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 2cwu_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFA 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 0.000 177.575 177.584 -0.015 0.000 1.274 9 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 9 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 10 S N 2.400 118.099 115.700 -0.002 0.000 2.516 10 S HA 0.359 4.818 4.470 -0.019 0.000 0.282 10 S C -0.981 173.592 174.600 -0.045 0.000 1.286 10 S CA -0.353 57.856 58.200 0.014 0.000 1.066 10 S CB 0.777 64.017 63.200 0.066 0.000 0.884 10 S HN 0.311 nan 8.310 nan 0.000 0.491 11 P HA 0.070 nan 4.420 nan 0.000 0.242 11 P C 0.079 177.020 177.300 -0.598 0.000 1.197 11 P CA 0.547 63.430 63.100 -0.360 0.000 0.765 11 P CB -0.111 31.318 31.700 -0.451 0.000 0.936 12 F N 0.448 120.323 119.950 -0.124 0.000 2.654 12 F HA 0.233 4.749 4.527 -0.018 0.000 0.303 12 F C 1.469 177.187 175.800 -0.137 0.000 1.099 12 F CA -0.803 57.074 58.000 -0.206 0.000 1.270 12 F CB -0.036 38.837 39.000 -0.212 0.000 1.024 12 F HN -0.169 nan 8.300 nan 0.000 0.548 13 R N 0.639 121.153 120.500 0.024 0.000 2.734 13 R HA 0.286 4.615 4.340 -0.019 0.000 0.266 13 R C -0.172 176.141 176.300 0.021 0.000 1.044 13 R CA -0.447 55.675 56.100 0.037 0.000 1.128 13 R CB 0.474 30.789 30.300 0.025 0.000 1.010 13 R HN 0.139 nan 8.270 nan 0.000 0.461 14 L N 1.594 122.844 121.223 0.046 0.000 2.467 14 L HA 0.151 4.480 4.340 -0.019 0.000 0.270 14 L C 0.788 177.694 176.870 0.060 0.000 1.205 14 L CA -0.216 54.656 54.840 0.053 0.000 0.828 14 L CB 0.541 42.634 42.059 0.057 0.000 1.101 14 L HN 0.856 nan 8.230 nan 0.000 0.479 15 A N 2.233 125.104 122.820 0.086 0.000 2.498 15 A HA 0.359 4.668 4.320 -0.019 0.000 0.239 15 A C 0.321 177.975 177.584 0.116 0.000 1.068 15 A CA -0.130 52.008 52.037 0.168 0.000 0.766 15 A CB 0.107 19.262 19.000 0.259 0.000 1.003 15 A HN 0.751 nan 8.150 nan 0.000 0.497 16 S N 1.183 116.945 115.700 0.105 0.000 2.690 16 S HA 0.635 5.094 4.470 -0.019 0.000 0.291 16 S C 1.135 175.745 174.600 0.017 0.000 1.138 16 S CA -0.198 58.030 58.200 0.046 0.000 1.013 16 S CB 1.555 64.774 63.200 0.032 0.000 1.053 16 S HN 1.592 nan 8.310 nan 0.000 0.539 17 A N 1.585 124.405 122.820 -0.000 0.000 1.908 17 A HA 0.112 4.421 4.320 -0.019 0.000 0.218 17 A C 2.136 179.695 177.584 -0.041 0.000 1.181 17 A CA 1.873 53.899 52.037 -0.019 0.000 0.627 17 A CB -1.824 17.167 19.000 -0.014 0.000 0.818 17 A HN 1.190 nan 8.150 nan 0.000 0.445 18 G N -0.504 108.275 108.800 -0.035 0.000 2.440 18 G HA2 -0.234 3.715 3.960 -0.019 0.000 0.218 18 G HA3 -0.234 3.715 3.960 -0.019 0.000 0.218 18 G C 1.425 176.269 174.900 -0.094 0.000 1.154 18 G CA 1.004 46.074 45.100 -0.051 0.000 0.767 18 G HN 0.667 nan 8.290 nan 0.000 0.552 19 E N -0.036 120.102 120.200 -0.103 0.000 2.110 19 E HA -0.069 4.270 4.350 -0.019 0.000 0.193 19 E C 2.510 178.853 176.600 -0.429 0.000 0.988 19 E CA 0.605 56.867 56.400 -0.231 0.000 0.804 19 E CB -0.142 29.487 29.700 -0.119 0.000 0.745 19 E HN 0.499 nan 8.360 nan 0.000 0.458 20 I N 0.771 121.161 120.570 -0.301 0.000 2.252 20 I HA -0.233 3.926 4.170 -0.019 0.000 0.245 20 I C 2.354 178.345 176.117 -0.209 0.000 1.102 20 I CA 0.738 61.865 61.300 -0.289 0.000 1.385 20 I CB -0.128 37.790 38.000 -0.136 0.000 1.064 20 I HN -0.013 nan 8.210 nan 0.000 0.414 21 S N 0.158 115.772 115.700 -0.142 0.000 2.382 21 S HA -0.212 4.246 4.470 -0.019 0.000 0.228 21 S C 1.888 176.419 