176.519 -0.095 0.000 1.297 293 W CA -0.646 56.376 57.345 -0.539 0.000 1.662 293 W CB -0.694 28.343 29.460 -0.705 0.000 1.106 293 W HN 0.285 nan 8.180 nan 0.000 0.663 294 Q N 3.001 122.309 119.800 -0.820 0.000 2.276 294 Q HA 0.074 4.403 4.340 -0.017 0.000 0.267 294 Q C -0.745 174.938 176.000 -0.528 0.000 1.135 294 Q CA 0.766 56.020 55.803 -0.916 0.000 0.910 294 Q CB 0.016 27.952 28.738 -1.337 0.000 1.271 294 Q HN 0.021 nan 8.270 nan 0.000 0.417 295 N N 4.774 123.189 118.700 -0.476 0.000 2.572 295 N HA 0.132 4.862 4.740 -0.017 0.000 0.287 295 N C -1.827 173.562 175.510 -0.203 0.000 1.136 295 N CA -0.333 52.532 53.050 -0.309 0.000 0.900 295 N CB 1.131 39.606 38.487 -0.020 0.000 1.484 295 N HN 0.498 nan 8.380 nan 0.000 0.526 296 Y N 1.273 121.611 120.300 0.063 0.000 2.385 296 Y HA 0.385 4.925 4.550 -0.017 0.000 0.341 296 Y C 0.036 176.001 175.900 0.109 0.000 0.965 296 Y CA -0.948 57.277 58.100 0.208 0.000 1.180 296 Y CB 0.613 39.179 38.460 0.177 0.000 1.139 296 Y HN 0.368 nan 8.280 nan 0.000 0.502 297 F N 3.192 123.377 119.950 0.390 0.000 2.567 297 F HA 0.127 4.644 4.527 -0.017 0.000 0.352 297 F C 1.037 177.046 175.800 0.349 0.000 1.229 297 F CA -0.554 57.602 58.000 0.261 0.000 1.228 297 F CB -0.049 39.057 39.000 0.176 0.000 1.568 297 F HN 0.577 nan 8.300 nan 0.000 0.634 298 D N 0.577 121.230 120.400 0.420 0.000 2.133 298 D HA -0.168 4.462 4.640 -0.017 0.000 0.195 298 D C 2.098 178.636 176.300 0.397 0.000 0.997 298 D CA 1.751 56.005 54.000 0.425 0.000 0.840 298 D CB -0.035 40.931 40.800 0.276 0.000 0.947 298 D HN 0.363 nan 8.370 nan 0.000 0.452 299 T N -0.439 114.282 114.554 0.278 0.000 2.735 299 T HA -0.005 4.335 4.350 -0.017 0.000 0.256 299 T C 1.978 176.743 174.700 0.107 0.000 1.042 299 T CA 1.402 63.611 62.100 0.182 0.000 1.147 299 T CB -0.632 68.311 68.868 0.124 0.000 0.865 299 T HN 0.238 nan 8.240 nan 0.000 0.421 300 G N 0.961 109.825 108.800 0.105 0.000 2.408 300 G HA2 -0.130 3.819 3.960 -0.017 0.000 0.217 300 G HA3 -0.130 3.819 3.960 -0.017 0.000 0.217 300 G C 1.455 176.355 174.900 -0.000 0.000 1.150 300 G CA 0.585 45.659 45.100 -0.043 0.000 0.776 300 G HN 0.506 nan 8.290 nan 0.000 0.542 301 E N -1.091 119.192 120.200 0.138 0.000 2.127 301 E HA 0.081 4.421 4.350 -0.017 0.000 0.191 301 E C 1.858 178.448 176.600 -0.017 0.000 0.964 301 E CA 0.391 56.807 56.400 0.027 0.000 0.832 301 E CB 0.048 29.766 29.700 0.030 0.000 0.790 301 E HN 0.573 nan 8.360 nan 0.000 0.465 302 Y N 0.055 120.521 120.300 0.276 0.000 2.509 302 Y HA 0.267 4.807 4.550 -0.017 0.000 0.270 302 Y C 0.061 176.180 175.900 0.364 0.000 1.103 302 Y CA -0.001 58.330 58.100 0.385 0.000 1.278 302 Y CB 0.545 39.261 38.460 0.427 0.000 1.087 302 Y HN -0.153 nan 8.280 nan 0.000 0.542 303 L N 0.755 122.195 121.223 0.361 0.000 2.805 303 L HA -0.209 4.121 4.340 -0.017 0.000 0.688 303 L C 1.125 178.137 176.870 0.237 0.000 1.050 303 L CA -0.044 54.916 54.840 0.200 0.000 1.362 303 L CB -1.673 40.459 42.059 0.121 0.000 1.968 303 L HN 0.166 nan 8.230 nan 0.000 0.923 304 V N -0.446 119.621 119.914 0.255 0.000 2.380 304 V HA -0.174 3.936 4.120 -0.017 0.000 0.251 304 V C 2.246 178.488 176.094 0.247 0.000 1.063 304 V CA 2.328 64.819 62.300 0.319 0.000 1.055 304 V CB -0.718 31.268 31.823 0.272 0.000 0.657 304 V HN 0.839 nan 8.190 nan 0.000 0.455 305 G N -0.710 108.097 108.800 0.012 0.000 2.442 305 G HA2 -0.341 3.608 3.960 -0.017 0.000 0.219 305 G HA3 -0.341 3.608 3.960 -0.017 0.000 0.219 305 G C 1.579 176.552 174.900 0.121 0.000 1.141 305 G CA 0.967 46.005 45.100 -0.103 0.000 0.763 305 G HN 0.643 nan 8.290 nan 0.000 0.554 306 Q N -0.747 119.019 119.800 -0.057 0.000 2.197 306 Q HA -0.154 4.176 4.340 -0.017 0.000 0.207 306 Q C 1.112 176.940 176.000 -0.287 0.000 0.984 306 Q CA 1.203 56.856 55.803 -0.251 0.000 0.869 306 Q CB -0.150 28.252 28.738 -0.560 0.000 0.906 306 Q HN 0.635 nan 8.270 nan 0.000 0.426 307 Y N -0.473 119.985 120.300 0.263 0.000 2.625 307 Y HA 0.436 4.976 4.550 -0.017 0.000 0.285 307 Y C 0.287 176.361 175.900 0.290 0.000 1.168 307 Y CA -0.344 57.912 58.100 0.260 0.000 1.250 307 Y CB -0.180 38.435 38.460 0.259 0.000 1.130 307 Y HN 0.061 nan 8.280 nan 0.000 0.526 308 A N 0.914 123.979 122.820 0.407 0.000 2.511 308 A HA 0.082 4.391 4.320 -0.017 0.000 0.242 308 A C 0.336 178.113 177.584 0.322 0.000 1.069 308 A CA -0.250 52.059 52.037 0.453 0.000 0.763 308 A CB -0.229 19.038 19.000 0.445 0.000 1.001 308 A HN 0.616 nan 8.150 nan 0.000 0.498 309 N N 0.722 119.619 118.700 0.329 0.000 2.467 309 N HA 0.297 5.026 4.740 -0.017 0.000 0.262 309 N C -0.371 175.235 175.510 0.159 0.000 1.234 309 N CA -0.267 52.916 53.050 0.222 0.000 0.952 309 N CB 0.592 39.200 38.487 0.201 0.000 1.158 309 N HN 0.546 nan 8.380 nan 0.000 0.463 310 S N 1.177 116.933 115.700 0.092 0.000 2.452 310 S HA 0.245 4.704 4.470 -0.017 0.000 0.284 310 S C -0.065 174.555 174.600 0.033 0.000 1.171 310 S CA -0.644 57.576 58.200 0.033 0.000 1.064 310 S CB 0.066 63.263 63.200 -0.005 0.000 0.967 310 S HN 0.267 nan 8.310 nan 0.000 0.484 311 L N 3.657 124.911 121.223 0.052 0.000 2.281 311 L HA 0.336 4.666 4.340 -0.017 0.000 0.285 311 L C 0.489 177.381 176.870 0.037 0.000 1.074 311 L CA -0.579 54.320 54.840 0.097 0.000 0.817 311 L CB 0.380 42.587 42.059 0.247 0.000 1.168 311 L HN 0.428 nan 8.230 nan 0.000 0.434 312 E N 3.270 123.490 120.200 0.032 0.000 2.259 312 E HA 0.172 4.512 4.350 -0.017 0.000 0.281 312 E C -0.360 176.291 176.600 0.085 0.000 1.037 312 E CA -0.775 55.636 56.400 0.018 0.000 0.854 312 E CB 1.841 31.542 29.700 0.002 0.000 1.051 312 E HN 0.297 nan 8.360 nan 0.000 0.409 313 L N 2.090 123.381 121.223 0.112 0.000 2.490 313 L HA 0.174 4.504 4.340 -0.017 0.000 0.274 313 L C 1.368 178.284 176.870 0.076 0.000 1.201 313 L CA 1.763 56.700 54.840 0.162 0.000 0.869 313 L CB 0.245 42.411 42.059 0.178 0.000 1.123 313 L HN 0.795 nan 8.230 nan 0.000 0.484 314 G N 1.970 110.803 108.800 0.055 0.000 2.234 314 G HA2 -0.335 3.614 3.960 -0.017 0.000 0.260 314 G HA3 -0.335 3.614 3.960 -0.017 0.000 0.260 314 G C 0.776 175.688 174.900 0.020 0.000 0.987 314 G CA 0.477 45.595 45.100 0.029 0.000 0.625 314 G HN 0.802 nan 8.290 nan 0.000 0.532 315 C N -0.804 118.511 119.300 0.024 0.000 2.463 315 C HA 0.331 4.780 4.460 -0.017 0.000 0.322 315 C C 2.164 177.156 174.990 0.004 0.000 1.556 315 C CA 1.142 60.164 59.018 0.007 0.000 2.225 315 C CB -0.451 27.288 27.740 -0.001 0.000 1.995 315 C HN 0.455 nan 8.230 nan 0.000 0.678 316 D N 0.178 120.590 120.400 0.020 0.000 2.162 316 D HA 0.042 4.672 4.640 -0.017 0.000 0.205 316 D C 0.169 176.511 176.300 0.069 0.000 0.964 316 D CA 1.120 55.138 54.000 0.029 0.000 0.847 316 D CB 0.112 40.938 40.800 0.042 0.000 0.988 316 D HN 0.410 nan 8.370 nan 0.000 0.480 317 c N 1.788 120.419 118.600 0.052 0.000 2.346 317 c HA 0.511 5.070 4.570 -0.017 0.000 0.326 317 c C -0.270 173.764 174.090 -0.092 0.000 1.224 317 c CA -1.144 55.153 56.329 -0.055 0.000 1.408 317 c CB 0.777 43.222 42.510 -0.108 0.000 2.089 317 c HN 0.163 nan 8.230 nan 0.000 0.456 318 L N 4.160 125.312 121.223 -0.118 0.000 2.325 318 L HA 0.948 5.278 4.340 -0.017 0.000 0.279 318 L C 0.526 177.337 176.870 -0.097 0.000 1.054 318 L CA 1.788 56.587 54.840 -0.067 0.000 0.804 318 L CB 0.911 42.962 42.059 -0.012 0.000 1.200 318 L HN 1.112 nan 8.230 nan 0.000 0.436 319 G N 3.330 112.108 108.800 -0.038 0.000 2.428 319 G HA2 -0.151 3.799 3.960 -0.017 0.000 0.202 319 G HA3 -0.151 3.799 3.960 -0.017 0.000 0.202 319 G C -1.076 173.822 174.900 -0.004 0.000 1.247 319 G CA -0.190 44.908 45.100 -0.003 0.000 1.020 319 G HN 0.771 nan 8.290 nan 0.000 0.529 320 D N 0.854 121.274 120.400 0.033 0.000 2.422 320 D HA 0.478 5.107 4.640 -0.017 0.000 0.227 320 D C -0.262 176.065 176.300 0.044 0.000 1.190 320 D CA -0.103 53.917 54.000 0.034 0.000 0.905 320 D CB 0.280 41.103 40.800 0.039 0.000 1.034 320 D HN 0.312 nan 8.370 nan 0.000 0.507 321 I N 2.119 122.667 120.570 -0.036 0.000 2.437 321 I HA 0.190 4.350 4.170 -0.017 0.000 0.298 321 I C 0.660 176.693 176.117 -0.140 0.000 0.984 321 I CA -0.334 60.878 61.300 -0.146 0.000 1.214 321 I CB 2.068 39.791 38.000 -0.461 0.000 1.365 321 I HN 0.089 nan 8.210 nan 0.000 0.469 322 T N 5.610 120.129 114.554 -0.058 0.000 2.779 322 T HA 0.519 4.859 4.350 -0.017 0.000 0.280 322 T C -0.829 173.805 174.700 -0.110 0.000 0.987 322 T CA -0.288 61.836 62.100 0.039 0.000 0.966 322 T CB 0.298 69.342 68.868 0.294 0.000 0.933 322 T HN 0.126 nan 8.240 nan 0.000 0.442 323 Y N 1.899 122.249 120.300 0.083 0.000 2.457 323 Y HA 0.656 5.196 4.550 -0.017 0.000 0.333 323 Y C 0.165 176.080 175.900 0.024 0.000 1.119 323 Y CA -1.211 56.916 58.100 0.044 0.000 1.143 323 Y CB 1.138 39.614 38.460 0.027 0.000 1.230 323 Y HN 0.356 nan 8.280 nan 0.000 0.469 324 L N 1.403 122.732 121.223 0.177 0.000 2.362 324 L HA 0.534 4.863 4.340 -0.017 0.000 0.271 324 L C -0.621 176.254 176.870 0.009 0.000 1.002 324 L CA -0.660 54.218 54.840 0.063 0.000 0.818 324 L CB 2.014 44.078 42.059 0.009 0.000 1.298 324 L HN 0.545 nan 8.230 nan 0.000 0.420 325 S N 3.184 118.864 115.700 -0.032 0.000 2.406 325 S HA 0.316 4.776 4.470 -0.017 0.000 0.224 325 S C -2.369 172.155 174.600 -0.126 0.000 1.426 325 S CA -1.026 57.123 58.200 -0.085 0.000 1.179 325 S CB 0.719 63.889 63.200 -0.050 0.000 1.042 325 S HN 0.387 nan 8.310 nan 0.000 0.479 326 P HA 0.171 nan 4.420 nan 0.000 0.269 326 P C -0.690 176.527 177.300 -0.138 0.000 1.209 326 P CA -0.213 62.737 63.100 -0.250 0.000 0.776 326 P CB 0.753 32.050 31.700 -0.671 0.000 0.876 327 V N 4.446 124.342 119.914 -0.030 0.000 2.435 327 V HA 0.413 4.523 4.120 -0.017 0.000 0.290 327 V C 0.688 176.811 176.094 0.048 0.000 1.030 327 V CA -0.570 61.732 62.300 0.004 0.000 0.881 327 V CB 1.389 33.221 31.823 0.014 0.000 0.983 327 V HN 0.509 nan 8.190 nan 0.000 0.445 328 I N 1.458 122.049 120.570 0.035 0.000 3.294 328 I HA 0.694 4.854 4.170 -0.017 0.000 0.311 328 I C -0.249 175.865 176.117 -0.005 0.000 1.111 328 I CA -0.885 60.434 61.300 0.031 0.000 0.976 328 I CB 1.878 39.904 38.000 0.044 0.000 1.260 328 I HN 0.570 nan 8.210 nan 0.000 0.474 329 S N 1.392 117.069 115.700 -0.038 0.000 2.585 329 S HA 0.445 4.905 4.470 -0.017 0.000 0.277 329 S C -0.386 174.184 174.600 -0.050 0.000 1.241 329 S CA -0.441 57.731 58.200 -0.046 0.000 1.041 329 S CB 0.563 63.718 63.200 -0.074 0.000 0.987 329 S HN 0.798 nan 8.310 nan 0.000 0.512 330 D N 2.678 123.060 120.400 -0.030 0.000 2.478 330 D HA 0.401 5.031 4.640 -0.017 0.000 0.274 330 D C 1.183 177.403 176.300 -0.134 0.000 1.234 330 D CA -0.177 53.795 54.000 -0.047 0.000 1.069 330 D CB 0.034 40.850 40.800 0.027 0.000 1.113 330 D HN 0.473 nan 8.370 nan 0.000 0.571 331 A N -1.191 121.453 122.820 -0.292 0.000 2.178 331 A HA -0.013 4.297 4.320 -0.017 0.000 0.218 331 A C 1.361 178.569 177.584 -0.626 0.000 1.157 331 A CA 0.731 52.463 52.037 -0.508 0.000 0.689 331 A CB -0.896 17.674 19.000 -0.715 0.000 0.787 331 A HN 0.447 nan 8.150 nan 0.000 0.465 332 F N -1.762 118.191 119.950 0.004 0.000 2.678 332 F HA 0.407 4.924 4.527 -0.017 0.000 0.305 332 F C 1.729 177.521 175.800 -0.013 0.000 1.090 332 F CA 0.161 58.160 58.000 -0.000 0.000 1.272 332 F CB 0.251 39.250 39.000 -0.001 0.000 1.060 332 F HN 0.290 nan 8.300 nan 0.000 0.576 333 G N 0.175 109.020 108.800 0.075 0.000 2.176 333 G HA2 -0.248 3.701 3.960 -0.017 0.000 0.232 333 G HA3 -0.248 3.701 3.960 -0.017 0.000 0.232 333 G C 0.017 174.931 174.900 0.024 0.000 0.986 333 G CA -0.489 44.627 45.100 0.027 0.000 0.643 333 G HN 0.251 nan 8.290 nan 0.000 0.522 334 N N 2.173 120.912 118.700 0.065 0.000 2.529 334 N HA 0.410 5.139 4.740 -0.017 0.000 0.278 334 N C -2.478 173.044 175.510 0.019 0.000 1.146 334 N CA -0.988 52.089 