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 1av4_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.579 177.584 -0.008 0.000 1.274 9 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 9 A CB 0.000 19.002 19.000 0.003 0.000 0.831 10 S N 1.132 116.838 115.700 0.009 0.000 2.564 10 S HA 0.498 4.940 4.470 -0.046 0.000 0.278 10 S C -1.191 173.386 174.600 -0.038 0.000 1.333 10 S CA -0.688 57.526 58.200 0.024 0.000 1.048 10 S CB 0.626 63.884 63.200 0.097 0.000 0.900 10 S HN 0.489 nan 8.310 nan 0.000 0.505 11 P HA 0.074 nan 4.420 nan 0.000 0.241 11 P C 0.189 177.166 177.300 -0.538 0.000 1.191 11 P CA 0.654 63.539 63.100 -0.359 0.000 0.771 11 P CB -0.077 31.328 31.700 -0.492 0.000 0.929 12 F N 0.606 120.473 119.950 -0.138 0.000 2.639 12 F HA 0.219 4.718 4.527 -0.046 0.000 0.302 12 F C 1.543 177.272 175.800 -0.118 0.000 1.097 12 F CA -0.769 57.100 58.000 -0.220 0.000 1.294 12 F CB -0.166 38.676 39.000 -0.264 0.000 1.027 12 F HN -0.170 nan 8.300 nan 0.000 0.550 13 R N 0.746 121.274 120.500 0.048 0.000 2.738 13 R HA 0.290 4.602 4.340 -0.046 0.000 0.268 13 R C -0.149 176.175 176.300 0.041 0.000 1.062 13 R CA -0.490 55.644 56.100 0.057 0.000 1.158 13 R CB 0.487 30.810 30.300 0.037 0.000 1.046 13 R HN 0.144 nan 8.270 nan 0.000 0.493 14 L N 1.543 122.802 121.223 0.061 0.000 2.461 14 L HA 0.167 4.480 4.340 -0.046 0.000 0.272 14 L C 0.793 177.705 176.870 0.069 0.000 1.197 14 L CA -0.340 54.541 54.840 0.068 0.000 0.836 14 L CB 0.623 42.720 42.059 0.063 0.000 1.105 14 L HN 0.847 nan 8.230 nan 0.000 0.477 15 A N 2.475 125.354 122.820 0.099 0.000 2.498 15 A HA 0.360 4.653 4.320 -0.046 0.000 0.239 15 A C 0.350 178.001 177.584 0.113 0.000 1.068 15 A CA -0.155 51.986 52.037 0.173 0.000 0.766 15 A CB 0.157 19.334 19.000 0.296 0.000 1.003 15 A HN 0.771 nan 8.150 nan 0.000 0.497 16 S N 1.112 116.872 115.700 0.100 0.000 2.681 16 S HA 0.651 5.094 4.470 -0.046 0.000 0.299 16 S C 1.153 175.762 174.600 0.014 0.000 1.113 16 S CA -0.204 58.023 58.200 0.045 0.000 1.013 16 S CB 1.527 64.748 63.200 0.036 0.000 1.076 16 S HN 1.599 nan 8.310 nan 0.000 0.534 17 A N 1.492 124.310 122.820 -0.002 0.000 1.883 17 A HA 0.091 4.383 4.320 -0.046 0.000 0.217 17 A C 2.164 179.727 177.584 -0.035 0.000 1.186 17 A CA 1.947 53.972 52.037 -0.020 0.000 0.624 17 A CB -1.875 17.116 19.000 -0.014 0.000 0.822 17 A HN 1.244 nan 8.150 nan 0.000 0.444 18 G N -0.714 108.071 108.800 -0.025 0.000 2.462 18 G HA2 -0.204 3.728 3.960 -0.046 0.000 0.220 18 G HA3 -0.204 3.728 3.960 -0.046 0.000 0.220 18 G C 1.411 176.274 174.900 -0.061 0.000 1.121 18 G CA 1.020 46.099 45.100 -0.034 0.000 0.758 18 G HN 0.694 nan 8.290 nan 0.000 0.559 19 E N -0.115 120.045 120.200 -0.066 0.000 2.112 19 E HA -0.021 4.302 4.350 -0.046 0.000 0.190 19 E C 2.502 178.906 176.600 -0.326 0.000 0.979 19 E CA 0.256 56.570 56.400 -0.144 0.000 0.814 19 E CB -0.006 29.684 29.700 -0.017 0.000 0.762 19 E HN 0.318 nan 8.360 nan 0.000 0.460 20 I N 1.190 121.612 120.570 -0.247 0.000 2.179 20 I HA -0.215 3.927 4.170 -0.046 0.000 0.242 20 I C 2.321 178.320 176.117 -0.196 0.000 1.088 20 I CA 1.155 62.299 61.300 -0.260 0.000 1.357 20 I CB -1.256 36.663 38.000 -0.135 0.000 1.051 20 I HN -0.016 nan 8.210 nan 0.000 0.409 21 S N 0.578 116.201 115.700 -0.127 0.000 2.370 21 S HA -0.181 4.262 4.470 -0.046 0.000 0.226 21 S C 1.870 176.409 174.600 -0.101 0.000 1.033 21 S CA 1.210 59.357 58.200 -0.089 0.000 1.011 21 S CB -0.182 62.982 63.200 -0.059 0.000 0.852 21 S HN 0.421 nan 8.310 nan 0.000 0.457 22 E N 0.827 120.952 120.200 -0.125 0.000 2.077 22 E HA -0.083 4.239 4.350 -0.046 0.000 0.193 22 E C 2.271 178.787 176.600 -0.140 0.000 0.989 22 E CA 0.783 57.114 56.400 -0.116 0.000 0.800 22 E CB -0.495 29.139 29.700 -0.110 0.000 0.746 22 E HN 0.368 nan 8.360 nan 0.000 0.452 23 V N 1.270 121.046 119.914 -0.229 0.000 2.407 23 V HA -0.254 3.839 4.120 -0.046 0.000 0.248 23 V C 2.617 178.636 176.094 -0.125 0.000 1.055 23 V CA 1.934 64.101 62.300 -0.221 0.000 1.049 23 V CB -0.540 31.062 31.823 -0.369 0.000 0.662 23 V HN 0.278 nan 8.190 nan 0.000 0.455 24 Q N 0.370 120.104 119.800 -0.109 0.000 2.046 24 Q HA -0.150 4.163 4.340 -0.046 0.000 0.200 24 Q C 2.297 178.274 176.000 -0.038 0.000 0.975 24 Q CA 1.994 57.764 55.803 -0.056 0.000 0.836 24 Q CB -0.474 28.241 28.738 -0.039 0.000 0.896 24 Q HN 0.629 nan 8.270 nan 0.000 0.428 25 G N 0.874 109.647 108.800 -0.046 0.000 2.422 25 G HA2 -0.223 3.710 3.960 -0.046 0.000 0.218 25 G HA3 -0.223 3.710 3.960 -0.046 0.000 0.218 25 G C 1.375 176.258 174.900 -0.028 0.000 1.146 25 G CA 0.844 45.925 45.100 -0.033 0.000 0.769 25 G HN 0.365 nan 8.290 nan 0.000 0.547 26 I N 0.164 120.711 120.570 -0.037 0.000 2.353 26 I HA -0.044 4.099 4.170 -0.046 0.000 0.248 26 I C 2.587 178.695 176.117 -0.016 0.000 1.119 26 I CA 0.524 61.808 61.300 -0.026 0.000 1.417 26 I CB -0.096 37.886 38.000 -0.031 0.000 1.078 26 I HN 0.113 nan 8.210 nan 0.000 0.421 27 L N -0.039 121.173 121.223 -0.019 0.000 2.109 27 L HA -0.128 4.185 4.340 -0.046 0.000 0.207 27 L C 2.721 179.591 176.870 -0.000 0.000 1.086 27 L CA 1.108 55.945 54.840 -0.005 0.000 0.760 27 L CB -0.506 41.551 42.059 -0.005 0.000 0.910 27 L HN 0.138 nan 8.230 nan 0.000 0.437 28 R N -0.472 120.026 120.500 -0.003 0.000 2.070 28 R HA -0.126 4.187 4.340 -0.046 0.000 0.233 28 R C 2.315 178.615 176.300 -0.001 0.000 1.137 28 R CA 1.973 58.073 56.100 0.001 0.000 0.945 28 R CB -0.620 29.680 30.300 -0.000 0.000 0.845 28 R HN 0.269 nan 8.270 nan 0.000 0.430 29 T N 0.746 115.297 114.554 -0.005 0.000 2.759 29 T HA -0.150 4.172 4.350 -0.046 0.000 0.269 29 T C 1.712 176.411 174.700 -0.002 0.000 1.042 29 T CA 1.466 63.563 62.100 -0.005 0.000 1.140 29 T CB -0.159 68.704 68.868 -0.007 0.000 0.864 29 T HN 0.372 nan 8.240 nan 0.000 0.455 30 A N 0.292 123.111 122.820 -0.001 0.000 2.206 30 A HA 0.476 4.769 4.320 -0.046 0.000 0.211 30 A C 1.884 179.470 177.584 0.002 0.000 1.158 30 A CA 0.874 52.912 52.037 0.002 0.000 0.761 30 A CB -0.771 18.232 19.000 0.004 0.000 0.801 30 A HN 0.775 nan 8.150 nan 0.000 0.473 31 G N -1.252 107.549 108.800 0.002 0.000 2.160 31 G HA2 -0.230 3.702 3.960 -0.046 0.000 0.244 31 G HA3 -0.230 3.702 3.960 -0.046 0.000 0.244 31 G C 0.501 175.403 174.900 0.003 0.000 1.022 31 G CA 0.498 45.599 45.100 0.002 0.000 0.741 31 G HN 0.509 nan 8.290 nan 0.000 0.508 32 L N -1.105 120.122 121.223 0.007 0.000 2.638 32 L HA 0.424 4.736 4.340 -0.046 0.000 0.232 32 L C 1.449 178.327 176.870 0.012 0.000 1.099 32 L CA 0.088 54.934 54.840 0.010 0.000 0.883 32 L CB 0.404 42.473 42.059 0.016 0.000 1.136 32 L HN 0.237 nan 8.230 nan 0.000 0.492 33 L N 1.186 122.417 121.223 0.014 0.000 2.784 33 L HA 0.409 4.721 4.340 -0.046 0.000 0.241 33 L C 0.622 177.510 176.870 0.030 0.000 1.352 33 L CA -0.273 54.581 54.840 0.024 0.000 0.911 33 L CB 0.568 42.643 42.059 0.027 0.000 1.227 33 L HN 0.071 nan 8.230 nan 0.000 0.501 34 G N 0.834 109.647 108.800 0.021 0.000 2.621 34 G HA2 0.228 4.161 3.960 -0.046 0.000 0.271 34 G HA3 0.228 4.161 3.960 -0.046 0.000 0.271 34 G C -1.332 173.594 174.900 0.043 0.000 1.236 34 G CA -0.626 44.487 45.100 0.022 0.000 0.958 34 G HN 0.281 nan 8.290 nan 0.000 0.512 35 P HA -0.063 nan 4.420 nan 0.000 0.222 35 P C 0.787 178.132 177.300 0.076 0.000 1.147 35 P CA 1.099 64.237 63.100 0.064 0.000 0.790 35 P CB 0.418 32.137 31.700 0.033 0.000 0.780 36 E N -0.822 119.398 120.200 0.033 0.000 2.465 36 E HA 0.055 4.378 4.350 -0.046 0.000 0.191 36 E C 0.231 176.815 176.600 -0.028 0.000 1.053 36 E CA 0.078 56.482 56.400 0.007 0.000 0.869 36 E CB 0.129 29.817 29.700 -0.020 0.000 0.977 36 E HN 0.124 nan 8.360 nan 0.000 0.483 37 K N 0.975 121.374 120.400 -0.002 0.000 2.123 37 K HA 0.425 4.718 4.320 -0.046 0.000 0.259 37 K C -0.122 176.465 176.600 -0.023 0.000 0.960 37 K CA -0.623 55.647 56.287 -0.028 0.000 0.872 37 K CB 1.455 33.951 32.500 -0.007 0.000 1.079 37 K HN -0.123 nan 8.250 nan 0.000 0.440 38 R N 1.617 122.095 120.500 -0.038 0.000 2.673 38 R HA 0.477 4.790 4.340 -0.046 0.000 0.281 38 R C -0.136 176.154 176.300 -0.018 0.000 0.991 38 R CA -0.780 55.270 56.100 -0.084 0.000 0.896 38 R CB 1.359 31.628 30.300 -0.051 0.000 1.201 38 R HN 0.586 nan 8.270 nan 0.000 0.457 39 I N 2.197 122.723 120.570 -0.073 0.000 2.301 39 I HA 0.131 4.273 4.170 -0.046 0.000 0.292 39 I C 1.249 177.371 176.117 0.009 0.000 1.046 39 I CA -0.019 61.276 61.300 -0.010 0.000 1.282 39 I CB 1.599 39.572 38.000 -0.047 0.000 1.409 39 I HN 0.727 nan 8.210 nan 0.000 0.484 40 A N 6.705 129.595 122.820 0.117 0.000 2.030 40 A HA 0.009 4.301 4.320 -0.046 0.000 0.215 40 A C 0.330 178.056 177.584 0.237 0.000 1.164 40 A CA 0.922 53.048 52.037 0.149 0.000 0.697 40 A CB 0.209 19.329 19.000 0.201 0.000 0.827 40 A HN 0.685 nan 8.150 nan 0.000 0.457 41 Y N -1.917 118.441 120.300 0.098 0.000 2.480 41 Y HA 0.562 5.084 4.550 -0.046 0.000 0.329 41 Y C -1.769 174.050 175.900 -0.134 0.000 1.127 41 Y CA -1.160 56.920 58.100 -0.034 0.000 1.037 41 Y CB 1.242 39.649 38.460 -0.088 0.000 1.320 41 Y HN 0.193 nan 8.280 nan 0.000 0.446 42 L N 5.506 126.081 121.223 -1.079 0.000 2.505 42 L HA 0.985 5.297 4.340 -0.046 0.000 0.266 42 L C -1.251 175.146 176.870 -0.788 0.000 0.954 42 L CA -0.178 54.218 54.840 -0.739 0.000 0.852 42 L CB 2.043 43.932 42.059 -0.285 0.000 1.282 42 L HN 0.954 nan 8.230 nan 0.000 0.403 43 G N 2.811 111.335 108.800 -0.461 0.000 2.673 43 G HA2 0.512 4.444 3.960 -0.046 0.000 0.292 43 G HA3 0.512 4.444 3.960 -0.046 0.000 0.292 43 G C -1.156 173.666 174.900 -0.131 0.000 1.450 43 G CA -0.227 44.763 45.100 -0.183 0.000 0.837 43 G HN 0.799 nan 8.290 nan 0.000 0.505 44 V N -0.556 119.160 119.914 -0.331 0.000 2.715 44 V HA 0.635 4.728 4.120 -0.046 0.000 0.299 44 V C 0.384 176.283 176.094 -0.324 0.000 1.054 44 V CA -0.635 61.248 62.300 -0.695 0.000 1.077 44 V CB 0.804 32.244 31.823 -0.639 0.000 0.972 44 V HN 0.613 nan 8.190 nan 0.000 0.484 45 L N 2.909 123.937 121.223 -0.325 0.000 2.334 45 L HA 0.469 4.781 4.340 -0.046 0.000 0.277 45 L C 0.195 176.958 176.870 -0.178 0.000 1.075 45 L CA -0.530 54.212 54.840 -0.163 0.000 0.804 45 L CB 1.141 43.129 42.059 -0.118 0.000 1.174 45 L HN 0.701 nan 8.230 nan 0.000 0.438 46 D N 3.036 123.381 120.400 -0.090 0.000 2.382 46 D HA 0.196 4.809 4.640 -0.046 0.000 0.245 46 D C -1.992 174.227 176.300 -0.134 0.000 1.120 46 D CA -0.852 53.096 54.000 -0.087 0.000 0.890 46 D CB 0.625 41.473 40.800 0.081 0.000 1.201 46 D HN 0.227 nan 8.370 nan 0.000 0.433 47 P HA 0.113 nan 4.420 nan 0.000 0.266 47 P C -0.698 176.546 177.300 -0.092 0.000 1.193 47 P CA -0.102 62.862 63.100 -0.226 0.000 0.770 47 P CB 0.490 31.962 31.700 -0.380 0.000 0.836 48 A N 2.516 125.291 122.820 -0.076 0.000 2.386 48 A HA 0.079 4.372 4.320 -0.046 0.000 0.246 48 A C 1.668 179.216 177.584 -0.060 0.000 1.089 48 A CA -0.016 51.996 52.037 -0.041 0.000 0.790 48 A CB 0.108 19.086 19.000 -0.038 0.000 1.042 48 A HN 0.459 nan 8.150 nan 0.000 0.497 49 R N 1.128 121.583 120.500 -0.074 0.000 2.103 49 R HA -0.102 4.211 4.340 -0.046 0.000 0.242 49 R C 1.568 177.773 176.300 -0.158 0.000 1.142 49 R CA 1.799 57.789 56.100 -0.183 0.000 0.960 49 R CB -0.743 29.435 30.300 -0.204 0.000 0.858 49 R HN 0.792 nan 8.270 nan 0.000 0.439 50 G N -0.980 107.762 108.800 -0.096 0.000 3.458 50 G HA2 0.344 4.276 3.960 -0.046 0.000 0.256 50 G HA3 0.344 4.276 3.960 -0.046 0.000 0.256 50 G C 0.141 175.008 174.900 -0.055 0.000 0.938 50 G CA 0.207 45.262 45.100 -0.074 0.000 1.890 50 G HN 0.352 nan 8.290 nan 0.000 0.639 51 A N 0.584 123.372 122.820 -0.052 0.000 2.346 51 A HA 0.410 4.702 4.320 -0.046 0.000 0.242 51 A C 1.950 179.521 177.584 -0.021 0.000 1.323 51 A CA 0.402 52.416 52.037 -0.038 0.000 0.940 51 A CB 0.022 19.008 19.000 -0.024 0.000 0.943 51 A HN 0.549 nan 8.150 nan 0.000 0.501 52 G N -0.473 108.314 108.800 -0.021 0.000 3.155 52 G HA2 0.286 4.218 3.960 -0.046 0.000 0.213 52 G HA3 0.286 4.218 3.960 -0.046 0.000 0.213 52 G C 0.283 175.175 174.900 -0.014 0.000 1.196 52 G CA 0.203 45.296 45.100 -0.011 0.000 0.846 52 G HN 0.412 nan 8.290 nan 0.000 0.516 53 S N -0.063 115.624 115.700 -0.022 0.000 2.593 53 S HA 0.340 4.783 4.470 -0.046 0.000 0.297 53 S C 0.507 175.091 174.600 -0.027 0.000 1.112 53 S CA -0.684 57.502 58.200 -0.024 0.000 1.043 53 S CB 1.874 65.057 63.200 -0.029 0.000 1.054 53 S HN 0.217 nan 8.310 nan 0.000 0.516 54 E N 0.942 121.128 120.200 -0.023 0.000 2.502 54 E HA 0.086 4.409 4.350 -0.046 0.000 0.194 54 E C 0.492 177.073 176.600 -0.032 0.000 1.062 54 E CA -0.025 56.361 56.400 -0.025 0.000 0.867 54 E CB -0.384 29.306 29.700 -0.018 0.000 0.888 54 E HN 0.621 nan 8.360 nan 0.000 0.510 55 A N 2.389 125.187 122.820 -0.035 0.000 2.618 55 A HA -0.017 4.275 4.320 -0.046 0.000 0.293 55 A C 0.564 178.114 177.584 -0.057 0.000 1.413 55 A CA -0.028 51.985 52.037 -0.040 0.000 1.074 55 A CB -0.498 18.480 19.000 -0.037 0.000 1.087 55 A HN -0.066 nan 8.150 nan 0.000 0.553 56 E N 2.583 122.751 120.200 -0.053 0.000 2.346 56 E HA 0.052 4.374 4.350 -0.046 0.000 0.317 56 E C -0.428 176.134 176.600 -0.063 0.000 1.404 56 E CA -0.158 56.200 56.400 -0.070 0.000 1.534 56 E CB -0.412 29.255 29.700 -0.055 0.000 1.309 56 E HN 0.509 nan 8.360 nan 0.000 0.499 57 D N 1.675 122.033 120.400 -0.069 0.000 2.435 57 D HA 0.038 4.650 4.640 -0.046 0.000 0.230 57 D C -0.526 175.730 176.300 -0.073 0.000 1.215 57 D CA -0.421 53.548 54.000 -0.053 0.000 0.947 57 D CB 0.014 40.787 40.800 -0.046 0.000 1.048 57 D HN 0.093 nan 8.370 nan 0.000 0.512 58 R N 3.166 123.637 120.500 -0.048 0.000 2.309 58 R HA 0.241 4.554 4.340 -0.046 0.000 0.331 58 R C -0.104 176.192 176.300 -0.007 0.000 1.116 58 R CA -0.170 55.891 56.100 -0.065 0.000 0.970 58 R CB 0.069 30.374 30.300 0.008 0.000 1.024 58 R HN 0.285 nan 8.270 nan 0.000 0.472 59 R N 3.456 123.887 120.500 -0.115 0.000 2.668 59 R HA 0.449 4.761 4.340 -0.046 0.000 0.279 59 R C -0.879 175.305 176.300 -0.193 0.000 0.976 59 R CA -0.615 55.464 56.100 -0.036 0.000 0.978 59 R CB 1.321 31.595 30.300 -0.045 0.000 1.133 59 R HN 0.325 nan 8.270 nan 0.000 0.484 60 F N 0.305 120.232 119.950 -0.038 0.000 2.551 60 F HA 0.447 4.947 4.527 -0.046 0.000 0.316 60 F C 0.257 176.038 175.800 -0.033 0.000 1.089 60 F CA -0.823 57.148 58.000 -0.048 0.000 0.915 60 F CB 1.915 40.875 39.000 -0.066 0.000 1.186 60 F HN 0.177 nan 8.300 nan 0.000 0.456 61 R N 2.170 122.740 120.500 0.117 0.000 2.346 61 R HA 0.835 5.148 4.340 -0.046 0.000 0.311 61 R C -1.825 174.485 176.300 0.017 0.000 0.983 61 R CA -0.498 55.652 56.100 0.083 0.000 0.880 61 R CB 1.363 31.714 30.300 0.085 0.000 1.100 61 R HN 0.559 nan 8.270 nan 0.000 0.453 62 V N 4.781 124.720 119.914 0.042 0.000 2.709 62 V HA 0.482 4.575 4.120 -0.046 0.000 0.308 62 V C -1.085 175.149 176.094 0.233 0.000 1.062 62 V CA -0.846 61.473 62.300 0.031 0.000 0.901 62 V CB 1.909 33.762 31.823 0.049 0.000 1.003 62 V HN 0.565 nan 8.190 nan 0.000 0.425 63 F N 4.164 124.256 119.950 0.236 0.000 2.388 63 F HA 0.612 5.112 4.527 -0.046 0.000 0.358 63 F C 0.143 176.020 175.800 0.128 0.000 1.122 63 F CA -1.627 56.504 58.000 0.218 0.000 1.056 63 F CB 1.267 40.445 39.000 0.295 0.000 1.155 63 F HN 0.231 nan 8.300 nan 0.000 0.461 64 I N 4.079 124.814 120.570 0.275 0.000 2.330 64 I HA 0.184 4.327 4.170 -0.046 0.000 0.289 64 I C -0.214 175.975 176.117 0.121 0.000 1.001 64 I CA -0.706 60.685 61.300 0.152 0.000 1.193 64 I CB 1.121 39.175 38.000 0.090 0.000 1.345 64 I HN 0.504 nan 8.210 nan 0.000 0.461 65 H N 6.175 125.251 119.070 0.011 0.000 2.481 65 H HA 0.277 4.806 4.556 -0.046 0.000 0.339 65 H C -0.993 174.315 175.328 -0.033 0.000 1.131 65 H CA -0.295 55.736 56.048 -0.028 0.000 1.301 65 H CB 1.281 31.019 29.762 -0.040 0.000 1.476 65 H HN 0.519 nan 8.280 nan 0.000 0.529 66 D N 4.100 124.060 120.400 -0.734 0.000 2.381 66 D HA 0.091 4.703 4.640 -0.046 0.000 0.235 66 D C 0.450 176.273 176.300 -0.795 0.000 1.068 66 D CA -0.395 53.274 54.000 -0.551 0.000 0.832 66 D CB 1.779 42.416 40.800 -0.272 0.000 1.101 66 D HN 0.450 nan 8.370 nan 0.000 0.515 67 V N 3.354 122.994 119.914 -0.458 0.000 2.970 67 V HA -0.147 3.946 4.120 -0.046 0.000 0.260 67 V C 1.946 177.976 176.094 -0.106 0.000 1.100 67 V CA 1.954 64.129 62.300 -0.209 0.000 1.122 67 V CB -0.088 31.705 31.823 -0.050 0.000 0.721 67 V HN 0.645 nan 8.190 nan 0.000 0.483 68 S N -0.937 114.692 115.700 -0.119 0.000 2.582 68 S HA 0.381 4.824 4.470 -0.046 0.000 0.234 68 S C 1.366 175.926 174.600 -0.067 0.000 0.961 68 S CA 0.490 58.650 58.200 -0.067 0.000 0.953 68 S CB 0.675 63.845 63.200 -0.050 0.000 0.800 68 S HN 0.991 nan 8.310 nan 0.000 0.471 69 G N 0.484 109.230 108.800 -0.091 0.000 2.176 69 G HA2 -0.124 3.808 3.960 -0.046 0.000 0.253 69 G HA3 -0.124 3.808 3.960 -0.046 0.000 0.253 69 G C 0.368 175.224 174.900 -0.073 0.000 0.979 69 G CA -0.112 44.949 45.100 -0.065 0.000 0.641 69 G HN 1.278 nan 8.290 nan 0.000 0.530 70 A N 0.042 122.805 122.820 -0.094 0.000 2.346 70 A HA 0.717 5.009 4.320 -0.046 0.000 0.252 70 A C 0.882 178.412 177.584 -0.089 0.000 1.089 70 A CA -0.041 51.948 52.037 -0.080 0.000 0.797 70 A CB 0.283 19.237 19.000 -0.076 0.000 1.047 70 A HN 0.518 nan 8.150 nan 0.000 0.494 71 R N 1.165 121.620 120.500 -0.075 0.000 2.570 71 R HA 0.166 4.478 4.340 -0.046 0.000 0.277 71 R C -2.094 174.156 176.300 -0.083 0.000 1.039 71 R CA -0.813 55.239 56.100 -0.081 0.000 1.065 71 R CB 0.064 30.319 30.300 -0.074 0.000 0.964 71 R HN 0.590 nan 8.270 nan 0.000 0.428 72 P HA 0.048 nan 4.420 nan 0.000 0.274 72 P C -1.061 176.199 177.300 -0.068 0.000 1.256 72 P CA -0.245 62.813 63.100 -0.070 0.000 0.795 72 P CB 0.921 32.575 31.700 -0.076 0.000 1.038 73 Q N -0.622 119.172 119.800 -0.011 0.000 2.423 73 Q HA 0.380 4.693 4.340 -0.046 0.000 0.278 73 Q C -0.819 175.256 176.000 0.126 0.000 1.097 73 Q CA -0.692 55.127 55.803 0.027 0.000 0.809 73 Q CB 2.587 31.347 28.738 0.037 0.000 1.391 73 Q HN 0.440 nan 8.270 nan 0.000 0.428 74 E N 1.607 121.901 120.200 0.158 0.000 2.145 74 E HA 0.475 4.797 4.350 -0.046 0.000 0.270 74 E C -1.539 175.197 176.600 0.227 0.000 0.906 74 E CA -0.507 56.087 56.400 0.325 0.000 0.761 74 E CB 1.407 31.316 29.700 0.347 0.000 1.116 74 E HN 0.298 nan 8.360 nan 0.000 0.408 75 V N 3.326 123.376 119.914 0.228 0.000 2.709 75 V HA 0.365 4.457 4.120 -0.046 0.000 0.308 75 V C -0.309 175.863 176.094 0.130 0.000 1.062 75 V CA -0.806 61.580 62.300 0.143 0.000 0.901 75 V CB 2.200 34.086 31.823 0.105 0.000 1.003 75 V HN 0.683 nan 8.190 nan 0.000 0.425 76 T N 3.824 118.439 114.554 0.103 0.000 2.779 76 T HA 0.655 4.978 4.350 -0.046 0.000 0.280 76 T C -0.424 174.325 174.700 0.081 0.000 0.987 76 T CA -0.369 61.787 62.100 0.093 0.000 0.966 76 T CB 1.543 70.456 68.868 0.075 0.000 0.933 76 T HN 0.380 nan 8.240 nan 0.000 0.442 77 V N 2.523 122.499 119.914 0.103 0.000 2.628 77 V HA 0.623 4.716 4.120 -0.046 0.000 0.306 77 V C 0.124 176.290 176.094 0.120 0.000 1.045 77 V CA -0.867 61.486 62.300 0.089 0.000 0.905 77 V CB 2.119 33.979 31.823 0.061 0.000 0.997 77 V HN 0.872 nan 8.190 nan 0.000 0.436 78 S N 2.942 118.689 115.700 0.078 0.000 2.474 78 S HA 0.290 4.732 4.470 -0.046 0.000 0.320 78 S C 0.712 175.356 174.600 0.073 0.000 1.067 78 S CA -0.537 57.710 58.200 0.078 0.000 1.127 78 S CB 1.124 64.347 63.200 0.039 0.000 0.971 78 S HN 0.470 nan 8.310 nan 0.000 0.472 79 V N 5.110 125.099 119.914 0.125 0.000 2.759 79 V HA -0.087 4.005 4.120 -0.046 0.000 0.256 79 V C 2.447 178.568 176.094 0.045 0.000 1.080 79 V CA 2.150 64.492 62.300 0.070 0.000 1.101 79 V CB -0.941 30.953 31.823 0.118 0.000 0.698 79 V HN 0.844 nan 8.190 nan 0.000 0.477 80 T N 0.716 115.300 114.554 0.049 0.000 2.668 80 T HA -0.161 4.161 4.350 -0.046 0.000 0.262 80 T C 1.604 176.310 174.700 0.011 0.000 1.045 80 T CA 2.154 64.268 62.100 0.022 0.000 1.152 80 T CB -0.351 68.523 68.868 0.011 0.000 0.864 80 T HN 0.637 nan 8.240 nan 0.000 0.419 81 N N 0.101 118.807 118.700 0.011 0.000 2.446 81 N HA 0.244 4.957 4.740 -0.046 0.000 0.179 81 N C 1.117 176.629 175.510 0.004 0.000 1.054 81 N CA 0.358 53.411 53.050 0.006 0.000 0.905 81 N CB 0.264 38.754 38.487 0.005 0.000 0.973 81 N HN 0.451 nan 8.380 nan 0.000 0.448 82 G N 1.403 110.207 108.800 0.006 0.000 2.212 82 G HA2 -0.264 3.669 3.960 -0.046 0.000 0.255 82 G HA3 -0.264 3.669 3.960 -0.046 0.000 0.255 82 G C 0.078 174.978 174.900 0.001 0.000 1.062 82 G CA 0.669 45.769 45.100 -0.001 0.000 0.815 82 G HN 0.491 nan 8.290 nan 0.000 0.497 83 T N -3.820 110.739 114.554 0.008 0.000 2.887 83 T HA 0.719 5.042 4.350 -0.046 0.000 0.292 83 T C -0.364 174.346 174.700 0.016 0.000 1.087 83 T CA -0.482 61.624 62.100 0.009 0.000 1.009 83 T CB 2.677 71.550 68.868 0.009 0.000 1.203 83 T HN 0.832 nan 8.240 nan 0.000 0.518 84 V N 2.600 122.524 119.914 0.016 0.000 2.364 84 V HA 0.318 4.410 4.120 -0.046 0.000 0.272 84 V C 1.263 177.372 176.094 0.026 0.000 1.036 84 V CA -0.467 61.847 62.300 0.024 0.000 0.880 84 V CB 0.443 32.279 31.823 0.022 0.000 0.991 84 V HN 0.874 nan 8.190 nan 0.000 0.460 85 I N 3.305 123.894 120.570 0.033 0.000 2.233 85 I HA -0.021 4.122 4.170 -0.046 0.000 0.243 85 I C 0.948 177.083 176.117 0.030 0.000 1.093 85 I CA 1.078 62.395 61.300 0.029 0.000 1.380 85 I CB 0.208 38.226 38.000 0.030 0.000 1.067 85 I HN 0.765 nan 8.210 nan 0.000 0.413 86 S N -0.199 115.525 115.700 0.041 0.000 2.537 86 S HA 0.806 5.249 4.470 -0.046 0.000 0.270 86 S C -0.874 173.759 174.600 0.055 0.000 1.142 86 S CA -0.720 57.506 58.200 0.043 0.000 0.870 86 S CB 2.321 65.548 63.200 0.045 0.000 1.112 86 S HN 0.176 nan 8.310 nan 0.000 0.466 87 A N 1.339 124.188 122.820 0.048 0.000 2.414 87 A HA 0.765 5.057 4.320 -0.046 0.000 0.286 