174.600 -0.114 0.000 1.027 21 S CA 1.342 59.483 58.200 -0.099 0.000 0.991 21 S CB -0.197 62.963 63.200 -0.067 0.000 0.823 21 S HN 0.382 nan 8.310 nan 0.000 0.469 22 E N 1.243 121.353 120.200 -0.150 0.000 2.072 22 E HA -0.079 4.260 4.350 -0.019 0.000 0.191 22 E C 1.871 178.374 176.600 -0.162 0.000 0.985 22 E CA 0.908 57.224 56.400 -0.141 0.000 0.801 22 E CB -0.309 29.302 29.700 -0.149 0.000 0.750 22 E HN 0.244 nan 8.360 nan 0.000 0.452 23 V N 0.885 120.646 119.914 -0.255 0.000 2.343 23 V HA -0.278 3.831 4.120 -0.019 0.000 0.247 23 V C 2.575 178.595 176.094 -0.122 0.000 1.051 23 V CA 2.220 64.383 62.300 -0.228 0.000 1.036 23 V CB -0.644 30.968 31.823 -0.351 0.000 0.654 23 V HN 0.417 nan 8.190 nan 0.000 0.451 24 Q N 0.144 119.878 119.800 -0.110 0.000 2.061 24 Q HA -0.193 4.136 4.340 -0.019 0.000 0.204 24 Q C 2.240 178.217 176.000 -0.039 0.000 0.984 24 Q CA 2.204 57.974 55.803 -0.054 0.000 0.846 24 Q CB -0.499 28.215 28.738 -0.040 0.000 0.902 24 Q HN 0.646 nan 8.270 nan 0.000 0.421 25 G N 0.937 109.707 108.800 -0.050 0.000 2.418 25 G HA2 -0.225 3.724 3.960 -0.019 0.000 0.217 25 G HA3 -0.225 3.724 3.960 -0.019 0.000 0.217 25 G C 1.413 176.295 174.900 -0.030 0.000 1.158 25 G CA 0.885 45.963 45.100 -0.036 0.000 0.771 25 G HN 0.374 nan 8.290 nan 0.000 0.545 26 I N 0.385 120.931 120.570 -0.040 0.000 2.226 26 I HA -0.134 4.025 4.170 -0.019 0.000 0.245 26 I C 2.710 178.819 176.117 -0.013 0.000 1.100 26 I CA 0.683 61.967 61.300 -0.027 0.000 1.374 26 I CB -0.190 37.790 38.000 -0.033 0.000 1.057 26 I HN 0.127 nan 8.210 nan 0.000 0.413 27 L N 0.029 121.244 121.223 -0.014 0.000 2.046 27 L HA -0.196 4.133 4.340 -0.019 0.000 0.208 27 L C 2.784 179.657 176.870 0.004 0.000 1.077 27 L CA 1.387 56.228 54.840 0.002 0.000 0.747 27 L CB -0.578 41.485 42.059 0.006 0.000 0.896 27 L HN 0.165 nan 8.230 nan 0.000 0.432 28 R N -0.591 119.909 120.500 -0.000 0.000 2.073 28 R HA -0.134 4.195 4.340 -0.019 0.000 0.234 28 R C 2.301 178.601 176.300 -0.000 0.000 1.134 28 R CA 1.966 58.067 56.100 0.002 0.000 0.952 28 R CB -0.629 29.671 30.300 -0.001 0.000 0.850 28 R HN 0.303 nan 8.270 nan 0.000 0.433 29 T N 0.673 115.225 114.554 -0.004 0.000 2.759 29 T HA -0.132 4.207 4.350 -0.019 0.000 0.269 29 T C 1.706 176.405 174.700 -0.001 0.000 1.042 29 T CA 1.411 63.509 62.100 -0.004 0.000 1.140 29 T CB -0.139 68.724 68.868 -0.008 0.000 0.864 29 T HN 0.366 nan 8.240 nan 0.000 0.455 30 A N 0.319 123.140 122.820 0.001 0.000 2.235 30 A HA 0.481 4.790 4.320 -0.019 0.000 0.208 30 A C 1.915 179.502 177.584 0.006 0.000 1.172 30 A CA 0.849 52.889 52.037 0.005 0.000 0.786 30 A CB -0.813 18.192 19.000 0.009 0.000 0.804 30 A HN 0.744 nan 8.150 nan 0.000 0.479 31 G N -1.230 107.573 108.800 0.005 0.000 2.147 31 G HA2 -0.239 3.710 3.960 -0.019 0.000 0.244 31 G HA3 -0.239 3.710 3.960 -0.019 0.000 0.244 31 G C 0.509 175.414 174.900 0.008 0.000 1.005 31 G CA 0.500 45.603 45.100 0.005 0.000 0.713 31 G HN 0.539 nan 8.290 nan 0.000 0.515 32 L N -1.294 119.937 121.223 0.012 0.000 2.640 32 L HA 0.490 4.819 4.340 -0.019 0.000 0.230 32 L C 1.031 177.914 176.870 0.022 0.000 1.123 32 L CA 0.070 54.921 54.840 0.018 0.000 0.900 32 L CB 0.586 42.660 42.059 0.025 0.000 1.146 32 L HN 0.190 nan 8.230 nan 0.000 0.484 33 L N 0.562 121.798 121.223 0.021 0.000 2.625 33 L HA 0.506 4.835 4.340 -0.019 0.000 0.255 33 L C 0.598 177.487 176.870 0.031 0.000 1.493 33 L CA -0.166 54.691 54.840 0.030 0.000 