53.050 0.045 0.000 0.980 334 N CB 1.603 40.138 38.487 0.079 0.000 1.124 334 N HN 0.208 nan 8.380 nan 0.000 0.458 335 P HA 0.181 nan 4.420 nan 0.000 0.275 335 P C -0.596 176.709 177.300 0.008 0.000 1.227 335 P CA -0.072 63.026 63.100 -0.003 0.000 0.781 335 P CB 1.223 32.915 31.700 -0.012 0.000 0.906 336 R N 1.695 122.199 120.500 0.007 0.000 2.532 336 R HA 0.263 4.593 4.340 -0.017 0.000 0.297 336 R C -0.565 175.736 176.300 0.002 0.000 0.984 336 R CA -0.604 55.503 56.100 0.011 0.000 0.884 336 R CB 1.611 31.922 30.300 0.018 0.000 1.182 336 R HN 0.494 nan 8.270 nan 0.000 0.442 337 E N 5.321 125.519 120.200 -0.004 0.000 2.216 337 E HA 0.201 4.541 4.350 -0.017 0.000 0.279 337 E C -0.723 175.859 176.600 -0.030 0.000 0.997 337 E CA -0.540 55.846 56.400 -0.023 0.000 0.817 337 E CB 1.021 30.708 29.700 -0.022 0.000 1.096 337 E HN 0.551 nan 8.360 nan 0.000 0.393 338 I N 4.900 125.430 120.570 -0.066 0.000 2.276 338 I HA 0.181 4.341 4.170 -0.017 0.000 0.290 338 I C 0.166 176.234 176.117 -0.082 0.000 1.109 338 I CA -0.654 60.606 61.300 -0.068 0.000 1.229 338 I CB 0.377 38.303 38.000 -0.124 0.000 1.452 338 I HN 0.350 nan 8.210 nan 0.000 0.497 339 R N 6.447 126.913 120.500 -0.057 0.000 2.502 339 R HA -0.002 4.327 4.340 -0.017 0.000 0.292 339 R C 0.378 176.613 176.300 -0.108 0.000 0.998 339 R CA 0.429 56.483 56.100 -0.078 0.000 1.056 339 R CB -0.210 30.047 30.300 -0.070 0.000 0.939 339 R HN 0.567 nan 8.270 nan 0.000 0.411 340 N N 2.435 121.054 118.700 -0.135 0.000 2.705 340 N HA -0.180 4.550 4.740 -0.017 0.000 0.255 340 N C 0.482 175.993 175.510 0.001 0.000 1.008 340 N CA 1.224 54.169 53.050 -0.177 0.000 0.742 340 N CB -1.224 36.880 38.487 -0.639 0.000 0.906 340 N HN 0.850 nan 8.380 nan 0.000 0.541 341 G N -1.339 107.456 108.800 -0.009 0.000 2.551 341 G HA2 0.224 4.174 3.960 -0.017 0.000 0.216 341 G HA3 0.224 4.174 3.960 -0.017 0.000 0.216 341 G C 0.409 175.360 174.900 0.085 0.000 1.137 341 G CA 0.395 45.496 45.100 0.001 0.000 0.798 341 G HN 0.338 nan 8.290 nan 0.000 0.536 342 I N 0.412 121.038 120.570 0.094 0.000 2.436 342 I HA 0.376 4.536 4.170 -0.017 0.000 0.289 342 I C -0.564 175.650 176.117 0.162 0.000 1.010 342 I CA -1.031 60.344 61.300 0.126 0.000 1.098 342 I CB 1.939 39.952 38.000 0.021 0.000 1.266 342 I HN -0.188 nan 8.210 nan 0.000 0.434 343 c N 6.742 125.409 118.600 0.111 0.000 2.358 343 c HA 0.755 5.315 4.570 -0.017 0.000 0.342 343 c C 0.003 174.083 174.090 -0.018 0.000 1.234 343 c CA -0.719 55.587 56.329 -0.038 0.000 1.969 343 c CB 0.403 42.908 42.510 -0.009 0.000 2.346 343 c HN 0.646 nan 8.230 nan 0.000 0.525 344 M N 5.432 124.989 119.600 -0.072 0.000 2.267 344 M HA 0.487 4.957 4.480 -0.017 0.000 0.289 344 M C -0.721 175.567 176.300 -0.020 0.000 1.043 344 M CA -0.131 55.076 55.300 -0.155 0.000 0.928 344 M CB 1.867 34.288 32.600 -0.298 0.000 1.613 344 M HN 0.975 nan 8.290 nan 0.000 0.450 345 H N 0.917 119.795 119.070 -0.320 0.000 2.950 345 H HA 0.484 5.030 4.556 -0.017 0.000 0.307 345 H C -2.075 173.152 175.328 -0.168 0.000 1.403 345 H CA -1.076 54.950 56.048 -0.037 0.000 1.145 345 H CB 1.035 30.808 29.762 0.018 0.000 1.844 345 H HN 0.725 nan 8.280 nan 0.000 0.515 346 E N 0.901 121.106 120.200 0.009 0.000 2.227 346 E HA 0.523 4.862 4.350 -0.017 0.000 0.268 346 E C -0.933 175.678 176.600 0.019 0.000 0.907 346 E CA -0.938 55.360 56.400 -0.171 0.000 0.786 346 E CB 2.833 32.584 29.700 0.085 0.000 1.191 346 E HN 0.710 nan 8.360 nan 0.000 0.411 347 E N 2.030 122.216 120.200 -0.023 0.000 2.340 347 E HA 0.261 4.601 4.350 -0.017 0.000 0.273 347 E C -1.331 175.385 176.600 0.192 0.000 0.891 347 E CA -1.035 55.437 56.400 0.120 0.000 0.757 347 E CB 1.599 31.379 29.700 0.134 0.000 1.231 347 E HN 0.526 nan 8.360 nan 0.000 0.439 348 D N 1.538 122.066 120.400 0.213 0.000 2.443 348 D HA -0.072 4.558 4.640 -0.017 0.000 0.239 348 D C -0.967 175.541 176.300 0.346 0.000 1.136 348 D CA 0.144 54.281 54.000 0.229 0.000 0.879 348 D CB 0.530 41.414 40.800 0.139 0.000 1.195 348 D HN 0.531 nan 8.370 nan 0.000 0.443 349 W N 5.846 127.188 121.300 0.070 0.000 1.380 349 W HA 0.371 5.021 4.660 -0.018 0.000 0.298 349 W C 0.333 176.888 176.519 0.060 0.000 0.837 349 W CA 0.033 57.419 57.345 0.068 0.000 2.343 349 W CB 0.128 29.673 29.460 0.142 0.000 2.070 349 W HN 0.849 nan 8.180 nan 0.000 0.500 350 G N 2.004 110.743 108.800 -0.102 0.000 2.574 350 G HA2 -0.342 3.608 3.960 -0.017 0.000 0.282 350 G HA3 -0.342 3.608 3.960 -0.017 0.000 0.282 350 G C -0.259 174.628 174.900 -0.020 0.000 1.257 350 G CA 0.025 45.049 45.100 -0.127 0.000 0.956 350 G HN 0.110 nan 8.290 nan 0.000 0.560 351 I N 1.316 121.864 120.570 -0.037 0.000 2.496 351 I HA 0.204 4.364 4.170 -0.017 0.000 0.285 351 I C 1.574 177.725 176.117 0.056 0.000 1.080 351 I CA -0.061 61.244 61.300 0.010 0.000 1.404 351 I CB 0.850 38.847 38.000 -0.005 0.000 1.403 351 I HN 0.623 nan 8.210 nan 0.000 0.539 352 L N 6.522 127.796 121.223 0.085 0.000 2.200 352 L HA 0.472 4.802 4.340 -0.017 0.000 0.200 352 L C 0.619 177.553 176.870 0.106 0.000 1.072 352 L CA 1.047 55.958 54.840 0.118 0.000 0.787 352 L CB 0.105 42.243 42.059 0.132 0.000 0.957 352 L HN 0.704 nan 8.230 nan 0.000 0.459 353 A N -0.425 122.469 122.820 0.123 0.000 2.589 353 A HA 0.658 4.968 4.320 -0.017 0.000 0.296 353 A C -1.130 176.581 177.584 0.211 0.000 1.062 353 A CA -0.590 51.545 52.037 0.164 0.000 0.686 353 A CB 1.113 20.249 19.000 0.226 0.000 1.282 353 A HN 0.067 nan 8.150 nan 0.000 0.404 354 K N 1.019 121.540 120.400 0.202 0.000 2.557 354 K HA 0.574 4.884 4.320 -0.017 0.000 0.257 354 K C -2.219 174.524 176.600 0.238 0.000 0.933 354 K CA -0.509 55.909 56.287 0.218 0.000 0.820 354 K CB 1.734 34.299 32.500 0.107 0.000 1.330 354 K HN 1.099 nan 8.250 nan 0.000 0.432 355 H N 0.361 119.503 119.070 0.119 0.000 3.137 355 H HA 0.366 4.911 4.556 -0.018 0.000 0.336 355 H C -1.936 173.416 175.328 0.040 0.000 1.055 355 H CA -0.368 55.703 56.048 0.038 0.000 1.349 355 H CB 1.879 31.632 29.762 -0.016 0.000 1.939 355 H HN 0.422 nan 8.280 nan 0.000 0.487 356 S N 4.184 119.542 115.700 -0.570 0.000 2.532 356 S HA 0.166 4.626 4.470 -0.017 0.000 0.318 356 S C -0.733 173.431 174.600 -0.727 0.000 1.083 356 S CA -0.666 57.265 58.200 -0.448 0.000 1.131 356 S CB 0.396 63.463 63.200 -0.221 0.000 0.973 356 S HN 0.650 nan 8.310 nan 0.000 0.468 357 D N 2.133 122.164 120.400 -0.614 0.000 2.280 357 D HA 0.290 4.919 4.640 -0.017 0.000 0.243 357 D C 0.972 177.157 176.300 -0.192 0.000 1.129 357 D CA -0.567 53.204 54.000 -0.381 0.000 0.848 357 D CB 0.854 41.608 40.800 -0.076 0.000 1.107 357 D HN 0.259 nan 8.370 nan 0.000 0.471 358 L N 5.537 126.614 121.223 -0.244 0.000 2.005 358 L HA -0.025 4.305 4.340 -0.017 0.000 0.207 358 L C 1.459 178.332 176.870 0.006 0.000 1.072 358 L CA 1.562 56.300 54.840 -0.171 0.000 0.744 358 L CB -0.480 41.404 42.059 -0.292 0.000 0.895 358 L HN 0.606 nan 8.230 nan 0.000 0.433 359 W N -0.047 121.259 121.300 0.010 0.000 2.338 359 W HA -0.140 4.516 4.660 -0.006 0.000 0.304 359 W C 2.985 179.509 176.519 0.008 0.000 1.212 359 W CA 1.616 58.968 57.345 0.011 0.000 1.264 359 W CB -1.819 27.652 29.460 0.019 0.000 1.142 359 W HN 0.556 nan 8.180 nan 0.000 0.512 360 S N -1.046 114.788 115.700 0.223 0.000 2.478 360 S HA 0.283 4.743 4.470 -0.017 0.000 0.222 360 S C 1.815 176.462 174.600 0.078 0.000 1.008 360 S CA 0.953 59.234 58.200 0.134 0.000 0.928 360 S CB -0.071 63.199 63.200 0.117 0.000 0.781 360 S HN 0.435 nan 8.310 nan 0.000 0.518 361 G N 1.105 109.935 108.800 0.050 0.000 2.184 361 G HA2 -0.196 3.754 3.960 -0.017 0.000 0.264 361 G HA3 -0.196 3.754 3.960 -0.017 0.000 0.264 361 G C 0.002 174.907 174.900 0.008 0.000 0.975 361 G CA 0.256 45.368 45.100 0.021 0.000 0.642 361 G HN 0.509 nan 8.290 nan 0.000 0.536 362 I N 1.408 121.987 120.570 0.014 0.000 2.371 362 I HA 0.299 4.459 4.170 -0.017 0.000 0.290 362 I C -0.344 175.774 176.117 0.002 0.000 1.028 362 I CA -0.788 60.528 61.300 0.027 0.000 1.345 362 I CB 1.011 39.046 38.000 0.059 0.000 1.407 362 I HN 0.005 nan 8.210 nan 0.000 0.501 363 N N 6.761 125.473 118.700 0.020 0.000 2.446 363 N HA 0.241 4.970 4.740 -0.017 0.000 0.265 363 N C -1.097 174.473 175.510 0.099 0.000 0.975 363 N CA -0.368 52.689 53.050 0.012 0.000 0.928 363 N CB 1.889 40.365 38.487 -0.018 0.000 1.160 363 N HN 0.452 nan 8.380 nan 0.000 0.495 364 Y N 1.304 121.588 120.300 -0.027 0.000 2.364 364 Y HA 0.478 5.019 4.550 -0.015 0.000 0.340 364 Y C -0.817 175.089 175.900 0.011 0.000 0.975 364 Y CA -0.286 57.817 58.100 0.006 0.000 1.089 364 Y CB 1.513 39.994 38.460 0.034 0.000 1.192 364 Y HN 0.309 nan 8.280 nan 0.000 0.454 365 T N 7.004 121.413 114.554 -0.241 0.000 2.971 365 T HA 0.573 4.912 4.350 -0.017 0.000 0.304 365 T C -1.272 173.240 174.700 -0.313 0.000 1.038 365 T CA -0.994 61.013 62.100 -0.156 0.000 1.007 365 T CB 1.137 69.960 68.868 -0.075 0.000 1.055 365 T HN 0.414 nan 8.240 nan 0.000 0.451 366 R N 1.879 122.274 120.500 -0.175 0.000 2.673 366 R HA 0.540 4.870 4.340 -0.017 0.000 0.281 366 R C -0.483 175.808 176.300 -0.015 0.000 0.991 366 R CA -0.837 55.183 56.100 -0.134 0.000 0.896 366 R CB 2.386 32.621 30.300 -0.109 0.000 1.201 366 R HN 0.554 nan 8.270 nan 0.000 0.457 367 R N 1.067 121.570 120.500 0.005 0.000 2.536 367 R HA 0.346 4.676 4.340 -0.017 0.000 0.279 367 R C 0.182 176.550 176.300 0.114 0.000 1.001 367 R CA -0.829 55.303 56.100 0.053 0.000 1.027 367 R CB 0.980 31.308 30.300 0.047 0.000 1.096 367 R HN 0.383 nan 8.270 nan 0.000 0.502 368 N N 0.796 119.600 118.700 0.173 0.000 2.485 368 N HA 0.424 5.153 4.740 -0.017 0.000 0.280 368 N C -0.990 174.727 175.510 0.345 0.000 1.205 368 N CA -0.384 52.835 53.050 0.281 0.000 0.959 368 N CB 1.171 39.879 38.487 0.368 0.000 1.206 368 N HN 0.426 nan 8.380 nan 0.000 0.545 369 R N -0.310 120.445 120.500 0.424 0.000 2.692 369 R HA 0.477 4.807 4.340 -0.017 0.000 0.269 369 R C -1.000 175.541 176.300 0.402 0.000 1.030 369 R CA -0.853 55.504 56.100 0.428 0.000 0.882 369 R CB 2.219 32.809 30.300 0.483 0.000 1.250 369 R HN 0.707 nan 8.270 nan 0.000 0.465 370 R N 0.871 121.401 120.500 0.049 0.000 2.651 370 R HA 0.539 4.869 4.340 -0.017 0.000 0.278 370 R C -1.191 174.614 176.300 -0.825 0.000 1.010 370 R CA -1.026 54.792 56.100 -0.469 0.000 0.896 370 R CB 1.695 31.321 30.300 -1.123 0.000 1.211 370 R HN 0.408 nan 8.270 nan 0.000 0.456 371 M N 2.756 121.549 119.600 -1.345 0.000 2.180 371 M HA 0.311 4.781 4.480 -0.017 0.000 0.358 371 M C -1.463 174.341 176.300 -0.827 0.000 1.233 371 M CA -0.485 53.969 55.300 -1.410 0.000 1.114 371 M CB 1.586 33.196 32.600 -1.650 0.000 1.594 371 M HN 0.528 nan 8.290 nan 0.000 0.467 372 V N 6.702 126.171 119.914 -0.743 0.000 2.540 372 V HA 0.583 4.693 4.120 -0.017 0.000 0.302 372 V C -0.630 175.231 176.094 -0.388 0.000 1.035 372 V CA -0.729 61.289 62.300 -0.469 0.000 0.873 372 V CB 1.742 33.259 31.823 -0.511 0.000 0.992 372 V HN 0.653 nan 8.190 nan 0.000 0.428 373 I N 4.573 125.007 120.570 -0.227 0.000 2.439 373 I HA 0.657 4.817 4.170 -0.017 0.000 0.285 373 I C 0.022 176.134 176.117 -0.008 0.000 1.021 373 I CA 0.003 61.231 61.300 -0.121 0.000 1.091 373 I CB 1.595 39.526 38.000 -0.117 0.000 1.242 373 I HN 0.829 nan 8.210 nan 0.000 0.439 374 S N 6.090 121.791 115.700 0.002 0.000 2.638 374 S HA 0.911 5.371 4.470 -0.017 0.000 0.274 374 S C -0.973 173.712 174.600 0.141 0.000 1.157 374 S CA -0.670 57.480 58.200 -0.083 0.000 0.826 374 S CB 2.993 65.824 63.200 -0.615 0.000 1.139 374 S HN 0.481 nan 8.310 nan 0.000 0.474 375 F N -1.200 118.697 119.950 -0.088 0.000 2.686 375 F HA 0.902 5.419 4.527 -0.017 0.000 0.311 375 F C -2.221 173.661 175.800 0.137 0.000 1.128 375 F CA -1.629 56.419 58.000 0.081 0.000 0.946 375 F CB 0.948 40.041 