87 A C -0.512 177.099 177.584 0.044 0.000 1.073 87 A CA -0.537 51.532 52.037 0.053 0.000 0.727 87 A CB 1.091 20.115 19.000 0.040 0.000 1.215 87 A HN 2.089 nan 8.150 nan 0.000 0.430 88 V N 0.001 119.947 119.914 0.054 0.000 2.604 88 V HA 0.656 4.749 4.120 -0.046 0.000 0.305 88 V C -0.334 175.766 176.094 0.011 0.000 1.043 88 V CA -0.720 61.600 62.300 0.033 0.000 0.888 88 V CB 1.647 33.496 31.823 0.043 0.000 0.995 88 V HN 0.809 nan 8.190 nan 0.000 0.429 89 E N 3.702 123.894 120.200 -0.013 0.000 2.223 89 E HA 0.368 4.690 4.350 -0.046 0.000 0.282 89 E C -1.057 175.499 176.600 -0.073 0.000 1.046 89 E CA -0.607 55.769 56.400 -0.040 0.000 0.857 89 E CB 1.497 31.174 29.700 -0.039 0.000 1.055 89 E HN 0.503 nan 8.360 nan 0.000 0.409 90 L N 2.750 123.899 121.223 -0.124 0.000 2.399 90 L HA 0.169 4.482 4.340 -0.046 0.000 0.266 90 L C 0.241 176.996 176.870 -0.191 0.000 1.114 90 L CA 0.021 54.738 54.840 -0.206 0.000 0.804 90 L CB 0.705 42.534 42.059 -0.384 0.000 1.146 90 L HN 0.419 nan 8.230 nan 0.000 0.451 91 D N -0.298 119.981 120.400 -0.200 0.000 2.479 91 D HA 0.122 4.735 4.640 -0.046 0.000 0.247 91 D C 1.119 177.287 176.300 -0.221 0.000 1.119 91 D CA -0.099 53.803 54.000 -0.164 0.000 0.922 91 D CB 0.766 41.497 40.800 -0.116 0.000 1.014 91 D HN 0.663 nan 8.370 nan 0.000 0.510 92 T N 0.128 114.535 114.554 -0.245 0.000 2.946 92 T HA -0.132 4.191 4.350 -0.046 0.000 0.271 92 T C 1.726 176.301 174.700 -0.208 0.000 1.104 92 T CA 0.967 62.897 62.100 -0.284 0.000 1.114 92 T CB -0.046 68.669 68.868 -0.255 0.000 0.867 92 T HN 0.241 nan 8.240 nan 0.000 0.513 93 A N 0.762 123.493 122.820 -0.148 0.000 2.067 93 A HA 0.599 4.892 4.320 -0.046 0.000 0.217 93 A C 2.563 180.090 177.584 -0.095 0.000 1.156 93 A CA 1.170 53.146 52.037 -0.101 0.000 0.683 93 A CB -0.826 18.131 19.000 -0.072 0.000 0.808 93 A HN 0.720 nan 8.150 nan 0.000 0.455 94 A N -0.660 122.086 122.820 -0.125 0.000 1.909 94 A HA 0.124 4.416 4.320 -0.046 0.000 0.210 94 A C 2.189 179.669 177.584 -0.173 0.000 1.273 94 A CA 1.743 53.719 52.037 -0.102 0.000 0.654 94 A CB -0.801 18.148 19.000 -0.085 0.000 0.945 94 A HN 0.622 nan 8.150 nan 0.000 0.471 95 T N -3.235 111.145 114.554 -0.290 0.000 3.107 95 T HA 0.472 4.795 4.350 -0.046 0.000 0.249 95 T C 0.860 175.096 174.700 -0.774 0.000 1.096 95 T CA 0.867 62.681 62.100 -0.478 0.000 1.012 95 T CB -0.136 68.595 68.868 -0.229 0.000 0.977 95 T HN 1.923 nan 8.240 nan 0.000 0.527 96 G N 0.936 109.402 108.800 -0.556 0.000 2.587 96 G HA2 0.071 4.004 3.960 -0.046 0.000 0.686 96 G HA3 0.071 4.004 3.960 -0.046 0.000 0.686 96 G C -1.145 173.551 174.900 -0.341 0.000 1.236 96 G CA -1.073 43.805 45.100 -0.371 0.000 0.820 96 G HN 0.243 nan 8.290 nan 0.000 0.645 97 E N -0.137 119.935 120.200 -0.212 0.000 2.345 97 E HA 0.529 4.852 4.350 -0.046 0.000 0.259 97 E C 1.140 177.625 176.600 -0.192 0.000 1.117 97 E CA -0.519 55.751 56.400 -0.217 0.000 0.913 97 E CB 0.877 30.489 29.700 -0.147 0.000 1.057 97 E HN 0.518 nan 8.360 nan 0.000 0.432 98 L N 2.257 123.360 121.223 -0.199 0.000 2.466 98 L HA 0.220 4.533 4.340 -0.046 0.000 0.257 98 L C -1.799 175.040 176.870 -0.053 0.000 1.189 98 L CA -1.784 52.994 54.840 -0.102 0.000 0.813 98 L CB -0.061 41.945 42.059 -0.088 0.000 1.118 98 L HN 0.205 nan 8.230 nan 0.000 0.471 99 P HA 0.013 nan 4.420 nan 0.000 0.269 99 P C -0.462 176.791 177.300 -0.077 0.000 1.209 99 P CA -0.222 62.881 63.100 0.005 0.000 0.776 99 P CB 0.560 32.324 31.700 0.106 0.000 0.876 100 V N 3.625 123.455 119.914 -0.140 0.000 2.788 100 V HA -0.070 4.022 4.120 -0.046 0.000 0.307 100 V C 1.108 177.061 176.094 -0.234 0.000 1.069 100 V CA 0.404 62.581 62.300 -0.204 0.000 1.173 100 V CB -0.474 31.219 31.823 -0.217 0.000 0.925 100 V HN 0.345 nan 8.190 nan 0.000 0.492 101 L N 3.131 124.168 121.223 -0.311 0.000 2.343 101 L HA 0.343 4.655 4.340 -0.046 0.000 0.275 101 L C 1.423 177.981 176.870 -0.521 0.000 1.056 101 L CA -0.244 54.411 54.840 -0.309 0.000 0.804 101 L CB 1.159 43.075 42.059 -0.238 0.000 1.203 101 L HN 0.699 nan 8.230 nan 0.000 0.440 102 E N 1.078 121.046 120.200 -0.386 0.000 2.085 102 E HA -0.250 4.072 4.350 -0.046 0.000 0.194 102 E C 1.635 178.099 176.600 -0.226 0.000 0.994 102 E CA 1.719 57.898 56.400 -0.368 0.000 0.801 102 E CB 0.216 29.896 29.700 -0.033 0.000 0.743 102 E HN 0.749 nan 8.360 nan 0.000 0.453 103 E N 0.246 120.371 120.200 -0.125 0.000 2.338 103 E HA -0.209 4.114 4.350 -0.046 0.000 0.197 103 E C 1.422 178.011 176.600 -0.018 0.000 1.007 103 E CA 0.984 57.370 56.400 -0.023 0.000 0.849 103 E CB -0.073 29.626 29.700 -0.002 0.000 0.774 103 E HN 0.332 nan 8.360 nan 0.000 0.506 104 E N -0.228 119.907 120.200 -0.108 0.000 2.299 104 E HA -0.050 4.272 4.350 -0.046 0.000 0.193 104 E C 1.356 178.031 176.600 0.125 0.000 0.998 104 E CA 0.232 56.611 56.400 -0.034 0.000 0.851 104 E CB -0.039 29.602 29.700 -0.100 0.000 0.795 104 E HN 0.255 nan 8.360 nan 0.000 0.492 105 F N 1.812 121.807 119.950 0.075 0.000 2.102 105 F HA -0.147 4.354 4.527 -0.044 0.000 0.298 105 F C 2.180 178.025 175.800 0.076 0.000 1.105 105 F CA 1.175 59.232 58.000 0.095 0.000 1.239 105 F CB -0.818 38.267 39.000 0.142 0.000 0.991 105 F HN -0.040 nan 8.300 nan 0.000 0.474 106 E N 0.152 120.519 120.200 0.277 0.000 2.085 106 E HA -0.156 4.167 4.350 -0.046 0.000 0.194 106 E C 2.446 179.113 176.600 0.111 0.000 0.994 106 E CA 1.169 57.670 56.400 0.169 0.000 0.801 106 E CB -0.784 28.998 29.700 0.138 0.000 0.743 106 E HN 0.097 nan 8.360 nan 0.000 0.453 107 V N 0.896 120.867 119.914 0.095 0.000 2.317 107 V HA -0.289 3.804 4.120 -0.046 0.000 0.251 107 V C 2.450 178.557 176.094 0.020 0.000 1.065 107 V CA 1.912 64.243 62.300 0.052 0.000 1.049 107 V CB -0.816 31.032 31.823 0.042 0.000 0.651 107 V HN 0.376 nan 8.190 nan 0.000 0.450 108 V N -1.602 118.330 119.914 0.029 0.000 2.490 108 V HA -0.234 3.859 4.120 -0.046 0.000 0.250 108 V C 2.151 178.188 176.094 -0.096 0.000 1.061 108 V CA 2.430 64.707 62.300 -0.039 0.000 1.064 108 V CB -0.619 31.193 31.823 -0.018 0.000 0.670 108 V HN 0.655 nan 8.190 nan 0.000 0.461 109 E N -0.145 120.039 120.200 -0.026 0.000 2.112 109 E HA -0.215 4.107 4.350 -0.046 0.000 0.190 109 E C 2.365 178.950 176.600 -0.025 0.000 0.979 109 E CA 1.038 57.424 56.400 -0.025 0.000 0.814 109 E CB -0.118 29.610 29.700 0.046 0.000 0.762 109 E HN 0.801 nan 8.360 nan 0.000 0.460 110 Q N 0.366 120.164 119.800 -0.002 0.000 2.079 110 Q HA -0.146 4.167 4.340 -0.046 0.000 0.200 110 Q C 2.236 178.224 176.000 -0.020 0.000 0.974 110 Q CA 0.979 56.786 55.803 0.007 0.000 0.840 110 Q CB 0.067 28.819 28.738 0.024 0.000 0.898 110 Q HN 0.341 nan 8.270 nan 0.000 0.430 111 L N 0.307 121.498 121.223 -0.054 0.000 2.056 111 L HA -0.164 4.149 4.340 -0.046 0.000 0.207 111 L C 2.392 179.191 176.870 -0.119 0.000 1.078 111 L CA 0.714 55.511 54.840 -0.071 0.000 0.749 111 L CB -0.325 41.687 42.059 -0.079 0.000 0.901 111 L HN 0.289 nan 8.230 nan 0.000 0.433 112 L N -0.279 120.797 121.223 -0.246 0.000 2.201 112 L HA -0.116 4.197 4.340 -0.046 0.000 0.212 112 L C 2.803 179.605 176.870 -0.112 0.000 1.105 112 L CA 0.745 55.309 54.840 -0.460 0.000 0.775 112 L CB -0.637 40.691 42.059 -1.218 0.000 0.913 112 L HN 0.217 nan 8.230 nan 0.000 0.440 113 A N -0.110 122.718 122.820 0.014 0.000 2.070 113 A HA -0.167 4.126 4.320 -0.046 0.000 0.220 113 A C 2.030 179.693 177.584 0.132 0.000 1.159 113 A CA 2.045 54.173 52.037 0.151 0.000 0.656 113 A CB -0.643 18.417 19.000 0.100 0.000 0.800 113 A HN 0.497 nan 8.150 nan 0.000 0.453 114 T N -3.184 111.417 114.554 0.078 0.000 3.182 114 T HA 0.302 4.625 4.350 -0.046 0.000 0.277 114 T C -0.225 174.513 174.700 0.063 0.000 1.013 114 T CA 0.151 62.290 62.100 0.065 0.000 0.900 114 T CB -0.292 68.600 68.868 0.039 0.000 1.098 114 T HN 0.323 nan 8.240 nan 0.000 0.543 115 D N 0.802 121.254 120.400 0.086 0.000 2.225 115 D HA 0.301 4.913 4.640 -0.046 0.000 0.248 115 D C 1.235 177.611 176.300 0.126 0.000 1.096 115 D CA -0.344 53.705 54.000 0.082 0.000 0.863 115 D CB 1.390 42.225 40.800 0.058 0.000 1.156 115 D HN -0.081 nan 8.370 nan 0.000 0.450 116 E N 2.447 122.695 120.200 0.080 0.000 2.077 116 E HA -0.188 4.135 4.350 -0.046 0.000 0.193 116 E C 1.871 178.514 176.600 0.071 0.000 0.989 116 E CA 1.257 57.696 56.400 0.066 0.000 0.800 116 E CB 0.110 29.832 29.700 0.037 0.000 0.746 116 E HN 0.591 nan 8.360 nan 0.000 0.452 117 R N -0.305 120.244 120.500 0.082 0.000 2.193 117 R HA -0.087 4.225 4.340 -0.046 0.000 0.213 117 R C 2.338 178.712 176.300 0.122 0.000 1.055 117 R CA 0.977 57.120 56.100 0.071 0.000 0.995 117 R CB -0.907 29.422 30.300 0.048 0.000 0.893 117 R HN 0.353 nan 8.270 nan 0.000 0.459 118 W N 2.074 123.355 121.300 -0.032 0.000 2.443 118 W HA -0.024 4.627 4.660 -0.015 0.000 0.296 118 W C 1.493 178.000 176.519 -0.021 0.000 1.202 118 W CA 0.601 57.929 57.345 -0.029 0.000 1.312 118 W CB -0.034 29.412 29.460 -0.023 0.000 1.120 118 W HN 0.030 nan 8.180 nan 0.000 0.536 119 L N 0.948 122.231 121.223 0.100 0.000 2.083 119 L HA -0.229 4.083 4.340 -0.046 0.000 0.209 119 L C 2.590 179.416 176.870 -0.075 0.000 1.083 119 L CA 1.579 56.413 54.840 -0.010 0.000 0.752 119 L CB -0.827 41.264 42.059 0.053 0.000 0.899 119 L HN -0.093 nan 8.230 nan 0.000 0.433 120 K N 0.295 120.668 120.400 -0.046 0.000 2.155 120 K HA -0.112 4.181 4.320 -0.046 0.000 0.203 120 K C 2.084 178.622 176.600 -0.103 0.000 1.052 120 K CA 1.031 57.284 56.287 -0.057 0.000 0.948 120 K CB 0.039 32.522 32.500 -0.028 0.000 0.728 120 K HN 0.257 nan 8.250 nan 0.000 0.448 121 A N 0.968 123.694 122.820 -0.156 0.000 1.968 121 A HA -0.030 4.262 4.320 -0.046 0.000 0.217 121 A C 1.973 179.390 177.584 -0.279 0.000 1.169 121 A CA 0.857 52.764 52.037 -0.215 0.000 0.638 121 A CB -0.328 18.505 19.000 -0.278 0.000 0.812 121 A HN 0.262 nan 8.150 nan 0.000 0.446 122 L N -1.027 119.987 121.223 -0.348 0.000 2.095 122 L HA -0.072 4.241 4.340 -0.046 0.000 0.204 122 L C 3.058 179.823 176.870 -0.176 0.000 1.080 122 L CA 0.922 55.576 54.840 -0.311 0.000 0.759 122 L CB -0.657 41.191 42.059 -0.351 0.000 0.914 122 L HN 0.403 nan 8.230 nan 0.000 0.439 123 A N 0.488 123.227 122.820 -0.135 0.000 1.940 123 A HA -0.159 4.134 4.320 -0.046 0.000 0.219 123 A C 2.425 179.961 177.584 -0.081 0.000 1.176 123 A CA 1.684 53.669 52.037 -0.087 0.000 0.631 123 A CB -0.593 18.369 19.000 -0.064 0.000 0.814 123 A HN 0.394 nan 8.150 nan 0.000 0.446 124 A N -0.868 121.897 122.820 -0.092 0.000 2.216 124 A HA -0.006 4.286 4.320 -0.046 0.000 0.214 124 A C 1.957 179.494 177.584 -0.079 0.000 1.160 124 A CA 1.149 53.139 52.037 -0.078 0.000 0.725 124 A CB -0.260 18.693 19.000 -0.079 0.000 0.784 124 A HN 0.550 nan 8.150 nan 0.000 0.472 125 R N -0.899 119.545 120.500 -0.094 0.000 2.476 125 R HA 0.131 4.444 4.340 -0.046 0.000 0.276 125 R C -0.316 175.938 176.300 -0.075 0.000 0.941 125 R CA -0.001 56.048 56.100 -0.085 0.000 1.088 125 R CB 0.310 30.547 30.300 -0.106 0.000 1.216 125 R HN 0.394 nan 8.270 nan 0.000 0.533 126 N N 1.083 119.740 118.700 -0.072 0.000 2.740 126 N HA -0.184 4.529 4.740 -0.046 0.000 0.248 126 N C -1.004 174.470 175.510 -0.060 0.000 1.062 126 N CA 0.966 53.981 53.050 -0.058 0.000 0.704 126 N CB -1.379 37.081 38.487 -0.045 0.000 0.968 126 N HN 0.277 nan 8.380 nan 0.000 0.547 127 L N 0.223 121.400 121.223 -0.077 0.000 2.307 127 L HA 0.346 4.659 4.340 -0.046 0.000 0.284 127 L C 0.574 177.408 176.870 -0.060 0.000 1.023 127 L CA -0.877 53.918 54.840 -0.074 0.000 0.810 127 L CB 1.469 43.466 42.059 -0.103 0.000 1.231 127 L HN -0.094 nan 8.230 nan 0.000 0.423 128 D N 1.960 122.340 120.400 -0.034 0.000 2.325 128 D HA 0.107 4.720 4.640 -0.046 0.000 0.251 128 D C 0.958 177.258 176.300 -0.000 0.000 1.196 128 D CA -0.302 53.689 54.000 -0.014 0.000 0.866 128 D CB 1.710 42.510 40.800 -0.000 0.000 1.101 128 D HN 0.254 nan 8.370 nan 0.000 0.476 129 V N 3.450 123.370 119.914 0.010 0.000 2.439 129 V HA -0.303 3.789 4.120 -0.046 0.000 0.253 129 V C 2.381 178.519 176.094 0.073 0.000 1.074 129 V CA 2.245 64.576 62.300 0.052 0.000 1.076 129 V CB -1.027 30.844 31.823 0.081 0.000 0.664 129 V HN 0.744 nan 8.190 nan 0.000 0.461 130 S N -0.281 115.451 115.700 0.054 0.000 2.474 130 S HA -0.130 4.312 4.470 -0.046 0.000 0.235 130 S C 1.643 176.274 174.600 0.053 0.000 0.997 130 S CA 1.034 59.267 58.200 0.055 0.000 0.949 130 S CB -0.327 62.900 63.200 0.045 0.000 0.766 130 S HN 0.700 nan 8.310 nan 0.000 0.517 131 K N 0.638 121.064 120.400 0.044 0.000 2.358 131 K HA 0.300 4.592 4.320 -0.046 0.000 0.197 131 K C -0.682 175.942 176.600 0.040 0.000 1.025 131 K CA -0.058 56.251 56.287 0.037 0.000 1.104 131 K CB 0.864 33.378 32.500 0.024 0.000 0.855 131 K HN 0.207 nan 8.250 nan 0.000 0.531 132 V N 3.399 123.352 119.914 0.064 0.000 2.348 132 V HA 0.191 4.283 4.120 -0.046 0.000 0.270 132 V C 0.096 176.270 176.094 0.133 0.000 1.037 132 V CA -0.686 61.670 62.300 0.094 0.000 0.872 132 V CB 0.824 32.713 31.823 0.110 0.000 1.002 132 V HN 0.149 nan 8.190 nan 0.000 0.464 133 R N 3.639 124.206 120.500 0.111 0.000 2.349 133 R HA 0.568 4.881 4.340 -0.046 0.000 0.299 133 R C -0.890 175.513 176.300 0.171 0.000 1.027 133 R CA -0.513 55.644 56.100 0.094 0.000 0.958 133 R CB 1.843 32.139 30.300 -0.006 0.000 1.047 133 R HN 0.451 nan 8.270 nan 0.000 0.468 134 V N 2.370 122.378 119.914 0.158 0.000 2.357 134 V HA 0.349 4.441 4.120 -0.046 0.000 0.284 134 V C 0.301 176.494 176.094 0.165 0.000 1.018 134 V CA -1.142 61.275 62.300 0.196 0.000 0.841 134 V CB 1.481 33.372 31.823 0.113 0.000 0.991 134 V HN 0.829 nan 8.190 nan 0.000 0.437 135 A N 8.087 131.067 122.820 0.267 0.000 2.395 135 A HA 0.545 4.838 4.320 -0.046 0.000 0.286 135 A C -2.044 175.670 177.584 0.216 0.000 1.193 135 A CA -1.205 50.980 52.037 0.247 0.000 0.852 135 A CB -0.055 19.219 19.000 0.457 0.000 1.118 135 A HN 0.617 nan 8.150 nan 0.000 0.524 136 P HA 0.286 nan 4.420 nan 0.000 0.277 136 P C -0.768 176.604 177.300 0.119 0.000 1.354 136 P CA 0.285 63.439 63.100 0.089 0.000 0.891 136 P CB 0.378 32.123 31.700 0.075 0.000 1.058 137 L N 2.312 123.654 121.223 0.199 0.000 2.334 137 L HA 0.418 4.731 4.340 -0.046 0.000 0.272 137 L C 1.140 178.141 176.870 0.218 0.000 1.020 137 L CA -0.992 53.984 54.840 0.226 0.000 0.812 137 L CB 1.514 43.758 42.059 0.308 0.000 1.264 137 L HN 0.292 nan 8.230 nan 0.000 0.439 138 S N 0.859 116.697 115.700 0.230 0.000 2.562 138 S HA 0.446 4.889 4.470 -0.046 0.000 0.281 138 S C -0.020 174.705 174.600 0.208 0.000 1.333 138 S CA -0.792 57.500 58.200 0.154 0.000 1.052 138 S CB 1.164 64.462 63.200 0.164 0.000 0.884 138 S HN 0.678 nan 8.310 nan 0.000 0.506 139 A N 3.475 126.343 122.820 0.079 0.000 2.252 139 A HA 0.672 4.965 4.320 -0.046 0.000 0.309 139 A C 0.939 178.615 177.584 0.153 0.000 1.285 139 A CA -0.323 51.739 52.037 0.041 0.000 0.900 139 A CB -0.199 18.731 19.000 -0.118 0.000 1.157 139 A HN 1.163 nan 8.150 nan 0.000 0.536 140 G N 0.459 109.483 108.800 0.374 0.000 2.481 140 G HA2 0.415 4.348 3.960 -0.046 0.000 0.251 140 G HA3 0.415 4.348 3.960 -0.046 0.000 0.251 140 G C -0.401 174.449 174.900 -0.082 0.000 1.492 140 G CA -0.103 45.112 45.100 0.192 0.000 1.060 140 G HN 0.874 nan 8.290 nan 0.000 0.553 141 V N 0.869 120.461 119.914 -0.536 0.000 2.349 141 V HA 0.534 4.626 4.120 -0.046 0.000 0.284 141 V C -0.878 174.744 176.094 -0.787 0.000 1.014 141 V CA -0.276 61.762 62.300 -0.436 0.000 0.826 141 V CB 0.291 31.942 31.823 -0.288 0.000 1.009 141 V HN 0.461 nan 8.190 nan 0.000 0.431 142 F N 1.722 121.645 119.950 -0.045 0.000 3.064 142 F HA 0.449 4.950 4.527 -0.044 0.000 0.353 142 F C 1.413 177.070 175.800 -0.240 0.000 1.393 142 F CA -0.869 57.053 58.000 -0.131 0.000 1.080 142 F CB 0.435 39.346 39.000 -0.150 0.000 1.619 142 F HN 0.413 nan 8.300 nan 0.000 0.465 143 E N 0.817 120.886 120.200 -0.219 0.000 2.335 143 E HA -0.062 4.260 4.350 -0.046 0.000 0.191 143 E C -1.319 175.067 176.600 -0.356 0.000 1.150 143 E CA 0.385 56.599 56.400 -0.309 0.000 1.001 143 E CB -1.090 28.451 29.700 -0.265 0.000 1.127 143 E HN 0.473 nan 8.360 nan 0.000 0.462 144 Y N 0.312 120.661 120.300 0.082 0.000 2.587 144 Y HA 0.501 5.024 4.550 -0.045 0.000 0.328 144 Y C 1.319 177.234 175.900 0.026 0.000 0.980 144 Y CA -0.823 57.309 58.100 0.055 0.000 1.272 144 Y CB 1.254 39.741 38.460 0.045 0.000 1.094 144 Y HN 0.077 nan 8.280 nan 0.000 0.503 145 A N 1.963 124.870 122.820 0.144 0.000 2.024 145 A HA -0.227 4.066 4.320 -0.046 0.000 0.220 145 A C 1.706 179.332 177.584 0.070 0.000 1.164 145 A CA 1.830 53.915 52.037 0.080 0.000 0.643 145 A CB -0.337 18.697 19.000 0.056 0.000 0.806 145 A HN 0.814 nan 8.150 nan 0.000 0.451 146 E N 0.200 120.454 120.200 0.091 0.000 2.502 146 E HA -0.012 4.311 4.350 -0.046 0.000 0.194 146 E C 1.267 177.889 176.600 0.037 0.000 1.062 146 E CA 0.919 57.351 56.400 0.054 0.000 0.867 146 E CB -0.149 29.580 29.700 0.048 0.000 0.888 146 E HN 0.742 nan 8.360 nan 0.000 0.510 147 E N 0.964 121.196 120.200 0.053 0.000 2.340 147 E HA 0.068 4.391 4.350 -0.046 0.000 0.194 147 E C 0.122 176.722 176.600 -0.000 0.000 0.996 147 E CA -0.192 56.219 56.400 0.019 0.000 0.869 147 E CB 0.177 29.895 29.700 0.030 0.000 0.835 147 E HN 0.155 nan 8.360 nan 0.000 0.493 148 R N 0.468 120.971 120.500 0.006 0.000 2.458 148 R HA 0.130 4.443 4.340 -0.046 0.000 0.303 148 R C 0.902 177.186 176.300 -0.026 0.000 1.013 148 R CA 0.799 56.892 56.100 -0.013 0.000 1.026 148 R CB 0.171 30.466 30.300 -0.008 0.000 0.948 148 R HN 0.283 nan 8.270 nan 0.000 0.417 149 G N 2.460 111.233 108.800 -0.044 0.000 2.199 149 G HA2 -0.319 3.614 3.960 -0.046 0.000 0.254 149 G HA3 -0.319 3.614 3.960 -0.046 0.000 0.254 149 G C 0.097 174.968 174.900 -0.049 0.000 0.982 149 G CA -0.128 44.940 45.100 -0.054 0.000 0.632 149 G HN 0.537 nan 8.290 nan 0.000 0.529 150 R N -0.339 120.137 120.500 -0.041 0.000 2.664 150 R HA 0.627 4.940 4.340 -0.046 0.000 0.286 150 R C 0.244 176.517 176.300 -0.045 0.000 0.967 150 R CA -0.950 55.129 56.100 -0.035 0.000 0.933 150 R CB 1.297 31.582 30.300 -0.026 0.000 1.146 150 R HN 0.173 nan 8.270 nan 0.000 0.468 151 R N 2.741 123.217 120.500 -0.040 0.000 2.308 151 R HA 0.215 4.528 4.340 -0.046 0.000 0.325 151 R C -0.920 175.348 176.300 -0.054 0.000 1.161 151 R CA -0.223 55.843 56.100 -0.056 0.000 1.022 151 R CB 0.055 30.322 30.300 -0.055 0.000 1.091 151 R HN 0.379 nan 8.270 nan 0.000 0.497 152 I N 4.429 124.960 120.570 -0.065 0.000 2.562 152 I HA 0.390 4.532 4.170 -0.046 0.000 0.301 152 I C -0.481 175.588 176.117 -0.080 0.000 1.003 152 I CA -0.695 60.560 61.300 -0.075 0.000 1.127 152 I CB 1.902 39.841 38.000 -0.102 0.000 1.304 152 I HN 0.528 nan 8.210 nan 0.000 0.446 153 L N 5.450 126.630 121.223 -0.072 0.000 2.388 153 L HA 0.592 4.905 4.340 -0.046 0.000 0.264 153 L C -0.498 176.318 176.870 -0.091 0.000 0.998 153 L CA -0.915 53.895 54.840 -0.050 0.000 0.817 153 L CB 2.123 44.194 42.059 0.020 0.000 1.338 153 L HN 0.486 nan 8.230 nan 0.000 0.414 154 R N 0.741 121.165 120.500 -0.127 0.000 2.474 154 R HA 0.655 4.968 4.340 -0.046 0.000 0.295 154 R C -0.216 176.091 176.300 0.012 0.000 0.980 154 R CA -0.676 55.310 56.100 -0.189 0.000 0.934 154 R CB 1.940 31.782 30.300 -0.763 0.000 1.101 154 R HN 0.742 nan 8.270 nan 0.000 0.469 155 G N 2.539 111.367 108.800 0.047 0.000 2.530 155 G HA2 0.581 4.514 3.960 -0.046 0.000 0.316 155 G HA3 0.581 4.514 3.960 -0.046 0.000 0.316 155 G C -0.933 174.120 174.900 0.255 0.000 1.298 155 G CA -0.589 44.581 45.100 0.117 0.000 0.948 155 G HN 0.297 nan 8.290 nan 0.000 0.486 156 L N 1.659 123.100 121.223 0.363 0.000 2.362 156 L HA 0.675 4.988 4.340 -0.046 0.000 0.275 156 L C 0.512 177.556 176.870 0.291 0.000 0.998 156 L CA -0.991 54.068 54.840 0.365 0.000 0.820 156 L CB 2.144 44.506 42.059 0.506 0.000 1.270 156 L HN 0.639 nan 8.230 nan 0.000 0.415 157 A N 3.194 126.096 122.820 0.138 0.000 2.304 157 A HA 0.818 5.111 4.320 -0.046 0.000 0.301 157 A C -1.149 176.229 177.584 -0.344 0.000 1.132 157 A CA -0.092 51.996 52.037 0.086 0.000 0.819 157 A CB 0.390 19.480 19.000 0.150 0.000 1.094 157 A HN 0.507 nan 8.150 nan 0.000 0.492 158 F N 0.894 120.832 119.950 -0.020 0.000 2.574 158 F HA 0.411 4.913 4.527 -0.042 0.000 0.313 158 F C -0.075 175.688 175.800 -0.062 0.000 1.130 158 F CA -0.615 57.328 58.000 -0.096 0.000 0.936 158 F CB 2.212 41.040 39.000 -0.287 0.000 1.219 158 F HN 0.331 nan 8.300 nan 0.000 0.445 159 V N 2.986 122.975 119.914 0.125 0.000 2.583 159 V HA 0.268 4.361 4.120 -0.046 0.000 0.287 159 V C -0.262 175.899 176.094 0.111 0.000 1.051 159 V CA -0.428 61.916 62.300 0.072 0.000 1.010 159 V CB 1.410 33.227 31.823 -0.011 0.000 0.988 159 V HN 0.740 nan 8.190 nan 0.000 0.478 160 Q N 2.235 122.059 119.800 0.040 0.000 2.401 160 Q HA 0.231 4.543 4.340 -0.046 0.000 0.260 160 Q C -0.092 175.906 176.000 -0.004 0.000 1.034 160 Q CA -0.614 55.193 55.803 0.007 0.000 0.737 160 Q CB 1.211 29.923 28.738 -0.044 0.000 1.227 160 Q HN 0.800 nan 8.270 nan 0.000 0.488 161 D N 2.499 122.906 120.400 0.012 0.000 2.182 161 D HA -0.080 4.532 4.640 -0.046 0.000 0.201 161 D C 0.049 176.517 176.300 0.281 0.000 0.986 161 D CA 1.515 55.603 54.000 0.146 0.000 0.847 161 D CB 0.078 41.098 40.800 0.367 0.000 0.942 161 D HN 0.437 nan 8.370 nan 0.000 0.467 162 F N -5.404 114.566 119.950 0.033 0.000 2.686 162 F HA 0.424 4.919 4.527 -0.054 0.000 0.311 162 F C -2.423 173.381 175.800 0.006 0.000 1.128 162 F CA -2.347 55.657 58.000 0.007 0.000 0.946 162 F CB 0.625 39.614 39.000 -0.018 0.000 1.336 162 F HN -0.393 nan 8.300 nan 0.000 0.457 163 P HA -0.204 nan 4.420 nan 0.000 0.219 163 P C 0.406 177.705 177.300 -0.002 0.000 1.158 163 P CA 2.420 65.563 63.100 0.072 0.000 0.895 163 