0.796 33 L CB 0.509 42.587 42.059 0.032 0.000 1.064 33 L HN -0.045 nan 8.230 nan 0.000 0.516 34 G N 0.562 109.376 108.800 0.024 0.000 2.611 34 G HA2 0.296 4.245 3.960 -0.019 0.000 0.273 34 G HA3 0.296 4.245 3.960 -0.019 0.000 0.273 34 G C -1.560 173.363 174.900 0.039 0.000 1.305 34 G CA -0.433 44.680 45.100 0.022 0.000 1.010 34 G HN 0.368 nan 8.290 nan 0.000 0.509 35 P HA -0.107 nan 4.420 nan 0.000 0.223 35 P C 1.104 178.444 177.300 0.067 0.000 1.144 35 P CA 1.249 64.380 63.100 0.051 0.000 0.783 35 P CB 0.235 31.950 31.700 0.024 0.000 0.771 36 E N -0.582 119.639 120.200 0.036 0.000 2.479 36 E HA 0.031 4.370 4.350 -0.019 0.000 0.193 36 E C 0.257 176.853 176.600 -0.007 0.000 1.049 36 E CA 0.283 56.692 56.400 0.015 0.000 0.870 36 E CB -0.046 29.645 29.700 -0.015 0.000 0.944 36 E HN 0.112 nan 8.360 nan 0.000 0.492 37 K N 1.461 121.874 120.400 0.021 0.000 2.098 37 K HA 0.416 4.725 4.320 -0.019 0.000 0.261 37 K C 0.232 176.860 176.600 0.047 0.000 0.987 37 K CA -0.579 55.715 56.287 0.011 0.000 0.916 37 K CB 1.326 33.841 32.500 0.025 0.000 1.039 37 K HN -0.031 nan 8.250 nan 0.000 0.455 38 R N 1.338 121.861 120.500 0.039 0.000 2.651 38 R HA 0.391 4.720 4.340 -0.019 0.000 0.278 38 R C -0.539 175.789 176.300 0.047 0.000 1.010 38 R CA -1.076 55.032 56.100 0.013 0.000 0.896 38 R CB 1.073 31.397 30.300 0.040 0.000 1.211 38 R HN 0.413 nan 8.270 nan 0.000 0.456 39 I N 2.117 122.678 120.570 -0.015 0.000 2.322 39 I HA 0.139 4.298 4.170 -0.019 0.000 0.292 39 I C 1.356 177.490 176.117 0.028 0.000 1.060 39 I CA 0.324 61.635 61.300 0.017 0.000 1.309 39 I CB 1.312 39.293 38.000 -0.032 0.000 1.415 39 I HN 0.793 nan 8.210 nan 0.000 0.492 40 A N 6.005 128.904 122.820 0.131 0.000 2.081 40 A HA 0.096 4.405 4.320 -0.019 0.000 0.214 40 A C 0.335 178.039 177.584 0.201 0.000 1.158 40 A CA 0.790 52.920 52.037 0.156 0.000 0.724 40 A CB 0.039 19.175 19.000 0.227 0.000 0.826 40 A HN 0.604 nan 8.150 nan 0.000 0.463 41 Y N -1.897 118.419 120.300 0.026 0.000 2.480 41 Y HA 0.572 5.111 4.550 -0.019 0.000 0.329 41 Y C -1.805 173.986 175.900 -0.182 0.000 1.127 41 Y CA -1.222 56.792 58.100 -0.143 0.000 1.037 41 Y CB 1.250 39.480 38.460 -0.383 0.000 1.320 41 Y HN 0.150 nan 8.280 nan 0.000 0.446 42 L N 5.381 125.908 121.223 -1.160 0.000 2.543 42 L HA 0.948 5.277 4.340 -0.019 0.000 0.265 42 L C -1.245 175.089 176.870 -0.894 0.000 0.945 42 L CA -0.216 54.155 54.840 -0.782 0.000 0.869 42 L CB 1.937 43.823 42.059 -0.288 0.000 1.294 42 L HN 0.942 nan 8.230 nan 0.000 0.405 43 G N 2.755 111.190 108.800 -0.609 0.000 2.704 43 G HA2 0.486 4.435 3.960 -0.019 0.000 0.293 43 G HA3 0.486 4.435 3.960 -0.019 0.000 0.293 43 G C -1.849 172.857 174.900 -0.324 0.000 1.421 43 G CA -0.549 44.347 45.100 -0.340 0.000 0.870 43 G HN 0.504 nan 8.290 nan 0.000 0.492 44 V N 1.514 121.084 119.914 -0.574 0.000 2.649 44 V HA 0.555 4.664 4.120 -0.019 0.000 0.292 44 V C 0.132 175.951 176.094 -0.459 0.000 1.055 44 V CA -0.551 61.133 62.300 -1.027 0.000 1.023 44 V CB 0.775 32.005 31.823 -0.989 0.000 0.992 44 V HN 0.563 nan 8.190 nan 0.000 0.480 45 L N 5.696 126.684 121.223 -0.391 0.000 2.305 45 L HA 0.417 4.746 4.340 -0.019 0.000 0.281 45 L C 0.051 176.809 176.870 -0.188 0.000 1.085 45 L CA -0.647 54.079 54.840 -0.190 0.000 0.813 45 L CB 1.011 43.000 42.059 -0.117 0.000 1.157 45 L HN 0.642 nan 8.230 nan 0.000 0.436 46 D N 4.061 124.398 120.400 -0.105 0.000 2.382 46 D HA 0.162 4.791 4.640 -0.019 0.000 0.240 46 D C -1.936 174.291 176.300 -0.121 0.000 1.146 46 D CA -0.788 53.154 54.000 -0.097 0.000 0.897 46 D CB 0.314 41.155 40.800 0.068 0.000 1.197 46 D HN 0.306 nan 8.370 nan 0.000 0.432 47 P HA 0.186 nan 4.420 nan 0.000 0.271 47 P C -0.763 176.502 177.300 -0.058 0.000 1.218 47 P CA -0.429 62.573 63.100 -0.164 0.000 0.780 47 P CB 0.638 32.173 31.700 -0.274 0.000 0.901 48 A N 3.880 126.674 122.820 -0.042 0.000 2.386 48 A HA 0.193 4.502 4.320 -0.019 0.000 0.246 48 A C 0.743 178.309 177.584 -0.030 0.000 1.089 48 A CA -0.305 51.725 52.037 -0.012 0.000 0.790 48 A CB 0.013 19.009 19.000 -0.007 0.000 1.042 48 A HN 0.452 nan 8.150 nan 0.000 0.497 49 R N 0.029 120.495 120.500 -0.056 0.000 2.643 49 R HA 0.397 4.726 4.340 -0.019 0.000 0.270 49 R C 0.823 177.097 176.300 -0.045 0.000 1.061 49 R CA 1.208 57.239 56.100 -0.115 0.000 1.107 49 R CB -0.423 29.742 30.300 -0.225 0.000 0.999 49 R HN 1.856 nan 8.270 nan 0.000 0.460 50 G N 0.594 109.387 108.800 -0.012 0.000 2.854 50 G HA2 -0.171 3.778 3.960 -0.019 0.000 0.686 50 G HA3 -0.171 3.778 3.960 -0.019 0.000 0.686 50 G C -0.056 174.852 174.900 0.013 0.000 1.202 50 G CA -0.254 44.855 45.100 0.014 0.000 0.878 50 G HN 0.784 nan 8.290 nan 0.000 0.583 51 A N 2.481 125.314 122.820 0.022 0.000 3.076 51 A HA 0.590 4.899 4.320 -0.019 0.000 0.269 51 A C 1.844 179.430 177.584 0.002 0.000 1.916 51 A CA 1.325 53.369 52.037 0.012 0.000 1.492 51 A CB -0.744 18.267 19.000 0.017 0.000 1.000 51 A HN 2.231 nan 8.150 nan 0.000 0.615 52 G N 0.715 109.512 108.800 -0.004 0.000 2.813 52 G HA2 -0.001 3.948 3.960 -0.019 0.000 0.208 52 G HA3 -0.001 3.948 3.960 -0.019 0.000 0.208 52 G C 0.868 175.763 174.900 -0.008 0.000 1.395 52 G CA 0.623 45.719 45.100 -0.006 0.000 0.849 52 G HN 0.590 nan 8.290 nan 0.000 0.617 53 S N 0.941 116.633 115.700 -0.014 0.000 2.626 53 S HA 0.026 4.485 4.470 -0.019 0.000 0.303 53 S C 1.322 175.914 174.600 -0.014 0.000 1.256 53 S CA 0.352 58.544 58.200 -0.015 0.000 1.069 53 S CB 1.299 64.486 63.200 -0.021 0.000 0.807 53 S HN 0.590 nan 8.310 nan 0.000 0.500 54 E N 2.590 122.784 120.200 -0.010 0.000 2.086 54 E HA -0.234 4.105 4.350 -0.019 0.000 0.205 54 E C 0.752 177.344 176.600 -0.013 0.000 1.027 54 E CA 1.453 57.848 56.400 -0.009 0.000 0.830 54 E CB 0.052 29.748 29.700 -0.007 0.000 0.751 54 E HN 0.777 nan 8.360 nan 0.000 0.456 55 A N 0.508 123.318 122.820 -0.017 0.000 2.309 55 A HA 0.381 4.690 4.320 -0.019 0.000 0.317 55 A C -0.950 176.614 177.584 -0.034 0.000 1.134 55 A CA -0.430 51.594 52.037 -0.022 0.000 0.866 55 A CB 0.986 19.975 19.000 -0.018 0.000 1.329 55 A HN 0.271 nan 8.150 nan 0.000 0.477 56 E N 0.448 120.620 120.200 -0.046 0.000 2.223 56 E HA 0.394 4.733 4.350 -0.019 0.000 0.282 56 E C -1.046 175.519 176.600 -0.058 0.000 1.046 56 E CA -0.179 56.178 56.400 -0.071 0.000 0.857 56 E CB 0.781 30.418 29.700 -0.104 0.000 1.055 56 E HN 0.403 nan 8.360 nan 0.000 0.409 57 D N 3.075 123.442 120.400 -0.056 0.000 2.317 57 D HA 0.125 4.753 4.640 -0.019 0.000 0.234 57 D C -0.653 175.622 176.300 -0.041 0.000 1.112 57 D CA -0.688 53.292 54.000 -0.034 0.000 0.840 57 D CB 0.569 41.355 40.800 -0.023 0.000 1.078 57 D HN 0.216 nan 8.370 nan 0.000 0.486 58 R N 3.982 124.475 120.500 -0.012 0.000 2.248 58 R HA 0.374 4.703 4.340 -0.019 0.000 0.328 58 R C 0.018 176.367 176.300 0.083 0.000 1.067 58 R CA -0.133 55.975 56.100 0.013 0.000 0.924 58 R CB 0.556 30.905 30.300 0.081 0.000 