39.000 0.155 0.000 1.336 375 F HN 0.628 nan 8.300 nan 0.000 0.457 376 F N 0.857 120.848 119.950 0.068 0.000 2.556 376 F HA 0.674 5.191 4.527 -0.017 0.000 0.314 376 F C -0.263 175.660 175.800 0.204 0.000 1.106 376 F CA -0.373 57.640 58.000 0.022 0.000 0.911 376 F CB 2.303 41.345 39.000 0.069 0.000 1.190 376 F HN 0.884 nan 8.300 nan 0.000 0.448 377 T N 2.158 116.953 114.554 0.402 0.000 2.916 377 T HA 0.699 5.039 4.350 -0.017 0.000 0.292 377 T C -1.199 173.745 174.700 0.408 0.000 1.055 377 T CA -0.307 62.075 62.100 0.471 0.000 1.009 377 T CB 1.446 70.626 68.868 0.522 0.000 1.118 377 T HN 0.566 nan 8.240 nan 0.000 0.497 378 T N 3.427 118.182 114.554 0.335 0.000 2.881 378 T HA 0.586 4.925 4.350 -0.017 0.000 0.291 378 T C -0.678 174.059 174.700 0.062 0.000 0.990 378 T CA -0.407 61.791 62.100 0.164 0.000 0.976 378 T CB 0.432 69.372 68.868 0.119 0.000 0.970 378 T HN 0.494 nan 8.240 nan 0.000 0.438 379 I N 3.424 123.963 120.570 -0.051 0.000 2.495 379 I HA 0.466 4.625 4.170 -0.017 0.000 0.277 379 I C 1.106 177.034 176.117 -0.315 0.000 1.045 379 I CA -0.317 60.843 61.300 -0.234 0.000 1.135 379 I CB 0.776 38.685 38.000 -0.150 0.000 1.241 379 I HN 0.939 nan 8.210 nan 0.000 0.469 380 G N 6.288 114.896 108.800 -0.319 0.000 2.574 380 G HA2 -0.315 3.635 3.960 -0.017 0.000 0.301 380 G HA3 -0.315 3.635 3.960 -0.017 0.000 0.301 380 G C 0.200 174.969 174.900 -0.219 0.000 1.166 380 G CA 0.432 45.412 45.100 -0.200 0.000 0.971 380 G HN 0.694 nan 8.290 nan 0.000 0.542 384 Y N 0.386 120.730 120.300 0.073 0.000 2.409 384 Y HA 0.722 5.262 4.550 -0.017 0.000 0.343 384 Y C 0.793 176.084 175.900 -1.015 0.000 0.973 384 Y CA -1.089 56.834 58.100 -0.296 0.000 1.064 384 Y CB 2.457 40.887 38.460 -0.050 0.000 1.207 384 Y HN 0.435 nan 8.280 nan 0.000 0.452 385 G N 2.310 110.355 108.800 -1.259 0.000 2.372 385 G HA2 0.582 4.532 3.960 -0.017 0.000 0.323 385 G HA3 0.582 4.532 3.960 -0.017 0.000 0.323 385 G C -1.696 172.799 174.900 -0.675 0.000 1.152 385 G CA -0.414 43.841 45.100 -1.408 0.000 0.906 385 G HN 0.325 nan 8.290 nan 0.000 0.460 386 F N 1.596 121.020 119.950 -0.877 0.000 2.402 386 F HA 0.485 5.002 4.527 -0.017 0.000 0.355 386 F C -0.688 174.702 175.800 -0.683 0.000 1.123 386 F CA -0.929 56.737 58.000 -0.556 0.000 1.021 386 F CB 1.727 40.543 39.000 -0.307 0.000 1.160 386 F HN 0.308 nan 8.300 nan 0.000 0.451 387 Y N 1.440 121.290 120.300 -0.749 0.000 2.350 387 Y HA 0.448 4.988 4.550 -0.017 0.000 0.338 387 Y C -1.075 174.095 175.900 -1.217 0.000 0.961 387 Y CA -1.535 56.074 58.100 -0.819 0.000 1.100 387 Y CB 1.380 39.303 38.460 -0.894 0.000 1.179 387 Y HN 0.517 nan 8.280 nan 0.000 0.454 388 W N 3.385 124.328 121.300 -0.596 0.000 2.587 388 W HA 0.622 5.271 4.660 -0.018 0.000 0.324 388 W C -1.440 174.649 176.519 -0.718 0.000 1.040 388 W CA -0.755 56.267 57.345 -0.538 0.000 1.222 388 W CB 1.197 30.520 29.460 -0.229 0.000 1.381 388 W HN 0.323 nan 8.180 nan 0.000 0.483 389 Y N 2.807 123.009 120.300 -0.163 0.000 2.462 389 Y HA 0.677 5.217 4.550 -0.017 0.000 0.346 389 Y C -0.302 175.291 175.900 -0.511 0.000 0.976 389 Y CA -1.684 56.130 58.100 -0.475 0.000 1.044 389 Y CB 1.229 39.291 38.460 -0.663 0.000 1.230 389 Y HN 0.065 nan 8.280 nan 0.000 0.455 390 L N 3.790 124.669 121.223 -0.573 0.000 2.356 390 L HA 0.527 4.857 4.340 -0.017 0.000 0.277 390 L C -1.267 175.404 176.870 -0.331 0.000 0.996 390 L CA -0.849 53.601 54.840 -0.650 0.000 0.822 390 L CB 1.413 42.749 42.059 -1.204 0.000 1.256 390 L HN 0.602 nan 8.230 nan 0.000 0.413 391 Y N 1.839 122.294 120.300 0.258 0.000 2.496 391 Y HA 0.323 4.863 4.550 -0.017 0.000 0.331 391 Y C 1.190 177.540 175.900 0.751 0.000 1.140 391 Y CA -0.734 57.627 58.100 0.434 0.000 1.166 391 Y CB 1.477 40.081 38.460 0.240 0.000 1.249 391 Y HN 0.443 nan 8.280 nan 0.000 0.479 392 L N 0.700 122.346 121.223 0.706 0.000 2.079 392 L HA -0.215 4.115 4.340 -0.017 0.000 0.210 392 L C 1.729 178.830 176.870 0.386 0.000 1.081 392 L CA 1.759 56.872 54.840 0.455 0.000 0.752 392 L CB -0.327 41.886 42.059 0.257 0.000 0.896 392 L HN 0.771 nan 8.230 nan 0.000 0.433 393 D N -0.437 120.170 120.400 0.345 0.000 2.363 393 D HA -0.023 4.607 4.640 -0.017 0.000 0.226 393 D C 1.417 177.796 176.300 0.132 0.000 1.020 393 D CA 0.925 55.017 54.000 0.153 0.000 0.892 393 D CB 0.265 41.135 40.800 0.116 0.000 0.900 393 D HN 0.366 nan 8.370 nan 0.000 0.531 394 G N -0.605 108.441 108.800 0.410 0.000 2.195 394 G HA2 -0.241 3.708 3.960 -0.017 0.000 0.224 394 G HA3 -0.241 3.708 3.960 -0.017 0.000 0.224 394 G C 0.422 175.811 174.900 0.814 0.000 0.990 394 G CA 0.176 45.565 45.100 0.480 0.000 0.639 394 G HN 0.455 nan 8.290 nan 0.000 0.514 395 T N 1.422 116.361 114.554 0.642 0.000 2.930 395 T HA 0.540 4.880 4.350 -0.017 0.000 0.306 395 T C 0.517 175.578 174.700 0.602 0.000 1.045 395 T CA 0.519 62.937 62.100 0.530 0.000 1.134 395 T CB 1.196 70.191 68.868 0.211 0.000 0.961 395 T HN 0.346 nan 8.240 nan 0.000 0.545 396 I N 2.535 123.376 120.570 0.453 0.000 2.465 396 I HA 0.499 4.659 4.170 -0.017 0.000 0.291 396 I C 0.082 176.344 176.117 0.242 0.000 1.014 396 I CA -0.631 60.830 61.300 0.269 0.000 1.093 396 I CB 1.932 40.056 38.000 0.208 0.000 1.267 396 I HN 0.616 nan 8.210 nan 0.000 0.431 397 E N 5.617 125.919 120.200 0.170 0.000 2.383 397 E HA 0.499 4.839 4.350 -0.017 0.000 0.275 397 E C -2.049 174.368 176.600 -0.304 0.000 0.918 397 E CA -0.636 55.755 56.400 -0.015 0.000 0.764 397 E CB 2.787 32.614 29.700 0.211 0.000 1.252 397 E HN 0.416 nan 8.360 nan 0.000 0.449 398 F N 2.246 121.615 119.950 -0.969 0.000 2.551 398 F HA 0.528 5.045 4.527 -0.017 0.000 0.316 398 F C -1.210 174.020 175.800 -0.950 0.000 1.089 398 F CA -0.486 56.723 58.000 -1.319 0.000 0.915 398 F CB 1.843 39.685 39.000 -1.931 0.000 1.186 398 F HN 0.517 nan 8.300 nan 0.000 0.456 399 E N 4.183 123.216 120.200 -1.944 0.000 2.290 399 E HA 0.696 5.036 4.350 -0.017 0.000 0.274 399 E C -1.930 173.795 176.600 -1.458 0.000 0.889 399 E CA -0.970 54.689 56.400 -1.235 0.000 0.760 399 E CB 1.816 31.191 29.700 -0.542 0.000 1.206 399 E HN 0.872 nan 8.360 nan 0.000 0.419 400 A N 4.413 126.653 122.820 -0.967 0.000 2.317 400 A HA 0.582 4.892 4.320 -0.017 0.000 0.327 400 A C -0.837 176.482 177.584 -0.441 0.000 1.178 400 A CA -0.707 50.851 52.037 -0.798 0.000 0.817 400 A CB 0.880 19.287 19.000 -0.988 0.000 1.189 400 A HN 0.546 nan 8.150 nan 0.000 0.489 401 K N 1.594 121.793 120.400 -0.335 0.000 2.450 401 K HA 0.577 4.887 4.320 -0.017 0.000 0.257 401 K C -0.720 175.832 176.600 -0.079 0.000 0.953 401 K CA -0.326 55.861 56.287 -0.166 0.000 0.844 401 K CB 2.173 34.624 32.500 -0.082 0.000 1.103 401 K HN 0.738 nan 8.250 nan 0.000 0.429 402 A N 2.460 125.260 122.820 -0.033 0.000 2.276 402 A HA 0.593 4.903 4.320 -0.017 0.000 0.316 402 A C -0.090 177.458 177.584 -0.061 0.000 1.229 402 A CA -0.250 51.772 52.037 -0.026 0.000 0.851 402 A CB 1.344 20.281 19.000 -0.104 0.000 1.165 402 A HN 0.687 nan 8.150 nan 0.000 0.513 403 T N 0.774 115.279 114.554 -0.080 0.000 2.587 403 T HA 0.799 5.138 4.350 -0.017 0.000 0.282 403 T C 0.354 174.975 174.700 -0.133 0.000 1.018 403 T CA 1.040 63.106 62.100 -0.057 0.000 1.120 403 T CB 0.666 69.547 68.868 0.021 0.000 1.538 403 T HN 2.659 nan 8.240 nan 0.000 0.480 404 G N -0.159 108.556 108.800 -0.142 0.000 2.451 404 G HA2 0.044 3.993 3.960 -0.017 0.000 0.208 404 G HA3 0.044 3.993 3.960 -0.017 0.000 0.208 404 G C -1.242 173.528 174.900 -0.216 0.000 1.248 404 G CA -0.207 44.771 45.100 -0.202 0.000 0.989 404 G HN 1.339 nan 8.290 nan 0.000 0.559 405 V N 1.244 120.989 119.914 -0.282 0.000 2.495 405 V HA 0.615 4.725 4.120 -0.017 0.000 0.298 405 V C 1.100 177.083 176.094 -0.185 0.000 1.031 405 V CA -0.124 62.028 62.300 -0.247 0.000 0.871 405 V CB 1.184 32.769 31.823 -0.397 0.000 0.988 405 V HN 1.659 nan 8.190 nan 0.000 0.432 406 V N 2.205 122.165 119.914 0.078 0.000 2.843 406 V HA 0.340 4.450 4.120 -0.017 0.000 0.305 406 V C -0.107 176.049 176.094 0.104 0.000 1.065 406 V CA -0.282 62.109 62.300 0.152 0.000 1.116 406 V CB 0.171 32.150 31.823 0.261 0.000 0.968 406 V HN 0.613 nan 8.190 nan 0.000 0.487 407 F N 4.558 124.504 119.950 -0.006 0.000 2.504 407 F HA 0.496 5.013 4.527 -0.017 0.000 0.369 407 F C 1.014 176.912 175.800 0.164 0.000 1.082 407 F CA 0.507 58.532 58.000 0.041 0.000 1.216 407 F CB 0.772 39.778 39.000 0.010 0.000 1.108 407 F HN 1.003 nan 8.300 nan 0.000 0.554 408 T N 1.671 116.223 114.554 -0.003 0.000 2.937 408 T HA 0.841 5.181 4.350 -0.017 0.000 0.283 408 T C -0.220 174.535 174.700 0.092 0.000 1.012 408 T CA -0.239 61.917 62.100 0.093 0.000 0.997 408 T CB 1.625 70.530 68.868 0.061 0.000 1.136 408 T HN 0.726 nan 8.240 nan 0.000 0.551 409 S N -0.570 115.144 115.700 0.023 0.000 2.727 409 S HA 0.786 5.245 4.470 -0.017 0.000 0.278 409 S C -0.626 173.923 174.600 -0.085 0.000 1.186 409 S CA -0.791 57.371 58.200 -0.063 0.000 0.836 409 S CB 0.766 63.933 63.200 -0.056 0.000 1.186 409 S HN 1.411 nan 8.310 nan 0.000 0.499 410 A N 0.360 123.077 122.820 -0.172 0.000 2.286 410 A HA 0.729 5.038 4.320 -0.017 0.000 0.286 410 A C -0.898 176.702 177.584 0.027 0.000 1.097 410 A CA -0.458 51.537 52.037 -0.069 0.000 0.821 410 A CB -0.008 18.930 19.000 -0.103 0.000 1.076 410 A HN 0.992 nan 8.150 nan 0.000 0.490 411 F N 3.672 123.605 119.950 -0.029 0.000 2.361 411 F HA 0.466 4.983 4.527 -0.017 0.000 0.364 411 F C -1.808 174.023 175.800 0.052 0.000 1.120 411 F CA -2.697 55.294 58.000 -0.015 0.000 1.102 411 F CB 1.011 39.995 39.000 -0.028 0.000 1.183 411 F HN 0.369 nan 8.300 nan 0.000 0.476 412 P HA -0.061 nan 4.420 nan 0.000 0.265 412 P C 0.547 177.676 177.300 -0.286 0.000 1.187 412 P CA 0.260 63.220 63.100 -0.234 0.000 0.766 412 P CB 0.853 32.413 31.700 -0.234 0.000 0.820 413 E N 2.672 122.817 120.200 -0.092 0.000 2.086 413 E HA -0.184 4.156 4.350 -0.017 0.000 0.200 413 E C 1.724 178.293 176.600 -0.051 0.000 1.012 413 E CA 1.723 58.100 56.400 -0.039 0.000 0.812 413 E CB -0.590 29.091 29.700 -0.033 0.000 0.743 413 E HN 0.727 nan 8.360 nan 0.000 0.453 414 G N -0.316 108.429 108.800 -0.092 0.000 3.262 414 G HA2 0.391 4.341 3.960 -0.017 0.000 0.228 414 G HA3 0.391 4.341 3.960 -0.017 0.000 0.228 414 G C 0.399 175.244 174.900 -0.092 0.000 1.197 414 G CA 0.287 45.348 45.100 -0.065 0.000 0.819 414 G HN 0.593 nan 8.290 nan 0.000 0.531 415 G N -1.104 107.565 108.800 -0.219 0.000 2.728 415 G HA2 0.250 4.200 3.960 -0.017 0.000 0.294 415 G HA3 0.250 4.200 3.960 -0.017 0.000 0.294 415 G C -0.392 174.296 174.900 -0.354 0.000 1.342 415 G CA -0.007 44.943 45.100 -0.250 0.000 0.866 415 G HN 1.350 nan 8.290 nan 0.000 0.534 416 S N -1.324 114.255 115.700 -0.202 0.000 2.543 416 S HA 0.586 5.046 4.470 -0.017 0.000 0.274 416 S C -0.300 174.267 174.600 -0.054 0.000 1.149 416 S CA 0.408 58.504 58.200 -0.174 0.000 0.866 416 S CB 1.691 64.714 63.200 -0.295 0.000 1.111 416 S HN 0.622 nan 8.310 nan 0.000 0.457 417 D N 2.508 122.876 120.400 -0.053 0.000 2.339 417 D HA 0.176 4.806 4.640 -0.017 0.000 0.217 417 D C 0.327 176.614 176.300 -0.021 0.000 1.050 417 D CA 0.479 54.497 54.000 0.030 0.000 0.856 417 D CB 0.022 40.851 40.800 0.048 0.000 0.922 417 D HN 0.617 nan 8.370 nan 0.000 0.518 418 N N -0.555 117.956 118.700 -0.316 0.000 2.184 418 N HA 0.222 4.951 4.740 -0.017 0.000 0.234 418 N C -0.752 174.001 175.510 -1.261 0.000 1.282 418 N CA -0.075 52.572 53.050 -0.671 0.000 0.877 418 N CB 1.415 39.766 38.487 -0.228 0.000 1.184 418 N HN -0.069 nan 8.380 nan 0.000 0.510 419 I N 0.121 120.080 120.570 -1.018 0.000 2.752 419 I HA 0.313 4.473 4.170 -0.017 0.000 0.295 419 I C -0.630 175.468 176.117 -0.032 0.000 1.219 419 I CA -0.835 60.160 61.300 -0.509 0.000 1.030 419 I CB 2.120 40.041 38.000 -0.131 0.000 1.259 419 I HN -0.050 nan 8.210 nan 0.000 0.423 420 S N 3.658 119.495 115.700 0.227 0.000 2.638 420 S HA 0.683 5.143 4.470 -0.017 0.000 0.298 420 S C -0.654 173.941 174.600 -0.008 0.000 1.111 420 S CA -0.858 57.513 58.200 0.284 0.000 1.027 420 S CB 1.786 65.214 63.200 0.379 0.000 1.064 420 S HN 0.634 nan 8.310 nan 0.000 0.525 421 Q N 0.710 120.227 119.800 -0.472 0.000 2.274 421 Q HA 0.451 4.781 4.340 -0.017 0.000 0.256 421 Q C -0.140 175.644 176.000 -0.361 0.000 0.927 421 Q CA -0.503 54.822 55.803 -0.796 0.000 0.939 421 Q CB 0.762 28.616 28.738 -1.474 0.000 1.201 421 Q HN 0.849 nan 8.270 nan 0.000 0.426 422 L N 2.020 123.054 121.223 -0.315 0.000 2.425 422 L HA 0.509 4.839 4.340 -0.017 0.000 0.215 422 L C 0.432 177.143 176.870 -0.264 0.000 1.065 422 L CA 0.115 54.802 54.840 -0.256 0.000 0.842 422 L CB 0.474 42.287 42.059 -0.409 0.000 1.033 422 L HN 0.605 nan 8.230 nan 0.000 0.474 423 A N -1.087 121.541 122.820 -0.321 0.000 2.602 423 A HA 0.642 4.951 4.320 -0.017 0.000 0.290 423 A C -2.701 174.793 177.584 -0.149 0.000 1.114 423 A CA -1.145 50.776 52.037 -0.193 0.000 0.683 423 A CB 0.475 19.349 19.000 -0.211 0.000 1.281 423 A HN -0.225 nan 8.150 nan 0.000 0.416 424 P HA 0.239 nan 4.420 nan 0.000 0.255 424 P C 0.996 178.297 177.300 0.002 0.000 1.173 424 P CA 2.475 65.562 63.100 -0.023 0.000 0.780 424 P CB 0.144 31.849 31.700 0.008 0.000 0.758 425 G N 2.311 111.139 108.800 0.046 0.000 2.184 425 G HA2 -0.277 3.673 3.960 -0.017 0.000 0.264 425 G HA3 -0.277 3.673 3.960 -0.017 0.000 0.264 425 G C -0.183 174.766 174.900 0.082 0.000 0.975 425 G CA -0.136 45.032 45.100 0.113 0.000 0.642 425 G HN 0.567 nan 8.290 nan 0.000 0.536 426 L N 1.639 122.841 121.223 -0.034 0.000 2.272 426 L HA 0.805 5.135 4.340 -0.017 0.000 0.289 426 L C 0.663 177.463 176.870 -0.117 0.000 1.032 426 L CA 0.143 54.903 54.840 -0.133 0.000 0.810 426 L CB 1.174 43.021 42.059 -0.354 0.000 1.205 426 L HN 0.368 nan 8.230 nan 0.000 0.422 427 G N 3.344 112.143 108.800 -0.003 0.000 2.537 427 G HA2 0.783 4.733 3.960 -0.017 0.000 0.323 427 G HA3 0.783 4.733 3.960 -0.017 0.000 0.323 427 G C -1.604 173.313 174.900 0.029 0.000 1.207 427 G CA -0.354 44.803 45.100 0.095 0.000 0.976 427 G HN 0.944 nan 8.290 nan 0.000 0.487 428 A N 1.163 124.039 122.820 0.095 0.000 2.457 428 A HA 0.748 5.058 4.320 -0.017 0.000 0.283 428 A C -2.848 174.863 177.584 0.211 0.000 1.166 428 A CA -1.295 50.832 52.037 0.150 0.000 0.740 428 A CB 1.637 20.718 19.000 0.135 0.000 1.181 428 A HN 0.399 nan 8.150 nan 0.000 0.446 429 P HA 0.185 nan 4.420 nan 0.000 0.266 429 P C -0.365 177.169 177.300 0.390 0.000 1.195 429 P CA 0.248 63.476 63.100 0.212 0.000 0.768 429 P CB 0.164 32.037 31.700 0.289 0.000 0.838 430 F N 3.517 123.536 119.950 0.115 0.000 2.506 430 F HA 0.216 4.733 4.527 -0.017 0.000 0.351 430 F C 1.637 177.306 175.800 -0.218 0.000 1.136 430 F CA 0.488 58.430 58.000 -0.097 0.000 1.298 430 F CB -0.427 38.526 39.000 -0.078 0.000 1.145 430 F HN 0.501 nan 8.300 nan 0.000 0.593 431 H N -0.376 118.488 119.070 -0.344 0.000 2.902 431 H HA 0.492 5.038 4.556 -0.017 0.000 0.297 431 H C -1.817 173.175 175.328 -0.560 0.000 1.406 431 H CA -1.112 54.534 56.048 -0.670 0.000 1.134 431 H CB 1.375 30.277 29.762 -1.434 0.000 1.833 431 H HN 0.583 nan 8.280 nan 0.000 0.527 432 Q N 0.097 119.571 119.800 -0.543 0.000 2.458 432 Q HA 0.388 4.717 4.340 -0.017 0.000 0.282 432 Q C -1.104 174.607 176.000 -0.480 0.000 1.106 432 Q CA -0.984 54.557 55.803 -0.436 0.000 0.814 432 Q CB 2.913 31.463 28.738 -0.314 0.000 1.425 432 Q HN 0.533 nan 8.270 nan 0.000 0.437 433 H N 1.369 120.351 119.070 -0.146 0.000 2.860 433 H HA 0.445 4.991 4.556 -0.017 0.000 0.312 433 H C -0.932 174.185 175.328 -0.351 0.000 0.995 433 H CA -0.211 55.699 56.048 -0.230 0.000 1.311 433 H CB 0.706 30.433 29.762 -0.057 0.000 1.478 433 H HN 0.449 nan 8.280 nan 0.000 0.508 434 I N 4.017 124.340 120.570 -0.412 0.000 2.406 434 I HA 0.256 4.415 4.170 -0.017 0.000 0.290 434 I C -0.547 175.272 176.117 -0.495 0.000 0.999 434 I CA -0.623 60.468 61.300 -0.349 0.000 1.124 434 I CB 1.133 38.976 38.000 -0.262 0.000 1.289 434 I HN 0.189 nan 8.210 nan 0.000 0.441 435 F N 3.027 122.700 119.950 -0.461 0.000 2.483 435 F HA 0.554 5.071 4.527 -0.017 0.000 0.329 435 F C 0.587 176.177 175.800 -0.348 0.000 1.064 435 F CA -0.890 56.806 58.000 -0.506 0.000 0.986 435 F CB 1.753 40.161 39.000 -0.986 0.000 1.218 435 F HN 0.260 nan 8.300 nan 0.000 0.484 436 S N 1.010 116.753 115.700 0.072 0.000 2.707 436 S HA 0.771 5.231 4.470 -0.017 0.000 0.303 436 S C -0.973 173.734 174.600 0.179 0.000 1.132 436 S CA -0.540 57.737 58.200 0.128 0.000 1.046 436 S CB 0.510 63.639 63.200 -0.118 0.000 1.004 436 S HN 0.845 nan 8.310 nan 0.000 0.483 437 A N 4.800 127.777 122.820 0.261 0.000 2.260 437 A HA 0.614 4.923 4.320 -0.017 0.000 0.308 437 A C 0.148 177.750 177.584 0.029 0.000 1.254 437 A CA -0.662 51.483 52.037 0.181 0.000 0.874 437 A CB 0.331 19.397 19.000 0.110 0.000 1.153 437 A HN 0.850 nan 8.150 nan 0.000 0.527 438 R N 3.638 124.088 120.500 -0.083 0.000 2.198 438 R HA 0.514 4.843 4.340 -0.017 0.000 0.339 438 R C -1.522 174.586 176.300 -0.320 0.000 1.020 438 R CA -0.328 55.510 56.100 -0.438 0.000 0.864 438 R CB 0.222 30.134 30.300 -0.646 0.000 1.105 438 R HN 0.710 nan 8.270 nan 0.000 0.463 439 L N 4.524 125.557 121.223 -0.316 0.000 2.301 439 L HA 0.257 4.587 4.340 -0.017 0.000 0.278 439 L C -0.409 176.345 176.870 -0.193 0.000 1.022 439 L CA -0.869 53.865 54.840 -0.176 0.000 0.854 439 L CB 1.403 43.419 42.059 -0.072 0.000 1.226 439 L HN 0.556 nan 8.230 nan 0.000 0.429 440 D N 5.013 125.313 120.400 -0.167 0.000 2.402 440 D HA 0.163 4.792 4.640 -0.017 0.000 0.235 440 D C 0.221 176.509 176.300 -0.020 0.000 1.226 440 D CA -0.264 53.688 54.000 -0.079 0.000 0.918 440 D CB 0.600 41.371 40.800 -0.048 0.000 1.043 440 D HN 0.151 nan 8.370 nan 0.000 0.506 441 M N 2.248 121.853 119.600 0.008 0.000 2.240 441 M HA 0.363 4.833 4.480 -0.017 0.000 0.333 441 M C 0.456 176.784 176.300 0.047 0.000 1.110 441 M CA -0.383 54.926 55.300 0.015 0.000 1.173 441 M CB 0.742 33.363 32.600 0.035 0.000 1.458 441 M HN 0.496 nan 8.290 nan 0.000 0.458 442 A N 3.071 125.862 122.820 -0.048 0.000 3.214 442 A HA 0.361 4.671 4.320 -0.017 0.000 0.203 442 A C -0.366 177.150 177.584 -0.113 0.000 0.960 442 A CA -0.551 51.387 52.037 -0.165 0.000 1.113 442 A CB 0.082 18.841 19.000 -0.402 0.000 1.280 442 A HN 0.602 nan 8.150 nan 0.000 0.573 443 I N 1.648 122.211 120.570 -0.012 0.000 2.691 443 I HA 0.029 4.189 4.170 -0.017 0.000 0.288 443 I C 0.471 176.663 176.117 0.125 0.000 1.143 443 I CA 0.935 62.294 61.300 0.099 0.000 1.364 443 I CB -1.065 37.033 38.000 0.163 0.000 1.435 443 I HN 0.478 nan 8.210 nan 0.000 0.551 444 D N 4.972 125.469 120.400 0.161 0.000 2.837 444 D HA -0.157 4.472 4.640 -0.017 0.000 0.230 444 D C 0.634 176.908 176.300 -0.044 0.000 1.152 444 D CA 1.685 55.711 54.000 0.043 0.000 0.736 444 D CB -0.727 40.055 40.800 -0.030 0.000 1.084 444 D HN 1.131 nan 8.370 nan 0.000 0.429 445 G N -2.285 106.440 108.800 -0.124 0.000 2.353 445 G HA2 -0.063 3.887 3.960 -0.017 0.000 0.615 445 G HA3 -0.063 3.887 3.960 -0.017 0.000 0.615 445 G C 0.224 174.990 174.900 -0.223 0.000 1.280 445 G CA -0.375 44.593 45.100 -0.220 0.000 1.000 445 G HN 0.026 nan 8.290 nan 0.000 0.516 446 F N 0.741 120.689 119.950 -0.004 0.000 2.710 446 F HA 0.211 4.728 4.527 -0.017 0.000 0.298 446 F C 2.320 178.125 175.800 0.008 0.000 1.137 446 F CA 1.229 59.221 58.000 -0.013 0.000 1.444 446 F CB 0.215 39.193 39.000 -0.037 0.000 1.111 446 F HN 0.284 nan 8.300 nan 0.000 0.580 447 T N 2.343 116.996 114.554 0.166 0.000 3.185 447 T HA 0.143 4.482 4.350 -0.017 0.000 0.287 447 T C -0.041 174.719 174.700 0.099 0.000 1.051 447 T CA -0.029 62.142 62.100 0.118 0.000 1.051 447 T CB -0.809 68.108 68.868 0.083 0.000 1.034 447 T HN 0.209 nan 8.240 nan 0.000 0.685 448 N N 2.112 120.879 118.700 0.112 0.000 2.453 448 N HA 0.778 5.508 4.740 -0.017 0.000 0.290 448 N C -0.354 175.214 175.510 0.098 0.000 1.250 448 N CA -1.339 51.772 53.050 0.102 0.000 0.815 448 N CB 1.944 40.497 38.487 0.109 0.000 1.381 448 N HN 0.485 nan 8.380 nan 0.000 0.510 449 R N -1.120 119.438 120.500 0.097 0.000 2.710 449 R HA 0.634 4.964 4.340 -0.017 0.000 0.270 449 R C -2.079 174.285 176.300 0.107 0.000 1.021 449 R CA -0.809 55.348 56.100 0.096 0.000 0.889 449 R CB 0.988 31.337 30.300 0.082 0.000 1.243 449 R HN 0.192 nan 8.270 nan 0.000 0.464 450 V N 1.218 121.201 119.914 0.115 0.000 2.540 450 V HA 0.431 4.541 4.120 -0.017 0.000 0.302 450 V C -0.515 175.667 176.094 0.147 0.000 1.035 450 V CA -0.709 61.676 62.300 0.141 0.000 0.873 450 V CB 1.749 33.663 31.823 0.152 0.000 0.992 450 V HN 0.767 nan 8.190 nan 0.000 0.428 451 E N 2.319 122.612 120.200 0.155 0.000 2.222 451 E HA 0.438 4.777 4.350 -0.017 0.000 0.267 451 E C -0.934 175.755 176.600 0.149 0.000 0.884 451 E CA -0.649 55.827 56.400 0.127 0.000 0.764 451 E CB 2.789 32.533 29.700 0.074 0.000 1.169 451 E HN 0.736 nan 8.360 nan 0.000 0.413 452 E N 2.641 122.913 120.200 0.121 0.000 2.200 452 E HA 0.082 4.422 4.350 -0.017 0.000 0.283 452 E C -1.022 175.500 176.600 -0.130 0.000 1.015 452 E CA -0.283 56.103 56.400 -0.023 0.000 0.819 452 E CB 0.943 30.699 29.700 0.093 0.000 1.081 452 E HN 0.405 nan 8.360 nan 0.000 0.397 453 E N 4.304 124.347 120.200 -0.261 0.000 2.145 453 E HA 0.194 4.534 4.350 -0.017 0.000 0.270 453 E C -1.289 175.183 176.600 -0.213 0.000 0.906 453 E CA -0.802 55.489 56.400 -0.181 0.000 0.761 453 E CB 0.981 30.596 29.700 -0.142 0.000 1.116 453 E HN 0.409 nan 8.360 nan 0.000 0.408 454 D N 2.543 122.865 120.400 -0.128 0.000 2.342 454 D HA 0.270 4.900 4.640 -0.017 0.000 0.243 454 D C -0.479 175.790 176.300 -0.052 0.000 1.019 454 D CA -0.551 53.385 54.000 -0.108 0.000 0.864 454 D CB 2.174 42.927 40.800 -0.080 0.000 1.315 454 D HN 0.163 nan 8.370 nan 0.000 0.468 455 V N 1.213 121.100 119.914 -0.044 0.000 2.811 455 V HA 0.232 4.342 4.120 -0.017 0.000 0.302 455 V C 0.212 176.312 176.094 0.010 0.000 1.063 455 V CA -0.281 62.018 62.300 -0.002 0.000 1.088 455 V CB 1.482 33.281 31.823 -0.040 0.000 0.982 455 V HN 0.262 nan 8.190 nan 0.000 0.485 456 V N 5.643 125.591 119.914 0.056 0.000 2.407 456 V HA 0.435 4.545 4.120 -0.017 0.000 0.291 456 V C 0.168 176.310 176.094 0.080 0.000 1.018 456 V CA -0.773 61.556 62.300 0.049 0.000 0.842 456 V CB 1.601 33.450 31.823 0.044 0.000 0.996 456 V HN 0.814 nan 8.190 nan 0.000 0.426 457 R N 3.510 124.038 120.500 0.047 0.000 2.459 457 R HA 0.564 4.894 4.340 -0.017 0.000 0.281 457 R C -0.541 175.793 176.300 0.057 0.000 1.050 457 R CA -0.472 55.663 56.100 0.058 0.000 1.055 457 R CB 1.177 31.488 30.300 0.019 0.000 1.045 457 R HN 0.662 nan 8.270 nan 0.000 0.495 458 Q N 0.427 120.269 119.800 0.070 0.000 2.345 458 Q HA 0.289 4.619 4.340 -0.017 0.000 0.268 458 Q C -0.797 175.226 176.000 0.037 0.000 1.054 458 Q CA -0.662 55.170 55.803 0.049 0.000 0.835 458 Q CB 2.622 31.390 28.738 0.050 0.000 1.339 458 Q HN 0.461 nan 8.270 nan 0.000 0.447 459 T N 2.161 116.730 114.554 0.025 0.000 2.856 459 T HA 0.251 4.591 4.350 -0.017 0.000 0.292 459 T C 0.034 174.745 174.700 0.018 0.000 0.980 459 T CA -0.379 61.733 62.100 0.019 0.000 1.091 459 T CB 0.483 69.359 68.868 0.014 0.000 0.936 459 T HN 0.473 nan 8.240 nan 0.000 0.503 460 M N 3.176 122.786 119.600 0.017 0.000 2.248 460 M HA 0.433 4.903 4.480 -0.017 0.000 0.345 460 M C 0.544 176.850 176.300 0.010 0.000 1.243 460 M CA 0.977 56.286 55.300 0.014 0.000 1.090 460 M CB -0.455 32.154 32.600 0.014 0.000 1.683 460 M HN 0.920 nan 8.290 nan 0.000 0.450 461 G N 4.431 113.236 108.800 0.008 0.000 2.368 461 G HA2 0.165 4.115 3.960 -0.017 0.000 0.269 461 G HA3 0.165 4.115 3.960 -0.017 0.000 0.269 461 G C -3.287 171.615 174.900 0.004 0.000 1.291 461 G CA -0.975 44.129 45.100 0.006 0.000 0.903 461 G HN 0.489 nan 8.290 nan 0.000 0.483 462 P HA 0.293 nan 4.420 nan 0.000 0.262 462 P C 0.992 178.292 177.300 -0.000 0.000 1.199 462 P CA 1.997 65.097 63.100 0.001 0.000 0.763 462 P CB 0.597 32.297 31.700 0.001 0.000 0.790 463 G N 3.166 111.965 108.800 -0.002 0.000 2.195 463 G HA2 -0.254 3.696 3.960 -0.017 0.000 0.246 463 G HA3 -0.254 3.696 3.960 -0.017 0.000 0.246 463 G C 0.387 175.284 174.900 -0.005 0.000 0.984 463 G CA 0.246 45.343 45.100 -0.005 0.000 0.633 463 G HN 0.687 nan 8.290 nan 0.000 0.525 464 N N 0.136 118.836 118.700 -0.001 0.000 2.620 464 N HA 0.325 5.054 4.740 -0.017 0.000 0.277 464 N C 0.965 176.478 175.510 0.005 0.000 1.726 464 N CA 0.482 53.533 53.050 0.002 0.000 0.840 464 N CB 0.404 38.895 38.487 0.006 0.000 1.379 464 N HN 0.158 nan 8.380 nan 0.000 0.506 465 E N 0.109 120.311 120.200 0.003 0.000 2.171 465 E HA -0.064 4.276 4.350 -0.017 0.000 0.197 465 E C 1.173 177.777 176.600 0.007 0.000 0.997 465 E CA 1.312 57.714 56.400 0.004 0.000 0.810 465 E CB 0.104 29.806 29.700 0.002 0.000 0.738 465 E HN 0.388 nan 8.360 nan 0.000 0.467 466 R N -0.811 119.694 120.500 0.007 0.000 2.317 466 R HA 0.154 4.483 4.340 -0.017 0.000 0.208 466 R C 0.748 177.058 176.300 0.017 0.000 0.914 466 R CA 0.485 56.591 56.100 0.011 0.000 1.060 466 R CB 0.349 30.655 30.300 0.010 0.000 1.015 466 R HN 0.232 nan 8.270 nan 0.000 0.498 467 G N 2.187 110.998 108.800 0.019 0.000 2.305 467 G HA2 -0.352 3.598 3.960 -0.017 0.000 0.287 467 G HA3 -0.352 3.598 3.960 -0.017 0.000 0.287 467 G C 0.227 175.153 174.900 0.043 0.000 1.036 467 G CA 0.938 46.055 45.100 0.028 0.000 0.887 467 G HN 0.686 nan 8.290 nan 0.000 0.505 468 N N -1.006 117.721 118.700 0.045 0.000 2.294 468 N HA 0.513 5.242 4.740 -0.017 0.000 0.186 468 N C 1.264 176.834 175.510 0.101 0.000 1.107 468 N CA 0.624 53.717 53.050 0.072 0.000 0.884 468 N CB 0.340 38.855 38.487 0.048 0.000 1.030 468 N HN 0.854 nan 8.380 nan 0.000 0.482 469 A N 0.667 123.518 122.820 0.051 0.000 2.498 469 A HA 0.415 4.725 4.320 -0.017 0.000 0.239 469 A C -0.506 177.154 177.584 0.128 0.000 1.068 469 A CA -0.114 51.931 52.037 0.013 0.000 0.766 469 A CB -0.386 18.605 19.000 -0.015 0.000 1.003 469 A HN 0.511 nan 8.150 nan 0.000 0.497 470 F N 0.306 120.252 119.950 -0.008 0.000 2.641 470 F HA 0.797 5.315 4.527 -0.015 0.000 0.308 470 F C -0.304 175.490 175.800 -0.011 0.000 1.105 470 F CA -0.387 57.607 58.000 -0.009 0.000 0.964 470 F CB 0.956 39.950 39.000 -0.010 0.000 1.294 470 F HN 0.624 nan 8.300 nan 0.000 0.442 471 S N 1.209 117.042 115.700 0.221 0.000 3.331 471 S HA 0.902 5.362 4.470 -0.017 0.000 0.316 471 S C -1.428 173.260 174.600 0.147 0.000 1.104 471 S CA -0.612 57.645 58.200 0.094 0.000 0.977 471 S CB 1.451 64.665 63.200 0.023 0.000 1.370 471 S HN 1.146 nan 8.310 nan 0.000 0.731 472 R N 0.192 120.732 120.500 0.067 0.000 2.716 472 R HA 0.631 4.960 4.340 -0.017 0.000 0.271 472 R C -1.989 174.321 176.300 0.016 0.000 1.028 472 R CA -1.072 55.055 56.100 0.045 0.000 0.883 472 R CB 1.040 31.366 30.300 0.043 0.000 1.250 472 R HN 0.698 nan 8.270 nan 0.000 0.465 473 K N 1.060 121.460 120.400 0.000 0.000 2.477 473 K HA 0.608 4.918 4.320 -0.017 0.000 0.255 473 K C -1.148 175.443 176.600 -0.015 0.000 0.952 473 K CA -1.218 55.067 56.287 -0.004 0.000 0.826 473 K CB 2.781 35.281 32.500 -0.001 0.000 1.331 473 K HN 0.609 nan 8.250 nan 0.000 0.437 474 R N 0.968 121.465 120.500 -0.006 0.000 2.513 474 R HA 0.357 4.686 4.340 -0.017 0.000 0.301 474 R C -1.212 175.096 176.300 0.013 0.000 0.968 474 R CA -0.887 55.211 56.100 -0.003 0.000 0.872 474 R CB 2.543 32.846 30.300 0.004 0.000 1.177 474 R HN 0.655 nan 8.270 nan 0.000 0.444 475 T N 2.491 117.059 114.554 0.022 0.000 2.791 475 T HA 0.219 4.559 4.350 -0.017 0.000 0.288 475 T C 0.100 174.836 174.700 0.061 0.000 0.999 475 T CA -0.593 61.529 62.100 0.038 0.000 0.952 475 T CB 1.439 70.330 68.868 0.039 0.000 0.938 475 T HN 0.153 nan 8.240 nan 0.000 0.444 476 V N 5.138 125.086 119.914 0.056 0.000 2.637 476 V HA 0.187 4.296 4.120 -0.017 0.000 0.296 476 V C 0.404 176.542 176.094 0.074 0.000 1.046 476 V CA -0.412 61.929 62.300 0.068 0.000 1.066 476 V CB 0.323 32.180 31.823 0.056 0.000 0.968 476 V HN 0.717 nan 8.190 nan 0.000 0.483 477 L N 5.419 126.696 121.223 0.090 0.000 2.259 477 L HA 0.273 4.603 4.340 -0.017 0.000 0.288 477 L C 1.477 178.392 176.870 0.076 0.000 1.051 477 L CA -0.181 54.710 54.840 0.085 0.000 0.824 477 L CB 0.982 43.102 42.059 0.102 0.000 1.206 477 L HN 0.919 nan 8.230 nan 0.000 0.429 478 T N -0.548 114.043 114.554 0.062 0.000 3.009 478 T HA 0.153 4.493 4.350 -0.017 0.000 0.258 478 T C 0.994 175.729 174.700 0.058 0.000 1.063 478 T CA 0.182 62.316 62.100 0.057 0.000 1.139 478 T CB 0.327 69.223 68.868 0.047 0.000 0.890 478 T HN 0.332 nan 8.240 nan 0.000 0.471 479 R N 0.567 121.101 120.500 0.056 0.000 2.795 479 R HA 0.427 4.757 4.340 -0.017 0.000 0.275 479 R C 0.652 176.991 176.300 0.064 0.000 0.981 479 R CA -0.552 55.582 56.100 0.057 0.000 0.917 479 R CB 1.546 31.873 30.300 0.045 0.000 1.202 479 R HN 0.238 nan 8.270 nan 0.000 0.469 480 E N 0.445 120.689 120.200 0.075 0.000 2.171 480 E HA -0.195 4.144 4.350 -0.017 0.000 0.197 480 E C 1.379 178.022 176.600 0.071 0.000 0.997 480 E CA 2.013 58.467 56.400 0.091 0.000 0.810 480 E CB 0.121 29.884 29.700 0.105 0.000 0.738 480 E HN 0.620 nan 8.360 nan 0.000 0.467 481 S N 1.091 116.822 115.700 0.053 0.000 2.469 481 S HA -0.180 4.279 4.470 -0.017 0.000 0.238 481 S C 1.488 176.097 174.600 0.014 0.000 0.998 481 S CA 1.323 59.543 58.200 0.033 0.000 0.957 481 S CB -0.327 62.891 63.200 0.029 0.000 0.764 481 S HN 0.461 nan 8.310 nan 0.000 0.514 482 E N 0.119 120.332 120.200 0.021 0.000 2.624 482 E HA 0.559 4.898 4.350 -0.017 0.000 0.210 482 E C 0.751 177.357 176.600 0.010 0.000 0.997 482 E CA 0.167 56.574 56.400 0.011 0.000 0.999 482 E CB 0.453 30.169 29.700 0.025 0.000 1.040 482 E HN 0.476 nan 8.360 nan 0.000 0.469 483 A N 1.035 123.860 122.820 0.008 0.000 2.545 483 A HA 0.318 4.628 4.320 -0.017 0.000 0.277 483 A C 0.175 177.705 177.584 -0.091 0.000 1.301 483 A CA -0.252 51.790 52.037 0.008 0.000 0.935 483 A CB 0.270 19.314 19.000 0.075 0.000 1.093 483 A HN 0.111 nan 8.150 nan 0.000 0.519 484 V N 2.788 122.575 119.914 -0.212 0.000 2.294 484 V HA 0.389 4.499 4.120 -0.017 0.000 0.272 484 V C -0.404 175.463 176.094 -0.379 0.000 1.027 484 V CA -0.697 61.281 62.300 -0.538 0.000 0.823 484 V CB 0.477 31.871 31.823 -0.715 0.000 1.030 484 V HN 0.468 nan 8.190 nan 0.000 0.457 485 R N 3.444 123.738 120.500 -0.344 0.000 2.787 485 R HA 0.665 4.995 4.340 -0.017 0.000 0.271 485 R C -0.154 176.097 176.300 -0.080 0.000 0.993 485 R CA -0.717 55.313 56.100 -0.117 0.000 0.993 485 R CB 2.126 32.467 30.300 0.068 0.000 1.155 485 R HN 0.887 nan 8.270 nan 0.000 0.486 486 E N 0.309 120.567 120.200 0.097 0.000 2.263 486 E HA 0.713 5.052 4.350 -0.017 0.000 0.264 486 E C -0.842 175.962 176.600 0.339 0.000 0.923 486 E CA -1.124 55.361 56.400 0.142 0.000 0.802 486 E CB 1.697 31.439 29.700 0.071 0.000 1.228 486 E HN 0.536 nan 8.360 nan 0.000 0.417 487 A N 1.246 124.263 122.820 0.329 0.000 2.366 487 A HA 0.270 4.579 4.320 -0.017 0.000 0.249 487 A C -0.294 177.396 177.584 0.176 0.000 1.084 487 A CA -0.143 52.111 52.037 0.361 0.000 0.794 487 A CB 0.390 19.588 19.000 0.330 0.000 1.034 487 A HN 0.702 nan 8.150 nan 0.000 0.491 488 D N 0.289 120.745 120.400 0.094 0.000 2.668 488 D HA 0.419 5.049 4.640 -0.017 0.000 0.247 488 D C 0.762 177.065 176.300 0.005 0.000 1.268 488 D CA 0.289 54.310 54.000 0.035 0.000 0.842 488 D CB 0.665 41.465 40.800 0.001 0.000 1.399 488 D HN 0.476 nan 8.370 nan 0.000 0.530 489 A N 2.758 125.600 122.820 0.036 0.000 1.908 489 A HA -0.188 4.122 4.320 -0.017 0.000 0.218 489 A C 2.081 179.664 177.584 -0.002 0.000 1.181 489 A CA 1.424 53.477 52.037 0.027 0.000 0.627 489 A CB -0.274 18.757 19.000 0.051 0.000 0.818 489 A HN 0.502 nan 8.150 nan 0.000 0.445 490 R N -0.238 120.260 120.500 -0.004 0.000 2.127 490 R HA -0.141 4.188 4.340 -0.017 0.000 0.238 490 R C 1.546 177.824 176.300 -0.037 0.000 1.134 490 R CA 1.944 58.032 56.100 -0.018 0.000 0.975 490 R CB -0.358 29.935 30.300 -0.011 0.000 0.865 490 R HN 0.630 nan 8.270 nan 0.000 0.447 491 T N -3.496 111.034 114.554 -0.041 0.000 3.186 491 T HA 0.242 4.582 4.350 -0.017 0.000 0.257 491 T C 0.842 175.497 174.700 -0.075 0.000 1.029 491 T CA 0.186 62.252 62.100 -0.057 0.000 0.916 491 T CB 0.772 69.609 68.868 -0.051 0.000 1.041 491 T HN 0.353 nan 8.240 nan 0.000 0.562 492 G N 2.452 111.211 108.800 -0.068 0.000 2.341 492 G HA2 -0.349 3.601 3.960 -0.017 0.000 0.292 492 G HA3 -0.349 3.601 3.960 -0.017 0.000 0.292 492 G C 0.048 174.866 174.900 -0.135 0.000 1.021 492 G CA 0.254 45.312 45.100 -0.071 0.000 0.905 492 G HN 0.913 nan 8.290 nan 0.000 0.508 493 R N 0.529 120.911 120.500 -0.196 0.000 2.522 493 R HA 0.430 4.760 4.340 -0.017 0.000 0.284 493 R C 0.859 176.784 176.300 -0.625 0.000 1.032 493 R CA 0.936 56.796 56.100 -0.400 0.000 1.049 493 R CB 0.240 30.288 30.300 -0.419 0.000 0.956 493 R HN 0.460 nan 8.270 nan 0.000 0.422 494 T N 0.686 114.788 114.554 -0.754 0.000 2.838 494 T HA 0.537 4.877 4.350 -0.017 0.000 0.292 494 T C -1.003 173.163 174.700 -0.890 0.000 1.113 494 T CA -0.957 60.698 62.100 -0.741 0.000 1.008 494 T CB 1.257 69.856 68.868 -0.448 0.000 1.259 494 T HN 0.563 nan 8.240 nan 0.000 0.520 495 W N 0.610 121.854 121.300 -0.093 0.000 2.739 495 W HA 0.591 5.241 4.660 -0.017 0.000 0.331 495 W C -1.125 175.371 176.519 -0.038 0.000 1.049 495 W CA -1.171 56.147 57.345 -0.046 0.000 1.234 495 W CB 1.648 31.090 29.460 -0.029 0.000 1.404 495 W HN 0.583 nan 8.180 nan 0.000 0.477 496 I N 4.414 125.078 120.570 0.156 0.000 2.354 496 I HA 0.291 4.451 4.170 -0.017 0.000 0.292 496 I C -0.370 175.836 176.117 0.147 0.000 0.989 496 I CA -0.989 60.382 61.300 0.117 0.000 1.188 496 I CB 1.328 39.365 38.000 0.063 0.000 1.342 496 I HN 0.075 nan 8.210 nan 0.000 0.457 497 I N 6.128 126.792 120.570 0.156 0.000 2.321 497 I HA 0.304 4.464 4.170 -0.017 0.000 0.291 497 I C 0.339 176.547 176.117 0.150 0.000 0.998 497 I CA 0.308 61.695 61.300 0.145 0.000 1.227 497 I CB 1.346 39.425 38.000 0.133 0.000 1.368 497 I HN 0.601 nan 8.210 nan 0.000 0.466 498 S N 4.077 119.853 115.700 0.127 0.000 2.704 498 S HA 0.596 5.055 4.470 -0.017 0.000 0.296 498 S C -0.781 173.881 174.600 0.103 0.000 1.138 498 S CA -0.930 57.344 58.200 0.123 0.000 0.875 498 S CB 1.963 65.219 63.200 0.095 0.000 1.151 498 S HN 0.503 nan 8.310 nan 0.000 0.500 499 N N 1.828 120.582 118.700 0.089 0.000 2.564 499 N HA 0.370 5.100 4.740 -0.017 0.000 0.248 499 N C -1.992 173.543 175.510 0.042 0.000 0.986 499 N CA -2.270 50.818 53.050 0.064 0.000 0.921 499 N CB 1.634 40.152 38.487 0.051 0.000 1.136 499 N HN 0.398 nan 8.380 nan 0.000 0.509 500 P HA -0.073 nan 4.420 nan 0.000 0.225 500 P C 0.096 177.408 177.300 0.019 0.000 1.148 500 P CA 1.176 64.295 63.100 0.031 0.000 0.779 500 P CB 0.547 32.269 31.700 0.037 0.000 0.780 501 E N -0.870 119.341 120.200 0.017 0.000 2.481 501 E HA 0.115 4.455 4.350 -0.017 0.000 0.198 501 E C 0.373 176.967 176.600 -0.010 0.000 1.027 501 E CA -0.023 56.381 56.400 0.007 0.000 0.900 501 E CB 0.360 30.069 29.700 0.014 0.000 0.993 501 E HN 0.022 nan 8.360 nan 0.000 0.482 502 S N 1.215 116.904 115.700 -0.019 0.000 2.640 502 S HA 0.311 4.770 4.470 -0.017 0.000 0.320 502 S C -0.877 173.685 174.600 -0.064 0.000 1.097 502 S CA -0.707 57.462 58.200 -0.052 0.000 1.092 502 S CB 0.469 63.626 63.200 -0.073 0.000 0.988 502 S HN -0.040 nan 8.310 nan 0.000 0.470 503 K N 2.974 123.334 120.400 -0.066 0.000 2.208 503 K HA 0.420 4.729 4.320 -0.017 0.000 0.247 503 K C -0.088 176.458 176.600 -0.090 0.000 0.953 503 K CA -1.038 55.210 56.287 -0.064 0.000 0.837 503 K CB 1.019 33.496 32.500 -0.039 0.000 1.131 503 K HN 0.751 nan 8.250 nan 0.000 0.431 504 N N 0.411 119.058 118.700 -0.087 0.000 2.366 504 N HA 0.020 4.749 4.740 -0.017 0.000 0.277 504 N C 0.718 176.194 175.510 -0.057 0.000 1.275 504 N CA -0.469 52.525 53.050 -0.093 0.000 0.964 504 N CB 0.296 38.735 38.487 -0.081 0.000 1.167 504 N HN 0.579 nan 8.380 nan 0.000 0.568 505 R N -0.735 119.738 120.500 -0.045 0.000 2.293 505 R HA 0.007 4.337 4.340 -0.017 0.000 0.219 505 R C 0.513 176.799 176.300 -0.023 0.000 1.091 505 R CA 1.119 57.202 56.100 -0.029 0.000 1.004 505 R CB -0.721 29.567 30.300 -0.020 0.000 0.865 505 R HN 0.563 nan 8.270 nan 0.000 0.469 506 L N 1.110 122.320 121.223 -0.022 0.000 2.685 506 L HA 0.166 4.495 4.340 -0.017 0.000 0.233 506 L C 0.282 177.142 176.870 -0.017 0.000 1.173 506 L CA -0.051 54.778 54.840 -0.017 0.000 0.961 506 L CB -0.619 41.432 42.059 -0.014 0.000 1.217 506 L HN 0.451 nan 8.230 nan 0.000 0.478 507 N N 1.134 119.822 118.700 -0.022 0.000 2.776 507 N HA -0.155 4.574 4.740 -0.017 0.000 0.250 507 N C -0.361 175.139 175.510 -0.017 0.000 1.112 507 N CA 0.216 53.255 53.050 -0.019 0.000 0.733 507 N CB -0.005 38.474 38.487 -0.014 0.000 1.097 507 N HN 0.366 nan 8.380 nan 0.000 0.558 508 E N 0.344 120.532 120.200 -0.020 0.000 2.183 508 E HA 0.387 4.727 4.350 -0.017 0.000 0.271 508 E C -2.508 174.081 176.600 -0.018 0.000 0.919 508 E CA -1.701 54.691 56.400 -0.013 0.000 0.781 508 E CB 1.552 31.246 29.700 -0.009 0.000 1.140 508 E HN 0.145 nan 8.360 nan 0.000 0.402 509 P HA -0.066 nan 4.420 nan 0.000 0.264 509 P C -0.049 177.254 177.300 0.004 0.000 1.193 509 P CA -0.066 63.033 63.100 -0.001 0.000 0.763 509 P CB 0.394 32.105 31.700 0.019 0.000 0.810 510 V N 1.667 121.573 119.914 -0.014 0.000 2.924 510 V HA 0.790 4.900 4.120 -0.017 0.000 0.305 510 V C 0.551 176.734 176.094 0.148 0.000 1.073 510 V CA 0.214 62.518 62.300 0.006 0.000 1.098 510 V CB 0.425 32.148 31.823 -0.168 0.000 1.000 510 V HN 0.753 nan 8.190 nan 0.000 0.484 511 G N 1.902 110.845 108.800 0.238 0.000 2.550 511 G HA2 0.583 4.532 3.960 -0.017 0.000 0.293 511 G HA3 0.583 4.532 3.960 -0.017 0.000 0.293 511 G C -2.347 172.679 174.900 0.211 0.000 1.402 511 G CA -0.738 44.511 45.100 0.249 0.000 0.784 511 G HN 0.751 nan 8.290 nan 0.000 0.482 512 Y N -0.069 120.263 120.300 0.053 0.000 2.477 512 Y HA 0.629 5.169 4.550 -0.016 0.000 0.347 512 Y C 0.106 176.036 175.900 0.051 0.000 0.981 512 Y CA -0.780 57.335 58.100 0.025 0.000 1.033 512 Y CB 2.776 41.220 38.460 -0.027 0.000 1.245 512 Y HN 0.509 nan 8.280 nan 0.000 0.455 513 K N 4.079 124.548 120.400 0.116 0.000 2.235 513 K HA 0.515 4.825 4.320 -0.017 0.000 0.266 513 K C -1.657 174.975 176.600 0.053 0.000 0.980 513 K CA -0.863 55.444 56.287 0.034 0.000 0.849 513 K CB 0.987 33.436 32.500 -0.085 0.000 1.098 513 K HN 0.623 nan 8.250 nan 0.000 0.445 514 L N 5.498 126.753 121.223 0.053 0.000 2.281 514 L HA 0.252 4.582 4.340 -0.017 0.000 0.285 514 L C -1.084 175.784 176.870 -0.003 0.000 1.074 514 L CA 0.145 55.052 54.840 0.112 0.000 0.817 514 L CB 0.492 42.626 42.059 0.125 0.000 1.168 514 L HN 0.642 nan 8.230 nan 0.000 0.434 515 H N 5.408 124.587 119.070 0.182 0.000 2.581 515 H HA 0.564 5.109 4.556 -0.017 0.000 0.308 515 H C -0.275 175.190 175.328 0.228 0.000 1.040 515 H CA -0.333 55.818 56.048 0.170 0.000 1.231 515 H CB 1.442 31.291 29.762 0.145 0.000 1.396 515 H HN 0.857 nan 8.280 nan 0.000 0.467 516 A N 2.639 125.659 122.820 0.334 0.000 2.264 516 A HA 0.212 4.522 4.320 -0.017 0.000 0.304 516 A C 0.593 178.472 177.584 0.491 0.000 1.100 516 A CA -0.507 51.765 52.037 0.391 0.000 0.839 516 A CB 0.539 19.816 19.000 0.461 0.000 1.121 516 A HN 0.910 nan 8.150 nan 0.000 0.496 517 H N 0.534 119.793 119.070 0.315 0.000 2.551 517 H HA 0.004 4.549 4.556 -0.017 0.000 0.266 517 H C -0.137 175.316 175.328 0.207 0.000 0.964 517 H CA 0.261 56.443 56.048 0.223 0.000 1.180 517 H CB 0.190 30.076 29.762 0.207 0.000 1.408 517 H HN 0.748 nan 8.280 nan 0.000 0.563 518 N N 1.923 120.852 118.700 0.381 0.000 2.735 518 N HA -0.160 4.570 4.740 -0.017 0.000 0.248 518 N C -0.614 175.031 175.510 0.225 0.000 1.083 518 N CA 0.524 53.744 53.050 0.284 0.000 0.703 518 N CB -0.899 37.715 38.487 0.212 0.000 1.005 518 N HN 0.496 nan 8.380 nan 0.000 0.550 519 Q N -0.101 119.848 119.800 0.247 0.000 2.382 519 Q HA 0.376 4.706 4.340 -0.017 0.000 0.229 519 Q C -1.812 174.272 176.000 0.141 0.000 1.006 519 Q CA -1.098 54.816 55.803 0.185 0.000 0.916 519 Q CB 0.146 29.008 28.738 0.206 0.000 1.235 519 Q HN 0.129 nan 8.270 nan 0.000 0.512 520 P HA -0.011 nan 4.420 nan 0.000 0.266 520 P C -0.188 177.136 177.300 0.041 0.000 1.195 520 P CA 0.283 63.422 63.100 0.064 0.000 0.768 520 P CB 0.470 32.196 31.700 0.043 0.000 0.838 521 T N 0.386 114.957 114.554 0.028 0.000 2.924 521 T HA 0.303 4.643 4.350 -0.017 0.000 0.301 521 T C 0.295 174.961 174.700 -0.057 0.000 1.120 521 T CA -0.871 61.225 62.100 -0.007 0.000 0.940 521 T CB 0.009 68.884 68.868 0.012 0.000 1.591 521 T HN 0.172 nan 8.240 nan 0.000 0.578 522 L N 1.084 122.247 121.223 -0.100 0.000 2.628 522 L HA 0.154 4.484 4.340 -0.017 0.000 0.274 522 L C 0.803 177.626 176.870 -0.078 0.000 1.209 522 L CA 0.222 54.985 54.840 -0.127 0.000 0.930 522 L CB -0.521 41.437 42.059 -0.170 0.000 1.183 522 L HN 0.636 nan 8.230 nan 0.000 0.492 523 L N 4.976 126.152 121.223 -0.078 0.000 2.375 523 L HA 0.225 4.554 4.340 -0.017 0.000 0.215 523 L C 1.405 178.258 176.870 -0.028 0.000 1.108 523 L CA 0.208 55.024 54.840 -0.040 0.000 0.830 523 L CB -0.503 41.535 42.059 -0.034 0.000 0.959 523 L HN 0.836 nan 8.230 nan 0.000 0.457 524 A N 0.712 123.507 122.820 -0.043 0.000 2.547 524 A HA -0.101 4.209 4.320 -0.017 0.000 0.233 524 A C 0.285 177.862 177.584 -0.011 0.000 1.067 524 A CA -0.070 51.953 52.037 -0.023 0.000 0.763 524 A CB -0.054 18.928 19.000 -0.030 0.000 1.007 524 A HN 0.272 nan 8.150 nan 0.000 0.506 525 D N 2.245 122.647 120.400 0.003 0.000 2.488 525 D HA 0.019 4.649 4.640 -0.017 0.000 0.238 525 D C -1.173 175.127 176.300 0.000 0.000 1.138 525 D CA -0.890 53.113 54.000 0.006 0.000 0.873 525 D CB 0.873 41.682 40.800 0.014 0.000 1.183 525 D HN 0.284 nan 8.370 nan 0.000 0.458 526 P HA -0.088 nan 4.420 nan 0.000 0.223 526 P C 0.970 178.267 177.300 -0.006 0.000 1.144 526 P CA 0.773 63.870 63.100 -0.006 0.000 0.783 526 P CB 0.119 31.817 31.700 -0.004 0.000 0.771 527 G N -0.176 108.623 108.800 -0.001 0.000 3.042 527 G HA2 0.045 3.994 3.960 -0.017 0.000 0.212 527 G HA3 0.045 3.994 3.960 -0.017 0.000 0.212 527 G C 0.590 175.490 174.900 0.001 0.000 1.166 527 G CA 0.081 45.179 45.100 -0.002 0.000 0.767 527 G HN 0.426 nan 8.290 nan 0.000 0.546 528 S N -0.522 115.183 115.700 0.008 0.000 2.614 528 S HA 0.326 4.785 4.470 -0.017 0.000 0.265 528 S C 1.572 176.171 174.600 -0.002 0.000 1.303 528 S CA 0.415 58.630 58.200 0.025 0.000 1.000 528 S CB 1.709 64.934 63.200 0.041 0.000 0.935 528 S HN 0.077 nan 8.310 nan 0.000 0.551 529 S N 0.797 116.494 115.700 -0.005 0.000 2.356 529 S HA -0.133 4.327 4.470 -0.017 0.000 0.223 529 S C 1.703 176.267 174.600 -0.059 0.000 1.032 529 S CA 0.993 59.126 58.200 -0.112 0.000 1.005 529 S CB -0.660 62.334 63.200 -0.343 0.000 0.867 529 S HN 0.711 nan 8.310 nan 0.000 0.449 530 I N 2.013 122.593 120.570 0.016 0.000 2.286 530 I HA -0.087 4.073 4.170 -0.017 0.000 0.248 530 I C 2.424 178.544 176.117 0.005 0.000 1.115 530 I CA 1.616 62.944 61.300 0.047 0.000 1.392 530 I CB -1.588 36.438 38.000 0.043 0.000 1.065 530 I HN 0.401 nan 8.210 nan 0.000 0.418 531 A N 1.000 123.810 122.820 -0.017 0.000 1.972 531 A HA -0.199 4.111 4.320 -0.017 0.000 0.219 531 A C 2.355 179.921 177.584 -0.030 0.000 1.169 531 A CA 1.335 53.351 52.037 -0.035 0.000 0.635 531 A CB -0.480 18.505 19.000 -0.025 0.000 0.810 531 A HN 0.489 nan 8.150 nan 0.000 0.446 532 R N -1.079 119.401 120.500 -0.033 0.000 2.090 532 R HA 0.075 4.404 4.340 -0.017 0.000 0.219 532 R C 2.309 178.579 176.300 -0.049 0.000 1.100 532 R CA 0.917 56.987 56.100 -0.050 0.000 0.991 532 R CB -0.222 30.031 30.300 -0.079 0.000 0.893 532 R HN 0.430 nan 8.270 nan 0.000 0.443 533 R N 0.563 121.050 120.500 -0.022 0.000 2.115 533 R HA 0.050 4.380 4.340 -0.017 0.000 0.226 533 R C 0.998 177.405 176.300 0.178 0.000 1.100 533 R CA 1.182 57.290 56.100 0.012 0.000 0.980 533 R CB 0.156 30.479 30.300 0.038 0.000 0.875 533 R HN 0.072 nan 8.270 nan 0.000 0.445 534 A N 0.164 123.092 122.820 0.179 0.000 2.911 534 A HA 0.491 4.801 4.320 -0.017 0.000 0.304 534 A C 1.221 178.698 177.584 -0.177 0.000 1.144 534 A CA -0.015 52.090 52.037 0.113 0.000 0.988 534 A CB 0.259 19.227 19.000 -0.054 0.000 1.141 534 A HN 0.243 nan 8.150 nan 0.000 0.552 535 A N 0.413 123.213 122.820 -0.033 0.000 1.948 535 A HA -0.102 4.208 4.320 -0.017 0.000 0.220 535 A C 1.815 179.403 177.584 0.008 0.000 1.177 535 A CA 1.912 53.940 52.037 -0.015 0.000 0.636 535 A CB -0.984 18.023 19.000 0.012 0.000 0.815 535 A HN 1.377 nan 8.150 nan 0.000 0.449 536 F N -0.154 119.691 119.950 -0.174 0.000 2.202 536 F HA 0.001 4.518 4.527 -0.017 0.000 0.301 536 F C 2.052 177.924 175.800 0.120 0.000 1.082 536 F CA 0.835 58.655 58.000 -0.300 0.000 1.313 536 F CB -0.964 37.740 39.000 -0.493 0.000 1.024 536 F HN 0.154 nan 8.300 nan 0.000 0.495 537 A N 0.480 122.656 122.820 -1.074 0.000 2.209 537 A HA -0.024 4.286 4.320 -0.017 0.000 0.212 537 A C 2.109 179.560 177.584 -0.222 0.000 1.158 537 A CA 1.368 52.965 52.037 -0.733 0.000 0.742 537 A CB -1.499 16.916 19.000 -0.974 0.000 0.790 537 A HN 0.592 nan 8.150 nan 0.000 0.472 538 T N -3.574 110.943 114.554 -0.062 0.000 3.081 538 T HA 0.187 4.526 4.350 -0.017 0.000 0.255 538 T C 0.590 175.317 174.700 0.046 0.000 1.113 538 T CA 0.236 62.339 62.100 0.004 0.000 1.082 538 T CB 0.103 68.986 68.868 0.025 0.000 0.939 538 T HN 0.107 nan 8.240 nan 0.000 0.506 539 K N 1.096 121.579 120.400 0.137 0.000 2.426 539 K HA 0.398 4.708 4.320 -0.017 0.000 0.251 539 K C -0.478 176.193 176.600 0.118 0.000 0.941 539 K CA -0.515 55.776 56.287 0.007 0.000 0.808 539 K CB 2.125 34.398 32.500 -0.378 0.000 1.265 539 K HN -0.048 nan 8.250 nan 0.000 0.432 540 D N 0.353 120.779 120.400 0.043 0.000 2.183 540 D HA -0.033 4.597 4.640 -0.017 0.000 0.203 540 D C 0.043 176.395 176.300 0.086 0.000 0.969 540 D CA 0.861 54.928 54.000 0.111 0.000 0.842 540 D CB 0.272 41.172 40.800 0.167 0.000 0.957 540 D HN 0.130 nan 8.370 nan 0.000 0.484 541 L N -0.530 120.593 121.223 -0.167 0.000 2.455 541 L HA 0.476 4.805 4.340 -0.017 0.000 0.264 541 L C -2.011 174.765 176.870 -0.157 0.000 0.968 541 L CA -0.631 54.090 54.840 -0.199 0.000 0.827 541 L CB 1.592 43.112 42.059 -0.899 0.000 1.317 541 L HN -0.127 nan 8.230 nan 0.000 0.407 542 W N 3.973 125.271 121.300 -0.003 0.000 2.915 542 W HA 0.765 5.414 4.660 -0.017 0.000 0.337 542 W C -1.249 175.380 176.519 0.183 0.000 1.102 542 W CA -0.812 56.566 57.345 0.055 0.000 1.224 542 W CB 2.025 31.494 29.460 0.014 0.000 1.416 542 W HN 0.168 nan 8.180 nan 0.000 0.503 543 V N 2.635 122.769 119.914 0.365 0.000 2.531 543 V HA 0.721 4.831 4.120 -0.017 0.000 0.301 543 V C -0.087 176.203 176.094 0.326 0.000 1.034 543 V CA -0.790 61.709 62.300 0.332 0.000 0.865 543 V CB 1.483 33.418 31.823 0.186 0.000 0.995 543 V HN 0.589 nan 8.190 nan 0.000 0.424 544 T N 1.629 116.422 114.554 0.399 0.000 2.916 544 T HA 0.767 5.106 4.350 -0.017 0.000 0.292 544 T C -0.482 174.358 174.700 0.234 0.000 1.064 544 T CA -0.962 61.325 62.100 0.311 0.000 1.011 544 