P CB 0.129 31.894 31.700 0.108 0.000 0.792 164 E N -1.392 118.834 120.200 0.044 0.000 2.437 164 E HA 0.038 4.360 4.350 -0.046 0.000 0.189 164 E C 0.012 176.413 176.600 -0.331 0.000 1.054 164 E CA -0.220 56.156 56.400 -0.041 0.000 0.874 164 E CB -0.254 29.521 29.700 0.124 0.000 1.011 164 E HN 0.295 nan 8.360 nan 0.000 0.474 165 D N 0.715 120.689 120.400 -0.710 0.000 2.302 165 D HA 0.006 4.618 4.640 -0.046 0.000 0.248 165 D C -0.515 175.579 176.300 -0.343 0.000 1.094 165 D CA -0.048 53.447 54.000 -0.842 0.000 0.897 165 D CB 1.213 41.349 40.800 -1.106 0.000 1.200 165 D HN -0.179 nan 8.370 nan 0.000 0.429 166 S N 2.531 118.095 115.700 -0.226 0.000 2.494 166 S HA 0.349 4.792 4.470 -0.046 0.000 0.312 166 S C 1.147 175.703 174.600 -0.073 0.000 1.121 166 S CA -0.204 57.945 58.200 -0.085 0.000 1.068 166 S CB 0.021 63.201 63.200 -0.032 0.000 1.141 166 S HN 0.499 nan 8.310 nan 0.000 0.527 167 A N 4.973 127.663 122.820 -0.217 0.000 2.019 167 A HA -0.048 4.245 4.320 -0.046 0.000 0.219 167 A C 1.437 178.924 177.584 -0.162 0.000 1.164 167 A CA 0.936 52.854 52.037 -0.198 0.000 0.644 167 A CB -0.721 18.063 19.000 -0.361 0.000 0.805 167 A HN 0.992 nan 8.150 nan 0.000 0.449 168 W N -0.275 121.007 121.300 -0.030 0.000 2.468 168 W HA 0.025 4.662 4.660 -0.038 0.000 0.262 168 W C 2.348 178.994 176.519 0.213 0.000 1.241 168 W CA 0.690 58.024 57.345 -0.018 0.000 1.232 168 W CB -0.078 29.357 29.460 -0.042 0.000 1.124 168 W HN 0.380 nan 8.180 nan 0.000 0.597 169 A N -0.685 122.301 122.820 0.275 0.000 2.123 169 A HA -0.025 4.267 4.320 -0.046 0.000 0.214 169 A C 0.164 177.600 177.584 -0.246 0.000 1.152 169 A CA 0.676 52.761 52.037 0.080 0.000 0.728 169 A CB -0.753 18.220 19.000 -0.044 0.000 0.814 169 A HN 0.459 nan 8.150 nan 0.000 0.464 170 H N 0.108 119.288 119.070 0.184 0.000 2.317 170 H HA 0.267 4.807 4.556 -0.027 0.000 0.231 170 H C -2.790 172.556 175.328 0.030 0.000 1.442 170 H CA -2.058 54.034 56.048 0.072 0.000 1.336 170 H CB 0.525 30.310 29.762 0.038 0.000 1.533 170 H HN 0.289 nan 8.280 nan 0.000 0.522 171 P HA 0.010 nan 4.420 nan 0.000 0.275 171 P C -0.002 177.110 177.300 -0.314 0.000 1.227 171 P CA -0.305 62.574 63.100 -0.370 0.000 0.781 171 P CB 2.229 33.743 31.700 -0.310 0.000 0.906 172 V N 3.863 123.521 119.914 -0.426 0.000 2.270 172 V HA 0.130 4.223 4.120 -0.046 0.000 0.263 172 V C 0.699 176.648 176.094 -0.241 0.000 1.066 172 V CA -0.213 61.938 62.300 -0.249 0.000 0.857 172 V CB 0.141 31.837 31.823 -0.212 0.000 1.099 172 V HN 0.539 nan 8.190 nan 0.000 0.476 173 D N 3.013 123.274 120.400 -0.233 0.000 2.344 173 D HA 0.389 5.002 4.640 -0.046 0.000 0.244 173 D C 1.275 177.495 176.300 -0.133 0.000 1.134 173 D CA 1.456 55.257 54.000 -0.331 0.000 0.930 173 D CB 1.782 42.133 40.800 -0.748 0.000 1.175 173 D HN 0.733 nan 8.370 nan 0.000 0.437 174 G N 0.774 109.507 108.800 -0.112 0.000 2.179 174 G HA2 -0.237 3.696 3.960 -0.046 0.000 0.260 174 G HA3 -0.237 3.696 3.960 -0.046 0.000 0.260 174 G C -0.045 174.902 174.900 0.078 0.000 0.977 174 G CA 0.555 45.737 45.100 0.137 0.000 0.641 174 G HN 0.478 nan 8.290 nan 0.000 0.533 175 L N 0.801 122.044 121.223 0.034 0.000 2.410 175 L HA 0.830 5.143 4.340 -0.046 0.000 0.270 175 L C -0.410 176.547 176.870 0.144 0.000 0.983 175 L CA -1.168 53.701 54.840 0.048 0.000 0.822 175 L CB 2.398 44.422 42.059 -0.058 0.000 1.285 175 L HN 0.481 nan 8.230 nan 0.000 0.409 176 V N 2.461 122.472 119.914 0.162 0.000 2.932 176 V HA 0.977 5.069 4.120 -0.046 0.000 0.307 176 V C -0.503 175.613 176.094 0.037 0.000 1.147 176 V CA -0.488 61.917 62.300 0.175 0.000 0.951 176 V CB 1.244 33.170 31.823 0.171 0.000 1.031 176 V HN 1.013 nan 8.190 nan 0.000 0.426 177 A N 2.754 125.586 122.820 0.020 0.000 2.371 177 A HA 0.913 5.205 4.320 -0.046 0.000 0.311 177 A C -1.633 175.922 177.584 -0.049 0.000 1.068 177 A CA -0.507 51.440 52.037 -0.149 0.000 0.744 177 A CB 1.302 20.143 19.000 -0.265 0.000 1.239 177 A HN 0.699 nan 8.150 nan 0.000 0.435 178 Y N 0.976 121.142 120.300 -0.224 0.000 2.342 178 Y HA 0.578 5.102 4.550 -0.044 0.000 0.334 178 Y C 0.027 175.808 175.900 -0.197 0.000 1.067 178 Y CA -1.564 56.385 58.100 -0.251 0.000 1.128 178 Y CB 1.564 39.839 38.460 -0.308 0.000 1.200 178 Y HN 0.352 nan 8.280 nan 0.000 0.464 179 V N 3.272 123.180 119.914 -0.011 0.000 2.577 179 V HA 0.196 4.288 4.120 -0.046 0.000 0.303 179 V C -0.596 175.473 176.094 -0.041 0.000 1.042 179 V CA -1.176 61.094 62.300 -0.050 0.000 0.872 179 V CB 2.181 33.956 31.823 -0.081 0.000 0.998 179 V HN 0.663 nan 8.190 nan 0.000 0.423 180 D N 3.542 123.921 120.400 -0.035 0.000 2.365 180 D HA 0.189 4.802 4.640 -0.046 0.000 0.237 180 D C 0.830 177.117 176.300 -0.021 0.000 1.190 180 D CA -0.099 53.884 54.000 -0.028 0.000 0.867 180 D CB 1.958 42.745 40.800 -0.022 0.000 1.050 180 D HN 0.304 nan 8.370 nan 0.000 0.491 181 V N 3.677 123.580 119.914 -0.019 0.000 3.217 181 V HA -0.146 3.946 4.120 -0.046 0.000 0.264 181 V C 2.138 178.240 176.094 0.014 0.000 1.135 181 V CA 1.229 63.525 62.300 -0.007 0.000 1.142 181 V CB -0.370 31.445 31.823 -0.013 0.000 0.754 181 V HN 0.644 nan 8.190 nan 0.000 0.484 182 V N -1.453 118.475 119.914 0.022 0.000 2.581 182 V HA 0.024 4.116 4.120 -0.046 0.000 0.240 182 V C 2.332 178.438 176.094 0.021 0.000 1.054 182 V CA 1.404 63.732 62.300 0.046 0.000 1.076 182 V CB -0.616 31.251 31.823 0.073 0.000 0.748 182 V HN 0.532 nan 8.190 nan 0.000 0.474 183 S N -0.362 115.342 115.700 0.007 0.000 2.522 183 S HA 0.028 4.471 4.470 -0.046 0.000 0.227 183 S C 0.985 175.584 174.600 -0.002 0.000 0.986 183 S CA 0.596 58.796 58.200 -0.000 0.000 0.929 183 S CB -0.736 62.460 63.200 -0.006 0.000 0.769 183 S HN 0.706 nan 8.310 nan 0.000 0.529 184 K N 0.977 121.376 120.400 -0.002 0.000 3.372 184 K HA -0.140 4.153 4.320 -0.046 0.000 0.272 184 K C -0.879 175.712 176.600 -0.016 0.000 1.037 184 K CA 0.768 57.051 56.287 -0.007 0.000 0.777 184 K CB -1.624 30.876 32.500 0.001 0.000 1.347 184 K HN 0.689 nan 8.250 nan 0.000 0.460 185 E N -0.348 119.839 120.200 -0.022 0.000 2.343 185 E HA 0.405 4.728 4.350 -0.046 0.000 0.270 185 E C -0.737 175.838 176.600 -0.042 0.000 0.895 185 E CA -1.100 55.283 56.400 -0.027 0.000 0.767 185 E CB 2.456 32.144 29.700 -0.020 0.000 1.248 185 E HN -0.023 nan 8.360 nan 0.000 0.440 186 V N 2.530 122.414 119.914 -0.050 0.000 2.304 186 V HA 0.035 4.127 4.120 -0.046 0.000 0.269 186 V C 1.354 177.415 176.094 -0.056 0.000 1.036 186 V CA 0.004 62.262 62.300 -0.069 0.000 0.840 186 V CB 0.454 32.222 31.823 -0.091 0.000 1.036 186 V HN 0.968 nan 8.190 nan 0.000 0.466 187 T N 2.558 117.084 114.554 -0.047 0.000 2.867 187 T HA 0.054 4.377 4.350 -0.046 0.000 0.268 187 T C 0.853 175.506 174.700 -0.079 0.000 1.057 187 T CA 0.805 62.880 62.100 -0.042 0.000 1.136 187 T CB 0.262 69.120 68.868 -0.018 0.000 0.874 187 T HN 0.520 nan 8.240 nan 0.000 0.466 188 R N -0.860 119.557 120.500 -0.138 0.000 2.680 188 R HA 0.656 4.969 4.340 -0.046 0.000 0.269 188 R C -2.184 173.941 176.300 -0.292 0.000 1.026 188 R CA -0.766 55.182 56.100 -0.253 0.000 0.889 188 R CB 2.835 32.861 30.300 -0.457 0.000 1.241 188 R HN 0.066 nan 8.270 nan 0.000 0.463 189 V N 3.778 123.562 119.914 -0.217 0.000 2.524 189 V HA 0.461 4.553 4.120 -0.046 0.000 0.297 189 V C -0.563 175.454 176.094 -0.129 0.000 1.035 189 V CA -0.578 61.660 62.300 -0.105 0.000 0.867 189 V CB 1.807 33.668 31.823 0.062 0.000 1.004 189 V HN 0.562 nan 8.190 nan 0.000 0.426 190 I N 3.867 124.340 120.570 -0.161 0.000 2.354 190 I HA 0.509 4.652 4.170 -0.046 0.000 0.292 190 I C -0.783 175.319 176.117 -0.026 0.000 0.989 190 I CA -0.229 61.004 61.300 -0.112 0.000 1.188 190 I CB 1.876 39.781 38.000 -0.158 0.000 1.342 190 I HN 0.508 nan 8.210 nan 0.000 0.457 191 D N 4.570 124.962 120.400 -0.012 0.000 2.469 191 D HA 0.152 4.764 4.640 -0.046 0.000 0.251 191 D C 0.792 177.104 176.300 0.020 0.000 1.173 191 D CA -0.258 53.744 54.000 0.003 0.000 0.882 191 D CB 1.670 42.458 40.800 -0.020 0.000 1.129 191 D HN 0.670 nan 8.370 nan 0.000 0.549 192 T N 0.272 114.860 114.554 0.057 0.000 3.081 192 T HA 0.450 4.773 4.350 -0.046 0.000 0.250 192 T C 0.898 175.632 174.700 0.056 0.000 1.100 192 T CA 0.393 62.534 62.100 0.069 0.000 1.038 192 T CB 0.348 69.285 68.868 0.115 0.000 0.962 192 T HN 0.535 nan 8.240 nan 0.000 0.516 193 G N 0.672 109.503 108.800 0.052 0.000 2.321 193 G HA2 0.348 4.280 3.960 -0.046 0.000 0.339 193 G HA3 0.348 4.280 3.960 -0.046 0.000 0.339 193 G C -0.914 173.990 174.900 0.006 0.000 1.518 193 G CA -0.553 44.531 45.100 -0.027 0.000 0.994 193 G HN 0.982 nan 8.290 nan 0.000 0.668 194 V N -1.338 118.524 119.914 -0.086 0.000 2.607 194 V HA 0.897 4.989 4.120 -0.046 0.000 0.289 194 V C -0.359 175.658 176.094 -0.128 0.000 1.053 194 V CA -0.779 61.499 62.300 -0.037 0.000 0.996 194 V CB 1.016 32.801 31.823 -0.063 0.000 0.995 194 V HN 0.777 nan 8.190 nan 0.000 0.476 195 F N 2.847 122.757 119.950 -0.066 0.000 2.551 195 F HA 0.713 5.205 4.527 -0.058 0.000 0.316 195 F C -2.081 173.684 175.800 -0.059 0.000 1.089 195 F CA -2.134 55.830 58.000 -0.060 0.000 0.915 195 F CB 1.997 40.960 39.000 -0.062 0.000 1.186 195 F HN 0.426 nan 8.300 nan 0.000 0.456 196 P HA 0.111 nan 4.420 nan 0.000 0.267 196 P C -0.977 176.362 177.300 0.064 0.000 1.200 196 P CA -0.162 62.976 63.100 0.062 0.000 0.772 196 P CB 0.543 32.273 31.700 0.049 0.000 0.855 197 V N 5.909 125.838 119.914 0.025 0.000 2.348 197 V HA 0.189 4.282 4.120 -0.046 0.000 0.270 197 V C -1.923 174.193 176.094 0.036 0.000 1.037 197 V CA -1.615 60.694 62.300 0.015 0.000 0.872 197 V CB 0.648 32.462 31.823 -0.015 0.000 1.002 197 V HN 0.588 nan 8.190 nan 0.000 0.464 198 P HA -0.013 nan 4.420 nan 0.000 0.257 198 P C 0.561 177.950 177.300 0.149 0.000 1.162 198 P CA 0.430 63.570 63.100 0.067 0.000 0.762 198 P CB 0.743 32.455 31.700 0.019 0.000 0.753 199 A N 3.568 126.432 122.820 0.073 0.000 1.935 199 A HA -0.057 4.236 4.320 -0.046 0.000 0.214 199 A C 1.030 178.620 177.584 0.011 0.000 1.178 199 A CA 0.458 52.506 52.037 0.019 0.000 0.640 199 A CB -0.571 18.419 19.000 -0.017 0.000 0.825 199 A HN 0.572 nan 8.150 nan 0.000 0.447 200 E N 0.278 120.508 120.200 0.051 0.000 2.452 200 E HA 0.045 4.367 4.350 -0.046 0.000 0.261 200 E C -0.665 175.995 176.600 0.100 0.000 0.987 200 E CA 0.065 56.510 56.400 0.075 0.000 0.926 200 E CB 0.142 29.907 29.700 0.109 0.000 0.934 200 E HN 0.657 nan 8.360 nan 0.000 0.452 201 H N 0.824 120.052 119.070 0.264 0.000 2.505 201 H HA 0.360 4.891 4.556 -0.042 0.000 0.351 201 H C 0.539 175.977 175.328 0.184 0.000 1.151 201 H CA 0.059 56.238 56.048 0.218 0.000 1.339 201 H CB 1.542 31.443 29.762 0.231 0.000 1.483 201 H HN 0.601 nan 8.280 nan 0.000 0.558 202 G N 1.924 110.876 108.800 0.254 0.000 4.757 202 G HA2 0.020 3.952 3.960 -0.046 0.000 0.303 202 G HA3 0.020 3.952 3.960 -0.046 0.000 0.303 202 G C -0.574 174.262 174.900 -0.107 0.000 1.318 202 G CA -0.523 44.625 45.100 0.081 0.000 1.020 202 G HN 0.489 nan 8.290 nan 0.000 0.589 203 N N 1.439 120.087 118.700 -0.086 0.000 2.469 203 N HA 0.164 4.877 4.740 -0.046 0.000 0.239 203 N C 0.675 176.027 175.510 -0.262 0.000 1.053 203 N CA -0.569 52.305 53.050 -0.294 0.000 0.937 203 N CB 0.883 39.271 38.487 -0.165 0.000 1.163 203 N HN 0.521 nan 8.380 nan 0.000 0.509 204 Y N -0.437 119.810 120.300 -0.087 0.000 2.578 204 Y HA 0.066 4.589 4.550 -0.045 0.000 0.297 204 Y C 1.553 177.425 175.900 -0.046 0.000 1.176 204 Y CA 0.133 58.181 58.100 -0.086 0.000 1.315 204 Y CB -0.538 37.843 38.460 -0.132 0.000 1.031 204 Y HN 0.313 nan 8.280 nan 0.000 0.524 205 T N -4.052 110.421 114.554 -0.135 0.000 3.001 205 T HA 0.060 4.382 4.350 -0.046 0.000 0.251 205 T C 0.098 174.781 174.700 -0.028 0.000 1.040 205 T CA -0.048 62.029 62.100 -0.038 0.000 0.985 205 T CB -0.166 68.666 68.868 -0.060 0.000 1.011 205 T HN 0.197 nan 8.240 nan 0.000 0.509 206 D N 3.901 124.276 120.400 -0.042 0.000 2.339 206 D HA 0.173 4.785 4.640 -0.046 0.000 0.256 206 D C -1.157 175.147 176.300 0.006 0.000 1.214 206 D CA -2.470 51.524 54.000 -0.010 0.000 0.877 206 D CB 1.456 42.257 40.800 0.001 0.000 1.111 206 D HN 0.025 nan 8.370 nan 0.000 0.478 207 P HA -0.169 nan 4.420 nan 0.000 0.226 207 P C 0.828 178.138 177.300 0.017 0.000 1.146 207 P CA 0.829 63.936 63.100 0.012 0.000 0.773 207 P CB 0.358 32.062 31.700 0.007 0.000 0.772 208 E N -0.703 119.509 120.200 0.020 0.000 2.230 208 E HA -0.079 4.244 4.350 -0.046 0.000 0.192 208 E C 1.803 178.427 176.600 0.041 0.000 0.987 208 E CA 0.142 56.559 56.400 0.029 0.000 0.841 208 E CB -0.198 29.521 29.700 0.033 0.000 0.783 208 E HN 0.039 nan 8.360 nan 0.000 0.481 209 L N 0.431 121.680 121.223 0.044 0.000 2.202 209 L HA 0.006 4.318 4.340 -0.046 0.000 0.205 209 L C 2.393 179.288 176.870 0.043 0.000 1.083 209 L CA 2.107 56.979 54.840 0.053 0.000 0.790 209 L CB -0.509 41.584 42.059 0.056 0.000 0.942 209 L HN 0.228 nan 8.230 nan 0.000 0.452 210 T N -2.848 111.726 114.554 0.035 0.000 2.985 210 T HA 0.365 4.688 4.350 -0.046 0.000 0.266 210 T C 1.224 175.939 174.700 0.025 0.000 1.076 210 T CA 0.510 62.628 62.100 0.031 0.000 1.135 210 T CB -0.798 68.088 68.868 0.030 0.000 0.890 210 T HN 0.726 nan 8.240 nan 0.000 0.480 211 G N 2.451 111.265 108.800 0.024 0.000 2.750 211 G HA2 -0.098 3.834 3.960 -0.046 0.000 0.228 211 G HA3 -0.098 3.834 3.960 -0.046 0.000 0.228 211 G C -2.703 172.206 174.900 0.016 0.000 1.367 211 G CA -0.507 44.605 45.100 0.020 0.000 0.871 211 G HN 0.580 nan 8.290 nan 0.000 0.560 212 P HA 0.338 nan 4.420 nan 0.000 0.271 212 P C 0.476 177.782 177.300 0.010 0.000 1.226 212 P CA -0.108 62.999 63.100 0.011 0.000 0.765 212 P CB 0.454 32.160 31.700 0.009 0.000 0.835 213 L N 4.231 125.460 121.223 0.010 0.000 2.499 213 L HA 0.099 4.412 4.340 -0.046 0.000 0.273 213 L C 1.738 178.612 176.870 0.006 0.000 1.195 213 L CA -0.286 54.559 54.840 0.009 0.000 0.882 213 L CB -0.020 42.044 42.059 0.009 0.000 1.133 213 L HN 0.466 nan 8.230 nan 0.000 0.483 214 R N 1.040 121.543 120.500 0.005 0.000 2.698 214 R HA 0.038 4.351 4.340 -0.046 0.000 0.266 214 R C 0.528 176.830 176.300 0.003 0.000 1.026 214 R CA 0.365 56.468 56.100 0.003 0.000 1.102 214 R CB -0.003 30.298 30.300 0.002 0.000 0.978 214 R HN 0.741 nan 8.270 nan 0.000 0.436 215 T N -3.145 111.411 114.554 0.002 0.000 3.044 215 T HA -0.019 4.303 4.350 -0.046 0.000 0.260 215 T C 1.504 176.205 174.700 0.001 0.000 1.019 215 T CA 0.199 62.300 62.100 0.002 0.000 0.921 215 T CB 0.199 69.069 68.868 0.002 0.000 1.053 215 T HN 0.758 nan 8.240 nan 0.000 0.533 216 T N 0.076 114.630 114.554 -0.000 0.000 2.962 216 T HA 0.021 4.343 4.350 -0.046 0.000 0.270 216 T C 0.860 175.559 174.700 -0.002 0.000 1.088 216 T CA 0.337 62.436 62.100 -0.001 0.000 1.127 216 T CB -0.552 68.315 68.868 -0.002 0.000 0.883 216 T HN 0.457 nan 8.240 nan 0.000 0.493 217 Q N 1.872 121.671 119.800 -0.002 0.000 2.281 217 Q HA 0.234 4.547 4.340 -0.046 0.000 0.267 217 Q C -0.305 175.694 176.000 -0.001 0.000 1.053 217 Q CA -0.082 55.719 55.803 -0.003 0.000 0.905 217 Q CB 0.654 29.390 28.738 -0.003 0.000 1.195 217 Q HN 0.271 nan 8.270 nan 0.000 0.398 218 K N 3.840 124.239 120.400 -0.002 0.000 2.118 218 K HA 0.398 4.691 4.320 -0.046 0.000 0.267 218 K C -2.012 174.588 176.600 0.000 0.000 0.991 218 K CA -1.734 54.552 56.287 -0.000 0.000 0.916 218 K CB 0.592 33.091 32.500 -0.001 0.000 1.041 218 K HN 0.515 nan 8.250 nan 0.000 0.455 219 P HA 0.203 nan 4.420 nan 0.000 0.269 219 P C -0.457 176.845 177.300 0.004 0.000 1.209 219 P CA -0.019 63.083 63.100 0.003 0.000 0.776 219 P CB 0.642 32.345 31.700 0.005 0.000 0.876 220 I N 1.147 121.720 120.570 0.005 0.000 2.411 220 I HA 0.130 4.272 4.170 -0.046 0.000 0.284 220 I C 0.324 176.447 176.117 0.009 0.000 1.012 220 I CA -0.505 60.799 61.300 0.007 0.000 1.119 220 I CB 1.694 39.697 38.000 0.006 0.000 1.261 220 I HN 0.284 nan 8.210 nan 0.000 0.448 221 S N 7.694 123.400 115.700 0.011 0.000 2.422 221 S HA 0.597 5.039 4.470 -0.046 0.000 0.308 221 S C -0.492 174.120 174.600 0.019 0.000 1.097 221 S CA -0.473 57.735 58.200 0.014 0.000 1.099 221 S CB 0.276 63.484 63.200 0.013 0.000 0.976 221 S HN 0.430 nan 8.310 nan 0.000 0.471 222 I N 5.571 126.154 120.570 0.021 0.000 2.359 222 I HA 0.327 4.470 4.170 -0.046 0.000 0.284 222 I C 0.349 176.485 176.117 0.032 0.000 1.018 222 I CA -0.355 60.964 61.300 0.032 0.000 1.173 222 I CB 1.485 39.507 38.000 0.037 0.000 1.326 222 I HN 0.634 nan 8.210 nan 0.000 0.462 223 T N 1.870 116.445 114.554 0.036 0.000 2.907 223 T HA 0.526 4.849 4.350 -0.046 0.000 0.290 223 T C -0.587 174.138 174.700 0.042 0.000 1.066 223 T CA -0.878 61.242 62.100 0.034 0.000 1.012 223 T CB 2.249 71.132 68.868 0.026 0.000 1.184 223 T HN 0.474 nan 8.240 nan 0.000 0.522 224 Q N 1.337 121.159 119.800 0.036 0.000 2.771 224 Q HA 0.259 4.572 4.340 -0.046 0.000 0.247 224 Q C -1.935 174.077 176.000 0.020 0.000 0.986 224 Q CA -1.999 53.825 55.803 0.035 0.000 0.713 224 Q CB 1.969 30.730 28.738 0.038 0.000 1.241 224 Q HN 0.574 nan 8.270 nan 0.000 0.488 225 P HA -0.198 nan 4.420 nan 0.000 0.220 225 P C 0.125 177.430 177.300 0.009 0.000 1.144 225 P CA 1.339 64.447 63.100 0.014 0.000 0.800 225 P CB 0.496 32.205 31.700 0.015 0.000 0.772 226 E N -0.690 119.514 120.200 0.007 0.000 2.558 226 E HA 0.370 4.692 4.350 -0.046 0.000 0.205 226 E C 0.756 177.348 176.600 -0.013 0.000 1.006 226 E CA -0.068 56.332 56.400 -0.000 0.000 0.961 226 E CB 0.419 30.121 29.700 0.004 0.000 1.044 226 E HN 0.204 nan 8.360 nan 0.000 0.465 227 G N 2.843 111.632 108.800 -0.018 0.000 2.796 227 G HA2 -0.200 3.733 3.960 -0.046 0.000 0.571 227 G HA3 -0.200 3.733 3.960 -0.046 0.000 0.571 227 G C -2.697 172.155 174.900 -0.079 0.000 1.370 227 G CA -0.878 44.192 45.100 -0.051 0.000 0.856 227 G HN 0.024 nan 8.290 nan 0.000 0.538 228 P HA 0.368 nan 4.420 nan 0.000 0.274 228 P C 0.608 177.786 177.300 -0.204 0.000 1.246 228 P CA 0.070 62.996 63.100 -0.290 0.000 0.795 228 P CB 1.308 32.474 31.700 -0.889 0.000 1.006 229 S N 0.035 115.750 115.700 0.025 0.000 2.562 229 S HA 0.097 4.540 4.470 -0.046 0.000 0.221 229 S C 0.701 175.472 174.600 0.286 0.000 0.975 229 S CA 0.217 58.516 58.200 0.163 0.000 0.918 229 S CB -0.777 62.584 63.200 0.267 0.000 0.772 229 S HN 0.572 nan 8.310 nan 0.000 0.531 230 F N 1.961 122.132 119.950 0.368 0.000 2.432 230 F HA 0.751 5.251 4.527 -0.046 0.000 0.329 230 F C 0.064 175.961 175.800 0.163 0.000 1.076 230 F CA -1.180 57.014 58.000 0.324 0.000 1.018 230 F CB 0.463 39.625 39.000 0.269 0.000 1.201 230 F HN -0.154 nan 8.300 nan 0.000 0.489 231 T N 0.080 114.840 114.554 0.345 0.000 2.885 231 T HA 0.760 5.083 4.350 -0.046 0.000 0.285 231 T C -1.076 173.792 174.700 0.281 0.000 1.019 231 T CA -0.824 61.408 62.100 0.220 0.000 1.010 231 T CB 1.535 70.493 68.868 0.149 0.000 1.022 231 T HN 0.679 nan 8.240 nan 0.000 0.466 232 V N 2.958 123.007 119.914 0.226 0.000 2.444 232 V HA 0.731 4.823 4.120 -0.046 0.000 0.294 232 V C 0.310 176.501 176.094 0.160 0.000 1.022 232 V CA -0.722 61.698 62.300 0.200 0.000 0.850 232 V CB 1.277 33.217 31.823 0.196 0.000 0.992 232 V HN 1.285 nan 8.190 nan 0.000 0.426 233 T N 0.020 114.682 114.554 0.180 0.000 2.900 233 T HA 0.683 5.006 4.350 -0.046 0.000 0.295 233 T C 0.750 175.533 174.700 0.138 0.000 1.044 233 T CA 0.005 62.190 62.100 0.142 0.000 0.995 233 T CB 1.756 70.701 68.868 0.128 0.000 1.072 233 T HN 1.853 nan 8.240 nan 0.000 0.473 234 G N 0.232 109.087 108.800 0.092 0.000 2.179 234 G HA2 0.121 4.053 3.960 -0.046 0.000 0.257 234 G HA3 0.121 4.053 3.960 -0.046 0.000 0.257 234 G C 1.322 176.273 174.900 0.086 0.000 1.010 234 G CA 0.907 46.055 45.100 0.080 0.000 0.736 234 G HN 2.434 nan 8.290 nan 0.000 0.513 235 G N -0.011 108.841 108.800 0.087 0.000 2.458 235 G HA2 -0.282 3.650 3.960 -0.046 0.000 0.237 235 G HA3 -0.282 3.650 3.960 -0.046 0.000 0.237 235 G C 0.941 175.892 174.900 0.085 0.000 1.113 235 G CA 1.356 46.503 45.100 0.079 0.000 0.655 235 G HN 2.184 nan 8.290 nan 0.000 0.513 236 N N -0.387 118.374 118.700 0.101 0.000 2.116 236 N HA 0.106 4.819 4.740 -0.046 0.000 0.230 236 N C -0.108 175.459 175.510 0.095 0.000 1.326 236 N CA 0.200 53.302 53.050 0.086 0.000 0.867 236 N CB -0.299 38.235 38.487 0.079 0.000 1.174 236 N HN 0.598 nan 8.380 nan 0.000 0.506 237 H N 1.522 120.624 119.070 0.053 0.000 2.580 237 H HA 0.314 4.843 4.556 -0.046 0.000 0.322 237 H C -0.744 174.622 175.328 0.064 0.000 1.082 237 H CA -0.118 55.960 56.048 0.050 0.000 1.383 237 H CB 1.014 30.811 29.762 0.057 0.000 1.450 237 H HN -0.036 nan 8.280 nan 0.000 0.505 238 I N 4.609 124.904 120.570 -0.459 0.000 2.474 238 I HA 0.209 4.352 4.170 -0.046 0.000 0.294 238 I C 0.008 176.020 176.117 -0.174 0.000 1.005 238 I CA -0.639 60.540 61.300 -0.202 0.000 1.113 238 I CB 1.777 39.668 38.000 -0.181 0.000 1.289 238 I HN 0.561 nan 8.210 nan 0.000 0.436 239 E N 5.296 125.556 120.200 0.101 0.000 2.216 239 E HA 0.317 4.640 4.350 -0.046 0.000 0.260 239 E C -1.744 175.065 176.600 0.349 0.000 0.880 239 E CA -0.416 56.097 56.400 0.187 0.000 0.765 239 E CB 2.826 32.645 29.700 0.198 0.000 1.174 239 E HN 0.611 nan 8.360 nan 0.000 0.417 240 W N 3.685 125.062 121.300 0.128 0.000 3.326 240 W HA 0.143 4.776 4.660 -0.045 0.000 0.333 240 W C -0.362 176.267 176.519 0.183 0.000 1.108 240 W CA -0.417 57.032 57.345 0.174 0.000 1.245 240 W CB 0.897 30.460 29.460 0.172 0.000 1.331 240 W HN 0.332 nan 8.180 nan 0.000 0.464 241 E N 5.604 125.469 120.200 -0.559 0.000 2.199 241 E HA -0.321 4.002 4.350 -0.046 0.000 0.208 241 E C 0.506 176.837 176.600 -0.448 0.000 1.310 241 E CA 1.885 57.897 56.400 -0.647 0.000 0.709 241 E CB -1.021 27.931 29.700 -1.247 0.000 1.127 241 E HN 0.888 nan 8.360 