1.013 58 R HN 0.501 nan 8.270 nan 0.000 0.454 59 R N 2.349 122.861 120.500 0.020 0.000 2.740 59 R HA 0.515 4.844 4.340 -0.019 0.000 0.282 59 R C -0.796 175.518 176.300 0.022 0.000 0.969 59 R CA -0.693 55.459 56.100 0.085 0.000 0.918 59 R CB 1.640 31.950 30.300 0.017 0.000 1.175 59 R HN 0.248 nan 8.270 nan 0.000 0.464 60 F N 0.453 120.382 119.950 -0.034 0.000 2.563 60 F HA 0.511 5.027 4.527 -0.018 0.000 0.316 60 F C 0.214 176.001 175.800 -0.022 0.000 1.076 60 F CA -0.835 57.138 58.000 -0.045 0.000 0.921 60 F CB 1.998 40.959 39.000 -0.065 0.000 1.209 60 F HN 0.192 nan 8.300 nan 0.000 0.462 61 R N 1.713 122.285 120.500 0.121 0.000 2.637 61 R HA 0.889 5.218 4.340 -0.019 0.000 0.291 61 R C -2.003 174.338 176.300 0.069 0.000 0.963 61 R CA -0.558 55.614 56.100 0.120 0.000 0.901 61 R CB 1.704 32.082 30.300 0.129 0.000 1.160 61 R HN 0.554 nan 8.270 nan 0.000 0.457 62 V N 4.030 124.018 119.914 0.124 0.000 2.925 62 V HA 0.523 4.631 4.120 -0.019 0.000 0.311 62 V C -1.238 175.077 176.094 0.368 0.000 1.104 62 V CA -0.855 61.503 62.300 0.097 0.000 0.954 62 V CB 2.065 33.934 31.823 0.077 0.000 1.022 62 V HN 0.564 nan 8.190 nan 0.000 0.427 63 F N 4.043 124.151 119.950 0.265 0.000 2.402 63 F HA 0.605 5.121 4.527 -0.019 0.000 0.355 63 F C -0.061 175.839 175.800 0.166 0.000 1.123 63 F CA -1.736 56.416 58.000 0.253 0.000 1.021 63 F CB 1.415 40.609 39.000 0.323 0.000 1.160 63 F HN 0.132 nan 8.300 nan 0.000 0.451 64 I N 3.784 124.539 120.570 0.307 0.000 2.330 64 I HA 0.166 4.325 4.170 -0.019 0.000 0.289 64 I C 0.095 176.312 176.117 0.167 0.000 1.001 64 I CA -0.537 60.876 61.300 0.189 0.000 1.193 64 I CB 0.797 38.868 38.000 0.118 0.000 1.345 64 I HN 0.559 nan 8.210 nan 0.000 0.461 65 H N 5.880 124.988 119.070 0.064 0.000 2.482 65 H HA 0.399 4.944 4.556 -0.019 0.000 0.344 65 H C -1.000 174.338 175.328 0.017 0.000 1.151 65 H CA -0.138 55.928 56.048 0.029 0.000 1.300 65 H CB 1.216 30.996 29.762 0.030 0.000 1.494 65 H HN 0.539 nan 8.280 nan 0.000 0.542 66 D N 3.735 123.701 120.400 -0.724 0.000 2.549 66 D HA 0.085 4.714 4.640 -0.019 0.000 0.251 66 D C 0.926 176.790 176.300 -0.727 0.000 1.153 66 D CA -0.508 53.187 54.000 -0.509 0.000 0.861 66 D CB 1.563 42.221 40.800 -0.236 0.000 1.207 66 D HN 0.478 nan 8.370 nan 0.000 0.543 67 V N 2.164 121.823 119.914 -0.425 0.000 3.380 67 V HA -0.038 4.071 4.120 -0.019 0.000 0.268 67 V C 1.558 177.603 176.094 -0.080 0.000 1.168 67 V CA 1.618 63.810 62.300 -0.180 0.000 1.156 67 V CB -0.597 31.223 31.823 -0.006 0.000 0.785 67 V HN 0.484 nan 8.190 nan 0.000 0.487 68 S N -0.413 115.229 115.700 -0.098 0.000 2.503 68 S HA 0.452 4.911 4.470 -0.019 0.000 0.217 68 S C 1.729 176.302 174.600 -0.045 0.000 0.999 68 S CA 0.851 59.021 58.200 -0.049 0.000 0.914 68 S CB 0.474 63.649 63.200 -0.041 0.000 0.782 68 S HN 1.651 nan 8.310 nan 0.000 0.520 69 G N 0.623 109.381 108.800 -0.070 0.000 2.211 69 G HA2 0.006 3.955 3.960 -0.019 0.000 0.201 69 G HA3 0.006 3.955 3.960 -0.019 0.000 0.201 69 G C 0.322 175.192 174.900 -0.050 0.000 0.997 69 G CA -0.131 44.944 45.100 -0.042 0.000 0.652 69 G HN 1.128 nan 8.290 nan 0.000 0.500 70 A N 0.435 123.216 122.820 -0.066 0.000 2.429 70 A HA 0.650 4.959 4.320 -0.019 0.000 0.242 70 A C 0.873 178.419 177.584 -0.064 0.000 1.088 70 A CA 0.266 52.268 52.037 -0.057 0.000 0.784 70 A CB 0.172 19.139 19.000 -0.055 0.000 1.038 70 A HN 0.534 nan 8.150 nan 0.000 0.501 71 R N 1.087 121.554 120.500 -0.056 