T CB 2.169 71.267 68.868 0.384 0.000 1.152 544 T HN 0.513 nan 8.240 nan 0.000 0.510 545 R N 0.701 121.294 120.500 0.155 0.000 2.390 545 R HA 0.367 4.697 4.340 -0.017 0.000 0.291 545 R C -0.886 175.471 176.300 0.096 0.000 1.070 545 R CA -0.947 55.224 56.100 0.118 0.000 1.014 545 R CB -0.367 29.978 30.300 0.074 0.000 1.007 545 R HN 0.783 nan 8.270 nan 0.000 0.466 546 Y N 2.997 123.299 120.300 0.002 0.000 2.597 546 Y HA 0.330 4.870 4.550 -0.017 0.000 0.336 546 Y C -0.787 175.066 175.900 -0.079 0.000 1.216 546 Y CA 0.808 58.880 58.100 -0.046 0.000 1.463 546 Y CB 0.508 38.907 38.460 -0.102 0.000 1.303 546 Y HN 0.744 nan 8.280 nan 0.000 0.576 547 A N 5.263 127.348 122.820 -1.225 0.000 2.517 547 A HA 0.279 4.589 4.320 -0.017 0.000 0.297 547 A C 0.115 177.050 177.584 -1.081 0.000 1.050 547 A CA -0.575 50.897 52.037 -0.940 0.000 0.694 547 A CB 0.884 19.588 19.000 -0.493 0.000 1.277 547 A HN 0.800 nan 8.150 nan 0.000 0.400 548 D N 1.160 121.152 120.400 -0.680 0.000 2.182 548 D HA -0.165 4.465 4.640 -0.017 0.000 0.201 548 D C 0.693 176.822 176.300 -0.286 0.000 0.986 548 D CA 2.072 55.865 54.000 -0.344 0.000 0.847 548 D CB 0.107 40.832 40.800 -0.125 0.000 0.942 548 D HN 0.768 nan 8.370 nan 0.000 0.467 549 D N 0.134 120.356 120.400 -0.297 0.000 2.342 549 D HA -0.028 4.602 4.640 -0.017 0.000 0.221 549 D C -0.138 175.961 176.300 -0.334 0.000 1.101 549 D CA 0.000 53.856 54.000 -0.241 0.000 0.837 549 D CB -0.464 40.244 40.800 -0.154 0.000 0.938 549 D HN 0.128 nan 8.370 nan 0.000 0.508 550 E N 0.667 120.583 120.200 -0.473 0.000 2.400 550 E HA 0.324 4.663 4.350 -0.017 0.000 0.232 550 E C 0.446 176.897 176.600 -0.248 0.000 0.988 550 E CA -0.292 55.728 56.400 -0.633 0.000 0.823 550 E CB 1.050 30.157 29.700 -0.987 0.000 1.246 550 E HN 0.132 nan 8.360 nan 0.000 0.441 551 R N 0.881 121.204 120.500 -0.294 0.000 2.167 551 R HA 0.123 4.453 4.340 -0.017 0.000 0.201 551 R C -0.034 175.977 176.300 -0.481 0.000 1.024 551 R CA 0.614 56.391 56.100 -0.539 0.000 1.053 551 R CB 0.394 30.039 30.300 -1.092 0.000 0.987 551 R HN 0.253 nan 8.270 nan 0.000 0.493 552 Y N 0.406 120.838 120.300 0.220 0.000 2.446 552 Y HA 0.307 4.847 4.550 -0.017 0.000 0.345 552 Y C -1.778 174.139 175.900 0.027 0.000 0.984 552 Y CA -3.297 54.896 58.100 0.156 0.000 1.058 552 Y CB 1.170 39.613 38.460 -0.029 0.000 1.220 552 Y HN -0.181 nan 8.280 nan 0.000 0.455 553 P HA -0.100 nan 4.420 nan 0.000 0.226 553 P C 0.672 177.724 177.300 -0.413 0.000 1.153 553 P CA 1.518 64.297 63.100 -0.534 0.000 0.777 553 P CB 0.162 31.430 31.700 -0.720 0.000 0.794 554 T N -4.993 109.431 114.554 -0.216 0.000 3.044 554 T HA 0.506 4.846 4.350 -0.017 0.000 0.260 554 T C 0.895 175.541 174.700 -0.089 0.000 1.019 554 T CA 0.120 62.142 62.100 -0.130 0.000 0.921 554 T CB -0.070 68.748 68.868 -0.084 0.000 1.053 554 T HN 0.335 nan 8.240 nan 0.000 0.533 555 G N 1.358 110.146 108.800 -0.019 0.000 2.757 555 G HA2 -0.160 3.790 3.960 -0.017 0.000 0.638 555 G HA3 -0.160 3.790 3.960 -0.017 0.000 0.638 555 G C -0.202 174.710 174.900 0.019 0.000 1.344 555 G CA -0.130 44.990 45.100 0.034 0.000 0.855 555 G HN 0.145 nan 8.290 nan 0.000 0.537 556 D N -0.584 119.729 120.400 -0.144 0.000 2.149 556 D HA 0.055 4.685 4.640 -0.017 0.000 0.201 556 D C 0.872 176.633 176.300 -0.899 0.000 0.972 556 D CA 1.500 55.200 54.000 -0.501 0.000 0.835 556 D CB -0.044 40.205 40.800 -0.919 0.000 0.966 556 D HN 0.227 nan 8.370 nan 0.000 0.476 557 F N 0.099 119.901 119.950 -0.246 0.000 2.430 557 F HA 0.229 4.746 4.527 -0.017 0.000 0.362 557 F C 1.034 176.665 175.800 -0.281 0.000 1.103 557 F CA -0.654 57.147 58.000 -0.331 0.000 1.045 557 F CB 1.515 40.244 39.000 -0.452 0.000 1.276 557 F HN -0.364 nan 8.300 nan 0.000 0.444 558 V N 0.340 120.179 119.914 -0.124 0.000 2.725 558 V HA -0.086 4.023 4.120 -0.017 0.000 0.247 558 V C 1.097 177.089 176.094 -0.170 0.000 1.058 558 V CA 0.378 62.554 62.300 -0.205 0.000 1.080 558 V CB -0.472 31.109 31.823 -0.403 0.000 0.713 558 V HN 0.667 nan 8.190 nan 0.000 0.465 559 N N 1.659 120.297 118.700 -0.102 0.000 2.374 559 N HA -0.075 4.655 4.740 -0.017 0.000 0.269 559 N C 0.515 176.006 175.510 -0.031 0.000 1.310 559 N CA 0.752 53.764 53.050 -0.064 0.000 0.877 559 N CB -0.240 38.212 38.487 -0.059 0.000 1.096 559 N HN 0.447 nan 8.380 nan 0.000 0.484 560 Q N 0.315 120.105 119.800 -0.018 0.000 2.457 560 Q HA -0.310 4.020 4.340 -0.017 0.000 0.283 560 Q C -0.834 175.175 176.000 0.016 0.000 1.234 560 Q CA 0.909 56.706 55.803 -0.010 0.000 0.877 560 Q CB -1.655 27.075 28.738 -0.013 0.000 1.250 560 Q HN 0.698 nan 8.270 nan 0.000 0.481 561 H N -0.031 118.960 119.070 -0.132 0.000 2.481 561 H HA 0.399 4.945 4.556 -0.017 0.000 0.333 561 H C 0.427 175.668 175.328 -0.144 0.000 1.066 561 H CA 0.044 56.016 56.048 -0.127 0.000 1.209 561 H CB 0.985 30.676 29.762 -0.118 0.000 1.445 561 H HN 0.319 nan 8.280 nan 0.000 0.488 562 S N 3.129 118.557 115.700 -0.453 0.000 2.625 562 S HA 0.275 4.734 4.470 -0.017 0.000 0.258 562 S C 0.969 175.221 174.600 -0.581 0.000 1.256 562 S CA -0.313 57.635 58.200 -0.420 0.000 0.983 562 S CB 0.655 63.683 63.200 -0.287 0.000 1.032 562 S HN 0.709 nan 8.310 nan 0.000 0.572 563 G N -1.671 106.919 108.800 -0.350 0.000 2.667 563 G HA2 0.469 4.418 3.960 -0.017 0.000 0.250 563 G HA3 0.469 4.418 3.960 -0.017 0.000 0.250 563 G C 0.846 175.565 174.900 -0.301 0.000 1.212 563 G CA -0.289 44.639 45.100 -0.287 0.000 0.874 563 G HN 1.917 nan 8.290 nan 0.000 0.561 564 G N -1.907 106.770 108.800 -0.205 0.000 2.551 564 G HA2 0.378 4.328 3.960 -0.017 0.000 0.186 564 G HA3 0.378 4.328 3.960 -0.017 0.000 0.186 564 G C 0.305 175.159 174.900 -0.077 0.000 1.002 564 G CA 0.774 45.798 45.100 -0.126 0.000 0.723 564 G HN 1.806 nan 8.290 nan 0.000 0.481 565 A N -0.611 122.156 122.820 -0.088 0.000 2.470 565 A HA 1.105 5.415 4.320 -0.017 0.000 0.271 565 A C 1.260 178.635 177.584 -0.349 0.000 1.269 565 A CA 0.889 52.859 52.037 -0.113 0.000 0.828 565 A CB 0.686 19.737 19.000 0.084 0.000 1.374 565 A HN 2.245 nan 8.150 nan 0.000 0.454 566 G N -1.814 106.632 108.800 -0.590 0.000 2.693 566 G HA2 -0.108 3.841 3.960 -0.017 0.000 0.226 566 G HA3 -0.108 3.841 3.960 -0.017 0.000 0.226 566 G C 0.705 174.701 174.900 -1.505 0.000 1.354 566 G CA 0.021 44.577 45.100 -0.907 0.000 0.873 566 G HN 1.253 nan 8.290 nan 0.000 0.562 567 L N 0.931 121.481 121.223 -1.122 0.000 2.021 567 L HA -0.122 4.208 4.340 -0.017 0.000 0.215 567 L C 0.320 176.847 176.870 -0.572 0.000 1.074 567 L CA 2.657 56.912 54.840 -0.975 0.000 0.760 567 L CB -1.371 39.886 42.059 -1.337 0.000 0.889 567 L HN 0.435 nan 8.230 nan 0.000 0.433 568 P HA -0.173 nan 4.420 nan 0.000 0.216 568 P C 1.850 179.070 177.300 -0.133 0.000 1.150 568 P CA 1.900 64.925 63.100 -0.124 0.000 0.837 568 P CB -0.022 31.621 31.700 -0.094 0.000 0.786 569 S N -2.263 113.274 115.700 -0.271 0.000 2.387 569 S HA -0.175 4.285 4.470 -0.017 0.000 0.226 569 S C 1.890 176.475 174.600 -0.024 0.000 1.026 569 S CA 0.898 59.003 58.200 -0.157 0.000 0.972 569 S CB -1.690 61.398 63.200 -0.185 0.000 0.814 569 S HN 0.014 nan 8.310 nan 0.000 0.477 570 Y N 2.227 122.466 120.300 -0.102 0.000 2.145 570 Y HA 0.084 4.624 4.550 -0.017 0.000 0.286 570 Y C 2.535 178.413 175.900 -0.038 0.000 1.145 570 Y CA -0.453 57.592 58.100 -0.092 0.000 1.148 570 Y CB -1.086 37.275 38.460 -0.165 0.000 0.981 570 Y HN 0.204 nan 8.280 nan 0.000 0.507 571 I N 0.172 120.821 120.570 0.131 0.000 2.335 571 I HA -0.280 3.880 4.170 -0.017 0.000 0.251 571 I C 2.466 178.639 176.117 0.092 0.000 1.129 571 I CA 1.411 62.789 61.300 0.131 0.000 1.402 571 I CB -1.648 36.463 38.000 0.186 0.000 1.069 571 I HN 0.161 nan 8.210 nan 0.000 0.424 572 A N 0.278 123.139 122.820 0.069 0.000 2.076 572 A HA -0.231 4.079 4.320 -0.017 0.000 0.220 572 A C 2.142 179.755 177.584 0.048 0.000 1.160 572 A CA 1.246 53.312 52.037 0.048 0.000 0.653 572 A CB -0.610 18.408 19.000 0.031 0.000 0.801 572 A HN 0.555 nan 8.150 nan 0.000 0.455 573 Q N -1.203 118.632 119.800 0.058 0.000 2.437 573 Q HA -0.098 4.232 4.340 -0.017 0.000 0.210 573 Q C 0.180 176.206 176.000 0.044 0.000 0.972 573 Q CA 0.487 56.318 55.803 0.046 0.000 0.903 573 Q CB -0.165 28.600 28.738 0.045 0.000 0.967 573 Q HN 0.638 nan 8.270 nan 0.000 0.486 574 D N 0.979 121.410 120.400 0.053 0.000 2.704 574 D HA -0.188 4.442 4.640 -0.017 0.000 0.232 574 D C -0.911 175.418 176.300 0.048 0.000 1.183 574 D CA 0.581 54.611 54.000 0.051 0.000 0.647 574 D CB -0.495 40.329 40.800 0.039 0.000 1.013 574 D HN 0.214 nan 8.370 nan 0.000 0.415 575 R N 0.455 120.987 120.500 0.054 0.000 2.637 575 R HA 0.317 4.647 4.340 -0.017 0.000 0.269 575 R C 0.237 176.570 176.300 0.056 0.000 1.089 575 R CA -0.564 55.566 56.100 0.049 0.000 1.177 575 R CB 0.400 30.727 30.300 0.046 0.000 1.091 575 R HN 0.191 nan 8.270 nan 0.000 0.540 576 D N 1.821 122.251 120.400 0.050 0.000 2.383 576 D HA 0.034 4.664 4.640 -0.017 0.000 0.252 576 D C 0.455 176.794 176.300 0.066 0.000 1.166 576 D CA -0.030 54.002 54.000 0.053 0.000 0.879 576 D CB 0.578 41.405 40.800 0.045 0.000 1.164 576 D HN 0.549 nan 8.370 nan 0.000 0.462 577 I N -0.199 120.415 120.570 0.073 0.000 4.050 577 I HA 0.343 4.503 4.170 -0.017 0.000 0.327 577 I C 0.118 176.285 176.117 0.083 0.000 1.473 577 I CA -0.506 60.846 61.300 0.087 0.000 1.124 577 I CB 0.513 38.575 38.000 0.103 0.000 1.129 577 I HN 0.068 nan 8.210 nan 0.000 0.428 578 D N 2.939 123.381 120.400 0.070 0.000 2.494 578 D HA 0.373 5.003 4.640 -0.017 0.000 0.217 578 D C 1.058 177.396 176.300 0.063 0.000 1.153 578 D CA 0.469 54.508 54.000 0.066 0.000 0.954 578 D CB 0.448 41.282 40.800 0.056 0.000 1.034 578 D HN 0.555 nan 8.370 nan 0.000 0.518 579 G N 3.117 111.960 108.800 0.071 0.000 2.303 579 G HA2 -0.176 3.774 3.960 -0.017 0.000 0.260 579 G HA3 -0.176 3.774 3.960 -0.017 0.000 0.260 579 G C -0.078 174.866 174.900 0.074 0.000 1.106 579 G CA -0.331 44.810 45.100 0.069 0.000 0.900 579 G HN 0.468 nan 8.290 nan 0.000 0.495 580 Q N -0.755 119.096 119.800 0.086 0.000 2.882 580 Q HA 0.391 4.721 4.340 -0.017 0.000 0.315 580 Q C -1.010 175.056 176.000 0.111 0.000 1.004 580 Q CA -0.904 54.952 55.803 0.088 0.000 0.777 580 Q CB 0.876 29.660 28.738 0.077 0.000 1.506 580 Q HN 0.213 nan 8.270 nan 0.000 0.489 581 D N 1.980 122.436 120.400 0.093 0.000 2.359 581 D HA 0.277 4.907 4.640 -0.017 0.000 0.250 581 D C -0.350 176.027 176.300 0.128 0.000 1.264 581 D CA 0.045 54.096 54.000 0.084 0.000 0.911 581 D CB -0.378 40.372 40.800 -0.083 0.000 1.056 581 D HN 0.417 nan 8.370 nan 0.000 0.499 582 I N -0.069 120.589 120.570 0.146 0.000 2.910 582 I HA 0.676 4.836 4.170 -0.017 0.000 0.310 582 I C -0.888 175.308 176.117 0.132 0.000 1.043 582 I CA -1.036 60.354 61.300 0.151 0.000 1.053 582 I CB 2.173 40.255 38.000 0.138 0.000 1.242 582 I HN -0.125 nan 8.210 nan 0.000 0.452 583 V N 3.768 123.763 119.914 0.135 0.000 2.638 583 V HA 0.413 4.523 4.120 -0.017 0.000 0.306 583 V C -0.149 175.950 176.094 0.008 0.000 1.052 583 V CA -0.663 61.638 62.300 0.000 0.000 0.885 583 V CB 1.840 33.617 31.823 -0.076 0.000 0.999 583 V HN 0.572 nan 8.190 nan 0.000 0.424 584 V N 3.619 123.467 119.914 -0.110 0.000 2.427 584 V HA 0.468 4.578 4.120 -0.017 0.000 0.286 584 V C -1.118 174.911 176.094 -0.109 0.000 1.034 584 V CA -0.460 61.844 62.300 0.005 0.000 0.893 584 V CB 1.610 33.430 31.823 -0.004 0.000 0.982 584 V HN 0.918 nan 8.190 nan 0.000 0.452 585 W N 3.993 125.343 121.300 0.084 0.000 2.336 585 W HA 0.510 5.160 4.660 -0.017 0.000 0.315 585 W C -0.195 176.425 176.519 0.169 0.000 1.016 585 W CA -0.646 56.752 57.345 0.088 0.000 1.318 585 W CB 0.525 30.008 29.460 0.038 0.000 1.247 585 W HN 0.602 nan 8.180 nan 0.000 0.414 586 H N 1.632 120.789 119.070 