nan 0.000 0.354 242 K N -3.856 116.311 120.400 -0.389 0.000 3.573 242 K HA -0.235 4.058 4.320 -0.046 0.000 0.280 242 K C 0.034 176.213 176.600 -0.702 0.000 1.257 242 K CA 1.561 57.448 56.287 -0.667 0.000 0.990 242 K CB -1.373 30.436 32.500 -1.152 0.000 1.297 242 K HN 0.259 nan 8.250 nan 0.000 0.488 243 W N 1.466 122.606 121.300 -0.266 0.000 2.313 243 W HA 0.472 5.105 4.660 -0.045 0.000 0.328 243 W C 0.522 177.037 176.519 -0.007 0.000 1.197 243 W CA -0.249 57.076 57.345 -0.034 0.000 1.235 243 W CB 1.693 31.276 29.460 0.206 0.000 1.158 243 W HN -0.028 nan 8.180 nan 0.000 0.578 244 S N 4.370 120.244 115.700 0.289 0.000 2.575 244 S HA 0.816 5.258 4.470 -0.046 0.000 0.278 244 S C -1.132 173.489 174.600 0.035 0.000 1.139 244 S CA -0.702 57.562 58.200 0.106 0.000 0.954 244 S CB 0.123 63.405 63.200 0.137 0.000 1.054 244 S HN 0.541 nan 8.310 nan 0.000 0.483 245 L N 1.121 122.235 121.223 -0.181 0.000 2.940 245 L HA 0.770 5.082 4.340 -0.046 0.000 0.270 245 L C -2.047 174.670 176.870 -0.256 0.000 1.030 245 L CA -1.069 53.666 54.840 -0.176 0.000 0.928 245 L CB 1.711 43.673 42.059 -0.161 0.000 1.506 245 L HN 0.376 nan 8.230 nan 0.000 0.405 246 D N 1.434 121.750 120.400 -0.139 0.000 2.391 246 D HA 0.474 5.086 4.640 -0.046 0.000 0.245 246 D C -0.764 175.512 176.300 -0.041 0.000 1.069 246 D CA -0.269 53.704 54.000 -0.044 0.000 0.831 246 D CB 3.160 43.980 40.800 0.034 0.000 1.204 246 D HN 0.369 nan 8.370 nan 0.000 0.503 247 V N 2.145 122.037 119.914 -0.036 0.000 2.353 247 V HA 0.485 4.577 4.120 -0.046 0.000 0.264 247 V C 1.002 177.128 176.094 0.055 0.000 1.049 247 V CA -0.398 61.873 62.300 -0.049 0.000 0.896 247 V CB 1.027 32.807 31.823 -0.072 0.000 1.025 247 V HN 0.596 nan 8.190 nan 0.000 0.475 248 G N 3.104 111.957 108.800 0.089 0.000 2.521 248 G HA2 0.712 4.644 3.960 -0.046 0.000 0.323 248 G HA3 0.712 4.644 3.960 -0.046 0.000 0.323 248 G C -1.511 173.467 174.900 0.130 0.000 1.211 248 G CA -0.481 44.724 45.100 0.175 0.000 0.979 248 G HN 0.489 nan 8.290 nan 0.000 0.490 249 F N -0.076 119.858 119.950 -0.026 0.000 2.605 249 F HA 0.476 4.976 4.527 -0.046 0.000 0.320 249 F C -1.518 174.249 175.800 -0.055 0.000 1.159 249 F CA -0.859 57.083 58.000 -0.096 0.000 0.999 249 F CB 2.523 41.455 39.000 -0.113 0.000 1.258 249 F HN 0.528 nan 8.300 nan 0.000 0.464 250 D N 3.458 123.512 120.400 -0.577 0.000 2.646 250 D HA 0.381 4.994 4.640 -0.046 0.000 0.245 250 D C 0.701 176.743 176.300 -0.429 0.000 1.099 250 D CA -0.583 53.251 54.000 -0.277 0.000 0.849 250 D CB 2.161 42.893 40.800 -0.113 0.000 1.448 250 D HN 0.366 nan 8.370 nan 0.000 0.489 251 V N 2.482 122.334 119.914 -0.102 0.000 2.568 251 V HA -0.130 3.963 4.120 -0.046 0.000 0.253 251 V C 1.982 178.086 176.094 0.018 0.000 1.072 251 V CA 1.754 64.046 62.300 -0.014 0.000 1.084 251 V CB -0.627 31.217 31.823 0.035 0.000 0.676 251 V HN 0.626 nan 8.190 nan 0.000 0.469 252 R N 0.212 120.766 120.500 0.090 0.000 2.075 252 R HA 0.028 4.341 4.340 -0.046 0.000 0.220 252 R C 2.352 178.631 176.300 -0.035 0.000 1.118 252 R CA 1.338 57.469 56.100 0.052 0.000 0.986 252 R CB -0.095 30.198 30.300 -0.011 0.000 0.884 252 R HN 0.617 nan 8.270 nan 0.000 0.439 253 E N -0.691 119.457 120.200 -0.087 0.000 2.250 253 E HA 0.139 4.461 4.350 -0.046 0.000 0.192 253 E C 0.687 177.108 176.600 -0.297 0.000 0.986 253 E CA 0.453 56.782 56.400 -0.117 0.000 0.849 253 E CB 0.582 30.250 29.700 -0.054 0.000 0.797 253 E HN 0.546 nan 8.360 nan 0.000 0.482 254 G N 0.574 109.004 108.800 -0.617 0.000 2.503 254 G HA2 -0.278 3.655 3.960 -0.046 0.000 0.235 254 G HA3 -0.278 3.655 3.960 -0.046 0.000 0.235 254 G C -0.263 173.948 174.900 -1.148 0.000 1.179 254 G CA -0.363 44.048 45.100 -1.148 0.000 0.944 254 G HN 0.092 nan 8.290 nan 0.000 0.580 255 V N 0.932 120.301 119.914 -0.909 0.000 2.521 255 V HA 0.438 4.531 4.120 -0.046 0.000 0.286 255 V C 0.725 176.695 176.094 -0.207 0.000 1.034 255 V CA 0.067 62.166 62.300 -0.336 0.000 1.045 255 V CB 0.963 32.764 31.823 -0.036 0.000 0.974 255 V HN 0.860 nan 8.190 nan 0.000 0.480 256 V N 6.839 126.605 119.914 -0.245 0.000 2.540 256 V HA 0.465 4.558 4.120 -0.046 0.000 0.302 256 V C -0.185 175.616 176.094 -0.487 0.000 1.035 256 V CA -0.632 61.457 62.300 -0.353 0.000 0.873 256 V CB 1.896 33.527 31.823 -0.319 0.000 0.992 256 V HN 0.613 nan 8.190 nan 0.000 0.428 257 L N 4.886 125.702 121.223 -0.679 0.000 2.282 257 L HA 0.590 4.902 4.340 -0.046 0.000 0.288 257 L C -0.542 175.948 176.870 -0.633 0.000 1.033 257 L CA -0.464 53.993 54.840 -0.640 0.000 0.807 257 L CB 0.962 42.538 42.059 -0.805 0.000 1.209 257 L HN 0.684 nan 8.230 nan 0.000 0.423 258 H N 2.559 121.440 119.070 -0.315 0.000 2.573 258 H HA 0.321 4.849 4.556 -0.046 0.000 0.351 258 H C -0.141 174.966 175.328 -0.367 0.000 1.163 258 H CA -0.743 55.086 56.048 -0.365 0.000 1.205 258 H CB 1.147 30.623 29.762 -0.476 0.000 1.605 258 H HN 0.508 nan 8.280 nan 0.000 0.525 259 N N 1.468 120.024 118.700 -0.239 0.000 2.686 259 N HA -0.213 4.500 4.740 -0.046 0.000 0.261 259 N C -0.840 174.607 175.510 -0.106 0.000 1.001 259 N CA 0.620 53.554 53.050 -0.194 0.000 0.764 259 N CB -1.084 37.255 38.487 -0.246 0.000 0.898 259 N HN 0.537 nan 8.380 nan 0.000 0.544 260 I N 0.481 120.988 120.570 -0.105 0.000 2.505 260 I HA 0.252 4.395 4.170 -0.046 0.000 0.287 260 I C 0.976 177.146 176.117 0.087 0.000 1.104 260 I CA 0.106 61.403 61.300 -0.005 0.000 1.387 260 I CB 0.540 38.513 38.000 -0.046 0.000 1.404 260 I HN 0.353 nan 8.210 nan 0.000 0.528 261 A N 7.002 129.939 122.820 0.196 0.000 2.515 261 A HA 0.771 5.063 4.320 -0.046 0.000 0.296 261 A C -1.543 176.185 177.584 0.239 0.000 1.094 261 A CA -0.445 51.703 52.037 0.184 0.000 0.718 261 A CB 1.570 20.635 19.000 0.108 0.000 1.307 261 A HN 0.528 nan 8.150 nan 0.000 0.408 262 F N 0.468 120.416 119.950 -0.003 0.000 2.507 262 F HA 0.645 5.144 4.527 -0.046 0.000 0.325 262 F C 0.379 176.180 175.800 0.003 0.000 1.116 262 F CA -0.560 57.362 58.000 -0.130 0.000 0.930 262 F CB 1.836 40.692 39.000 -0.241 0.000 1.146 262 F HN 0.601 nan 8.300 nan 0.000 0.447 263 R N 3.956 124.280 120.500 -0.293 0.000 2.325 263 R HA 0.124 4.437 4.340 -0.046 0.000 0.323 263 R C -0.969 175.393 176.300 0.102 0.000 1.177 263 R CA -0.134 55.914 56.100 -0.086 0.000 1.018 263 R CB -0.312 29.883 30.300 -0.174 0.000 1.070 263 R HN 0.501 nan 8.270 nan 0.000 0.495 264 D N 3.908 124.492 120.400 0.307 0.000 2.494 264 D HA 0.145 4.758 4.640 -0.046 0.000 0.217 264 D C -0.035 176.360 176.300 0.158 0.000 1.153 264 D CA 0.211 54.423 54.000 0.354 0.000 0.954 264 D CB 0.313 41.312 40.800 0.332 0.000 1.034 264 D HN 0.742 nan 8.370 nan 0.000 0.518 265 G N 4.262 113.128 108.800 0.109 0.000 2.261 265 G HA2 -0.269 3.663 3.960 -0.046 0.000 0.220 265 G HA3 -0.269 3.663 3.960 -0.046 0.000 0.220 265 G C 0.592 175.515 174.900 0.038 0.000 0.572 265 G CA 0.368 45.501 45.100 0.055 0.000 1.011 265 G HN 0.622 nan 8.290 nan 0.000 0.328 266 D N -1.027 119.387 120.400 0.023 0.000 2.429 266 D HA -0.219 4.394 4.640 -0.046 0.000 0.162 266 D C 1.043 177.356 176.300 0.021 0.000 1.615 266 D CA 2.119 56.129 54.000 0.017 0.000 1.630 266 D CB -0.592 40.215 40.800 0.013 0.000 1.347 266 D HN 0.944 nan 8.370 nan 0.000 0.454 267 R N 0.956 121.475 120.500 0.031 0.000 2.207 267 R HA 0.403 4.715 4.340 -0.046 0.000 0.334 267 R C -0.610 175.722 176.300 0.052 0.000 1.013 267 R CA -0.636 55.482 56.100 0.030 0.000 0.858 267 R CB 0.473 30.782 30.300 0.016 0.000 1.094 267 R HN 0.008 nan 8.270 nan 0.000 0.457 268 L N 5.713 126.963 121.223 0.045 0.000 2.325 268 L HA 0.254 4.567 4.340 -0.046 0.000 0.284 268 L C -0.391 176.522 176.870 0.072 0.000 1.089 268 L CA 0.369 55.246 54.840 0.061 0.000 0.836 268 L CB 0.434 42.522 42.059 0.049 0.000 1.184 268 L HN 0.526 nan 8.230 nan 0.000 0.444 269 R N 7.173 127.747 120.500 0.124 0.000 2.338 269 R HA 0.456 4.769 4.340 -0.046 0.000 0.317 269 R C -2.428 173.957 176.300 0.143 0.000 0.968 269 R CA -1.817 54.360 56.100 0.129 0.000 0.849 269 R CB 1.125 31.521 30.300 0.160 0.000 1.128 269 R HN 0.477 nan 8.270 nan 0.000 0.448 270 P HA 0.157 nan 4.420 nan 0.000 0.275 270 P C -0.015 177.262 177.300 -0.037 0.000 1.227 270 P CA -0.040 63.048 63.100 -0.020 0.000 0.781 270 P CB 1.263 32.887 31.700 -0.126 0.000 0.906 271 I N 1.493 121.991 120.570 -0.119 0.000 3.873 271 I HA 0.244 4.387 4.170 -0.046 0.000 0.284 271 I C 0.720 176.676 176.117 -0.269 0.000 1.186 271 I CA 0.296 61.430 61.300 -0.278 0.000 1.362 271 I CB 0.414 38.163 38.000 -0.419 0.000 1.432 271 I HN 0.155 nan 8.210 nan 0.000 0.454 272 I N 1.239 121.686 120.570 -0.205 0.000 2.478 272 I HA 0.160 4.302 4.170 -0.046 0.000 0.287 272 I C 0.586 176.588 176.117 -0.191 0.000 1.042 272 I CA -0.263 60.917 61.300 -0.200 0.000 1.067 272 I CB 2.108 39.997 38.000 -0.184 0.000 1.233 272 I HN 0.094 nan 8.210 nan 0.000 0.431 273 N N 5.392 123.984 118.700 -0.181 0.000 2.135 273 N HA 0.023 4.735 4.740 -0.046 0.000 0.186 273 N C 0.557 175.989 175.510 -0.131 0.000 1.027 273 N CA 1.007 53.985 53.050 -0.119 0.000 0.849 273 N CB 0.559 39.058 38.487 0.021 0.000 1.002 273 N HN 0.544 nan 8.380 nan 0.000 0.425 274 R N -0.070 120.332 120.500 -0.165 0.000 2.548 274 R HA 0.505 4.817 4.340 -0.046 0.000 0.280 274 R C -2.062 174.065 176.300 -0.288 0.000 1.061 274 R CA -0.507 55.443 56.100 -0.250 0.000 0.915 274 R CB 1.943 32.151 30.300 -0.153 0.000 1.210 274 R HN 0.081 nan 8.270 nan 0.000 0.442 275 A N 2.281 124.860 122.820 -0.403 0.000 2.359 275 A HA 0.713 5.005 4.320 -0.046 0.000 0.303 275 A C -1.109 176.263 177.584 -0.354 0.000 1.066 275 A CA -0.455 51.362 52.037 -0.366 0.000 0.730 275 A CB 1.588 20.275 19.000 -0.522 0.000 1.211 275 A HN 0.814 nan 8.150 nan 0.000 0.439 276 S N 1.366 117.023 115.700 -0.071 0.000 2.587 276 S HA 0.667 5.109 4.470 -0.046 0.000 0.269 276 S C -1.165 173.527 174.600 0.154 0.000 1.154 276 S CA -0.740 57.497 58.200 0.061 0.000 0.824 276 S CB 0.858 64.016 63.200 -0.070 0.000 1.118 276 S HN 0.594 nan 8.310 nan 0.000 0.462 277 I N 2.169 122.832 120.570 0.155 0.000 2.291 277 I HA 0.400 4.542 4.170 -0.046 0.000 0.290 277 I C 1.279 177.470 176.117 0.123 0.000 1.050 277 I CA -0.453 60.931 61.300 0.140 0.000 1.245 277 I CB 0.353 38.483 38.000 0.217 0.000 1.405 277 I HN 0.994 nan 8.210 nan 0.000 0.478 278 A N 5.161 128.053 122.820 0.119 0.000 2.208 278 A HA 0.157 4.450 4.320 -0.046 0.000 0.209 278 A C 0.675 178.328 177.584 0.115 0.000 1.161 278 A CA 0.737 52.874 52.037 0.167 0.000 0.782 278 A CB 0.062 19.198 19.000 0.226 0.000 0.816 278 A HN 0.692 nan 8.150 nan 0.000 0.477 279 E N -1.561 118.658 120.200 0.031 0.000 2.389 279 E HA 0.508 4.830 4.350 -0.046 0.000 0.281 279 E C -1.167 175.429 176.600 -0.008 0.000 1.111 279 E CA -0.321 56.059 56.400 -0.034 0.000 0.869 279 E CB 0.728 30.262 29.700 -0.277 0.000 1.259 279 E HN 0.502 nan 8.360 nan 0.000 0.434 280 M N 1.522 121.118 119.600 -0.006 0.000 2.265 280 M HA 0.602 5.055 4.480 -0.046 0.000 0.251 280 M C -1.754 174.411 176.300 -0.225 0.000 1.005 280 M CA -0.842 54.340 55.300 -0.197 0.000 0.998 280 M CB 1.426 33.812 32.600 -0.356 0.000 2.070 280 M HN 0.107 nan 8.290 nan 0.000 0.476 281 V N 3.018 122.753 119.914 -0.298 0.000 2.612 281 V HA 0.682 4.774 4.120 -0.046 0.000 0.301 281 V C -0.172 175.653 176.094 -0.448 0.000 1.046 281 V CA -0.720 61.272 62.300 -0.513 0.000 0.946 281 V CB 1.898 33.324 31.823 -0.662 0.000 1.003 281 V HN 0.732 nan 8.190 nan 0.000 0.459 282 V N 5.576 125.264 119.914 -0.376 0.000 2.315 282 V HA 0.297 4.390 4.120 -0.046 0.000 0.265 282 V C -2.345 173.575 176.094 -0.290 0.000 1.019 282 V CA -1.317 60.749 62.300 -0.389 0.000 0.824 282 V CB 1.270 32.859 31.823 -0.391 0.000 1.072 282 V HN 0.755 nan 8.190 nan 0.000 0.448 283 P HA 0.300 nan 4.420 nan 0.000 0.279 283 P C -1.262 175.863 177.300 -0.293 0.000 1.239 283 P CA -0.219 62.774 63.100 -0.179 0.000 0.789 283 P CB 1.120 32.718 31.700 -0.169 0.000 0.933 284 Y N 0.282 120.528 120.300 -0.089 0.000 2.361 284 Y HA 0.455 4.978 4.550 -0.044 0.000 0.332 284 Y C 1.765 177.652 175.900 -0.022 0.000 1.101 284 Y CA 0.216 58.277 58.100 -0.065 0.000 1.137 284 Y CB 1.411 39.780 38.460 -0.152 0.000 1.207 284 Y HN 0.474 nan 8.280 nan 0.000 0.463 285 G N 1.039 109.904 108.800 0.109 0.000 3.434 285 G HA2 -0.031 3.902 3.960 -0.046 0.000 0.258 285 G HA3 -0.031 3.902 3.960 -0.046 0.000 0.258 285 G C -0.490 174.467 174.900 0.094 0.000 1.128 285 G CA -0.137 45.029 45.100 0.111 0.000 0.792 285 G HN 0.504 nan 8.290 nan 0.000 0.539 286 D N 1.209 121.659 120.400 0.082 0.000 2.313 286 D HA 0.223 4.836 4.640 -0.046 0.000 0.239 286 D C -1.122 175.181 176.300 0.006 0.000 1.142 286 D CA -2.257 51.753 54.000 0.018 0.000 0.847 286 D CB 2.301 43.108 40.800 0.012 0.000 1.082 286 D HN 0.050 nan 8.370 nan 0.000 0.480 287 P HA -0.023 nan 4.420 nan 0.000 0.241 287 P C 0.396 177.703 177.300 0.011 0.000 1.191 287 P CA -0.043 63.066 63.100 0.014 0.000 0.771 287 P CB 0.211 31.923 31.700 0.021 0.000 0.929 288 S N 2.613 118.312 115.700 -0.002 0.000 2.537 288 S HA 0.093 4.536 4.470 -0.046 0.000 0.286 288 S C -0.967 173.652 174.600 0.032 0.000 1.299 288 S CA -1.032 57.175 58.200 0.011 0.000 1.067 288 S CB 0.143 63.333 63.200 -0.017 0.000 0.864 288 S HN 0.011 nan 8.310 nan 0.000 0.494 289 P HA -0.106 nan 4.420 nan 0.000 0.226 289 P C 1.178 178.616 177.300 0.230 0.000 1.146 289 P CA 0.675 63.856 63.100 0.135 0.000 0.773 289 P CB -0.074 31.702 31.700 0.127 0.000 0.772 290 I N -0.553 120.116 120.570 0.165 0.000 2.617 290 I HA -0.021 4.122 4.170 -0.046 0.000 0.256 290 I C 2.039 178.305 176.117 0.248 0.000 1.167 290 I CA 1.056 62.497 61.300 0.234 0.000 1.469 290 I CB -0.911 37.136 38.000 0.078 0.000 1.098 290 I HN 0.025 nan 8.210 nan 0.000 0.436 291 R N -0.429 120.019 120.500 -0.086 0.000 2.539 291 R HA 0.102 4.415 4.340 -0.046 0.000 0.342 291 R C 1.835 177.761 176.300 -0.623 0.000 0.941 291 R CA 0.433 56.193 56.100 -0.568 0.000 1.146 291 R CB 0.298 30.381 30.300 -0.362 0.000 1.541 291 R HN 0.237 nan 8.270 nan 0.000 0.525 292 S N 0.800 116.337 115.700 -0.272 0.000 2.537 292 S HA -0.115 4.328 4.470 -0.046 0.000 0.240 292 S C 1.292 175.777 174.600 -0.191 0.000 0.981 292 S CA 0.451 58.561 58.200 -0.151 0.000 0.948 292 S CB -0.399 62.779 63.200 -0.036 0.000 0.759 292 S HN 0.614 nan 8.310 nan 0.000 0.531 293 W N 0.366 121.508 121.300 -0.263 0.000 3.177 293 W HA 0.406 5.036 4.660 -0.050 0.000 0.309 293 W C 0.361 176.904 176.519 0.041 0.000 1.224 293 W CA -0.715 56.350 57.345 -0.467 0.000 1.718 293 W CB -0.523 28.517 29.460 -0.700 0.000 1.078 293 W HN 0.251 nan 8.180 nan 0.000 0.618 294 Q N 2.832 122.225 119.800 -0.677 0.000 2.296 294 Q HA 0.113 4.425 4.340 -0.046 0.000 0.263 294 Q C -0.787 175.231 176.000 0.031 0.000 1.026 294 Q CA 0.633 56.075 55.803 -0.601 0.000 0.912 294 Q CB 0.234 28.329 28.738 -1.071 0.000 1.198 294 Q HN 0.029 nan 8.270 nan 0.000 0.407 295 N N 4.455 123.268 118.700 0.187 0.000 2.655 295 N HA 0.105 4.817 4.740 -0.046 0.000 0.277 295 N C -1.848 173.842 175.510 0.299 0.000 1.177 295 N CA -0.429 52.769 53.050 0.246 0.000 0.882 295 N CB 0.865 39.490 38.487 0.230 0.000 1.481 295 N HN 0.396 nan 8.380 nan 0.000 0.547 296 Y N 0.824 121.145 120.300 0.034 0.000 2.359 296 Y HA 0.321 4.842 4.550 -0.048 0.000 0.334 296 Y C 0.413 176.320 175.900 0.012 0.000 1.058 296 Y CA -0.364 57.803 58.100 0.111 0.000 1.244 296 Y CB 0.390 38.844 38.460 -0.010 0.000 1.187 296 Y HN 0.365 nan 8.280 nan 0.000 0.510 297 F N 2.759 122.905 119.950 0.326 0.000 2.366 297 F HA 0.227 4.726 4.527 -0.046 0.000 0.328 297 F C 0.853 176.830 175.800 0.294 0.000 1.180 297 F CA -0.809 57.325 58.000 0.224 0.000 1.232 297 F CB 0.093 39.193 39.000 0.167 0.000 1.513 297 F HN 0.534 nan 8.300 nan 0.000 0.540 298 D N -0.170 120.439 120.400 0.349 0.000 2.170 298 D HA -0.225 4.387 4.640 -0.046 0.000 0.193 298 D C 2.053 178.572 176.300 0.365 0.000 1.004 298 D CA 2.177 56.384 54.000 0.345 0.000 0.860 298 D CB 0.076 40.988 40.800 0.186 0.000 0.931 298 D HN 0.341 nan 8.370 nan 0.000 0.448 299 T N -0.945 113.762 114.554 0.255 0.000 2.770 299 T HA 0.001 4.324 4.350 -0.046 0.000 0.258 299 T C 2.056 176.835 174.700 0.132 0.000 1.039 299 T CA 1.194 63.401 62.100 0.179 0.000 1.143 299 T CB -0.715 68.215 68.868 0.103 0.000 0.866 299 T HN 0.288 nan 8.240 nan 0.000 0.428 300 G N 1.209 110.099 108.800 0.151 0.000 2.421 300 G HA2 -0.163 3.770 3.960 -0.046 0.000 0.216 300 G HA3 -0.163 3.770 3.960 -0.046 0.000 0.216 300 G C 1.466 176.404 174.900 0.063 0.000 1.171 300 G CA 0.746 45.867 45.100 0.034 0.000 0.775 300 G HN 0.503 nan 8.290 nan 0.000 0.543 301 E N -0.922 119.398 120.200 0.199 0.000 2.099 301 E HA 0.072 4.395 4.350 -0.046 0.000 0.191 301 E C 2.165 178.794 176.600 0.047 0.000 0.962 301 E CA 0.470 56.920 56.400 0.083 0.000 0.826 301 E CB -0.046 29.694 29.700 0.068 0.000 0.788 301 E HN 0.534 nan 8.360 nan 0.000 0.461 302 Y N 0.154 120.623 120.300 0.282 0.000 2.397 302 Y HA 0.217 4.739 4.550 -0.047 0.000 0.292 302 Y C 0.226 176.383 175.900 0.428 0.000 1.115 302 Y CA 0.304 58.651 58.100 0.411 0.000 1.208 302 Y CB 0.294 39.033 38.460 0.466 0.000 1.046 302 Y HN -0.129 nan 8.280 nan 0.000 0.552 303 L N -0.152 121.340 121.223 0.449 0.000 2.262 303 L HA -0.223 4.090 4.340 -0.046 0.000 0.667 303 L C 0.634 177.730 176.870 0.377 0.000 1.023 303 L CA -0.607 54.415 54.840 0.303 0.000 1.375 303 L CB -1.605 40.583 42.059 0.214 0.000 2.104 303 L HN -0.060 nan 8.230 nan 0.000 0.981 304 V N 1.938 122.057 119.914 0.342 0.000 2.282 304 V HA -0.284 3.809 4.120 -0.046 0.000 0.249 304 V C 2.388 178.719 176.094 0.395 0.000 1.057 304 V CA 2.920 65.458 62.300 0.398 0.000 1.032 304 V CB -0.435 31.557 31.823 0.282 0.000 0.645 304 V HN 0.971 nan 8.190 nan 0.000 0.447 305 G N -1.620 107.294 108.800 0.189 0.000 2.442 305 G HA2 -0.364 3.568 3.960 -0.046 0.000 0.219 305 G HA3 -0.364 3.568 3.960 -0.046 0.000 0.219 305 G C 1.499 176.592 174.900 0.321 0.000 1.141 305 G CA 0.988 46.206 45.100 0.195 0.000 0.763 305 G HN 0.558 nan 8.290 nan 0.000 0.554 306 Q N -0.871 118.994 119.800 0.108 0.000 2.234 306 Q HA -0.103 4.209 4.340 -0.046 0.000 0.206 306 Q C 0.996 176.846 176.000 -0.251 0.000 0.980 306 Q CA 1.048 56.762 55.803 -0.148 0.000 0.869 306 Q CB -0.115 28.370 28.738 -0.421 0.000 0.912 306 Q HN 0.661 nan 8.270 nan 0.000 0.436 307 Y N -0.791 119.707 120.300 0.330 0.000 2.658 307 Y HA 0.445 4.969 4.550 -0.044 0.000 0.276 307 Y C 0.141 176.250 175.900 0.348 0.000 1.167 307 Y CA -0.404 57.889 58.100 0.323 0.000 1.230 307 Y CB -0.001 38.660 38.460 0.334 0.000 1.144 307 Y HN 0.029 nan 8.280 nan 0.000 0.529 308 A N 1.016 124.123 122.820 0.478 0.000 2.488 308 A HA 0.204 4.496 4.320 -0.046 0.000 0.249 308 A C 0.219 178.019 177.584 0.360 0.000 1.083 308 A CA -0.410 51.938 52.037 0.518 0.000 0.768 308 A CB -0.002 19.348 19.000 0.582 0.000 1.017 308 A HN 0.341 nan 8.150 nan 0.000 0.496 309 N N 0.900 119.807 118.700 0.345 0.000 2.445 309 N HA 0.308 5.020 4.740 -0.046 0.000 0.264 309 N C -0.409 175.214 175.510 0.189 0.000 1.227 309 N CA -0.226 52.965 53.050 0.236 0.000 0.963 309 N CB 0.711 39.315 38.487 0.195 0.000 1.188 309 N HN 0.477 nan 8.380 nan 0.000 0.491 310 S N 0.605 116.376 115.700 0.118 0.000 2.430 310 S HA 0.365 4.808 4.470 -0.046 0.000 0.289 310 S C 0.207 174.849 174.600 0.071 0.000 1.143 310 S CA -0.657 57.582 58.200 0.066 0.000 1.067 310 S CB -0.022 63.186 63.200 0.015 0.000 0.964 310 S HN 0.229 nan 8.310 nan 0.000 0.485 311 L N 3.606 124.900 121.223 0.118 0.000 2.349 311 L HA 0.370 4.682 4.340 -0.046 0.000 0.275 311 L C 0.645 177.590 176.870 0.125 0.000 1.115 311 L CA -0.285 54.652 54.840 0.163 0.000 0.820 311 L CB 0.492 42.728 42.059 0.296 0.000 1.135 311 L HN 0.528 nan 8.230 nan 0.000 0.445 312 E N 2.897 123.158 120.200 0.101 0.000 2.231 312 E HA 0.372 4.694 4.350 -0.046 0.000 0.277 312 E C -0.704 175.985 176.600 0.148 0.000 0.999 312 E CA -0.826 55.623 56.400 0.082 0.000 0.827 312 E CB 2.190 31.911 29.700 0.034 0.000 1.101 312 E HN 0.438 nan 8.360 nan 0.000 0.393 313 L N 1.903 123.226 121.223 0.166 0.000 2.499 313 L HA 0.032 4.344 4.340 -0.046 0.000 0.273 313 L C 1.335 178.251 176.870 0.077 0.000 1.195 313 L CA 1.032 55.968 54.840 0.161 0.000 0.882 313 L CB 0.185 42.338 42.059 0.157 0.000 1.133 313 L HN 1.053 nan 8.230 nan 0.000 0.483 314 G N 1.932 110.761 108.800 0.048 0.000 2.320 314 G HA2 -0.312 3.621 3.960 -0.046 0.000 0.242 314 G HA3 -0.312 3.621 3.960 -0.046 0.000 0.242 314 G C 0.785 175.695 174.900 0.017 0.000 1.033 314 G CA 0.370 45.484 45.100 0.024 0.000 0.620 314 G HN 0.692 nan 8.290 nan 0.000 0.517 315 C N -0.253 119.062 119.300 0.024 0.000 2.598 315 C HA 0.302 4.734 4.460 -0.046 0.000 0.291 315 C C 2.296 177.291 174.990 0.007 0.000 1.437 315 C CA 1.364 60.386 59.018 0.008 0.000 1.864 315 C CB -0.495 27.245 27.740 0.001 0.000 2.068 315 C HN 0.538 nan 8.230 nan 0.000 0.618 316 D N -0.107 120.309 120.400 0.027 0.000 2.162 316 D HA 0.031 4.644 4.640 -0.046 0.000 0.205 316 D C 0.213 176.568 176.300 0.091 0.000 0.964 316 D CA 1.107 55.133 54.000 0.044 0.000 0.847 316 D CB 0.109 40.945 40.800 0.061 0.000 0.988 316 D HN 0.417 nan 8.370 nan 0.000 0.480 317 c N 1.466 120.106 118.600 0.067 0.000 2.397 317 c HA 0.539 5.081 4.570 -0.046 0.000 0.325 317 c C -0.459 173.578 174.090 -0.088 0.000 1.201 317 c CA -1.108 55.211 56.329 -0.016 0.000 1.377 317 c CB 1.206 43.689 42.510 -0.045 0.000 2.038 317 c HN 0.143 nan 8.230 nan 0.000 0.457 318 L N 3.723 124.850 121.223 -0.159 0.000 2.325 318 L HA 0.982 5.294 4.340 -0.046 0.000 0.278 318 L C 0.454 177.193 176.870 -0.219 0.000 1.023 318 L CA 1.631 56.395 54.840 -0.128 0.000 