0.000 2.537 71 R HA 0.207 4.536 4.340 -0.019 0.000 0.280 71 R C -2.081 174.181 176.300 -0.064 0.000 1.058 71 R CA -0.897 55.165 56.100 -0.064 0.000 1.057 71 R CB 0.100 30.362 30.300 -0.064 0.000 0.973 71 R HN 0.608 nan 8.270 nan 0.000 0.438 72 P HA 0.078 nan 4.420 nan 0.000 0.277 72 P C -1.079 176.187 177.300 -0.057 0.000 1.271 72 P CA -0.340 62.732 63.100 -0.047 0.000 0.795 72 P CB 0.920 32.597 31.700 -0.038 0.000 1.101 73 Q N -1.011 118.787 119.800 -0.004 0.000 2.416 73 Q HA 0.365 4.694 4.340 -0.019 0.000 0.281 73 Q C -0.966 175.100 176.000 0.110 0.000 1.067 73 Q CA -0.672 55.143 55.803 0.020 0.000 0.809 73 Q CB 2.640 31.400 28.738 0.037 0.000 1.418 73 Q HN 0.440 nan 8.270 nan 0.000 0.411 74 E N 1.606 121.884 120.200 0.131 0.000 2.151 74 E HA 0.523 4.861 4.350 -0.019 0.000 0.275 74 E C -1.514 175.218 176.600 0.221 0.000 0.936 74 E CA -0.543 56.033 56.400 0.292 0.000 0.777 74 E CB 1.402 31.289 29.700 0.312 0.000 1.108 74 E HN 0.311 nan 8.360 nan 0.000 0.401 75 V N 3.015 123.073 119.914 0.241 0.000 2.789 75 V HA 0.389 4.498 4.120 -0.019 0.000 0.311 75 V C -0.270 175.915 176.094 0.153 0.000 1.073 75 V CA -0.822 61.573 62.300 0.158 0.000 0.921 75 V CB 2.055 33.949 31.823 0.119 0.000 1.009 75 V HN 0.738 nan 8.190 nan 0.000 0.426 76 T N 3.479 118.103 114.554 0.116 0.000 2.824 76 T HA 0.754 5.093 4.350 -0.019 0.000 0.282 76 T C -0.883 173.868 174.700 0.086 0.000 0.993 76 T CA -0.331 61.832 62.100 0.106 0.000 0.967 76 T CB 1.242 70.163 68.868 0.089 0.000 0.960 76 T HN 1.040 nan 8.240 nan 0.000 0.441 77 V N 2.054 122.027 119.914 0.098 0.000 3.001 77 V HA 0.897 5.006 4.120 -0.019 0.000 0.314 77 V C -0.249 175.900 176.094 0.091 0.000 1.099 77 V CA -0.943 61.402 62.300 0.075 0.000 0.989 77 V CB 1.876 33.728 31.823 0.048 0.000 1.040 77 V HN 0.838 nan 8.190 nan 0.000 0.434 78 S N 1.255 116.991 115.700 0.059 0.000 2.448 78 S HA 0.417 4.875 4.470 -0.019 0.000 0.320 78 S C 0.743 175.369 174.600 0.042 0.000 1.071 78 S CA -0.062 58.173 58.200 0.059 0.000 1.113 78 S CB 0.938 64.158 63.200 0.032 0.000 0.972 78 S HN 1.846 nan 8.310 nan 0.000 0.465 79 V N 3.698 123.650 119.914 0.062 0.000 2.809 79 V HA 0.010 4.119 4.120 -0.019 0.000 0.256 79 V C 1.905 178.001 176.094 0.003 0.000 1.080 79 V CA 1.812 64.112 62.300 0.000 0.000 1.102 79 V CB -1.608 30.194 31.823 -0.035 0.000 0.705 79 V HN 0.776 nan 8.190 nan 0.000 0.475 80 T N 1.568 116.134 114.554 0.021 0.000 2.770 80 T HA -0.049 4.290 4.350 -0.019 0.000 0.263 80 T C 1.676 176.377 174.700 0.002 0.000 1.039 80 T CA 1.869 63.974 62.100 0.009 0.000 1.142 80 T CB -0.375 68.498 68.868 0.009 0.000 0.868 80 T HN 0.579 nan 8.240 nan 0.000 0.435 81 N N 0.440 119.142 118.700 0.005 0.000 2.353 81 N HA 0.140 4.869 4.740 -0.019 0.000 0.185 81 N C 1.332 176.842 175.510 -0.001 0.000 1.098 81 N CA 0.604 53.655 53.050 0.002 0.000 0.872 81 N CB 0.363 38.852 38.487 0.004 0.000 0.970 81 N HN 0.509 nan 8.380 nan 0.000 0.467 82 G N 1.762 110.560 108.800 -0.004 0.000 2.249 82 G HA2 -0.275 3.674 3.960 -0.019 0.000 0.273 82 G HA3 -0.275 3.674 3.960 -0.019 0.000 0.273 82 G C 0.185 175.083 174.900 -0.004 0.000 1.036 82 G CA 1.090 46.184 45.100 -0.010 0.000 0.824 82 G HN 0.527 nan 8.290 nan 0.000 0.504 83 T N -3.754 110.803 114.554 0.004 0.000 2.916 83 T HA 0.700 5.039 4.350 -0.019 0.000 0.292 83 T C -0.265 174.444 174.700 0.016 0.000 1.064 83 T CA -0.611 61.494 62.100 0.008 0.000 1.011 83 T CB 2.730 71.603 