0.145 0.000 2.504 586 H HA 0.531 5.077 4.556 -0.017 0.000 0.322 586 H C -0.339 175.169 175.328 0.300 0.000 1.055 586 H CA -0.212 55.887 56.048 0.085 0.000 1.231 586 H CB 1.034 30.647 29.762 -0.248 0.000 1.417 586 H HN 0.176 nan 8.280 nan 0.000 0.472 587 T N 7.160 121.722 114.554 0.014 0.000 2.806 587 T HA 0.443 4.782 4.350 -0.017 0.000 0.290 587 T C -1.044 173.551 174.700 -0.175 0.000 0.966 587 T CA -0.250 61.869 62.100 0.032 0.000 1.060 587 T CB -0.218 68.761 68.868 0.184 0.000 0.927 587 T HN 0.502 nan 8.240 nan 0.000 0.485 588 F N -0.209 119.638 119.950 -0.173 0.000 2.650 588 F HA 0.818 5.335 4.527 -0.017 0.000 0.310 588 F C -0.315 175.586 175.800 0.167 0.000 1.112 588 F CA -1.120 56.838 58.000 -0.070 0.000 0.986 588 F CB 0.977 39.903 39.000 -0.122 0.000 1.285 588 F HN 0.811 nan 8.300 nan 0.000 0.440 589 G N 1.789 110.694 108.800 0.174 0.000 2.600 589 G HA2 0.602 4.551 3.960 -0.017 0.000 0.293 589 G HA3 0.602 4.551 3.960 -0.017 0.000 0.293 589 G C -2.501 172.504 174.900 0.176 0.000 1.408 589 G CA -1.128 44.072 45.100 0.167 0.000 0.782 589 G HN 0.837 nan 8.290 nan 0.000 0.482 590 L N 0.435 121.756 121.223 0.163 0.000 2.329 590 L HA 0.586 4.915 4.340 -0.017 0.000 0.279 590 L C -0.141 176.726 176.870 -0.006 0.000 1.014 590 L CA -0.677 54.227 54.840 0.105 0.000 0.814 590 L CB 2.375 44.516 42.059 0.136 0.000 1.257 590 L HN 0.437 nan 8.230 nan 0.000 0.424 591 T N 0.980 115.483 114.554 -0.084 0.000 2.756 591 T HA 0.242 4.582 4.350 -0.017 0.000 0.290 591 T C -0.661 173.823 174.700 -0.360 0.000 0.985 591 T CA -0.248 61.685 62.100 -0.279 0.000 0.955 591 T CB 0.159 68.878 68.868 -0.247 0.000 0.930 591 T HN 0.418 nan 8.240 nan 0.000 0.451 592 H N 3.074 121.733 119.070 -0.684 0.000 2.541 592 H HA 0.399 4.945 4.556 -0.017 0.000 0.316 592 H C -1.132 173.713 175.328 -0.805 0.000 1.043 592 H CA -1.079 54.596 56.048 -0.622 0.000 1.232 592 H CB 0.368 29.797 29.762 -0.556 0.000 1.406 592 H HN 0.443 nan 8.280 nan 0.000 0.469 593 F N 6.627 126.493 119.950 -0.140 0.000 2.307 593 F HA 0.276 4.793 4.527 -0.017 0.000 0.369 593 F C -2.057 173.712 175.800 -0.053 0.000 1.076 593 F CA -2.540 55.226 58.000 -0.390 0.000 1.149 593 F CB 0.832 39.496 39.000 -0.561 0.000 1.410 593 F HN 0.515 nan 8.300 nan 0.000 0.481 594 P HA 0.032 nan 4.420 nan 0.000 0.263 594 P C -0.296 177.116 177.300 0.187 0.000 1.175 594 P CA 0.309 63.435 63.100 0.043 0.000 0.761 594 P CB 0.587 32.278 31.700 -0.015 0.000 0.794 595 R N 1.739 122.367 120.500 0.214 0.000 2.758 595 R HA 0.344 4.674 4.340 -0.017 0.000 0.265 595 R C 1.190 177.581 176.300 0.150 0.000 1.016 595 R CA -1.007 55.188 56.100 0.158 0.000 1.040 595 R CB 0.477 30.864 30.300 0.145 0.000 1.152 595 R HN 0.109 nan 8.270 nan 0.000 0.503 596 V N 1.323 121.302 119.914 0.109 0.000 2.490 596 V HA -0.210 3.900 4.120 -0.017 0.000 0.250 596 V C 1.454 177.648 176.094 0.167 0.000 1.061 596 V CA 1.824 64.197 62.300 0.122 0.000 1.064 596 V CB -0.536 31.331 31.823 0.074 0.000 0.670 596 V HN 0.697 nan 8.190 nan 0.000 0.461 597 E N 0.108 120.385 120.200 0.129 0.000 2.333 597 E HA -0.174 4.166 4.350 -0.017 0.000 0.198 597 E C 1.611 178.289 176.600 0.129 0.000 1.007 597 E CA 0.942 57.408 56.400 0.110 0.000 0.845 597 E CB -0.236 29.511 29.700 0.079 0.000 0.766 597 E HN 0.589 nan 8.360 nan 0.000 0.507 598 D N -1.080 119.434 120.400 0.190 0.000 2.355 598 D HA -0.061 4.568 4.640 -0.017 0.000 0.218 598 D C -0.196 176.255 176.300 0.251 0.000 1.004 598 D CA 0.253 54.381 54.000 0.213 0.000 0.880 598 D CB 0.103 41.086 40.800 0.306 0.000 0.911 598 D HN 0.220 nan 8.370 nan 0.000 0.528 599 W N 2.369 123.700 121.300 0.051 0.000 2.606 599 W HA 0.214 4.864 4.660 -0.017 0.000 0.332 599 W C -1.902 174.647 176.519 0.050 0.000 1.052 599 W CA -1.974 55.401 57.345 0.049 0.000 1.223 599 W CB 2.091 31.578 29.460 0.045 0.000 1.383 599 W HN -0.196 nan 8.180 nan 0.000 0.524 600 P HA 0.076 nan 4.420 nan 0.000 0.240 600 P C -0.236 176.606 177.300 -0.763 0.000 1.190 600 P CA 0.612 62.761 63.100 -1.585 0.000 0.781 600 P CB 1.183 32.214 31.700 -1.114 0.000 0.931 601 I N 0.865 121.175 120.570 -0.433 0.000 2.569 601 I HA 0.302 4.462 4.170 -0.017 0.000 0.290 601 I C -0.436 175.547 176.117 -0.223 0.000 1.088 601 I CA -2.089 58.953 61.300 -0.430 0.000 1.047 601 I CB 1.934 39.423 38.000 -0.851 0.000 1.237 601 I HN -0.196 nan 8.210 nan 0.000 0.421 602 M N 9.116 128.638 119.600 -0.129 0.000 2.216 602 M HA 0.654 5.124 4.480 -0.017 0.000 0.356 602 M C -2.545 173.720 176.300 -0.058 0.000 1.205 602 M CA -1.296 53.985 55.300 -0.032 0.000 1.122 602 M CB 0.962 33.603 32.600 0.068 0.000 1.571 602 M HN 0.321 nan 8.290 nan 0.000 0.464 603 P HA 0.122 nan 4.420 nan 0.000 0.274 603 P C -0.461 176.820 177.300 -0.032 0.000 1.231 603 P CA -0.406 62.671 63.100 -0.038 0.000 0.790 603 P CB 0.895 32.582 31.700 -0.023 0.000 0.951 604 V N 2.746 122.644 119.914 -0.026 0.000 2.694 604 V HA -0.019 4.091 4.120 -0.017 0.000 0.306 604 V C 0.761 176.829 176.094 -0.043 0.000 1.054 604 V CA 1.102 63.390 62.300 -0.020 0.000 1.161 604 V CB -0.062 31.764 31.823 0.005 0.000 0.916 604 V HN 0.658 nan 8.190 nan 0.000 0.490 605 D N 2.132 122.495 120.400 -0.063 0.000 2.433 605 D HA 0.697 5.326 4.640 -0.017 0.000 0.236 605 D C -0.296 175.963 176.300 -0.068 0.000 1.026 605 D CA -0.188 53.769 54.000 -0.072 0.000 0.884 605 D CB 2.348 43.078 40.800 -0.117 0.000 1.384 605 D HN 0.728 nan 8.370 nan 0.000 0.477 606 T N -1.414 113.111 114.554 -0.050 0.000 2.901 606 T HA 0.789 5.129 4.350 -0.017 0.000 0.293 606 T C -0.890 173.823 174.700 0.022 0.000 1.084 606 T CA -0.819 61.248 62.100 -0.056 0.000 1.008 606 T CB 1.542 70.362 68.868 -0.081 0.000 1.170 606 T HN 0.277 nan 8.240 nan 0.000 0.509 607 V N -0.472 119.450 119.914 0.013 0.000 3.167 607 V HA 0.833 4.942 4.120 -0.017 0.000 0.293 607 V C -0.263 175.826 176.094 -0.009 0.000 1.379 607 V CA 0.544 62.939 62.300 0.158 0.000 1.019 607 V CB 1.647 33.618 31.823 0.247 0.000 1.115 607 V HN 1.706 nan 8.190 nan 0.000 0.442 608 G N 2.814 111.456 108.800 -0.263 0.000 2.435 608 G HA2 0.727 4.676 3.960 -0.017 0.000 0.228 608 G HA3 0.727 4.676 3.960 -0.017 0.000 0.228 608 G C -1.412 172.911 174.900 -0.961 0.000 1.198 608 G CA 0.261 44.994 45.100 -0.611 0.000 0.948 608 G HN 1.983 nan 8.290 nan 0.000 0.487 609 F N -0.988 118.572 119.950 -0.649 0.000 2.807 609 F HA 0.843 5.359 4.527 -0.017 0.000 0.316 609 F C -1.126 174.636 175.800 -0.063 0.000 1.162 609 F CA -0.935 56.862 58.000 -0.339 0.000 0.910 609 F CB 1.411 40.234 39.000 -0.295 0.000 1.314 609 F HN 0.838 nan 8.300 nan 0.000 0.454 610 K N 0.888 121.436 120.400 0.247 0.000 2.555 610 K HA 0.831 5.141 4.320 -0.017 0.000 0.279 610 K C -2.491 174.342 176.600 0.389 0.000 0.986 610 K CA -1.042 55.374 56.287 0.216 0.000 0.880 610 K CB 2.613 35.201 32.500 0.146 0.000 1.474 610 K HN 0.726 nan 8.250 nan 0.000 0.433 611 L N 1.432 122.885 121.223 0.384 0.000 2.385 611 L HA 0.565 4.895 4.340 -0.017 0.000 0.273 611 L C -0.516 176.636 176.870 0.470 0.000 0.990 611 L CA -0.561 54.543 54.840 0.440 0.000 0.821 611 L CB 2.033 44.359 42.059 0.446 0.000 1.279 611 L HN 0.558 nan 8.230 nan 0.000 0.412 612 R N 3.166 123.876 120.500 0.351 0.000 2.711 612 R HA 0.558 4.888 4.340 -0.017 0.000 0.284 612 R C -2.583 173.516 176.300 -0.335 0.000 0.968 612 R CA -1.902 54.274 56.100 0.128 0.000 0.924 612 R CB 1.891 32.271 30.300 0.133 0.000 1.162 612 R HN 0.299 nan 8.270 nan 0.000 0.465 613 P HA -0.011 nan 4.420 nan 0.000 0.268 613 P C -0.725 176.365 177.300 -0.350 0.000 1.205 613 P CA 0.125 62.600 63.100 -1.040 0.000 0.771 613 P CB 0.766 32.183 31.700 -0.472 0.000 0.858 614 E N 1.720 121.773 120.200 -0.244 0.000 2.731 614 E HA 0.437 4.777 4.350 -0.017 0.000 0.248 614 E C 0.658 177.256 176.600 -0.003 0.000 1.084 614 E CA -0.371 55.993 56.400 -0.061 0.000 0.776 614 E CB -0.527 29.155 29.700 -0.029 0.000 1.404 614 E HN 0.678 nan 8.360 nan 0.000 0.395 615 G N 3.426 112.237 108.800 0.018 0.000 2.160 615 G HA2 -0.368 3.582 3.960 -0.017 0.000 0.251 615 G HA3 -0.368 3.582 3.960 -0.017 0.000 0.251 615 G C 0.541 175.447 174.900 0.010 0.000 1.008 615 G CA 0.453 45.566 45.100 0.021 0.000 0.724 615 G HN 0.539 nan 8.290 nan 0.000 0.514 616 F N 0.117 119.952 119.950 -0.192 0.000 2.163 616 F HA 0.443 4.960 4.527 -0.017 0.000 0.297 616 F C 1.360 176.884 175.800 -0.460 0.000 1.094 616 F CA 0.680 58.465 58.000 -0.358 0.000 1.290 616 F CB 0.010 38.677 39.000 -0.556 0.000 1.017 616 F HN 0.123 nan 8.300 nan 0.000 0.483 617 F N 0.346 120.310 119.950 0.024 0.000 2.411 617 F HA 0.227 4.744 4.527 -0.018 0.000 0.324 617 F C 1.359 177.119 175.800 -0.068 0.000 1.086 617 F CA -0.773 57.190 58.000 -0.062 0.000 1.028 617 F CB 0.301 39.277 39.000 -0.040 0.000 1.284 617 F HN -0.274 nan 8.300 nan 0.000 0.501 618 D N 0.115 120.598 120.400 0.139 0.000 2.340 618 D HA 0.081 4.711 4.640 -0.017 0.000 0.220 618 D C 0.269 176.601 176.300 0.054 0.000 1.039 618 D CA 0.544 54.578 54.000 0.055 0.000 0.866 618 D CB 0.231 41.047 40.800 0.026 0.000 0.913 618 D HN 0.523 nan 8.370 nan 0.000 0.523 619 R N -2.263 118.285 120.500 0.079 0.000 2.979 619 R HA 0.195 4.525 4.340 -0.017 0.000 0.286 619 R C -0.762 175.539 176.300 0.002 0.000 0.972 619 R CA -0.767 55.350 56.100 0.029 0.000 0.828 619 R CB 0.280 30.584 30.300 0.006 0.000 1.368 619 R HN -0.165 nan 8.270 nan 0.000 0.511 620 S N 1.028 116.704 115.700 -0.040 0.000 2.563 620 S HA 0.105 4.565 4.470 -0.017 0.000 0.294 620 S C -1.272 173.222 174.600 -0.176 0.000 1.279 620 S CA -0.758 57.385 58.200 -0.096 0.000 1.069 620 S CB 0.456 63.618 63.200 -0.063 0.000 0.828 620 S HN 0.516 nan 8.310 nan 0.000 0.497 621 P HA 0.111 nan 4.420 nan 0.000 0.257 621 P C 0.497 177.680 177.300 -0.195 0.000 1.281 621 P CA 0.204 63.019 63.100 -0.476 0.000 0.826 621 P CB -0.183 30.729 31.700 -1.314 0.000 1.237 622 V N -4.067 115.783 119.914 -0.107 0.000 3.006 622 V HA 0.249 4.359 4.120 -0.017 0.000 0.357 622 V C 1.503 177.617 176.094 0.033 0.000 1.377 622 V CA -0.109 62.183 62.300 -0.014 0.000 1.198 622 V CB -0.741 31.098 31.823 0.026 0.000 1.216 622 V HN -0.128 nan 8.190 nan 0.000 0.520 623 L N 1.215 122.449 121.223 0.018 0.000 2.376 623 L HA 0.041 4.371 4.340 -0.017 0.000 0.219 623 L C 2.028 178.939 176.870 0.067 0.000 1.133 623 L CA 1.427 56.301 54.840 0.056 0.000 0.816 623 L CB -0.220 41.850 42.059 0.018 0.000 0.933 623 L HN 0.576 nan 8.230 nan 0.000 0.449 624 D N -0.604 119.815 120.400 0.033 0.000 2.325 624 D HA 0.002 4.632 4.640 -0.017 0.000 0.225 624 D C 0.497 176.805 176.300 0.013 0.000 1.096 624 D CA 0.008 54.022 54.000 0.022 0.000 0.844 624 D CB -0.127 40.675 40.800 0.004 0.000 0.925 624 D HN -0.012 nan 8.370 nan 0.000 0.513 625 V N 3.155 123.085 119.914 0.026 0.000 2.488 625 V HA 0.225 4.335 4.120 -0.017 0.000 0.277 625 V C -1.632 174.461 176.094 -0.003 0.000 1.046 625 V CA -1.186 61.118 62.300 0.007 0.000 0.986 625 V CB 1.155 32.990 31.823 0.020 0.000 0.989 625 V HN 0.163 nan 8.190 nan 0.000 0.475 626 P HA 0.232 nan 4.420 nan 0.000 0.274 626 P C 0.398 177.661 177.300 -0.062 0.000 1.246 626 P CA -0.305 62.776 63.100 -0.031 0.000 0.795 626 P CB 1.400 33.087 31.700 -0.021 0.000 1.006 627 A N 1.743 124.517 122.820 -0.077 0.000 1.898 627 A HA -0.118 4.192 4.320 -0.017 0.000 0.216 627 A C 0.961 178.507 177.584 -0.064 0.000 1.181 627 A CA 0.989 52.964 52.037 -0.104 0.000 0.620 627 A CB -1.632 17.309 19.000 -0.100 0.000 0.819 627 A HN 0.791 nan 8.150 nan 0.000 0.442 628 N N 0.000 118.677 118.700 -0.039 0.000 1.763 628 N HA 0.000 4.730 4.740 -0.017 0.000 0.220 628 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 628 N CB 0.000 38.481 38.487 -0.011 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667