0.811 318 L CB 1.167 43.193 42.059 -0.056 0.000 1.249 318 L HN 1.155 nan 8.230 nan 0.000 0.431 319 G N 3.200 111.933 108.800 -0.112 0.000 2.342 319 G HA2 -0.109 3.824 3.960 -0.046 0.000 0.220 319 G HA3 -0.109 3.824 3.960 -0.046 0.000 0.220 319 G C -1.260 173.617 174.900 -0.038 0.000 1.243 319 G CA -0.271 44.788 45.100 -0.068 0.000 1.083 319 G HN 0.711 nan 8.290 nan 0.000 0.500 320 D N 1.434 121.844 120.400 0.017 0.000 2.441 320 D HA 0.425 5.038 4.640 -0.046 0.000 0.221 320 D C 0.342 176.677 176.300 0.058 0.000 1.156 320 D CA -0.240 53.782 54.000 0.037 0.000 0.896 320 D CB 0.038 40.866 40.800 0.047 0.000 1.028 320 D HN 0.383 nan 8.370 nan 0.000 0.509 321 I N 2.799 123.361 120.570 -0.013 0.000 2.385 321 I HA 0.204 4.346 4.170 -0.046 0.000 0.294 321 I C 0.866 176.938 176.117 -0.075 0.000 0.988 321 I CA -0.572 60.669 61.300 -0.097 0.000 1.265 321 I CB 1.321 39.103 38.000 -0.362 0.000 1.388 321 I HN 0.252 nan 8.210 nan 0.000 0.480 322 T N 2.956 117.500 114.554 -0.016 0.000 2.792 322 T HA 0.630 4.952 4.350 -0.046 0.000 0.280 322 T C -0.744 173.929 174.700 -0.045 0.000 0.990 322 T CA -0.612 61.531 62.100 0.072 0.000 0.960 322 T CB 0.968 69.987 68.868 0.251 0.000 0.939 322 T HN 0.257 nan 8.240 nan 0.000 0.439 323 Y N 1.576 121.930 120.300 0.090 0.000 2.453 323 Y HA 0.677 5.199 4.550 -0.046 0.000 0.326 323 Y C 0.207 176.131 175.900 0.039 0.000 1.186 323 Y CA -1.418 56.717 58.100 0.059 0.000 1.200 323 Y CB 1.499 39.986 38.460 0.046 0.000 1.247 323 Y HN 0.512 nan 8.280 nan 0.000 0.482 324 L N 1.480 122.826 121.223 0.204 0.000 2.385 324 L HA 0.437 4.750 4.340 -0.046 0.000 0.273 324 L C -0.701 176.191 176.870 0.036 0.000 0.990 324 L CA -0.580 54.312 54.840 0.087 0.000 0.821 324 L CB 1.929 44.011 42.059 0.038 0.000 1.279 324 L HN 0.555 nan 8.230 nan 0.000 0.412 325 S N 4.176 119.870 115.700 -0.009 0.000 2.567 325 S HA 0.314 4.756 4.470 -0.046 0.000 0.262 325 S C -2.286 172.237 174.600 -0.130 0.000 1.237 325 S CA -1.082 57.077 58.200 -0.068 0.000 1.093 325 S CB 0.530 63.704 63.200 -0.043 0.000 1.095 325 S HN 0.376 nan 8.310 nan 0.000 0.489 326 P HA 0.148 nan 4.420 nan 0.000 0.268 326 P C -0.612 176.552 177.300 -0.227 0.000 1.205 326 P CA -0.227 62.666 63.100 -0.345 0.000 0.771 326 P CB 0.730 31.862 31.700 -0.947 0.000 0.858 327 V N 5.172 125.025 119.914 -0.102 0.000 2.472 327 V HA 0.421 4.514 4.120 -0.046 0.000 0.290 327 V C 0.694 176.788 176.094 -0.000 0.000 1.037 327 V CA -0.536 61.738 62.300 -0.044 0.000 0.908 327 V CB 1.399 33.215 31.823 -0.013 0.000 0.985 327 V HN 0.551 nan 8.190 nan 0.000 0.454 328 I N 2.752 123.321 120.570 -0.002 0.000 3.002 328 I HA 0.662 4.805 4.170 -0.046 0.000 0.310 328 I C -0.214 175.896 176.117 -0.012 0.000 1.087 328 I CA -0.360 60.952 61.300 0.019 0.000 1.017 328 I CB 2.556 40.580 38.000 0.040 0.000 1.226 328 I HN 0.655 nan 8.210 nan 0.000 0.443 329 S N 2.649 118.328 115.700 -0.035 0.000 2.525 329 S HA 0.405 4.847 4.470 -0.046 0.000 0.290 329 S C -0.702 173.872 174.600 -0.043 0.000 1.152 329 S CA -0.680 57.490 58.200 -0.049 0.000 1.072 329 S CB 0.948 64.097 63.200 -0.085 0.000 1.027 329 S HN 0.693 nan 8.310 nan 0.000 0.500 330 D N 2.828 123.216 120.400 -0.020 0.000 2.478 330 D HA 0.448 5.060 4.640 -0.046 0.000 0.269 330 D C 1.198 177.445 176.300 -0.089 0.000 1.232 330 D CA -0.196 53.791 54.000 -0.021 0.000 1.059 330 D CB 0.120 40.952 40.800 0.055 0.000 1.104 330 D HN 0.470 nan 8.370 nan 0.000 0.566 331 A N -1.179 121.520 122.820 -0.202 0.000 2.178 331 A HA -0.004 4.288 4.320 -0.046 0.000 0.218 331 A C 1.373 178.589 177.584 -0.613 0.000 1.157 331 A CA 0.742 52.522 52.037 -0.430 0.000 0.689 331 A CB -0.918 17.729 19.000 -0.588 0.000 0.787 331 A HN 0.468 nan 8.150 nan 0.000 0.465 332 F N -1.784 118.165 119.950 -0.003 0.000 2.682 332 F HA 0.402 4.901 4.527 -0.046 0.000 0.308 332 F C 1.695 177.483 175.800 -0.021 0.000 1.093 332 F CA 0.292 58.288 58.000 -0.007 0.000 1.244 332 F CB 0.334 39.330 39.000 -0.006 0.000 1.052 332 F HN 0.284 nan 8.300 nan 0.000 0.573 333 G N 0.789 109.630 108.800 0.069 0.000 2.141 333 G HA2 -0.279 3.653 3.960 -0.046 0.000 0.231 333 G HA3 -0.279 3.653 3.960 -0.046 0.000 0.231 333 G C -0.190 174.720 174.900 0.016 0.000 0.984 333 G CA -0.359 44.750 45.100 0.015 0.000 0.660 333 G HN 0.406 nan 8.290 nan 0.000 0.525 334 N N 2.058 120.793 118.700 0.059 0.000 2.518 334 N HA 0.542 5.255 4.740 -0.046 0.000 0.283 334 N C -2.219 173.297 175.510 0.010 0.000 1.119 334 N CA -1.234 51.837 53.050 0.036 0.000 0.983 334 N CB 1.606 40.131 38.487 0.063 0.000 1.139 334 N HN 0.120 nan 8.380 nan 0.000 0.465 335 P HA 0.074 nan 4.420 nan 0.000 0.275 335 P C -1.018 176.281 177.300 -0.001 0.000 1.227 335 P CA -0.022 63.069 63.100 -0.014 0.000 0.781 335 P CB 0.943 32.629 31.700 -0.022 0.000 0.906 336 R N 2.351 122.849 120.500 -0.004 0.000 2.502 336 R HA 0.249 4.561 4.340 -0.046 0.000 0.300 336 R C -0.721 175.571 176.300 -0.013 0.000 0.984 336 R CA -0.525 55.576 56.100 0.002 0.000 0.882 336 R CB 1.605 31.911 30.300 0.011 0.000 1.180 336 R HN 0.559 nan 8.270 nan 0.000 0.444 337 E N 5.238 125.428 120.200 -0.017 0.000 2.197 337 E HA 0.203 4.525 4.350 -0.046 0.000 0.281 337 E C -0.251 176.324 176.600 -0.042 0.000 0.995 337 E CA -0.668 55.710 56.400 -0.037 0.000 0.808 337 E CB 0.899 30.580 29.700 -0.032 0.000 1.093 337 E HN 0.412 nan 8.360 nan 0.000 0.394 338 I N 5.436 125.957 120.570 -0.081 0.000 2.256 338 I HA 0.176 4.318 4.170 -0.046 0.000 0.294 338 I C 0.645 176.717 176.117 -0.075 0.000 1.127 338 I CA -0.181 61.076 61.300 -0.071 0.000 1.247 338 I CB -0.087 37.836 38.000 -0.129 0.000 1.460 338 I HN 0.540 nan 8.210 nan 0.000 0.511 339 R N 6.104 126.574 120.500 -0.051 0.000 2.522 339 R HA -0.017 4.295 4.340 -0.046 0.000 0.284 339 R C 0.280 176.526 176.300 -0.091 0.000 1.032 339 R CA 0.206 56.264 56.100 -0.070 0.000 1.049 339 R CB 0.218 30.477 30.300 -0.068 0.000 0.956 339 R HN 0.533 nan 8.270 nan 0.000 0.422 340 N N 2.259 120.884 118.700 -0.125 0.000 2.721 340 N HA -0.178 4.535 4.740 -0.046 0.000 0.249 340 N C 0.612 176.174 175.510 0.087 0.000 1.072 340 N CA 1.184 54.136 53.050 -0.164 0.000 0.710 340 N CB -1.273 36.832 38.487 -0.635 0.000 0.993 340 N HN 0.884 nan 8.380 nan 0.000 0.547 341 G N -1.072 107.765 108.800 0.060 0.000 2.572 341 G HA2 0.203 4.136 3.960 -0.046 0.000 0.216 341 G HA3 0.203 4.136 3.960 -0.046 0.000 0.216 341 G C 0.476 175.488 174.900 0.185 0.000 1.133 341 G CA 0.300 45.456 45.100 0.093 0.000 0.791 341 G HN 0.451 nan 8.290 nan 0.000 0.538 342 I N 0.363 121.042 120.570 0.182 0.000 2.478 342 I HA 0.285 4.428 4.170 -0.046 0.000 0.287 342 I C -0.725 175.495 176.117 0.172 0.000 1.042 342 I CA -0.890 60.519 61.300 0.182 0.000 1.067 342 I CB 2.366 40.415 38.000 0.083 0.000 1.233 342 I HN -0.186 nan 8.210 nan 0.000 0.431 343 c N 6.997 125.666 118.600 0.115 0.000 2.365 343 c HA 0.683 5.226 4.570 -0.046 0.000 0.351 343 c C 0.091 174.155 174.090 -0.043 0.000 1.240 343 c CA -0.418 55.884 56.329 -0.045 0.000 2.062 343 c CB 0.642 43.150 42.510 -0.003 0.000 2.387 343 c HN 0.664 nan 8.230 nan 0.000 0.537 344 M N 5.419 124.961 119.600 -0.096 0.000 2.271 344 M HA 0.454 4.907 4.480 -0.046 0.000 0.285 344 M C -0.763 175.507 176.300 -0.051 0.000 1.059 344 M CA -0.154 55.043 55.300 -0.171 0.000 0.940 344 M CB 1.852 34.272 32.600 -0.300 0.000 1.636 344 M HN 0.959 nan 8.290 nan 0.000 0.460 345 H N 1.147 120.061 119.070 -0.260 0.000 3.037 345 H HA 0.465 4.993 4.556 -0.046 0.000 0.336 345 H C -2.082 173.161 175.328 -0.143 0.000 1.323 345 H CA -0.971 55.057 56.048 -0.035 0.000 1.159 345 H CB 1.220 30.997 29.762 0.024 0.000 1.882 345 H HN 0.755 nan 8.280 nan 0.000 0.535 346 E N 1.535 121.734 120.200 -0.002 0.000 2.212 346 E HA 0.530 4.852 4.350 -0.046 0.000 0.270 346 E C -0.851 175.773 176.600 0.040 0.000 0.956 346 E CA -0.903 55.395 56.400 -0.171 0.000 0.825 346 E CB 2.545 32.286 29.700 0.067 0.000 1.167 346 E HN 0.739 nan 8.360 nan 0.000 0.400 347 E N 1.536 121.740 120.200 0.006 0.000 2.390 347 E HA 0.244 4.567 4.350 -0.046 0.000 0.277 347 E C -1.501 175.221 176.600 0.204 0.000 0.939 347 E CA -1.047 55.439 56.400 0.144 0.000 0.769 347 E CB 1.421 31.219 29.700 0.163 0.000 1.251 347 E HN 0.533 nan 8.360 nan 0.000 0.450 348 D N 1.308 121.842 120.400 0.224 0.000 2.424 348 D HA -0.038 4.574 4.640 -0.046 0.000 0.244 348 D C -0.884 175.625 176.300 0.348 0.000 1.134 348 D CA -0.006 54.138 54.000 0.241 0.000 0.881 348 D CB 0.544 41.437 40.800 0.154 0.000 1.191 348 D HN 0.512 nan 8.370 nan 0.000 0.445 349 W N 6.006 127.357 121.300 0.085 0.000 1.658 349 W HA 0.369 5.001 4.660 -0.046 0.000 0.325 349 W C 0.275 176.825 176.519 0.051 0.000 0.833 349 W CA 0.081 57.472 57.345 0.077 0.000 2.665 349 W CB 0.048 29.608 29.460 0.167 0.000 1.615 349 W HN 0.837 nan 8.180 nan 0.000 0.589 350 G N 1.945 110.697 108.800 -0.080 0.000 2.569 350 G HA2 -0.324 3.609 3.960 -0.046 0.000 0.259 350 G HA3 -0.324 3.609 3.960 -0.046 0.000 0.259 350 G C -0.451 174.421 174.900 -0.046 0.000 1.263 350 G CA -0.215 44.803 45.100 -0.137 0.000 0.928 350 G HN 0.064 nan 8.290 nan 0.000 0.572 351 I N 1.304 121.832 120.570 -0.071 0.000 2.496 351 I HA 0.200 4.342 4.170 -0.046 0.000 0.285 351 I C 1.605 177.725 176.117 0.005 0.000 1.080 351 I CA -0.053 61.228 61.300 -0.032 0.000 1.404 351 I CB 0.813 38.785 38.000 -0.045 0.000 1.403 351 I HN 0.643 nan 8.210 nan 0.000 0.539 352 L N 6.596 127.839 121.223 0.033 0.000 2.221 352 L HA 0.469 4.781 4.340 -0.046 0.000 0.202 352 L C 0.631 177.535 176.870 0.057 0.000 1.074 352 L CA 1.023 55.903 54.840 0.067 0.000 0.795 352 L CB 0.116 42.227 42.059 0.088 0.000 0.960 352 L HN 0.714 nan 8.230 nan 0.000 0.458 353 A N -0.609 122.241 122.820 0.050 0.000 2.605 353 A HA 0.658 4.950 4.320 -0.046 0.000 0.294 353 A C -1.192 176.452 177.584 0.101 0.000 1.062 353 A CA -0.615 51.482 52.037 0.099 0.000 0.682 353 A CB 1.072 20.185 19.000 0.187 0.000 1.278 353 A HN 0.031 nan 8.150 nan 0.000 0.410 354 K N 0.752 121.247 120.400 0.158 0.000 2.589 354 K HA 0.543 4.835 4.320 -0.046 0.000 0.265 354 K C -2.335 174.414 176.600 0.249 0.000 0.935 354 K CA -0.502 55.887 56.287 0.170 0.000 0.850 354 K CB 1.761 34.297 32.500 0.062 0.000 1.372 354 K HN 1.169 nan 8.250 nan 0.000 0.420 355 H N 0.145 119.296 119.070 0.136 0.000 3.129 355 H HA 0.380 4.909 4.556 -0.046 0.000 0.342 355 H C -1.960 173.404 175.328 0.060 0.000 1.092 355 H CA -0.300 55.790 56.048 0.070 0.000 1.310 355 H CB 1.982 31.772 29.762 0.047 0.000 1.932 355 H HN 0.409 nan 8.280 nan 0.000 0.507 356 S N 3.940 119.358 115.700 -0.470 0.000 2.520 356 S HA 0.171 4.614 4.470 -0.046 0.000 0.324 356 S C -0.807 173.367 174.600 -0.710 0.000 1.069 356 S CA -0.654 57.306 58.200 -0.401 0.000 1.121 356 S CB 0.449 63.529 63.200 -0.200 0.000 0.971 356 S HN 0.650 nan 8.310 nan 0.000 0.463 357 D N 2.140 122.187 120.400 -0.588 0.000 2.249 357 D HA 0.285 4.897 4.640 -0.046 0.000 0.246 357 D C 0.999 177.180 176.300 -0.198 0.000 1.114 357 D CA -0.558 53.200 54.000 -0.403 0.000 0.854 357 D CB 0.841 41.576 40.800 -0.108 0.000 1.132 357 D HN 0.259 nan 8.370 nan 0.000 0.461 358 L N 5.472 126.550 121.223 -0.241 0.000 2.005 358 L HA -0.021 4.292 4.340 -0.046 0.000 0.207 358 L C 1.454 178.321 176.870 -0.006 0.000 1.072 358 L CA 1.529 56.261 54.840 -0.180 0.000 0.744 358 L CB -0.421 41.446 42.059 -0.320 0.000 0.895 358 L HN 0.618 nan 8.230 nan 0.000 0.433 359 W N -0.118 121.180 121.300 -0.004 0.000 2.358 359 W HA -0.125 4.508 4.660 -0.046 0.000 0.303 359 W C 2.940 179.458 176.519 -0.002 0.000 1.208 359 W CA 1.601 58.947 57.345 0.002 0.000 1.274 359 W CB -1.723 27.745 29.460 0.012 0.000 1.138 359 W HN 0.535 nan 8.180 nan 0.000 0.515 360 S N -1.155 114.680 115.700 0.225 0.000 2.503 360 S HA 0.305 4.748 4.470 -0.046 0.000 0.217 360 S C 1.732 176.375 174.600 0.070 0.000 0.999 360 S CA 0.737 59.013 58.200 0.127 0.000 0.914 360 S CB -0.040 63.225 63.200 0.109 0.000 0.782 360 S HN 0.427 nan 8.310 nan 0.000 0.520 361 G N 1.269 110.097 108.800 0.047 0.000 2.155 361 G HA2 -0.248 3.684 3.960 -0.046 0.000 0.257 361 G HA3 -0.248 3.684 3.960 -0.046 0.000 0.257 361 G C -0.006 174.896 174.900 0.003 0.000 0.983 361 G CA 0.440 45.549 45.100 0.016 0.000 0.676 361 G HN 0.616 nan 8.290 nan 0.000 0.528 362 I N 0.965 121.538 120.570 0.004 0.000 2.342 362 I HA 0.284 4.427 4.170 -0.046 0.000 0.291 362 I C -0.417 175.698 176.117 -0.002 0.000 1.010 362 I CA -0.853 60.456 61.300 0.016 0.000 1.308 362 I CB 1.104 39.126 38.000 0.036 0.000 1.400 362 I HN -0.062 nan 8.210 nan 0.000 0.488 363 N N 6.192 124.907 118.700 0.024 0.000 2.424 363 N HA 0.304 5.017 4.740 -0.046 0.000 0.271 363 N C -1.277 174.304 175.510 0.119 0.000 0.985 363 N CA -0.408 52.657 53.050 0.024 0.000 0.921 363 N CB 1.433 39.917 38.487 -0.004 0.000 1.149 363 N HN 0.444 nan 8.380 nan 0.000 0.492 364 Y N 1.143 121.434 120.300 -0.015 0.000 2.376 364 Y HA 0.538 5.060 4.550 -0.046 0.000 0.340 364 Y C -0.868 175.043 175.900 0.018 0.000 0.965 364 Y CA -0.307 57.801 58.100 0.013 0.000 1.078 364 Y CB 1.578 40.062 38.460 0.040 0.000 1.193 364 Y HN 0.350 nan 8.280 nan 0.000 0.452 365 T N 6.723 121.019 114.554 -0.430 0.000 3.032 365 T HA 0.574 4.896 4.350 -0.046 0.000 0.312 365 T C -1.337 173.084 174.700 -0.465 0.000 1.078 365 T CA -1.023 60.874 62.100 -0.338 0.000 1.028 365 T CB 1.268 70.046 68.868 -0.150 0.000 1.091 365 T HN 0.410 nan 8.240 nan 0.000 0.457 366 R N 1.730 122.035 120.500 -0.325 0.000 2.673 366 R HA 0.536 4.848 4.340 -0.046 0.000 0.281 366 R C -0.537 175.718 176.300 -0.074 0.000 0.991 366 R CA -0.881 55.090 56.100 -0.214 0.000 0.896 366 R CB 2.202 32.387 30.300 -0.192 0.000 1.201 366 R HN 0.519 nan 8.270 nan 0.000 0.457 367 R N 1.232 121.715 120.500 -0.028 0.000 2.500 367 R HA 0.333 4.645 4.340 -0.046 0.000 0.277 367 R C 0.144 176.501 176.300 0.094 0.000 1.026 367 R CA -0.843 55.274 56.100 0.029 0.000 1.058 367 R CB 1.063 31.385 30.300 0.037 0.000 1.078 367 R HN 0.406 nan 8.270 nan 0.000 0.509 368 N N 1.033 119.824 118.700 0.152 0.000 2.477 368 N HA 0.380 5.093 4.740 -0.046 0.000 0.284 368 N C -0.976 174.741 175.510 0.344 0.000 1.182 368 N CA -0.366 52.843 53.050 0.265 0.000 0.949 368 N CB 1.200 39.889 38.487 0.335 0.000 1.204 368 N HN 0.403 nan 8.380 nan 0.000 0.526 369 R N -0.256 120.502 120.500 0.431 0.000 2.707 369 R HA 0.457 4.770 4.340 -0.046 0.000 0.272 369 R C -0.918 175.658 176.300 0.461 0.000 1.011 369 R CA -0.844 55.529 56.100 0.455 0.000 0.893 369 R CB 2.229 32.821 30.300 0.486 0.000 1.233 369 R HN 0.641 nan 8.270 nan 0.000 0.464 370 R N 2.170 122.749 120.500 0.131 0.000 2.744 370 R HA 0.537 4.849 4.340 -0.046 0.000 0.279 370 R C -1.419 174.470 176.300 -0.685 0.000 0.977 370 R CA -0.942 54.924 56.100 -0.390 0.000 0.906 370 R CB 1.895 31.642 30.300 -0.922 0.000 1.197 370 R HN 0.498 nan 8.270 nan 0.000 0.463 371 M N 3.192 122.143 119.600 -1.083 0.000 2.157 371 M HA 0.319 4.772 4.480 -0.046 0.000 0.354 371 M C -1.660 174.187 176.300 -0.754 0.000 1.170 371 M CA -0.567 53.995 55.300 -1.229 0.000 1.060 371 M CB 1.646 33.303 32.600 -1.573 0.000 1.615 371 M HN 0.448 nan 8.290 nan 0.000 0.460 372 V N 7.131 126.633 119.914 -0.687 0.000 2.459 372 V HA 0.564 4.656 4.120 -0.046 0.000 0.295 372 V C -0.403 175.482 176.094 -0.350 0.000 1.029 372 V CA -0.542 61.501 62.300 -0.428 0.000 0.874 372 V CB 1.422 32.994 31.823 -0.418 0.000 0.985 372 V HN 0.800 nan 8.190 nan 0.000 0.438 373 I N 4.745 125.184 120.570 -0.217 0.000 2.468 373 I HA 0.580 4.722 4.170 -0.046 0.000 0.284 373 I C -0.128 175.971 176.117 -0.030 0.000 1.038 373 I CA -0.009 61.216 61.300 -0.125 0.000 1.083 373 I CB 1.901 39.823 38.000 -0.130 0.000 1.223 373 I HN 0.778 nan 8.210 nan 0.000 0.443 374 S N 5.695 121.371 115.700 -0.040 0.000 2.618 374 S HA 0.885 5.327 4.470 -0.046 0.000 0.277 374 S C -0.915 173.760 174.600 0.125 0.000 1.138 374 S CA -0.718 57.390 58.200 -0.153 0.000 0.844 374 S CB 2.741 65.478 63.200 -0.771 0.000 1.127 374 S HN 0.528 nan 8.310 nan 0.000 0.474 375 F N -0.981 118.907 119.950 -0.104 0.000 2.678 375 F HA 0.851 5.351 4.527 -0.046 0.000 0.308 375 F C -2.334 173.558 175.800 0.152 0.000 1.118 375 F CA -1.679 56.387 58.000 0.110 0.000 0.959 375 F CB 0.726 39.853 39.000 0.212 0.000 1.305 375 F HN 0.597 nan 8.300 nan 0.000 0.443 376 F N 1.329 121.252 119.950 -0.044 0.000 2.508 376 F HA 0.726 5.225 4.527 -0.046 0.000 0.325 376 F C 0.057 175.896 175.800 0.065 0.000 1.090 376 F CA -0.434 57.517 58.000 -0.083 0.000 0.945 376 F CB 2.318 41.335 39.000 0.029 0.000 1.156 376 F HN 0.836 nan 8.300 nan 0.000 0.463 377 T N 1.777 116.516 114.554 0.308 0.000 2.906 377 T HA 0.606 4.928 4.350 -0.046 0.000 0.295 377 T C -1.203 173.741 174.700 0.407 0.000 1.061 377 T CA -0.366 61.988 62.100 0.422 0.000 1.000 377 T CB 1.266 70.416 68.868 0.470 0.000 1.103 377 T HN 0.559 nan 8.240 nan 0.000 0.486 378 T N 4.299 119.071 114.554 0.364 0.000 2.840 378 T HA 0.560 4.883 4.350 -0.046 0.000 0.287 378 T C -0.506 174.272 174.700 0.130 0.000 0.991 378 T CA -0.430 61.801 62.100 0.218 0.000 0.964 378 T CB 0.373 69.345 68.868 0.174 0.000 0.954 378 T HN 0.502 nan 8.240 nan 0.000 0.438 379 I N 3.697 124.291 120.570 0.041 0.000 2.537 379 I HA 0.441 4.584 4.170 -0.046 0.000 0.276 379 I C 1.116 177.164 176.117 -0.114 0.000 1.063 379 I CA -0.244 60.989 61.300 -0.111 0.000 1.144 379 I CB 0.535 38.507 38.000 -0.047 0.000 1.252 379 I HN 0.955 nan 8.210 nan 0.000 0.480 380 G N 6.141 114.886 108.800 -0.092 0.000 2.559 380 G HA2 -0.302 3.630 3.960 -0.046 0.000 0.282 380 G HA3 -0.302 3.630 3.960 -0.046 0.000 0.282 380 G C 0.145 174.993 174.900 -0.087 0.000 1.177 380 G CA 0.322 45.436 45.100 0.023 0.000 0.960 380 G HN 0.658 nan 8.290 nan 0.000 0.540 384 Y N 0.400 120.731 120.300 0.051 0.000 2.409 384 Y HA 0.697 5.220 4.550 -0.045 0.000 0.343 384 Y C 0.801 176.114 175.900 -0.978 0.000 0.973 384 Y CA -1.054 56.850 58.100 -0.327 0.000 1.064 384 Y CB 2.498 40.819 38.460 -0.232 0.000 1.207 384 Y HN 0.448 nan 8.280 nan 0.000 0.452 385 G N 2.541 110.595 108.800 -1.244 0.000 2.335 385 G HA2 0.563 4.495 3.960 -0.046 0.000 0.316 385 G HA3 0.563 4.495 3.960 -0.046 0.000 0.316 385 G C -1.584 172.783 174.900 -0.888 0.000 1.129 385 G CA -0.385 43.780 45.100 -1.560 0.000 0.899 385 G HN 0.373 nan 8.290 nan 0.000 0.448 386 F N 1.676 121.150 119.950 -0.794 0.000 2.411 386 F HA 0.486 4.985 4.527 -0.046 0.000 0.352 386 F C -0.610 174.817 175.800 -0.621 0.000 1.123 386 F CA -0.605 57.113 58.000 -0.471 0.000 1.044 386 F CB 1.738 40.668 39.000 -0.116 0.000 1.135 386 F HN 0.318 nan 8.300 nan 0.000 0.461 387 Y N 1.450 121.335 120.300 -0.692 0.000 2.391 387 Y HA 0.420 4.942 4.550 -0.046 0.000 0.341 387 Y C -1.152 174.084 175.900 -1.106 0.000 0.965 387 Y CA -1.539 56.098 58.100 -0.772 0.000 1.067 387 Y CB 1.437 39.371 38.460 -0.876 0.000 1.199 387 Y HN 0.518 nan 8.280 nan 0.000 0.450 388 W N 3.519 124.495 121.300 -0.540 0.000 2.475 388 W HA 0.605 5.238 4.660 -0.046 0.000 0.317 388 W C -1.412 174.690 176.519 -0.695 0.000 1.046 388 W CA -0.729 56.321 57.345 -0.491 0.000 1.215 388 W CB 1.158 30.481 29.460 -0.228 0.000 1.335 388 W HN 0.341 nan 8.180 nan 0.000 0.471 389 Y N 3.020 123.215 120.300 -0.174 0.000 2.429 389 Y HA 0.685 5.208 4.550 -0.046 0.000 0.342 389 Y C -0.223 175.332 175.900 -0.575 0.000 1.004 389 Y CA -1.662 56.132 58.100 -0.509 0.000 1.075 389 Y CB 1.223 39.267 38.460 -0.694 0.000 1.214 389 Y HN 0.074 nan 8.280 nan 0.000 0.455 390 L N 3.919 124.763 121.223 -0.630 0.000 2.376 390 L HA 0.508 4.821 4.340 -0.046 0.000 0.275 390 L C -1.297 175.327 176.870 -0.410 0.000 0.987 390 L CA -0.819 53.600 54.840 -0.702 0.000 0.828 390 L CB 1.295 42.657 42.059 -1.160 0.000 1.249 390 L HN 0.588 nan 8.230 nan 0.000 0.409 391 Y N 1.906 122.322 120.300 0.195 0.000 2.453 391 Y HA 0.327 4.849 4.550 -0.046 0.000 0.326 391 Y C 1.224 177.568 175.900 0.740 0.000 1.186 391 Y CA -0.758 57.584 58.100 0.404 0.000 1.200 391 Y CB 1.346 39.944 38.460 0.229 0.000 1.247 391 Y HN 0.438 nan 8.280 nan 0.000 0.482 392 L N 0.779 122.428 121.223 0.709 0.000 2.079 392 L HA -0.213 4.099 4.340 -0.046 0.000 0.210 392 L C 1.778 178.887 176.870 0.400 0.000 1.081 392 L CA 1.774 56.903 54.840 0.481 0.000 0.752 392 L CB -0.317 41.905 42.059 0.271 0.000 0.896 392 L HN 0.784 nan 8.230 nan 0.000 0.433 393 D N -0.375 120.233 120.400 0.346 0.000 2.352 393 D HA -0.039 4.574 4.640 -0.046 0.000 0.232 393 D C 1.381 177.761 176.300 0.133 0.000 1.055 393 D CA 0.934 55.025 54.000 0.152 0.000 0.891 393 D CB 0.311 41.178 40.800 0.111 0.000 0.897 393 D HN 0.382 nan 8.370 nan 0.000 0.529 394 G N -0.274 108.760 108.800 0.390 0.000 2.176 394 G HA2 -0.241 3.691 3.960 -0.046 0.000 0.232 394 G HA3 -0.241 3.691 3.960 -0.046 0.000 0.232 394 G C 0.388 175.751 174.900 0.771 0.000 0.986 394 G CA 0.220 45.582 45.100 0.437 0.000 0.643 394 G HN 0.447 nan 8.290 nan 0.000 0.522 395 T N 1.351 116.291 114.554 0.643 0.000 2.884 395 T HA 0.575 4.897 4.350 -0.046 0.000 0.298 395 T C 0.477 175.529 174.700 0.587 0.000 0.998 395 T CA 0.416 62.837 62.100 0.534 0.000 1.124 395 T CB 1.393 70.426 68.868 0.274 0.000 0.931 395 T HN 0.344 nan 8.240 nan 0.000 0.531 396 I N 2.577 123.413 120.570 0.443 0.000 2.433 396 I HA 0.485 4.628 4.170 -0.046 0.000 0.292 396 I C 0.102 176.354 176.117 0.226 0.000 1.001 396 I CA -0.620 60.830 61.300 0.251 0.000 1.119 396 I CB 1.907 40.026 38.000 0.199 0.000 1.289 396 I HN 0.595 nan 8.210 nan 0.000 0.438 397 E N 5.563 125.854 120.200 0.152 0.000 2.331 397 E HA 0.465 4.787 4.350 -0.046 0.000 0.275 397 E C -2.015 174.438 176.600 -0.245 0.000 0.895 397 E CA -0.647 55.755 56.400 