68.868 0.009 0.000 1.152 83 T HN 0.735 nan 8.240 nan 0.000 0.510 84 V N 3.040 122.965 119.914 0.018 0.000 2.385 84 V HA 0.220 4.329 4.120 -0.019 0.000 0.269 84 V C 0.929 177.040 176.094 0.028 0.000 1.043 84 V CA -0.446 61.870 62.300 0.027 0.000 0.906 84 V CB 0.309 32.147 31.823 0.025 0.000 0.995 84 V HN 0.836 nan 8.190 nan 0.000 0.467 85 I N 3.698 124.289 120.570 0.035 0.000 2.233 85 I HA -0.026 4.133 4.170 -0.019 0.000 0.243 85 I C 1.105 177.242 176.117 0.032 0.000 1.093 85 I CA 1.204 62.522 61.300 0.031 0.000 1.380 85 I CB -0.063 37.957 38.000 0.034 0.000 1.067 85 I HN 0.803 nan 8.210 nan 0.000 0.413 86 S N -0.636 115.089 115.700 0.043 0.000 2.537 86 S HA 0.853 5.312 4.470 -0.019 0.000 0.271 86 S C -0.938 173.695 174.600 0.056 0.000 1.148 86 S CA -0.473 57.753 58.200 0.044 0.000 0.868 86 S CB 1.723 64.950 63.200 0.044 0.000 1.115 86 S HN 0.281 nan 8.310 nan 0.000 0.461 87 A N 1.487 124.336 122.820 0.048 0.000 2.402 87 A HA 0.779 5.088 4.320 -0.019 0.000 0.291 87 A C -0.485 177.123 177.584 0.041 0.000 1.051 87 A CA -0.489 51.580 52.037 0.053 0.000 0.716 87 A CB 1.136 20.161 19.000 0.043 0.000 1.223 87 A HN 2.110 nan 8.150 nan 0.000 0.425 88 V N 0.148 120.090 119.914 0.046 0.000 2.604 88 V HA 0.693 4.802 4.120 -0.019 0.000 0.305 88 V C -0.195 175.898 176.094 -0.002 0.000 1.043 88 V CA -0.733 61.580 62.300 0.021 0.000 0.888 88 V CB 1.569 33.407 31.823 0.026 0.000 0.995 88 V HN 0.929 nan 8.190 nan 0.000 0.429 89 E N 3.568 123.755 120.200 -0.022 0.000 2.316 89 E HA 0.459 4.798 4.350 -0.019 0.000 0.275 89 E C -1.061 175.488 176.600 -0.086 0.000 1.029 89 E CA -0.512 55.860 56.400 -0.046 0.000 0.871 89 E CB 1.064 30.741 29.700 -0.039 0.000 1.022 89 E HN 0.772 nan 8.360 nan 0.000 0.418 90 L N 3.829 124.969 121.223 -0.139 0.000 2.307 90 L HA 0.249 4.578 4.340 -0.019 0.000 0.282 90 L C 0.080 176.828 176.870 -0.203 0.000 1.051 90 L CA -0.629 54.071 54.840 -0.232 0.000 0.804 90 L CB 1.199 43.004 42.059 -0.422 0.000 1.197 90 L HN 0.517 nan 8.230 nan 0.000 0.431 91 D N 1.331 121.614 120.400 -0.195 0.000 2.499 91 D HA 0.054 4.683 4.640 -0.019 0.000 0.225 91 D C 1.345 177.537 176.300 -0.180 0.000 1.124 91 D CA -0.273 53.639 54.000 -0.146 0.000 0.938 91 D CB 1.041 41.781 40.800 -0.100 0.000 1.014 91 D HN 0.679 nan 8.370 nan 0.000 0.517 92 T N 0.367 114.802 114.554 -0.199 0.000 2.778 92 T HA -0.212 4.127 4.350 -0.019 0.000 0.269 92 T C 1.878 176.506 174.700 -0.120 0.000 1.050 92 T CA 1.150 63.125 62.100 -0.208 0.000 1.137 92 T CB -0.176 68.587 68.868 -0.175 0.000 0.860 92 T HN 0.238 nan 8.240 nan 0.000 0.468 93 A N 1.179 123.950 122.820 -0.081 0.000 2.070 93 A HA 0.394 4.703 4.320 -0.019 0.000 0.220 93 A C 2.590 180.158 177.584 -0.026 0.000 1.159 93 A CA 1.737 53.747 52.037 -0.045 0.000 0.656 93 A CB -0.984 17.993 19.000 -0.038 0.000 0.800 93 A HN 0.818 nan 8.150 nan 0.000 0.453 94 A N -1.100 121.696 122.820 -0.041 0.000 1.944 94 A HA 0.160 4.469 4.320 -0.019 0.000 0.209 94 A C 2.173 179.777 177.584 0.034 0.000 1.328 94 A CA 1.581 53.614 52.037 -0.006 0.000 0.693 94 A CB -0.751 18.232 19.000 -0.029 0.000 0.994 94 A HN 0.653 nan 8.150 nan 0.000 0.485 95 T N -2.936 111.557 114.554 -0.103 0.000 3.129 95 T HA 0.462 4.801 4.350 -0.019 0.000 0.251 95 T C 0.880 175.281 174.700 -0.498 0.000 1.117 95 T CA 0.888 62.838 62.100 -0.251 0.000 1.034 95 T CB -0.228 68.491 68.868 -0.249 0.000 0.968 95 T HN 1.936 nan 8.240 nan 0.000 0.526 96 G N 