0.004 0.000 0.753 397 E CB 2.639 32.483 29.700 0.240 0.000 1.216 397 E HN 0.417 nan 8.360 nan 0.000 0.434 398 F N 2.496 121.914 119.950 -0.885 0.000 2.508 398 F HA 0.529 5.028 4.527 -0.046 0.000 0.325 398 F C -1.055 174.237 175.800 -0.847 0.000 1.090 398 F CA -0.527 56.767 58.000 -1.176 0.000 0.945 398 F CB 1.781 39.732 39.000 -1.749 0.000 1.156 398 F HN 0.502 nan 8.300 nan 0.000 0.463 399 E N 3.903 122.983 120.200 -1.867 0.000 2.278 399 E HA 0.671 4.994 4.350 -0.046 0.000 0.272 399 E C -1.871 173.874 176.600 -1.425 0.000 0.890 399 E CA -0.951 54.722 56.400 -1.212 0.000 0.770 399 E CB 1.750 31.146 29.700 -0.507 0.000 1.212 399 E HN 0.841 nan 8.360 nan 0.000 0.415 400 A N 4.541 126.752 122.820 -1.014 0.000 2.288 400 A HA 0.496 4.788 4.320 -0.046 0.000 0.320 400 A C -0.729 176.564 177.584 -0.485 0.000 1.217 400 A CA -0.653 50.871 52.037 -0.855 0.000 0.840 400 A CB 0.673 19.062 19.000 -1.019 0.000 1.179 400 A HN 0.523 nan 8.150 nan 0.000 0.504 401 K N 2.061 122.219 120.400 -0.402 0.000 2.367 401 K HA 0.529 4.821 4.320 -0.046 0.000 0.263 401 K C -0.478 176.016 176.600 -0.177 0.000 1.000 401 K CA -0.212 55.933 56.287 -0.237 0.000 0.891 401 K CB 1.902 34.310 32.500 -0.154 0.000 1.117 401 K HN 0.720 nan 8.250 nan 0.000 0.443 402 A N 2.775 125.516 122.820 -0.133 0.000 2.260 402 A HA 0.449 4.742 4.320 -0.046 0.000 0.308 402 A C 0.044 177.512 177.584 -0.193 0.000 1.254 402 A CA -0.168 51.766 52.037 -0.171 0.000 0.874 402 A CB 1.040 19.902 19.000 -0.231 0.000 1.153 402 A HN 0.679 nan 8.150 nan 0.000 0.527 403 T N 1.168 115.599 114.554 -0.205 0.000 2.564 403 T HA 0.812 5.135 4.350 -0.046 0.000 0.265 403 T C 0.520 175.091 174.700 -0.214 0.000 0.908 403 T CA 1.071 63.083 62.100 -0.147 0.000 1.166 403 T CB 0.627 69.469 68.868 -0.043 0.000 1.497 403 T HN 2.599 nan 8.240 nan 0.000 0.484 404 G N -0.110 108.568 108.800 -0.203 0.000 2.482 404 G HA2 -0.024 3.908 3.960 -0.046 0.000 0.214 404 G HA3 -0.024 3.908 3.960 -0.046 0.000 0.214 404 G C -1.073 173.666 174.900 -0.268 0.000 1.271 404 G CA -0.238 44.711 45.100 -0.251 0.000 0.944 404 G HN 1.298 nan 8.290 nan 0.000 0.568 405 V N 0.341 120.062 119.914 -0.321 0.000 2.459 405 V HA 0.628 4.720 4.120 -0.046 0.000 0.295 405 V C 0.955 176.912 176.094 -0.229 0.000 1.029 405 V CA -0.178 61.945 62.300 -0.295 0.000 0.874 405 V CB 1.341 32.907 31.823 -0.429 0.000 0.985 405 V HN 1.355 nan 8.190 nan 0.000 0.438 406 V N 5.533 125.457 119.914 0.016 0.000 2.715 406 V HA 0.283 4.376 4.120 -0.046 0.000 0.299 406 V C -0.192 175.938 176.094 0.061 0.000 1.054 406 V CA -0.023 62.327 62.300 0.084 0.000 1.077 406 V CB 0.900 32.850 31.823 0.212 0.000 0.972 406 V HN 0.676 nan 8.190 nan 0.000 0.484 407 F N 6.176 126.059 119.950 -0.111 0.000 2.504 407 F HA 0.406 4.909 4.527 -0.041 0.000 0.369 407 F C 0.887 176.740 175.800 0.087 0.000 1.082 407 F CA 0.387 58.362 58.000 -0.042 0.000 1.216 407 F CB 0.726 39.653 39.000 -0.122 0.000 1.108 407 F HN 0.768 nan 8.300 nan 0.000 0.554 408 T N 1.827 116.266 114.554 -0.192 0.000 2.936 408 T HA 0.814 5.136 4.350 -0.046 0.000 0.282 408 T C -0.149 174.500 174.700 -0.084 0.000 1.003 408 T CA -0.231 61.831 62.100 -0.064 0.000 1.005 408 T CB 1.649 70.494 68.868 -0.038 0.000 1.097 408 T HN 0.725 nan 8.240 nan 0.000 0.532 409 S N -0.432 115.225 115.700 -0.072 0.000 2.790 409 S HA 0.788 5.230 4.470 -0.046 0.000 0.292 409 S C -0.906 173.618 174.600 -0.126 0.000 1.197 409 S CA -0.791 57.338 58.200 -0.118 0.000 0.851 409 S CB 0.796 63.950 63.200 -0.077 0.000 1.217 409 S HN 1.423 nan 8.310 nan 0.000 0.526 410 A N 0.472 123.182 122.820 -0.183 0.000 2.303 410 A HA 0.742 5.034 4.320 -0.046 0.000 0.317 410 A C -0.983 176.601 177.584 -0.001 0.000 1.149 410 A CA -0.497 51.478 52.037 -0.103 0.000 0.822 410 A CB 0.112 19.012 19.000 -0.168 0.000 1.131 410 A HN 0.946 nan 8.150 nan 0.000 0.493 411 F N 3.437 123.346 119.950 -0.068 0.000 2.404 411 F HA 0.525 5.023 4.527 -0.050 0.000 0.358 411 F C -2.170 173.645 175.800 0.024 0.000 1.120 411 F CA -2.509 55.467 58.000 -0.041 0.000 1.144 411 F CB 0.919 39.891 39.000 -0.047 0.000 1.133 411 F HN 0.309 nan 8.300 nan 0.000 0.495 412 P HA 0.070 nan 4.420 nan 0.000 0.268 412 P C 0.351 177.426 177.300 -0.375 0.000 1.205 412 P CA 0.126 63.073 63.100 -0.254 0.000 0.771 412 P CB 0.655 32.217 31.700 -0.230 0.000 0.858 413 E N 1.805 121.917 120.200 -0.146 0.000 2.097 413 E HA -0.178 4.144 4.350 -0.046 0.000 0.196 413 E C 2.079 178.608 176.600 -0.118 0.000 1.000 413 E CA 1.567 57.914 56.400 -0.087 0.000 0.804 413 E CB -0.544 29.128 29.700 -0.047 0.000 0.740 413 E HN 0.681 nan 8.360 nan 0.000 0.454 414 G N 0.364 109.079 108.800 -0.141 0.000 2.534 414 G HA2 0.179 4.111 3.960 -0.046 0.000 0.217 414 G HA3 0.179 4.111 3.960 -0.046 0.000 0.217 414 G C 0.682 175.493 174.900 -0.150 0.000 1.128 414 G CA 0.455 45.488 45.100 -0.112 0.000 0.784 414 G HN 0.536 nan 8.290 nan 0.000 0.542 415 G N -1.871 106.720 108.800 -0.347 0.000 2.525 415 G HA2 0.327 4.260 3.960 -0.046 0.000 0.685 415 G HA3 0.327 4.260 3.960 -0.046 0.000 0.685 415 G C -0.605 174.079 174.900 -0.360 0.000 1.290 415 G CA 0.087 44.945 45.100 -0.403 0.000 0.915 415 G HN 1.180 nan 8.290 nan 0.000 0.548 416 S N -1.339 114.257 115.700 -0.174 0.000 2.537 416 S HA 0.614 5.057 4.470 -0.046 0.000 0.271 416 S C -0.415 174.169 174.600 -0.027 0.000 1.148 416 S CA 0.197 58.329 58.200 -0.113 0.000 0.868 416 S CB 1.847 64.949 63.200 -0.163 0.000 1.115 416 S HN 0.579 nan 8.310 nan 0.000 0.461 417 D N 2.239 122.610 120.400 -0.049 0.000 2.349 417 D HA 0.203 4.815 4.640 -0.046 0.000 0.214 417 D C 0.196 176.443 176.300 -0.088 0.000 1.063 417 D CA 0.467 54.468 54.000 0.002 0.000 0.847 417 D CB 0.092 40.914 40.800 0.036 0.000 0.933 417 D HN 0.600 nan 8.370 nan 0.000 0.513 418 N N -0.493 118.007 118.700 -0.333 0.000 2.184 418 N HA 0.264 4.976 4.740 -0.046 0.000 0.234 418 N C -0.397 174.468 175.510 -1.075 0.000 1.282 418 N CA -0.014 52.649 53.050 -0.646 0.000 0.877 418 N CB 1.719 40.092 38.487 -0.190 0.000 1.184 418 N HN -0.011 nan 8.380 nan 0.000 0.510 419 I N -0.153 119.884 120.570 -0.890 0.000 2.722 419 I HA 0.345 4.487 4.170 -0.046 0.000 0.295 419 I C -0.718 175.353 176.117 -0.077 0.000 1.161 419 I CA -0.752 60.303 61.300 -0.409 0.000 1.032 419 I CB 2.318 40.294 38.000 -0.040 0.000 1.244 419 I HN -0.143 nan 8.210 nan 0.000 0.421 420 S N 3.266 119.044 115.700 0.131 0.000 2.549 420 S HA 0.368 4.811 4.470 -0.046 0.000 0.297 420 S C -0.620 173.900 174.600 -0.133 0.000 1.115 420 S CA -0.541 57.751 58.200 0.153 0.000 1.059 420 S CB 1.778 65.156 63.200 0.296 0.000 1.046 420 S HN 0.571 nan 8.310 nan 0.000 0.506 421 Q N 2.015 121.525 119.800 -0.483 0.000 2.274 421 Q HA 0.417 4.730 4.340 -0.046 0.000 0.256 421 Q C -0.135 175.655 176.000 -0.349 0.000 0.927 421 Q CA -0.315 55.036 55.803 -0.752 0.000 0.939 421 Q CB 0.507 28.462 28.738 -1.307 0.000 1.201 421 Q HN 0.717 nan 8.270 nan 0.000 0.426 422 L N 2.214 123.254 121.223 -0.305 0.000 2.537 422 L HA 0.547 4.860 4.340 -0.046 0.000 0.224 422 L C 0.352 177.089 176.870 -0.222 0.000 1.065 422 L CA 0.112 54.816 54.840 -0.227 0.000 0.860 422 L CB 0.602 42.451 42.059 -0.349 0.000 1.086 422 L HN 0.646 nan 8.230 nan 0.000 0.482 423 A N -0.982 121.676 122.820 -0.269 0.000 2.564 423 A HA 0.632 4.924 4.320 -0.046 0.000 0.291 423 A C -2.779 174.728 177.584 -0.127 0.000 1.102 423 A CA -0.973 50.969 52.037 -0.158 0.000 0.660 423 A CB 0.375 19.271 19.000 -0.173 0.000 1.283 423 A HN -0.238 nan 8.150 nan 0.000 0.430 424 P HA 0.308 nan 4.420 nan 0.000 0.261 424 P C 1.025 178.329 177.300 0.006 0.000 1.203 424 P CA 2.298 65.393 63.100 -0.008 0.000 0.767 424 P CB 0.437 32.147 31.700 0.016 0.000 0.785 425 G N 2.355 111.192 108.800 0.062 0.000 2.212 425 G HA2 -0.280 3.652 3.960 -0.046 0.000 0.266 425 G HA3 -0.280 3.652 3.960 -0.046 0.000 0.266 425 G C -0.149 174.785 174.900 0.057 0.000 0.978 425 G CA -0.072 45.085 45.100 0.095 0.000 0.632 425 G HN 0.563 nan 8.290 nan 0.000 0.537 426 L N 1.723 122.917 121.223 -0.048 0.000 2.282 426 L HA 0.800 5.113 4.340 -0.046 0.000 0.288 426 L C 0.676 177.452 176.870 -0.157 0.000 1.033 426 L CA 0.224 54.969 54.840 -0.159 0.000 0.807 426 L CB 1.248 43.087 42.059 -0.366 0.000 1.209 426 L HN 0.420 nan 8.230 nan 0.000 0.423 427 G N 3.213 111.967 108.800 -0.077 0.000 2.568 427 G HA2 0.814 4.746 3.960 -0.046 0.000 0.313 427 G HA3 0.814 4.746 3.960 -0.046 0.000 0.313 427 G C -1.756 173.119 174.900 -0.042 0.000 1.227 427 G CA -0.347 44.749 45.100 -0.006 0.000 0.979 427 G HN 0.941 nan 8.290 nan 0.000 0.486 428 A N 0.921 123.761 122.820 0.033 0.000 2.446 428 A HA 0.767 5.059 4.320 -0.046 0.000 0.282 428 A C -2.932 174.758 177.584 0.176 0.000 1.102 428 A CA -1.260 50.836 52.037 0.098 0.000 0.737 428 A CB 1.768 20.824 19.000 0.094 0.000 1.212 428 A HN 0.399 nan 8.150 nan 0.000 0.434 429 P HA 0.238 nan 4.420 nan 0.000 0.269 429 P C -0.433 177.116 177.300 0.415 0.000 1.209 429 P CA 0.137 63.369 63.100 0.221 0.000 0.776 429 P CB 0.207 32.086 31.700 0.299 0.000 0.876 430 F N 3.287 123.347 119.950 0.184 0.000 2.471 430 F HA 0.232 4.732 4.527 -0.044 0.000 0.353 430 F C 1.559 177.329 175.800 -0.051 0.000 1.113 430 F CA 0.443 58.476 58.000 0.055 0.000 1.262 430 F CB -0.404 38.649 39.000 0.087 0.000 1.146 430 F HN 0.486 nan 8.300 nan 0.000 0.578 431 H N 0.145 119.077 119.070 -0.230 0.000 2.932 431 H HA 0.498 5.027 4.556 -0.045 0.000 0.307 431 H C -1.824 173.228 175.328 -0.461 0.000 1.391 431 H CA -1.116 54.613 56.048 -0.532 0.000 1.130 431 H CB 1.439 30.537 29.762 -1.106 0.000 1.836 431 H HN 0.578 nan 8.280 nan 0.000 0.522 432 Q N 0.307 119.819 119.800 -0.480 0.000 2.413 432 Q HA 0.357 4.669 4.340 -0.046 0.000 0.276 432 Q C -1.053 174.677 176.000 -0.449 0.000 1.099 432 Q CA -0.903 54.665 55.803 -0.391 0.000 0.814 432 Q CB 2.909 31.471 28.738 -0.294 0.000 1.379 432 Q HN 0.551 nan 8.270 nan 0.000 0.436 433 H N 1.969 120.908 119.070 -0.219 0.000 2.718 433 H HA 0.416 4.944 4.556 -0.046 0.000 0.295 433 H C -0.734 174.335 175.328 -0.433 0.000 1.051 433 H CA -0.244 55.611 56.048 -0.322 0.000 1.260 433 H CB 0.699 30.366 29.762 -0.159 0.000 1.403 433 H HN 0.430 nan 8.280 nan 0.000 0.488 434 I N 3.927 124.226 120.570 -0.450 0.000 2.377 434 I HA 0.234 4.377 4.170 -0.046 0.000 0.293 434 I C -0.466 175.332 176.117 -0.531 0.000 0.987 434 I CA -0.540 60.539 61.300 -0.370 0.000 1.185 434 I CB 0.945 38.783 38.000 -0.269 0.000 1.341 434 I HN 0.230 nan 8.210 nan 0.000 0.455 435 F N 3.108 122.803 119.950 -0.425 0.000 2.523 435 F HA 0.521 5.021 4.527 -0.046 0.000 0.329 435 F C 0.495 176.082 175.800 -0.355 0.000 1.061 435 F CA -0.786 56.916 58.000 -0.496 0.000 0.967 435 F CB 1.888 40.300 39.000 -0.979 0.000 1.218 435 F HN 0.249 nan 8.300 nan 0.000 0.480 436 S N 1.305 117.040 115.700 0.059 0.000 2.707 436 S HA 0.776 5.218 4.470 -0.046 0.000 0.312 436 S C -0.915 173.792 174.600 0.179 0.000 1.116 436 S CA -0.514 57.752 58.200 0.110 0.000 1.078 436 S CB 0.442 63.529 63.200 -0.188 0.000 0.997 436 S HN 0.824 nan 8.310 nan 0.000 0.477 437 A N 4.749 127.734 122.820 0.276 0.000 2.274 437 A HA 0.644 4.937 4.320 -0.046 0.000 0.309 437 A C 0.132 177.755 177.584 0.064 0.000 1.226 437 A CA -0.682 51.472 52.037 0.195 0.000 0.853 437 A CB 0.446 19.532 19.000 0.143 0.000 1.146 437 A HN 0.838 nan 8.150 nan 0.000 0.518 438 R N 3.407 123.875 120.500 -0.054 0.000 2.239 438 R HA 0.441 4.754 4.340 -0.046 0.000 0.332 438 R C -1.645 174.473 176.300 -0.303 0.000 0.988 438 R CA -0.633 55.238 56.100 -0.382 0.000 0.859 438 R CB 0.360 30.314 30.300 -0.577 0.000 1.148 438 R HN 0.503 nan 8.270 nan 0.000 0.482 439 L N 4.578 125.624 121.223 -0.296 0.000 2.283 439 L HA 0.224 4.537 4.340 -0.046 0.000 0.281 439 L C -0.323 176.416 176.870 -0.220 0.000 1.033 439 L CA -0.504 54.223 54.840 -0.188 0.000 0.848 439 L CB 0.889 42.889 42.059 -0.099 0.000 1.226 439 L HN 0.552 nan 8.230 nan 0.000 0.429 440 D N 4.376 124.656 120.400 -0.200 0.000 2.374 440 D HA 0.132 4.744 4.640 -0.046 0.000 0.240 440 D C 0.032 176.271 176.300 -0.102 0.000 1.229 440 D CA -0.263 53.660 54.000 -0.129 0.000 0.895 440 D CB 0.494 41.238 40.800 -0.092 0.000 1.046 440 D HN 0.139 nan 8.370 nan 0.000 0.498 441 M N 2.520 122.071 119.600 -0.081 0.000 2.228 441 M HA 0.347 4.799 4.480 -0.046 0.000 0.351 441 M C 0.324 176.525 176.300 -0.165 0.000 1.233 441 M CA -0.406 54.832 55.300 -0.102 0.000 1.129 441 M CB 0.786 33.350 32.600 -0.059 0.000 1.604 441 M HN 0.478 nan 8.290 nan 0.000 0.457 442 A N 4.376 127.035 122.820 -0.268 0.000 3.292 442 A HA 0.389 4.682 4.320 -0.046 0.000 0.231 442 A C -0.245 177.167 177.584 -0.287 0.000 0.952 442 A CA -0.532 51.222 52.037 -0.472 0.000 1.044 442 A CB 0.113 18.665 19.000 -0.747 0.000 1.236 442 A HN 0.631 nan 8.150 nan 0.000 0.525 443 I N 1.673 122.150 120.570 -0.154 0.000 2.705 443 I HA 0.032 4.175 4.170 -0.046 0.000 0.291 443 I C 0.424 176.563 176.117 0.036 0.000 1.146 443 I CA 0.865 62.152 61.300 -0.020 0.000 1.383 443 I CB -1.125 36.908 38.000 0.055 0.000 1.454 443 I HN 0.488 nan 8.210 nan 0.000 0.581 444 D N 4.842 125.286 120.400 0.073 0.000 2.911 444 D HA -0.160 4.453 4.640 -0.046 0.000 0.227 444 D C 0.614 176.872 176.300 -0.070 0.000 1.164 444 D CA 1.643 55.649 54.000 0.010 0.000 0.782 444 D CB -0.698 40.091 40.800 -0.018 0.000 1.094 444 D HN 1.082 nan 8.370 nan 0.000 0.425 445 G N -2.176 106.518 108.800 -0.178 0.000 2.354 445 G HA2 -0.020 3.912 3.960 -0.046 0.000 0.582 445 G HA3 -0.020 3.912 3.960 -0.046 0.000 0.582 445 G C 0.133 174.828 174.900 -0.341 0.000 1.316 445 G CA -0.400 44.559 45.100 -0.234 0.000 0.995 445 G HN 0.044 nan 8.290 nan 0.000 0.573 446 F N 0.596 120.535 119.950 -0.018 0.000 2.797 446 F HA 0.260 4.760 4.527 -0.046 0.000 0.302 446 F C 1.994 177.790 175.800 -0.008 0.000 1.130 446 F CA 0.906 58.889 58.000 -0.028 0.000 1.387 446 F CB 0.678 39.647 39.000 -0.051 0.000 1.107 446 F HN 0.260 nan 8.300 nan 0.000 0.577 447 T N 1.869 116.493 114.554 0.116 0.000 3.162 447 T HA 0.210 4.533 4.350 -0.046 0.000 0.316 447 T C -0.116 174.620 174.700 0.059 0.000 1.182 447 T CA -0.270 61.883 62.100 0.087 0.000 1.015 447 T CB -0.390 68.517 68.868 0.066 0.000 1.089 447 T HN -0.025 nan 8.240 nan 0.000 0.646 448 N N 2.592 121.332 118.700 0.067 0.000 2.457 448 N HA 0.666 5.379 4.740 -0.046 0.000 0.290 448 N C -0.251 175.298 175.510 0.066 0.000 1.232 448 N CA -0.971 52.112 53.050 0.056 0.000 0.852 448 N CB 1.786 40.297 38.487 0.041 0.000 1.313 448 N HN 0.544 nan 8.380 nan 0.000 0.522 449 R N -1.054 119.486 120.500 0.067 0.000 2.739 449 R HA 0.663 4.976 4.340 -0.046 0.000 0.271 449 R C -2.040 174.310 176.300 0.083 0.000 1.010 449 R CA -0.665 55.478 56.100 0.073 0.000 0.897 449 R CB 0.724 31.063 30.300 0.066 0.000 1.236 449 R HN 0.234 nan 8.270 nan 0.000 0.466 450 V N 1.853 121.823 119.914 0.093 0.000 2.495 450 V HA 0.417 4.509 4.120 -0.046 0.000 0.298 450 V C -0.524 175.652 176.094 0.137 0.000 1.031 450 V CA -0.659 61.712 62.300 0.118 0.000 0.871 450 V CB 1.715 33.604 31.823 0.111 0.000 0.988 450 V HN 0.765 nan 8.190 nan 0.000 0.432 451 E N 2.797 123.090 120.200 0.155 0.000 2.212 451 E HA 0.467 4.790 4.350 -0.046 0.000 0.268 451 E C -0.922 175.781 176.600 0.172 0.000 0.902 451 E CA -0.681 55.799 56.400 0.134 0.000 0.779 451 E CB 2.905 32.654 29.700 0.080 0.000 1.172 451 E HN 0.715 nan 8.360 nan 0.000 0.409 452 E N 2.616 122.894 120.200 0.130 0.000 2.109 452 E HA 0.090 4.412 4.350 -0.046 0.000 0.278 452 E C -1.079 175.456 176.600 -0.110 0.000 0.954 452 E CA -0.321 56.082 56.400 0.004 0.000 0.779 452 E CB 0.974 30.738 29.700 0.105 0.000 1.093 452 E HN 0.404 nan 8.360 nan 0.000 0.401 453 E N 4.271 124.339 120.200 -0.219 0.000 2.134 453 E HA 0.166 4.488 4.350 -0.046 0.000 0.278 453 E C -1.200 175.283 176.600 -0.195 0.000 0.959 453 E CA -0.726 55.577 56.400 -0.161 0.000 0.783 453 E CB 0.888 30.511 29.700 -0.129 0.000 1.095 453 E HN 0.405 nan 8.360 nan 0.000 0.399 454 D N 2.777 123.105 120.400 -0.119 0.000 2.350 454 D HA 0.250 4.862 4.640 -0.046 0.000 0.245 454 D C -0.638 175.632 176.300 -0.050 0.000 1.036 454 D CA -0.533 53.406 54.000 -0.101 0.000 0.848 454 D CB 2.171 42.927 40.800 -0.074 0.000 1.307 454 D HN 0.161 nan 8.370 nan 0.000 0.469 455 V N 1.587 121.476 119.914 -0.042 0.000 2.686 455 V HA 0.255 4.348 4.120 -0.046 0.000 0.295 455 V C 0.249 176.350 176.094 0.012 0.000 1.055 455 V CA -0.298 62.003 62.300 0.002 0.000 1.050 455 V CB 1.521 33.328 31.823 -0.027 0.000 0.984 455 V HN 0.380 nan 8.190 nan 0.000 0.482 456 V N 6.468 126.415 119.914 0.055 0.000 2.487 456 V HA 0.621 4.713 4.120 -0.046 0.000 0.298 456 V C -0.151 175.993 176.094 0.084 0.000 1.028 456 V CA -0.828 61.500 62.300 0.047 0.000 0.860 456 V CB 1.712 33.556 31.823 0.035 0.000 0.991 456 V HN 0.894 nan 8.190 nan 0.000 0.427 457 R N 4.726 125.259 120.500 0.054 0.000 2.404 457 R HA 0.558 4.871 4.340 -0.046 0.000 0.291 457 R C -0.654 175.683 176.300 0.061 0.000 1.025 457 R CA -0.498 55.642 56.100 0.067 0.000 0.991 457 R CB 1.367 31.682 30.300 0.025 0.000 1.053 457 R HN 0.777 nan 8.270 nan 0.000 0.479 458 Q N 0.857 120.703 119.800 0.076 0.000 2.309 458 Q HA 0.237 4.550 4.340 -0.046 0.000 0.264 458 Q C -0.388 175.636 176.000 0.039 0.000 1.008 458 Q CA -0.780 55.054 55.803 0.050 0.000 0.853 458 Q CB 2.346 31.113 28.738 0.048 0.000 1.314 458 Q HN 0.621 nan 8.270 nan 0.000 0.448 459 T N -0.989 113.580 114.554 0.026 0.000 2.897 459 T HA 0.368 4.690 4.350 -0.046 0.000 0.294 459 T C 0.187 174.898 174.700 0.018 0.000 1.004 459 T CA -0.726 61.386 62.100 0.020 0.000 1.106 459 T CB 0.714 69.590 68.868 0.014 0.000 0.949 459 T HN 0.591 nan 8.240 nan 0.000 0.520 460 M N 2.721 122.331 119.600 0.017 0.000 2.228 460 M HA 0.490 4.943 4.480 -0.046 0.000 0.351 460 M C 0.435 176.741 176.300 0.010 0.000 1.233 460 M CA 0.765 56.074 55.300 0.015 0.000 1.129 460 M CB -0.402 32.206 32.600 0.014 0.000 1.604 460 M HN 1.143 nan 8.290 nan 0.000 0.457 461 G N 4.099 112.904 108.800 0.008 0.000 2.399 461 G HA2 0.186 4.119 3.960 -0.046 0.000 0.256 461 G HA3 0.186 4.119 3.960 -0.046 0.000 0.256 461 G C -2.837 172.065 174.900 0.004 0.000 1.236 461 G CA -0.323 44.781 45.100 0.006 0.000 0.914 461 G HN 0.417 nan 8.290 nan 0.000 0.482 462 P HA 0.040 nan 4.420 nan 0.000 0.213 462 P C 1.434 178.734 177.300 -0.000 0.000 1.170 462 P CA 1.747 64.847 63.100 0.001 0.000 0.898 462 P CB -0.400 31.300 31.700 0.001 0.000 0.787 463 G N 1.866 110.666 108.800 -0.000 0.000 2.624 463 G HA2 -0.061 3.872 3.960 -0.046 0.000 0.292 463 G HA3 -0.061 3.872 3.960 -0.046 0.000 0.292 463 G C 0.105 175.002 174.900 -0.004 0.000 0.777 463 G CA -0.189 44.910 45.100 -0.002 0.000 1.883 463 G HN 0.258 nan 8.290 nan 0.000 0.505 464 N N 0.939 119.635 118.700 -0.006 0.000 2.614 464 N HA -0.138 4.574 4.740 -0.046 0.000 0.276 464 N C -0.505 175.001 175.510 -0.006 0.000 1.119 464 N CA 1.275 54.320 53.050 -0.009 0.000 0.742 464 N CB -0.207 38.271 38.487 -0.015 0.000 0.900 464 N HN 0.593 nan 8.380 nan 0.000 0.549 465 E N 0.582 120.781 120.200 -0.002 0.000 2.321 465 E HA 0.312 4.635 4.350 -0.046 0.000 0.278 465 E C 0.450 177.053 176.600 0.005 0.000 0.902 465 E CA -0.428 55.974 56.400 0.003 0.000 0.758 465 E CB 1.433 31.137 29.700 0.007 0.000 1.213 465 E HN 0.303 nan 8.360 nan 0.000 0.426 466 R N 0.302 120.807 120.500 0.008 0.000 2.541 466 R HA 0.232 4.544 4.340 -0.046 0.000 0.332 466 R C 0.731 177.041 176.300 0.017 0.000 0.951 466 R CA 0.352 56.458 56.100 0.010 0.000 1.136 466 R CB 1.188 31.494 30.300 0.008 0.000 1.449 466 R HN 0.765 nan 8.270 nan 0.000 0.531 467 G N 2.429 111.241 108.800 0.020 0.000 2.176 467 G HA2 -0.356 3.576 3.960 -0.046 0.000 0.252 467 G HA3 -0.356 3.576 3.960 -0.046 0.000 0.252 467 G C 0.282 175.210 174.900 0.047 0.000 1.024 467 G CA 0.884 46.002 45.100 0.030 0.000 0.755 467 G HN 0.641 nan 8.290 nan 0.000 0.507 468 N N -0.812 117.917 118.700 0.049 0.000 2.348 468 N HA 0.540 5.253 4.740 -0.046 0.000 0.183 468 N C 1.264 176.841 175.510 0.112 0.000 1.094 468 N CA 0.666 53.763 53.050 0.079 0.000 0.885 468 N CB 0.302 38.821 38.487 0.053 0.000 1.065 468 N HN 0.881 nan 8.380 nan 0.000 0.472 469 A N 0.659 123.509 122.820 0.050 0.000 2.483 469 A HA 0.435 4.728 4.320 -0.046 0.000 0.238 469 A C -0.541 177.114 177.584 0.119 0.000 1.070 469 A CA -0.129 51.906 52.037 -0.004 0.000 0.770 469 A CB -0.340 18.640 19.000 -0.034 0.000 1.008 469 A HN 0.503 nan 8.150 nan 0.000 0.497 470 F N -0.117 119.828 119.950 -0.008 0.000 2.641 470 F HA 0.767 5.266 4.527 -0.046 0.000 0.308 470 F C -0.289 175.505 175.800 -0.011 0.000 1.105 470 F CA -0.503 57.492 58.000 -0.010 0.000 0.964 470 F CB 0.881 39.875 39.000 -0.011 0.000 1.294 470 F HN 0.558 nan 8.300 nan 0.000 0.442 471 S N 0.890 116.691 115.700 0.168 0.000 3.137 471 S HA 0.922 5.364 4.470 -0.046 0.000 0.292 471 S C -1.424 173.250 174.600 0.124 0.000 1.041 471 S CA -0.883 57.353 58.200 0.060 0.000 0.956 471 S CB 1.328 64.536 63.200 0.012 0.000 1.360 471 S HN 0.970 nan 8.310 nan 0.000 0.690 472 R N 0.570 121.104 120.500 0.056 0.000 2.604 472 R HA 0.625 4.938 4.340 -0.046 0.000 0.270 472 R C -1.575 174.733 176.300 0.013 0.000 1.052 472 R CA -0.966 55.158 56.100 0.040 0.000 0.902 472 R CB 1.291 31.613 30.300 0.036 0.000 1.233 472 R HN 0.453 nan 8.270 nan 0.000 0.455 473 K N 1.750 122.151 120.400 0.001 0.000 2.318 473 K HA 0.548 4.841 4.320 -0.046 0.000 0.249 473 K C -1.000 175.593 176.600 -0.013 0.000 0.942 473 K CA -1.055 55.230 56.287 -0.003 0.000 0.808 473 K CB 1.716 34.214 32.500 -0.002 0.000 1.189 473 K HN 0.702 nan 8.250 nan 0.000 0.428 474 R N 1.618 122.116 120.500 -0.003 0.000 2.502 474 R HA 0.214 4.527 4.340 -0.046 0.000 0.298 474 R C -1.118 175.191 176.300 0.015 0.000 1.018 474 R CA -0.732 55.369 56.100 0.001 0.000 0.899 474 R CB 2.028 32.331 30.300 0.006 0.000 1.181 474 R HN 0.757 nan 8.270 nan 0.000 0.444 475 T N -0.783 113.786 114.554 0.024 0.000 2.797 475 T HA 0.443 4.765 4.350 -0.046 0.000 0.279 475 T C 0.166 174.901 174.700 0.058 0.000 0.991 475 T CA -0.661 61.461 62.100 0.037 0.000 0.979 475 T CB 1.430 70.320 68.868 0.037 0.000 0.943 475 T HN 0.124 nan 8.240 nan 0.000 0.444 476 V N 4.926 124.873 119.914 0.055 0.000 2.583 476 V HA 0.300 4.393 4.120 -0.046 0.000 0.287 476 V C 0.514 176.650 176.094 0.071 0.000 1.051 476 V CA -0.811 61.528 62.300 0.065 0.000 1.010 476 V CB 0.783 32.638 31.823 0.054 0.000 0.988 476 V HN 0.816 nan 8.190 nan 0.000 0.478 477 L N 5.136 126.410 121.223 0.085 0.000 2.261 477 L HA 0.276 4.588 4.340 -0.046 0.000 0.289 477 L C 1.443 178.355 176.870 0.071 0.000 1.059 477 L CA -0.108 54.780 54.840 0.081 0.000 0.816 477 L CB 1.076 43.191 42.059 0.094 0.000 1.191 477 L HN 0.947 nan 8.230 nan 0.000 0.431 478 T N -0.183 114.407 114.554 0.060 0.000 3.033 478 T HA 0.167 4.490 4.350 -0.046 0.000 0.248 478 T C 0.961 175.696 174.700 0.058 0.000 1.040 478 T CA 0.036 62.170 62.100 0.056 0.000 1.133 478 T CB 0.312 69.208 68.868 0.047 0.000 0.895 478 T HN 0.436 nan 8.240 nan 0.000 0.465 479 R N 0.516 121.051 120.500 0.057 0.000 2.807 479 R HA 0.468 4.781 4.340 -0.046 0.000 0.276 479 R C 0.504 176.845 176.300 0.069 0.000 0.979 479 R CA -0.691 55.445 56.100 0.060 0.000 0.928 479 R CB 1.702 32.031 30.300 0.049 0.000 1.191 479 R HN 0.131 nan 8.270 nan 0.000 0.471 480 E N 0.647 120.896 120.200 0.082 0.000 2.130 480 E HA -0.225 4.098 4.350 -0.046 0.000 0.196 480 E C 1.551 178.202 176.600 0.085 0.000 0.998 480 E CA 2.178 58.639 56.400 0.102 0.000 0.806 480 E CB 0.076 29.848 29.700 0.120 0.000 0.738 480 E HN 0.618 nan 8.360 nan 0.000 0.459 481 S N 0.942 116.681 115.700 0.063 0.000 2.442 481 S HA -0.180 4.263 4.470 -0.046 0.000 0.236 481 S C 1.586 176.198 174.600 0.019 0.000 1.007 481 S CA 1.323 59.549 58.200 0.043 0.000 0.965 481 S CB -0.302 62.920 63.200 0.037 0.000 0.773 481 S HN 0.450 nan 8.310 nan 0.000 0.504 482 E N 0.448 120.663 120.200 0.025 0.000 2.501 482 E HA 0.508 4.831 4.350 -0.046 0.000 0.200 482 E C 0.942 177.550 176.600 0.012 0.000 1.016 482 E CA 0.217 56.626 56.400 0.014 0.000 0.921 482 E CB 0.266 29.983 29.700 0.027 0.000 1.034 482 E HN 0.505 nan 8.360 nan 0.000 0.468 483 A N 1.084 123.913 122.820 0.015 0.000 2.462 483 A HA 0.288 4.580 4.320 -0.046 0.000 0.261 483 A C 0.304 177.845 177.584 -0.071 0.000 1.323 483 A CA -0.263 51.783 52.037 0.015 0.000 0.913 483 A CB 0.187 19.233 19.000 0.077 0.000 1.028 483 A HN 0.116 nan 8.150 nan 0.000 0.511 484 V N 2.873 122.681 119.914 -0.178 0.000 2.277 484 V HA 0.337 4.430 4.120 -0.046 0.000 0.269 484 V C -0.383 175.511 176.094 -0.334 0.000 1.036 484 V CA -0.721 61.299 62.300 -0.467 0.000 0.821 484 V CB 0.271 31.728 31.823 -0.610 0.000 1.052 484 V HN 0.438 nan 8.190 nan 0.000 0.462 485 R N 3.032 123.357 120.500 -0.293 0.000 2.668 485 R HA 0.705 5.018 4.340 -0.046 0.000 0.279 485 R C -0.304 175.971 176.300 -0.042 0.000 0.976 485 R CA -0.660 55.389 56.100 -0.085 0.000 0.978 485 R CB 1.640 31.983 30.300 0.070 0.000 1.133 485 R HN 0.629 nan 8.270 nan 0.000 0.484 486 E N 0.349 120.617 120.200 0.114 0.000 2.227 486 E HA 0.565 4.888 4.350 -0.046 0.000 0.268 486 E C -0.590 176.203 176.600 0.322 0.000 0.907 486 E CA -0.910 55.580 56.400 0.150 0.000 0.786 486 E CB 2.275 32.020 29.700 0.074 0.000 1.191 486 E HN 0.646 nan 8.360 nan 0.000 0.411 487 A N 1.659 124.678 122.820 0.331 0.000 2.310 487 A HA 0.268 4.560 4.320 -0.046 0.000 0.260 487 A C -0.192 177.476 177.584 0.140 0.000 1.112 487 A CA 0.087 52.322 52.037 0.330 0.000 0.804 487 A CB 0.375 19.571 19.000 0.327 0.000 1.081 487 A HN 0.617 nan 8.150 nan 0.000 0.499 488 D N -1.153 119.277 120.400 0.051 0.000 2.474 488 D HA 0.372 4.985 4.640 -0.046 0.000 0.234 488 D C 0.464 176.753 176.300 -0.019 0.000 1.323 488 D CA 0.293 54.298 54.000 0.010 0.000 0.915 488 D CB 0.591 41.381 40.800 -0.017 0.000 1.487 488 D HN 0.491 nan 8.370 nan 0.000 0.524 489 A N 2.859 125.686 122.820 0.012 0.000 2.067 489 A HA -0.123 4.170 4.320 -0.046 0.000 0.219 489 A C 2.007 179.582 177.584 -0.016 0.000 1.158 489 A CA 0.962 53.002 52.037 0.005 0.000 0.661 489 A CB -0.057 18.962 19.000 0.032 0.000 0.801 489 A HN 0.493 nan 8.150 nan 0.000 0.452 490 R N -0.439 120.052 120.500 -0.016 0.000 2.081 490 R HA -0.086 4.227 4.340 -0.046 0.000 0.235 490 R C 1.901 178.175 176.300 -0.043 0.000 1.131 490 R CA 1.748 57.833 56.100 -0.026 0.000 0.960 490 R CB -0.590 29.699 30.300 -0.019 0.000 0.856 490 R HN 0.652 nan 8.270 nan 0.000 0.436 491 T N -2.656 111.869 114.554 -0.049 0.000 3.163 491 T HA 0.217 4.539 4.350 -0.046 0.000 0.252 491 T C 1.137 175.790 174.700 -0.080 0.000 1.056 491 T CA 0.256 62.319 62.100 -0.061 0.000 0.947 491 T CB 0.675 69.509 68.868 -0.057 0.000 1.016 491 T HN 0.401 nan 8.240 nan 0.000 0.554 492 G N 2.292 111.046 108.800 -0.077 0.000 2.225 492 G HA2 -0.358 3.575 3.960 -0.046 0.000 0.267 492 G HA3 -0.358 3.575 3.960 -0.046 0.000 0.267 492 G C 0.103 174.915 174.900 -0.146 0.000 1.024 492 G CA 0.215 45.267 45.100 -0.081 0.000 0.784 492 G HN 0.906 nan 8.290 nan 0.000 0.507 493 R N 0.826 121.202 120.500 -0.206 0.000 2.504 493 R HA 0.341 4.653 4.340 -0.046 0.000 0.291 493 R C 0.880 176.810 176.300 -0.617 0.000 0.974 493 R CA 1.290 57.149 56.100 -0.401 0.000 1.077 493 R CB 0.054 30.100 30.300 -0.422 0.000 0.926 493 R HN 0.495 nan 8.270 nan 0.000 0.407 494 T N 1.004 115.124 114.554 -0.723 0.000 2.804 494 T HA 0.559 4.882 4.350 -0.046 0.000 0.290 494 T C -0.981 173.230 174.700 -0.816 0.000 1.099 494 T CA -0.982 60.693 62.100 -0.708 0.000 1.011 494 T CB 1.291 69.894 68.868 -0.442 0.000 1.291 494 T HN 0.560 nan 8.240 nan 0.000 0.523 495 W N 0.415 121.653 121.300 -0.104 0.000 2.839 495 W HA 0.606 5.239 4.660 -0.046 0.000 0.334 495 W C -1.464 175.026 176.519 -0.048 0.000 1.064 495 W CA -1.081 56.230 57.345 -0.057 0.000 1.236 495 W CB 1.769 31.203 29.460 -0.044 0.000 1.405 495 W HN 0.530 nan 8.180 nan 0.000 0.478 496 I N 3.666 124.338 120.570 0.170 0.000 2.354 496 I HA 0.285 4.427 4.170 -0.046 0.000 0.292 496 I C -0.234 175.966 176.117 0.139 0.000 0.989 496 I CA -0.631 60.742 61.300 0.121 0.000 1.188 496 I CB 1.251 39.292 38.000 0.069 0.000 1.342 496 I HN 0.072 nan 8.210 nan 0.000 0.457 497 I N 6.239 126.892 120.570 0.138 0.000 2.312 497 I HA 0.384 4.527 4.170 -0.046 0.000 0.290 497 I C 0.250 176.439 176.117 0.120 0.000 1.008 497 I CA 0.217 61.586 61.300 0.115 0.000 1.226 497 I CB 1.046 39.100 38.000 0.090 0.000 1.371 497 I HN 0.612 nan 8.210 nan 0.000 0.468 498 S N 4.072 119.832 115.700 0.100 0.000 2.677 498 S HA 0.607 5.050 4.470 -0.046 0.000 0.304 498 S C -0.682 173.965 174.600 0.077 0.000 1.108 498 S CA -0.915 57.345 58.200 0.100 0.000 0.944 498 S CB 1.978 65.228 63.200 0.082 0.000 1.127 498 S HN 0.488 nan 8.310 nan 0.000 0.511 499 N N 1.025 119.768 118.700 0.071 0.000 2.518 499 N HA 0.447 5.160 4.740 -0.046 0.000 0.254 499 N C -2.381 173.148 175.510 0.032 0.000 0.979 499 N CA -2.246 50.832 53.050 0.045 0.000 0.930 499 N CB 1.544 40.052 38.487 0.035 0.000 1.152 499 N HN 0.246 nan 8.380 nan 0.000 0.505 500 P HA -0.010 nan 4.420 nan 0.000 0.222 500 P C -0.078 177.230 177.300 0.014 0.000 1.147 500 P CA 1.143 64.258 63.100 0.024 0.000 0.790 500 P CB 0.384 32.102 31.700 0.029 0.000 0.780 501 E N -1.312 118.895 120.200 0.012 0.000 2.451 501 E HA 0.179 4.502 4.350 -0.046 0.000 0.194 501 E C -0.018 176.575 176.600 -0.010 0.000 1.027 501 E CA 0.001 56.403 56.400 0.004 0.000 0.914 501 E CB 0.229 29.936 29.700 0.012 0.000 1.054 501 E HN -0.046 nan 8.360 nan 0.000 0.461 502 S N 1.015 116.703 115.700 -0.020 0.000 2.776 502 S HA 0.336 4.778 4.470 -0.046 0.000 0.284 502 S C -1.067 173.498 174.600 -0.058 0.000 1.160 502 S CA -0.754 57.416 58.200 -0.049 0.000 1.051 502 S CB 0.548 63.709 63.200 -0.066 0.000 1.037 502 S HN -0.021 nan 8.310 nan 0.000 0.485 503 K N 2.622 122.985 120.400 -0.062 0.000 2.221 503 K HA 0.523 4.815 4.320 -0.046 0.000 0.243 503 K C -0.075 176.476 176.600 -0.082 0.000 0.968 503 K CA -1.065 55.187 56.287 -0.059 0.000 0.846 503 K CB 0.923 33.402 32.500 -0.035 0.000 1.141 503 K HN 0.726 nan 8.250 nan 0.000 0.434 504 N N 0.219 118.875 118.700 -0.073 0.000 2.476 504 N HA 0.077 4.789 4.740 -0.046 0.000 0.287 504 N C 0.564 176.046 175.510 -0.046 0.000 1.262 504 N CA -0.577 52.427 53.050 -0.076 0.000 0.980 504 N CB 0.253 38.701 38.487 -0.065 0.000 1.163 504 N HN 0.586 nan 8.380 nan 0.000 0.592 505 R N -0.759 119.720 120.500 -0.035 0.000 2.293 505 R HA 0.053 4.366 4.340 -0.046 0.000 0.219 505 R C 0.545 176.835 176.300 -0.017 0.000 1.091 505 R CA 1.031 57.117 56.100 -0.023 0.000 1.004 505 R CB -0.671 29.619 30.300 -0.016 0.000 0.865 505 R HN 0.541 nan 8.270 nan 0.000 0.469 506 L N 0.828 122.041 121.223 -0.016 0.000 2.628 506 L HA 0.148 4.460 4.340 -0.046 0.000 0.229 506 L C 0.357 177.219 176.870 -0.013 0.000 1.137 506 L CA -0.092 54.741 54.840 -0.012 0.000 0.909 506 L CB -0.479 41.574 42.059 -0.009 0.000 1.137 506 L HN 0.439 nan 8.230 nan 0.000 0.470 507 N N 1.634 120.323 118.700 -0.017 0.000 2.776 507 N HA -0.170 4.542 4.740 -0.046 0.000 0.249 507 N C -0.290 175.213 175.510 -0.013 0.000 1.111 507 N CA 0.428 53.468 53.050 -0.016 0.000 0.711 507 N CB -0.222 38.257 38.487 -0.012 0.000 1.065 507 N HN 0.543 nan 8.380 nan 0.000 0.556 508 E N 0.152 120.343 120.200 -0.014 0.000 2.207 508 E HA 0.418 4.740 4.350 -0.046 0.000 0.270 508 E C -2.597 173.997 176.600 -0.010 0.000 0.927 508 E CA -1.933 54.462 56.400 -0.008 0.000 0.799 508 E CB 1.348 31.046 29.700 -0.003 0.000 1.172 508 E HN 0.104 nan 8.360 nan 0.000 0.404 509 P HA -0.062 nan 4.420 nan 0.000 0.267 509 P C -0.416 176.894 177.300 0.016 0.000 1.205 509 P CA -0.152 62.951 63.100 0.006 0.000 0.765 509 P CB 0.319 32.032 31.700 0.021 0.000 0.828 510 V N 1.856 121.772 119.914 0.004 0.000 2.715 510 V HA 0.748 4.840 4.120 -0.046 0.000 0.299 510 V C 0.546 176.737 176.094 0.162 0.000 1.054 510 V CA 0.207 62.531 62.300 0.040 0.000 1.077 510 V CB 0.337 32.103 31.823 -0.094 0.000 0.972 510 V HN 0.720 nan 8.190 nan 0.000 0.484 511 G N 2.593 111.531 108.800 0.231 0.000 2.645 511 G HA2 0.619 4.552 3.960 -0.046 0.000 0.292 511 G HA3 0.619 4.552 3.960 -0.046 0.000 0.292 511 G C -2.317 172.712 174.900 0.213 0.000 1.415 511 G CA -0.756 44.480 45.100 0.226 0.000 0.785 511 G HN 0.721 nan 8.290 nan 0.000 0.483 512 Y N 0.005 120.318 120.300 0.022 0.000 2.421 512 Y HA 0.568 5.090 4.550 -0.046 0.000 0.339 512 Y C 0.134 176.057 175.900 0.039 0.000 0.996 512 Y CA -0.786 57.310 58.100 -0.007 0.000 1.046 512 Y CB 2.670 41.086 38.460 -0.073 0.000 1.226 512 Y HN 0.504 nan 8.280 nan 0.000 0.445 513 K N 4.156 124.611 120.400 0.091 0.000 2.185 513 K HA 0.523 4.815 4.320 -0.046 0.000 0.269 513 K C -1.554 175.102 176.600 0.093 0.000 0.987 513 K CA -0.834 55.483 56.287 0.050 0.000 0.865 513 K CB 0.924 33.400 32.500 -0.039 0.000 1.090 513 K HN 0.623 nan 8.250 nan 0.000 0.450 514 L N 5.011 126.275 121.223 0.068 0.000 2.265 514 L HA 0.292 4.605 4.340 -0.046 0.000 0.288 514 L C -1.388 175.490 176.870 0.014 0.000 1.058 514 L CA 0.026 54.942 54.840 0.128 0.000 0.809 514 L CB 0.529 42.671 42.059 0.137 0.000 1.179 514 L HN 0.654 nan 8.230 nan 0.000 0.429 515 H N 4.471 123.656 119.070 0.192 0.000 2.541 515 H HA 0.716 5.245 4.556 -0.046 0.000 0.316 515 H C -0.099 175.377 175.328 0.248 0.000 1.043 515 H CA 0.033 56.191 56.048 0.183 0.000 1.232 515 H CB 1.305 31.159 29.762 0.154 0.000 1.406 515 H HN 0.874 nan 8.280 nan 0.000 0.469 516 A N 2.349 125.380 122.820 0.351 0.000 2.282 516 A HA 0.217 4.510 4.320 -0.046 0.000 0.319 516 A C 0.456 178.327 177.584 0.479 0.000 1.121 516 A CA -0.558 51.735 52.037 0.427 0.000 0.836 516 A CB 0.533 19.835 19.000 0.504 0.000 1.146 516 A HN 1.025 nan 8.150 nan 0.000 0.494 517 H N 0.844 120.099 119.070 0.309 0.000 2.529 517 H HA -0.035 4.494 4.556 -0.046 0.000 0.277 517 H C -0.092 175.352 175.328 0.194 0.000 0.999 517 H CA 0.488 56.666 56.048 0.217 0.000 1.256 517 H CB 0.194 30.075 29.762 0.198 0.000 1.402 517 H HN 0.773 nan 8.280 nan 0.000 0.566 518 N N 1.672 120.590 118.700 0.363 0.000 2.780 518 N HA -0.154 4.558 4.740 -0.046 0.000 0.248 518 N C -0.743 174.891 175.510 0.206 0.000 1.102 518 N CA 0.481 53.688 53.050 0.263 0.000 0.697 518 N CB -0.990 37.611 38.487 0.190 0.000 1.028 518 N HN 0.491 nan 8.380 nan 0.000 0.554 519 Q N -0.064 119.873 119.800 0.228 0.000 2.312 519 Q HA 0.419 4.732 4.340 -0.046 0.000 0.236 519 Q C -1.811 174.267 176.000 0.129 0.000 0.965 519 Q CA -1.119 54.783 55.803 0.166 0.000 0.894 519 Q CB 0.300 29.148 28.738 0.183 0.000 1.225 519 Q HN 0.129 nan 8.270 nan 0.000 0.478 520 P HA 0.008 nan 4.420 nan 0.000 0.269 520 P C -0.199 177.123 177.300 0.036 0.000 1.215 520 P CA 0.175 63.309 63.100 0.056 0.000 0.780 520 P CB 0.472 32.192 31.700 0.032 0.000 0.898 521 T N -0.210 114.359 114.554 0.026 0.000 2.891 521 T HA 0.303 4.625 4.350 -0.046 0.000 0.294 521 T C 0.303 174.971 174.700 -0.053 0.000 1.065 521 T CA -0.897 61.199 62.100 -0.007 0.000 0.936 521 T CB -0.010 68.865 68.868 0.012 0.000 1.415 521 T HN 0.203 nan 8.240 nan 0.000 0.572 522 L N 1.033 122.200 121.223 -0.094 0.000 2.628 522 L HA 0.113 4.426 4.340 -0.046 0.000 0.274 522 L C 0.824 177.654 176.870 -0.066 0.000 1.209 522 L CA 0.333 55.103 54.840 -0.116 0.000 0.930 522 L CB -0.383 41.584 42.059 -0.154 0.000 1.183 522 L HN 0.617 nan 8.230 nan 0.000 0.492 523 L N 5.113 126.299 121.223 -0.062 0.000 2.446 523 L HA 0.215 4.527 4.340 -0.046 0.000 0.219 523 L C 1.435 178.300 176.870 -0.008 0.000 1.116 523 L CA 0.188 55.014 54.840 -0.024 0.000 0.844 523 L CB -0.510 41.540 42.059 -0.016 0.000 0.970 523 L HN 0.836 nan 8.230 nan 0.000 0.457 524 A N 0.626 123.433 122.820 -0.021 0.000 2.547 524 A HA -0.098 4.194 4.320 -0.046 0.000 0.233 524 A C 0.314 177.902 177.584 0.008 0.000 1.067 524 A CA -0.081 51.957 52.037 0.001 0.000 0.763 524 A CB -0.049 18.950 19.000 -0.002 0.000 1.007 524 A HN 0.279 nan 8.150 nan 0.000 0.506 525 D N 1.447 121.860 120.400 0.022 0.000 2.472 525 D HA 0.049 4.662 4.640 -0.046 0.000 0.237 525 D C -1.563 174.745 176.300 0.013 0.000 1.141 525 D CA -0.946 53.066 54.000 0.021 0.000 0.875 525 D CB 0.795 41.612 40.800 0.029 0.000 1.192 525 D HN 0.165 nan 8.370 nan 0.000 0.450 526 P HA 0.027 nan 4.420 nan 0.000 0.231 526 P C 0.854 178.157 177.300 0.004 0.000 1.158 526 P CA 0.597 63.699 63.100 0.003 0.000 0.763 526 P CB 0.225 31.927 31.700 0.004 0.000 0.805 527 G N -0.942 107.863 108.800 0.009 0.000 2.986 527 G HA2 0.012 3.944 3.960 -0.046 0.000 0.213 527 G HA3 0.012 3.944 3.960 -0.046 0.000 0.213 527 G C 0.536 175.443 174.900 0.012 0.000 1.156 527 G CA 0.091 45.196 45.100 0.008 0.000 0.763 527 G HN 0.366 nan 8.290 nan 0.000 0.547 528 S N -0.238 115.475 115.700 0.021 0.000 2.596 528 S HA 0.247 4.689 4.470 -0.046 0.000 0.260 528 S C 1.618 176.227 174.600 0.015 0.000 1.336 528 S CA 0.533 58.756 58.200 0.038 0.000 0.993 528 S CB 1.525 64.760 63.200 0.058 0.000 0.923 528 S HN 0.082 nan 8.310 nan 0.000 0.567 529 S N 0.226 115.938 115.700 0.021 0.000 2.368 529 S HA -0.119 4.324 4.470 -0.046 0.000 0.224 529 S C 1.671 176.251 174.600 -0.034 0.000 1.029 529 S CA 0.993 59.154 58.200 -0.064 0.000 0.988 529 S CB -0.807 62.266 63.200 -0.212 0.000 0.838 529 S HN 0.695 nan 8.310 nan 0.000 0.462 530 I N 2.049 122.645 120.570 0.043 0.000 2.394 530 I HA 0.076 4.218 4.170 -0.046 0.000 0.251 530 I C 2.231 178.364 176.117 0.026 0.000 1.136 530 I CA 1.226 62.572 61.300 0.077 0.000 1.425 530 I CB -0.826 37.229 38.000 0.092 0.000 1.079 530 I HN 0.311 nan 8.210 nan 0.000 0.425 531 A N 0.206 123.025 122.820 -0.002 0.000 2.015 531 A HA -0.132 4.161 4.320 -0.046 0.000 0.219 531 A C 2.418 179.984 177.584 -0.030 0.000 1.163 531 A CA 1.316 53.337 52.037 -0.028 0.000 0.646 531 A CB -0.498 18.492 19.000 -0.017 0.000 0.806 531 A HN 0.457 nan 8.150 nan 0.000 0.448 532 R N -0.896 119.584 120.500 -0.033 0.000 2.066 532 R HA 0.071 4.384 4.340 -0.046 0.000 0.224 532 R C 2.286 178.543 176.300 -0.073 0.000 1.122 532 R CA 1.042 57.106 56.100 -0.059 0.000 0.974 532 R CB -0.203 30.049 30.300 -0.080 0.000 0.871 532 R HN 0.409 nan 8.270 nan 0.000 0.435 533 R N 0.222 120.694 120.500 -0.047 0.000 2.148 533 R HA 0.064 4.377 4.340 -0.046 0.000 0.223 533 R C 0.757 177.141 176.300 0.140 0.000 1.088 533 R CA 1.078 57.155 56.100 -0.038 0.000 0.985 533 R CB 0.267 30.541 30.300 -0.042 0.000 0.880 533 R HN 0.069 nan 8.270 nan 0.000 0.451 534 A N 0.057 122.967 122.820 0.151 0.000 2.985 534 A HA 0.509 4.801 4.320 -0.046 0.000 0.303 534 A C 1.046 178.510 177.584 -0.200 0.000 1.048 534 A CA -0.138 51.957 52.037 0.096 0.000 1.016 534 A CB 0.379 19.361 19.000 -0.030 0.000 1.118 534 A HN 0.221 nan 8.150 nan 0.000 0.529 535 A N 0.284 123.063 122.820 -0.069 0.000 1.978 535 A HA -0.046 4.246 4.320 -0.046 0.000 0.220 535 A C 1.768 179.342 177.584 -0.018 0.000 1.170 535 A CA 1.803 53.812 52.037 -0.047 0.000 0.636 535 A CB -0.944 18.043 19.000 -0.023 0.000 0.810 535 A HN 1.408 nan 8.150 nan 0.000 0.448 536 F N -0.283 119.544 119.950 -0.205 0.000 2.250 536 F HA 0.051 4.551 4.527 -0.046 0.000 0.301 536 F C 2.020 177.892 175.800 0.121 0.000 1.077 536 F CA 0.793 58.596 58.000 -0.329 0.000 1.348 536 F CB -0.808 37.874 39.000 -0.529 0.000 1.040 536 F HN 0.148 nan 8.300 nan 0.000 0.509 537 A N 0.609 122.774 122.820 -1.090 0.000 2.168 537 A HA -0.031 4.262 4.320 -0.046 0.000 0.215 537 A C 2.133 179.581 177.584 -0.226 0.000 1.152 537 A CA 1.359 52.932 52.037 -0.773 0.000 0.716 537 A CB -1.469 16.933 19.000 -0.997 0.000 0.794 537 A HN 0.571 nan 8.150 nan 0.000 0.465 538 T N -3.245 111.272 114.554 -0.062 0.000 3.088 538 T HA 0.172 4.495 4.350 -0.046 0.000 0.259 538 T C 0.610 175.336 174.700 0.044 0.000 1.122 538 T CA 0.269 62.374 62.100 0.009 0.000 1.095 538 T CB 0.056 68.944 68.868 0.032 0.000 0.930 538 T HN 0.151 nan 8.240 nan 0.000 0.508 539 K N 0.987 121.467 120.400 0.134 0.000 2.477 539 K HA 0.384 4.677 4.320 -0.046 0.000 0.255 539 K C -0.503 176.166 176.600 0.115 0.000 0.952 539 K CA -0.501 55.782 56.287 -0.006 0.000 0.826 539 K CB 2.148 34.384 32.500 -0.441 0.000 1.331 539 K HN -0.046 nan 8.250 nan 0.000 0.437 540 D N 0.266 120.700 120.400 0.057 0.000 2.183 540 D HA -0.029 4.584 4.640 -0.046 0.000 0.203 540 D C -0.020 176.359 176.300 0.131 0.000 0.969 540 D CA 0.854 54.942 54.000 0.147 0.000 0.842 540 D CB 0.269 41.196 40.800 0.212 0.000 0.957 540 D HN 0.099 nan 8.370 nan 0.000 0.484 541 L N -0.430 120.728 121.223 -0.108 0.000 2.455 541 L HA 0.466 4.778 4.340 -0.046 0.000 0.264 541 L C -2.032 174.761 176.870 -0.128 0.000 0.968 541 L CA -0.590 54.153 54.840 -0.163 0.000 0.827 541 L CB 1.556 43.133 42.059 -0.804 0.000 1.317 541 L HN -0.116 nan 8.230 nan 0.000 0.407 542 W N 4.076 125.389 121.300 0.021 0.000 2.915 542 W HA 0.768 5.401 4.660 -0.046 0.000 0.337 542 W C -1.258 175.388 176.519 0.212 0.000 1.102 542 W CA -0.798 56.596 57.345 0.081 0.000 1.224 542 W CB 2.064 31.551 29.460 0.044 0.000 1.416 542 W HN 0.178 nan 8.180 nan 0.000 0.503 543 V N 2.669 122.816 119.914 0.388 0.000 2.531 543 V HA 0.733 4.825 4.120 -0.046 0.000 0.301 543 V C -0.108 176.196 176.094 0.349 0.000 1.034 543 V CA -0.801 61.700 62.300 0.334 0.000 0.865 543 V CB 1.530 33.454 31.823 0.168 0.000 0.995 543 V HN 0.588 nan 8.190 nan 0.000 0.424 544 T N 1.517 116.316 114.554 0.409 0.000 2.916 544 T HA 0.745 5.067 4.350 -0.046 0.000 0.292 544 T C -0.493 174.347 174.700 0.233 0.000 1.064 544 T CA -0.978 61.322 62.100 0.334 0.000 1.011 544 T CB 2.107 71.242 68.868 0.446 0.000 1.152 544 T HN 0.494 nan 8.240 nan 0.000 0.510 545 R N 0.920 121.518 120.500 0.164 0.000 2.298 545 R HA 0.342 4.654 4.340 -0.046 0.000 0.310 545 R C -0.776 175.593 176.300 0.114 0.000 1.068 545 R CA -0.927 55.251 56.100 0.131 0.000 0.957 545 R CB -0.679 29.675 30.300 0.090 0.000 1.003 545 R HN 0.767 nan 8.270 nan 0.000 0.454 546 Y N 3.243 123.558 120.300 0.026 0.000 2.788 546 Y HA 0.242 4.765 4.550 -0.046 0.000 0.341 546 Y C -0.625 175.245 175.900 -0.049 0.000 1.258 546 Y CA 1.183 59.273 58.100 -0.017 0.000 1.503 546 Y CB 0.471 38.914 38.460 -0.029 0.000 1.325 546 Y HN 0.771 nan 8.280 nan 0.000 0.614 547 A N 5.159 127.297 122.820 -1.136 0.000 2.540 547 A HA 0.244 4.537 4.320 -0.046 0.000 0.297 547 A C 0.090 177.027 177.584 -1.079 0.000 1.056 547 A CA -0.373 51.161 52.037 -0.838 0.000 0.700 547 A CB 0.819 19.552 19.000 -0.445 0.000 1.280 547 A HN 0.829 nan 8.150 nan 0.000 0.398 548 D N 1.140 121.155 120.400 -0.641 0.000 2.182 548 D HA -0.175 4.438 4.640 -0.046 0.000 0.201 548 D C 0.669 176.800 176.300 -0.282 0.000 0.986 548 D CA 1.904 55.696 54.000 -0.348 0.000 0.847 548 D CB 0.176 40.909 40.800 -0.111 0.000 0.942 548 D HN 0.785 nan 8.370 nan 0.000 0.467 549 D N 0.599 120.832 120.400 -0.278 0.000 2.350 549 D HA -0.069 4.544 4.640 -0.046 0.000 0.213 549 D C 0.275 176.404 176.300 -0.285 0.000 1.031 549 D CA 0.156 54.026 54.000 -0.217 0.000 0.861 549 D CB -0.402 40.316 40.800 -0.137 0.000 0.926 549 D HN 0.181 nan 8.370 nan 0.000 0.520 550 E N 0.969 120.911 120.200 -0.431 0.000 2.028 550 E HA 0.245 4.567 4.350 -0.046 0.000 0.275 550 E C 0.656 177.108 176.600 -0.246 0.000 1.171 550 E CA -0.225 55.832 56.400 -0.573 0.000 1.186 550 E CB 0.674 29.793 29.700 -0.969 0.000 1.256 550 E HN 0.184 nan 8.360 nan 0.000 0.474 551 R N 0.556 120.887 120.500 -0.282 0.000 2.156 551 R HA 0.071 4.384 4.340 -0.046 0.000 0.207 551 R C -0.034 175.965 176.300 -0.502 0.000 1.040 551 R CA 0.770 56.566 56.100 -0.506 0.000 1.013 551 R CB 0.423 30.163 30.300 -0.933 0.000 0.931 551 R HN 0.246 nan 8.270 nan 0.000 0.465 552 Y N -0.867 119.558 120.300 0.208 0.000 2.485 552 Y HA 0.312 4.835 4.550 -0.045 0.000 0.345 552 Y C -1.869 174.014 175.900 -0.027 0.000 0.998 552 Y CA -3.311 54.865 58.100 0.127 0.000 1.059 552 Y CB 1.152 39.598 38.460 -0.024 0.000 1.234 552 Y HN -0.186 nan 8.280 nan 0.000 0.461 553 P HA -0.116 nan 4.420 nan 0.000 0.220 553 P C 0.969 177.998 177.300 -0.452 0.000 1.148 553 P CA 1.959 64.697 63.100 -0.603 0.000 0.803 553 P CB 0.233 31.411 31.700 -0.870 0.000 0.782 554 T N -5.929 108.490 114.554 -0.225 0.000 2.990 554 T HA 0.522 4.845 4.350 -0.046 0.000 0.250 554 T C 0.914 175.543 174.700 -0.118 0.000 1.041 554 T CA 0.244 62.252 62.100 -0.153 0.000 1.010 554 T CB 0.055 68.876 68.868 -0.079 0.000 1.003 554 T HN 0.285 nan 8.240 nan 0.000 0.499 555 G N 0.899 109.695 108.800 -0.006 0.000 2.462 555 G HA2 -0.070 3.863 3.960 -0.046 0.000 0.685 555 G HA3 -0.070 3.863 3.960 -0.046 0.000 0.685 555 G C -0.459 174.473 174.900 0.054 0.000 1.295 555 G CA -0.062 45.077 45.100 0.065 0.000 0.941 555 G HN 0.063 nan 8.290 nan 0.000 0.554 556 D N -0.648 119.701 120.400 -0.086 0.000 2.149 556 D HA 0.029 4.641 4.640 -0.046 0.000 0.201 556 D C 0.580 176.398 176.300 -0.803 0.000 0.972 556 D CA 1.532 55.261 54.000 -0.451 0.000 0.835 556 D CB 0.056 40.384 40.800 -0.785 0.000 0.966 556 D HN 0.177 nan 8.370 nan 0.000 0.476 557 F N 0.493 120.366 119.950 -0.130 0.000 2.359 557 F HA 0.195 4.694 4.527 -0.046 0.000 0.369 557 F C 1.087 176.810 175.800 -0.129 0.000 1.084 557 F CA -0.658 57.212 58.000 -0.216 0.000 1.096 557 F CB 1.367 40.164 39.000 -0.337 0.000 1.335 557 F HN -0.359 nan 8.300 nan 0.000 0.457 558 V N 0.260 120.141 119.914 -0.054 0.000 2.346 558 V HA -0.173 3.920 4.120 -0.046 0.000 0.244 558 V C 1.213 177.213 176.094 -0.156 0.000 1.037 558 V CA 0.639 62.834 62.300 -0.175 0.000 1.029 558 V CB -0.530 31.096 31.823 -0.330 0.000 0.663 558 V HN 0.699 nan 8.190 nan 0.000 0.454 559 N N 1.623 120.265 118.700 -0.098 0.000 2.256 559 N HA -0.124 4.588 4.740 -0.046 0.000 0.277 559 N C 0.454 175.924 175.510 -0.067 0.000 1.362 559 N CA 0.781 53.782 53.050 -0.082 0.000 0.861 559 N CB -0.480 37.959 38.487 -0.079 0.000 1.136 559 N HN 0.512 nan 8.380 nan 0.000 0.492 560 Q N 0.084 119.846 119.800 -0.064 0.000 2.457 560 Q HA -0.314 3.998 4.340 -0.046 0.000 0.283 560 Q C -0.738 175.254 176.000 -0.013 0.000 1.234 560 Q CA 0.895 56.667 55.803 -0.051 0.000 0.877 560 Q CB -1.830 26.875 28.738 -0.055 0.000 1.250 560 Q HN 0.760 nan 8.270 nan 0.000 0.481 561 H N -0.406 118.567 119.070 -0.161 0.000 2.492 561 H HA 0.463 4.992 4.556 -0.046 0.000 0.345 561 H C 0.415 175.645 175.328 -0.162 0.000 1.136 561 H CA -0.200 55.761 56.048 -0.145 0.000 1.202 561 H CB 1.136 30.822 29.762 -0.127 0.000 1.524 561 H HN 0.295 nan 8.280 nan 0.000 0.506 562 S N 2.717 118.315 115.700 -0.169 0.000 2.606 562 S HA 0.272 4.714 4.470 -0.046 0.000 0.257 562 S C 0.803 175.101 174.600 -0.502 0.000 1.327 562 S CA -0.315 57.712 58.200 -0.288 0.000 0.984 562 S CB 1.044 64.154 63.200 -0.150 0.000 0.941 562 S HN 0.726 nan 8.310 nan 0.000 0.576 563 G N -1.672 106.940 108.800 -0.314 0.000 2.547 563 G HA2 0.541 4.474 3.960 -0.046 0.000 0.291 563 G HA3 0.541 4.474 3.960 -0.046 0.000 0.291 563 G C 0.931 175.680 174.900 -0.252 0.000 1.211 563 G CA -0.365 44.566 45.100 -0.281 0.000 0.950 563 G HN 1.897 nan 8.290 nan 0.000 0.504 564 G N -0.695 107.974 108.800 -0.219 0.000 2.420 564 G HA2 -0.048 3.885 3.960 -0.046 0.000 0.221 564 G HA3 -0.048 3.885 3.960 -0.046 0.000 0.221 564 G C 1.672 176.430 174.900 -0.237 0.000 1.117 564 G CA 1.077 46.062 45.100 -0.192 0.000 0.657 564 G HN 1.851 nan 8.290 nan 0.000 0.512 565 A N 1.212 123.892 122.820 -0.234 0.000 2.285 565 A HA 0.403 4.695 4.320 -0.046 0.000 0.214 565 A C 2.099 179.504 177.584 -0.298 0.000 1.188 565 A CA 2.254 54.192 52.037 -0.166 0.000 0.707 565 A CB -0.740 18.263 19.000 0.005 0.000 0.771 565 A HN 1.855 nan 8.150 nan 0.000 0.488 566 G N -1.208 107.309 108.800 -0.473 0.000 3.365 566 G HA2 0.342 4.274 3.960 -0.046 0.000 0.185 566 G HA3 0.342 4.274 3.960 -0.046 0.000 0.185 566 G C 1.081 175.101 174.900 -1.466 0.000 1.565 566 G CA 0.052 44.664 45.100 -0.813 0.000 0.984 566 G HN 0.165 nan 8.290 nan 0.000 0.604 567 L N 1.214 121.698 121.223 -1.232 0.000 2.013 567 L HA -0.084 4.229 4.340 -0.046 0.000 0.212 567 L C -0.033 176.450 176.870 -0.646 0.000 1.073 567 L CA 1.563 55.711 54.840 -1.153 0.000 0.753 567 L CB -1.044 40.117 42.059 -1.496 0.000 0.890 567 L HN 0.273 nan 8.230 nan 0.000 0.432 568 P HA -0.158 nan 4.420 nan 0.000 0.219 568 P C 1.713 178.954 177.300 -0.098 0.000 1.146 568 P CA 1.709 64.748 63.100 -0.102 0.000 0.808 568 P CB 0.007 31.665 31.700 -0.070 0.000 0.779 569 S N -2.827 112.742 115.700 -0.219 0.000 2.458 569 S HA -0.087 4.356 4.470 -0.046 0.000 0.223 569 S C 1.793 176.420 174.600 0.045 0.000 1.019 569 S CA 0.373 58.518 58.200 -0.091 0.000 0.937 569 S CB -1.254 61.887 63.200 -0.099 0.000 0.788 569 S HN -0.025 nan 8.310 nan 0.000 0.511 570 Y N 1.512 121.764 120.300 -0.081 0.000 2.133 570 Y HA 0.160 4.682 4.550 -0.046 0.000 0.287 570 Y C 2.304 178.200 175.900 -0.007 0.000 1.134 570 Y CA -0.446 57.615 58.100 -0.064 0.000 1.133 570 Y CB -1.309 37.076 38.460 -0.126 0.000 0.987 570 Y HN 0.238 nan 8.280 nan 0.000 0.502 571 I N 0.369 121.052 120.570 0.188 0.000 2.423 571 I HA -0.265 3.878 4.170 -0.046 0.000 0.254 571 I C 2.353 178.541 176.117 0.117 0.000 1.151 571 I CA 1.252 62.654 61.300 0.170 0.000 1.421 571 I CB -0.826 37.313 38.000 0.232 0.000 1.079 571 I HN 0.146 nan 8.210 nan 0.000 0.431 572 A N -0.751 122.125 122.820 0.092 0.000 2.070 572 A HA -0.224 4.068 4.320 -0.046 0.000 0.220 572 A C 2.132 179.752 177.584 0.061 0.000 1.159 572 A CA 1.203 53.279 52.037 0.065 0.000 0.656 572 A CB -0.556 18.471 19.000 0.046 0.000 0.800 572 A HN 0.571 nan 8.150 nan 0.000 0.453 573 Q N -1.127 118.716 119.800 0.072 0.000 2.437 573 Q HA -0.096 4.216 4.340 -0.046 0.000 0.210 573 Q C 0.071 176.103 176.000 0.054 0.000 0.972 573 Q CA 0.468 56.306 55.803 0.057 0.000 0.903 573 Q CB -0.101 28.671 28.738 0.056 0.000 0.967 573 Q HN 0.574 nan 8.270 nan 0.000 0.486 574 D N 0.999 121.438 120.400 0.064 0.000 2.686 574 D HA -0.175 4.437 4.640 -0.046 0.000 0.235 574 D C -0.829 175.505 176.300 0.057 0.000 1.160 574 D CA 0.631 54.667 54.000 0.060 0.000 0.645 574 D CB -0.555 40.274 40.800 0.047 0.000 1.039 574 D HN 0.244 nan 8.370 nan 0.000 0.423 575 R N 0.275 120.813 120.500 0.064 0.000 2.707 575 R HA 0.302 4.615 4.340 -0.046 0.000 0.270 575 R C 0.305 176.643 176.300 0.063 0.000 1.083 575 R CA -0.317 55.818 56.100 0.059 0.000 1.182 575 R CB 0.374 30.709 30.300 0.059 0.000 1.084 575 R HN 0.202 nan 8.270 nan 0.000 0.528 576 D N 1.172 121.606 120.400 0.057 0.000 2.312 576 D HA 0.099 4.712 4.640 -0.046 0.000 0.252 576 D C 0.500 176.841 176.300 0.069 0.000 1.150 576 D CA -0.233 53.802 54.000 0.058 0.000 0.870 576 D CB 0.593 41.423 40.800 0.049 0.000 1.153 576 D HN 0.533 nan 8.370 nan 0.000 0.457 577 I N -0.135 120.480 120.570 0.074 0.000 4.050 577 I HA 0.356 4.499 4.170 -0.046 0.000 0.327 577 I C 0.048 176.210 176.117 0.076 0.000 1.473 577 I CA -0.474 60.876 61.300 0.084 0.000 1.124 577 I CB 0.492 38.551 38.000 0.098 0.000 1.129 577 I HN 0.128 nan 8.210 nan 0.000 0.428 578 D N 2.953 123.392 120.400 0.065 0.000 2.468 578 D HA 0.368 4.980 4.640 -0.046 0.000 0.218 578 D C 1.043 177.377 176.300 0.057 0.000 1.155 578 D CA 0.454 54.490 54.000 0.059 0.000 0.924 578 D CB 0.415 41.246 40.800 0.051 0.000 1.029 578 D HN 0.551 nan 8.370 nan 0.000 0.515 579 G N 3.255 112.091 108.800 0.061 0.000 2.370 579 G HA2 -0.175 3.757 3.960 -0.046 0.000 0.268 579 G HA3 -0.175 3.757 3.960 -0.046 0.000 0.268 579 G C -0.135 174.806 174.900 0.067 0.000 1.122 579 G CA -0.305 44.831 45.100 0.059 0.000 0.963 579 G HN 0.474 nan 8.290 nan 0.000 0.500 580 Q N -0.778 119.069 119.800 0.079 0.000 2.687 580 Q HA 0.391 4.704 4.340 -0.046 0.000 0.305 580 Q C -0.985 175.086 176.000 0.118 0.000 1.006 580 Q CA -0.929 54.928 55.803 0.090 0.000 0.763 580 Q CB 0.933 29.722 28.738 0.084 0.000 1.506 580 Q HN 0.221 nan 8.270 nan 0.000 0.459 581 D N 1.942 122.418 120.400 0.127 0.000 2.383 581 D HA 0.275 4.888 4.640 -0.046 0.000 0.245 581 D C -0.380 176.021 176.300 0.167 0.000 1.263 581 D CA 0.007 54.104 54.000 0.161 0.000 0.936 581 D CB -0.522 40.326 40.800 0.080 0.000 1.053 581 D HN 0.415 nan 8.370 nan 0.000 0.507 582 I N -0.084 120.575 120.570 0.149 0.000 2.863 582 I HA 0.657 4.800 4.170 -0.046 0.000 0.311 582 I C -0.828 175.346 176.117 0.095 0.000 1.026 582 I CA -1.038 60.342 61.300 0.132 0.000 1.077 582 I CB 2.133 40.198 38.000 0.108 0.000 1.262 582 I HN -0.137 nan 8.210 nan 0.000 0.461 583 V N 4.455 124.417 119.914 0.080 0.000 2.531 583 V HA 0.389 4.482 4.120 -0.046 0.000 0.301 583 V C -0.096 175.938 176.094 -0.100 0.000 1.034 583 V CA -0.662 61.590 62.300 -0.081 0.000 0.865 583 V CB 1.666 33.381 31.823 -0.181 0.000 0.995 583 V HN 0.578 nan 8.190 nan 0.000 0.424 584 V N 3.981 123.792 119.914 -0.170 0.000 2.394 584 V HA 0.429 4.522 4.120 -0.046 0.000 0.282 584 V C -0.984 175.027 176.094 -0.138 0.000 1.031 584 V CA -0.472 61.794 62.300 -0.058 0.000 0.881 584 V CB 1.458 33.251 31.823 -0.051 0.000 0.982 584 V HN 0.914 nan 8.190 nan 0.000 0.451 585 W N 4.130 125.477 121.300 0.078 0.000 2.296 585 W HA 0.463 5.095 4.660 -0.046 0.000 0.316 585 W C 0.134 176.758 176.519 0.175 0.000 1.022 585 W CA -0.420 56.983 57.345 0.096 0.000 1.324 585 W CB 0.455 29.959 29.460 0.074 0.000 1.227 585 W HN 0.575 nan 8.180 nan 0.000 0.409 586 H N 2.325 121.493 119.070 0.163 0.000 2.476 586 H HA 0.392 4.921 4.556 -0.045 0.000 0.328 586 H C -0.561 174.955 175.328 0.313 0.000 1.073 586 H CA -0.324 55.784 56.048 0.101 0.000 1.229 586 H CB 1.183 30.815 29.762 -0.218 0.000 1.432 586 H HN 0.152 nan 8.280 nan 0.000 0.477 587 T N 7.140 121.746 114.554 0.086 0.000 2.767 587 T HA 0.283 4.605 4.350 -0.046 0.000 0.288 587 T C -0.869 173.778 174.700 -0.089 0.000 0.963 587 T CA -0.393 61.764 62.100 0.095 0.000 1.019 587 T CB -0.186 68.819 68.868 0.229 0.000 0.923 587 T HN 0.455 nan 8.240 nan 0.000 0.468 588 F N 0.237 120.100 119.950 -0.144 0.000 2.608 588 F HA 0.885 5.385 4.527 -0.045 0.000 0.309 588 F C -0.179 175.723 175.800 0.170 0.000 1.103 588 F CA -1.245 56.721 58.000 -0.057 0.000 0.954 588 F CB 1.174 40.103 39.000 -0.118 0.000 1.267 588 F HN 0.738 nan 8.300 nan 0.000 0.444 589 G N 1.981 110.882 108.800 0.168 0.000 2.645 589 G HA2 0.636 4.569 3.960 -0.046 0.000 0.292 589 G HA3 0.636 4.569 3.960 -0.046 0.000 0.292 589 G C -2.501 172.487 174.900 0.147 0.000 1.415 589 G CA -1.132 44.050 45.100 0.136 0.000 0.785 589 G HN 0.833 nan 8.290 nan 0.000 0.483 590 L N 0.481 121.775 121.223 0.117 0.000 2.341 590 L HA 0.534 4.847 4.340 -0.046 0.000 0.278 590 L C -0.110 176.734 176.870 -0.043 0.000 1.005 590 L CA -0.647 54.228 54.840 0.058 0.000 0.818 590 L CB 2.472 44.568 42.059 0.063 0.000 1.259 590 L HN 0.433 nan 8.230 nan 0.000 0.418 591 T N 1.235 115.711 114.554 -0.130 0.000 2.753 591 T HA 0.183 4.506 4.350 -0.046 0.000 0.297 591 T C -0.477 173.970 174.700 -0.422 0.000 0.981 591 T CA -0.131 61.769 62.100 -0.333 0.000 0.956 591 T CB -0.120 68.547 68.868 -0.334 0.000 0.936 591 T HN 0.402 nan 8.240 nan 0.000 0.463 592 H N 3.675 122.338 119.070 -0.679 0.000 2.685 592 H HA 0.341 4.870 4.556 -0.045 0.000 0.286 592 H C -1.022 173.876 175.328 -0.717 0.000 1.102 592 H CA -1.020 54.649 56.048 -0.633 0.000 1.254 592 H CB 0.128 29.517 29.762 -0.623 0.000 1.397 592 H HN 0.404 nan 8.280 nan 0.000 0.473 593 F N 6.713 126.595 119.950 -0.113 0.000 2.303 593 F HA 0.274 4.773 4.527 -0.047 0.000 0.368 593 F C -1.972 173.829 175.800 0.002 0.000 1.105 593 F CA -2.705 55.075 58.000 -0.367 0.000 1.153 593 F CB 0.770 39.448 39.000 -0.538 0.000 1.362 593 F HN 0.534 nan 8.300 nan 0.000 0.511 594 P HA 0.046 nan 4.420 nan 0.000 0.265 594 P C -0.394 177.041 177.300 0.226 0.000 1.187 594 P CA 0.040 63.250 63.100 0.184 0.000 0.766 594 P CB 0.536 32.284 31.700 0.080 0.000 0.820 595 R N 1.402 122.035 120.500 0.222 0.000 2.919 595 R HA 0.448 4.760 4.340 -0.046 0.000 0.260 595 R C 0.458 176.843 176.300 0.142 0.000 1.067 595 R CA -0.858 55.332 56.100 0.149 0.000 1.003 595 R CB 0.219 30.594 30.300 0.124 0.000 1.192 595 R HN 0.050 nan 8.270 nan 0.000 0.488 596 V N 1.025 120.999 119.914 0.101 0.000 2.453 596 V HA -0.243 3.850 4.120 -0.046 0.000 0.252 596 V C 1.555 177.738 176.094 0.149 0.000 1.068 596 V CA 2.152 64.520 62.300 0.113 0.000 1.070 596 V CB -0.771 31.094 31.823 0.071 0.000 0.664 596 V HN 0.756 nan 8.190 nan 0.000 0.461 597 E N -0.154 120.114 120.200 0.114 0.000 2.478 597 E HA -0.124 4.199 4.350 -0.046 0.000 0.198 597 E C 1.577 178.238 176.600 0.102 0.000 1.046 597 E CA 0.656 57.111 56.400 0.092 0.000 0.870 597 E CB -0.209 29.525 29.700 0.057 0.000 0.818 597 E HN 0.594 nan 8.360 nan 0.000 0.527 598 D N -0.951 119.547 120.400 0.163 0.000 2.348 598 D HA -0.059 4.553 4.640 -0.046 0.000 0.211 598 D C -0.163 176.264 176.300 0.211 0.000 0.998 598 D CA 0.265 54.374 54.000 0.181 0.000 0.873 598 D CB 0.156 41.125 40.800 0.282 0.000 0.925 598 D HN 0.210 nan 8.370 nan 0.000 0.524 599 W N 2.468 123.792 121.300 0.041 0.000 2.551 599 W HA 0.207 4.838 4.660 -0.048 0.000 0.330 599 W C -1.871 174.676 176.519 0.047 0.000 1.063 599 W CA -1.919 55.451 57.345 0.041 0.000 1.222 599 W CB 2.033 31.518 29.460 0.042 0.000 1.349 599 W HN -0.188 nan 8.180 nan 0.000 0.536 600 P HA 0.061 nan 4.420 nan 0.000 0.235 600 P C -0.106 176.706 177.300 -0.814 0.000 1.177 600 P CA 0.631 62.760 63.100 -1.618 0.000 0.785 600 P CB 1.227 32.276 31.700 -1.085 0.000 0.885 601 I N -0.285 120.010 120.570 -0.459 0.000 2.498 601 I HA 0.337 4.479 4.170 -0.046 0.000 0.290 601 I C -0.523 175.444 176.117 -0.250 0.000 1.032 601 I CA -1.792 59.236 61.300 -0.452 0.000 1.073 601 I CB 2.037 39.586 38.000 -0.753 0.000 1.251 601 I HN -0.272 nan 8.210 nan 0.000 0.426 602 M N 10.081 129.568 119.600 -0.189 0.000 2.143 602 M HA 0.368 4.821 4.480 -0.046 0.000 0.348 602 M C -2.305 173.930 176.300 -0.108 0.000 1.375 602 M CA -1.605 53.641 55.300 -0.090 0.000 1.124 602 M CB 0.740 33.316 32.600 -0.039 0.000 1.669 602 M HN 0.367 nan 8.290 nan 0.000 0.469 603 P HA 0.089 nan 4.420 nan 0.000 0.275 603 P C -0.615 176.636 177.300 -0.081 0.000 1.228 603 P CA -0.380 62.673 63.100 -0.078 0.000 0.786 603 P CB 0.639 32.305 31.700 -0.057 0.000 0.927 604 V N 2.920 122.791 119.914 -0.071 0.000 2.644 604 V HA -0.067 4.025 4.120 -0.046 0.000 0.305 604 V C 0.783 176.819 176.094 -0.097 0.000 1.053 604 V CA 1.178 63.433 62.300 -0.074 0.000 1.186 604 V CB -0.366 31.430 31.823 -0.045 0.000 0.895 604 V HN 0.654 nan 8.190 nan 0.000 0.490 605 D N 2.508 122.832 120.400 -0.127 0.000 2.575 605 D HA 0.674 5.286 4.640 -0.046 0.000 0.236 605 D C -0.345 175.883 176.300 -0.121 0.000 1.075 605 D CA -0.231 53.691 54.000 -0.131 0.000 0.860 605 D CB 2.263 42.950 40.800 -0.189 0.000 1.475 605 D HN 0.719 nan 8.370 nan 0.000 0.474 606 T N -0.816 113.686 114.554 -0.086 0.000 2.907 606 T HA 0.790 5.113 4.350 -0.046 0.000 0.292 606 T C -0.385 174.321 174.700 0.010 0.000 1.043 606 T CA -0.674 61.377 62.100 -0.081 0.000 1.003 606 T CB 1.249 70.060 68.868 -0.096 0.000 1.084 606 T HN 0.243 nan 8.240 nan 0.000 0.483 607 V N -1.075 118.832 119.914 -0.011 0.000 3.159 607 V HA 1.057 5.150 4.120 -0.046 0.000 0.308 607 V C 0.426 176.449 176.094 -0.118 0.000 1.190 607 V CA -0.295 62.062 62.300 0.094 0.000 1.037 607 V CB 1.221 33.192 31.823 0.246 0.000 1.060 607 V HN 1.583 nan 8.190 nan 0.000 0.437 608 G N 0.335 108.898 108.800 -0.395 0.000 2.356 608 G HA2 0.739 4.672 3.960 -0.046 0.000 0.281 608 G HA3 0.739 4.672 3.960 -0.046 0.000 0.281 608 G C -1.671 172.782 174.900 -0.745 0.000 1.246 608 G CA 0.165 44.899 45.100 -0.611 0.000 0.889 608 G HN 2.051 nan 8.290 nan 0.000 0.486 609 F N -1.065 118.575 119.950 -0.517 0.000 2.770 609 F HA 0.843 5.342 4.527 -0.046 0.000 0.313 609 F C -1.063 174.732 175.800 -0.009 0.000 1.154 609 F CA -1.060 56.808 58.000 -0.219 0.000 0.923 609 F CB 1.449 40.349 39.000 -0.166 0.000 1.301 609 F HN 0.814 nan 8.300 nan 0.000 0.449 610 K N 1.314 121.884 120.400 0.284 0.000 2.512 610 K HA 0.859 5.152 4.320 -0.046 0.000 0.263 610 K C -2.354 174.485 176.600 0.399 0.000 0.966 610 K CA -1.038 55.391 56.287 0.237 0.000 0.851 610 K CB 2.879 35.476 32.500 0.161 0.000 1.395 610 K HN 0.802 nan 8.250 nan 0.000 0.440 611 L N 1.477 122.930 121.223 0.384 0.000 2.381 611 L HA 0.573 4.886 4.340 -0.046 0.000 0.274 611 L C -0.518 176.610 176.870 0.431 0.000 0.988 611 L CA -0.603 54.500 54.840 0.438 0.000 0.824 611 L CB 2.115 44.448 42.059 0.456 0.000 1.263 611 L HN 0.593 nan 8.230 nan 0.000 0.410 612 R N 2.807 123.481 120.500 0.291 0.000 2.740 612 R HA 0.556 4.869 4.340 -0.046 0.000 0.282 612 R C -2.592 173.447 176.300 -0.435 0.000 0.969 612 R CA -1.907 54.220 56.100 0.044 0.000 0.918 612 R CB 2.165 32.531 30.300 0.110 0.000 1.175 612 R HN 0.230 nan 8.270 nan 0.000 0.464 613 P HA -0.026 nan 4.420 nan 0.000 0.265 613 P C -0.985 176.118 177.300 -0.329 0.000 1.193 613 P CA 0.234 62.769 63.100 -0.941 0.000 0.765 613 P CB 0.666 32.162 31.700 -0.339 0.000 0.823 614 E N 2.553 122.621 120.200 -0.220 0.000 2.873 614 E HA 0.430 4.753 4.350 -0.046 0.000 0.232 614 E C 0.525 177.133 176.600 0.012 0.000 1.123 614 E CA -0.374 55.996 56.400 -0.050 0.000 0.809 614 E CB -0.812 28.876 29.700 -0.020 0.000 1.366 614 E HN 0.577 nan 8.360 nan 0.000 0.400 615 G N 3.112 111.931 108.800 0.032 0.000 2.176 615 G HA2 -0.349 3.583 3.960 -0.046 0.000 0.252 615 G HA3 -0.349 3.583 3.960 -0.046 0.000 0.252 615 G C 0.427 175.352 174.900 0.042 0.000 1.024 615 G CA 0.376 45.500 45.100 0.040 0.000 0.755 615 G HN 0.524 nan 8.290 nan 0.000 0.507 616 F N -0.010 119.844 119.950 -0.160 0.000 2.219 616 F HA 0.502 5.001 4.527 -0.046 0.000 0.294 616 F C 1.235 176.790 175.800 -0.409 0.000 1.086 616 F CA 0.368 58.180 58.000 -0.312 0.000 1.330 616 F CB 0.092 38.807 39.000 -0.475 0.000 1.047 616 F HN 0.094 nan 8.300 nan 0.000 0.495 617 F N 0.731 120.702 119.950 0.035 0.000 2.403 617 F HA 0.227 4.726 4.527 -0.046 0.000 0.326 617 F C 1.490 177.254 175.800 -0.061 0.000 1.081 617 F CA -0.780 57.185 58.000 -0.058 0.000 1.041 617 F CB 0.333 39.315 39.000 -0.030 0.000 1.234 617 F HN -0.211 nan 8.300 nan 0.000 0.503 618 D N 0.248 120.731 120.400 0.140 0.000 2.347 618 D HA 0.007 4.619 4.640 -0.046 0.000 0.215 618 D C 0.613 176.947 176.300 0.058 0.000 0.976 618 D CA 0.806 54.841 54.000 0.059 0.000 0.884 618 D CB 0.324 41.141 40.800 0.028 0.000 0.915 618 D HN 0.552 nan 8.370 nan 0.000 0.526 619 R N -1.772 118.776 120.500 0.081 0.000 2.855 619 R HA 0.243 4.556 4.340 -0.046 0.000 0.274 619 R C -0.775 175.531 176.300 0.010 0.000 0.997 619 R CA -0.733 55.388 56.100 0.035 0.000 0.856 619 R CB 0.479 30.785 30.300 0.010 0.000 1.378 619 R HN -0.213 nan 8.270 nan 0.000 0.462 620 S N 1.507 117.192 115.700 -0.026 0.000 2.596 620 S HA 0.087 4.529 4.470 -0.046 0.000 0.298 620 S C -1.243 173.269 174.600 -0.146 0.000 1.255 620 S CA -0.998 57.159 58.200 -0.072 0.000 1.083 620 S CB 0.472 63.648 63.200 -0.039 0.000 0.837 620 S HN 0.470 nan 8.310 nan 0.000 0.499 621 P HA 0.037 nan 4.420 nan 0.000 0.245 621 P C 0.635 177.812 177.300 -0.205 0.000 1.212 621 P CA 0.431 63.246 63.100 -0.476 0.000 0.774 621 P CB -0.190 30.718 31.700 -1.319 0.000 0.999 622 V N -4.284 115.564 119.914 -0.110 0.000 3.043 622 V HA 0.235 4.328 4.120 -0.046 0.000 0.357 622 V C 1.609 177.724 176.094 0.035 0.000 1.372 622 V CA -0.062 62.230 62.300 -0.014 0.000 1.214 622 V CB -0.882 30.955 31.823 0.023 0.000 1.224 622 V HN -0.118 nan 8.190 nan 0.000 0.507 623 L N 1.265 122.499 121.223 0.018 0.000 2.313 623 L HA 0.034 4.346 4.340 -0.046 0.000 0.214 623 L C 2.207 179.114 176.870 0.063 0.000 1.119 623 L CA 1.496 56.367 54.840 0.052 0.000 0.809 623 L CB -0.170 41.896 42.059 0.012 0.000 0.933 623 L HN 0.578 nan 8.230 nan 0.000 0.449 624 D N 0.313 120.733 120.400 0.032 0.000 2.339 624 D HA -0.027 4.585 4.640 -0.046 0.000 0.217 624 D C 0.672 176.983 176.300 0.019 0.000 1.050 624 D CA 0.023 54.038 54.000 0.025 0.000 0.856 624 D CB -0.379 40.424 40.800 0.005 0.000 0.922 624 D HN 0.140 nan 8.370 nan 0.000 0.518 625 V N -0.511 119.421 119.914 0.029 0.000 2.555 625 V HA 0.370 4.463 4.120 -0.046 0.000 0.286 625 V C -2.139 173.963 176.094 0.014 0.000 1.044 625 V CA -1.402 60.905 62.300 0.012 0.000 1.026 625 V CB 0.650 32.483 31.823 0.017 0.000 0.981 625 V HN -0.081 nan 8.190 nan 0.000 0.480 626 P HA 0.414 nan 4.420 nan 0.000 0.276 626 P C -0.566 176.719 177.300 -0.025 0.000 1.261 626 P CA -0.552 62.546 63.100 -0.003 0.000 0.800 626 P CB 1.404 33.103 31.700 -0.003 0.000 1.066 627 A N 1.871 124.672 122.820 -0.032 0.000 2.621 627 A HA 0.278 4.571 4.320 -0.046 0.000 0.329 627 A C 0.369 177.936 177.584 -0.029 0.000 1.458 627 A CA -0.595 51.409 52.037 -0.055 0.000 1.052 627 A CB -0.959 17.997 19.000 -0.073 0.000 1.142 627 A HN 0.421 nan 8.150 nan 0.000 0.523 628 N N 0.000 118.689 118.700 -0.018 0.000 1.763 628 N HA 0.000 4.713 4.740 -0.046 0.000 0.220 628 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 628 N CB 0.000 38.493 38.487 0.010 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667