0.742 109.384 108.800 -0.263 0.000 2.617 96 G HA2 0.062 4.011 3.960 -0.019 0.000 0.686 96 G HA3 0.062 4.011 3.960 -0.019 0.000 0.686 96 G C -1.121 173.630 174.900 -0.248 0.000 1.214 96 G CA -1.060 43.926 45.100 -0.189 0.000 0.796 96 G HN 0.228 nan 8.290 nan 0.000 0.654 97 E N -0.022 120.101 120.200 -0.130 0.000 2.345 97 E HA 0.508 4.847 4.350 -0.019 0.000 0.259 97 E C 1.125 177.671 176.600 -0.090 0.000 1.117 97 E CA -0.491 55.830 56.400 -0.132 0.000 0.913 97 E CB 0.970 30.623 29.700 -0.079 0.000 1.057 97 E HN 0.498 nan 8.360 nan 0.000 0.432 98 L N 1.730 122.908 121.223 -0.076 0.000 2.466 98 L HA 0.230 4.559 4.340 -0.019 0.000 0.257 98 L C -1.936 174.951 176.870 0.030 0.000 1.189 98 L CA -1.821 53.041 54.840 0.036 0.000 0.813 98 L CB -0.224 41.876 42.059 0.068 0.000 1.118 98 L HN 0.151 nan 8.230 nan 0.000 0.471 99 P HA -0.022 nan 4.420 nan 0.000 0.268 99 P C -0.636 176.666 177.300 0.003 0.000 1.208 99 P CA -0.247 62.882 63.100 0.050 0.000 0.777 99 P CB 0.380 32.154 31.700 0.124 0.000 0.875 100 V N 3.521 123.417 119.914 -0.031 0.000 2.655 100 V HA -0.022 4.087 4.120 -0.019 0.000 0.300 100 V C 0.739 176.904 176.094 0.119 0.000 1.044 100 V CA 0.250 62.561 62.300 0.017 0.000 1.095 100 V CB -0.339 31.478 31.823 -0.009 0.000 0.952 100 V HN 0.310 nan 8.190 nan 0.000 0.485 101 L N 3.410 124.676 121.223 0.072 0.000 2.334 101 L HA 0.323 4.652 4.340 -0.019 0.000 0.277 101 L C 1.565 178.435 176.870 0.000 0.000 1.075 101 L CA -0.135 54.719 54.840 0.022 0.000 0.804 101 L CB 0.941 42.977 42.059 -0.038 0.000 1.174 101 L HN 0.749 nan 8.230 nan 0.000 0.438 102 E N 1.871 121.968 120.200 -0.172 0.000 2.160 102 E HA -0.238 4.101 4.350 -0.019 0.000 0.195 102 E C 1.464 177.891 176.600 -0.288 0.000 0.991 102 E CA 1.598 57.667 56.400 -0.553 0.000 0.810 102 E CB 0.280 29.809 29.700 -0.284 0.000 0.742 102 E HN 0.788 nan 8.360 nan 0.000 0.466 103 E N -0.060 120.090 120.200 -0.083 0.000 2.418 103 E HA -0.158 4.180 4.350 -0.019 0.000 0.197 103 E C 1.305 177.965 176.600 0.100 0.000 1.026 103 E CA 0.777 57.188 56.400 0.019 0.000 0.862 103 E CB 0.007 29.717 29.700 0.017 0.000 0.799 103 E HN 0.347 nan 8.360 nan 0.000 0.518 104 E N -0.205 120.086 120.200 0.152 0.000 2.447 104 E HA -0.002 4.337 4.350 -0.019 0.000 0.195 104 E C 1.040 177.840 176.600 0.333 0.000 1.028 104 E CA -0.091 56.431 56.400 0.203 0.000 0.876 104 E CB -0.013 29.783 29.700 0.160 0.000 0.885 104 E HN 0.190 nan 8.360 nan 0.000 0.500 105 F N 2.470 122.481 119.950 0.101 0.000 2.043 105 F HA -0.241 4.274 4.527 -0.019 0.000 0.297 105 F C 2.414 178.263 175.800 0.081 0.000 1.121 105 F CA 1.801 59.870 58.000 0.115 0.000 1.199 105 F CB -0.929 38.153 39.000 0.136 0.000 0.968 105 F HN 0.132 nan 8.300 nan 0.000 0.478 106 E N -0.228 120.142 120.200 0.284 0.000 2.338 106 E HA -0.098 4.241 4.350 -0.019 0.000 0.197 106 E C 2.021 178.679 176.600 0.097 0.000 1.007 106 E CA 1.146 57.641 56.400 0.159 0.000 0.849 106 E CB -0.720 29.061 29.700 0.134 0.000 0.774 106 E HN 0.233 nan 8.360 nan 0.000 0.506 107 V N 1.513 121.488 119.914 0.101 0.000 2.332 107 V HA -0.282 3.827 4.120 -0.019 0.000 0.248 107 V C 2.447 178.542 176.094 0.002 0.000 1.055 107 V CA 1.610 63.943 62.300 0.054 0.000 1.038 107 V CB -0.352 31.509 31.823 0.063 0.000 0.651 107 V HN 0.232 nan 8.190 nan 0.000 0.450 108 V N -0.094 119.817 119.914 -0.005 0.000 2.233 108 V HA -0.340 3.769 4.120 -0.019 0.000 0.247 108 V C 2.447 178.452 176.094 -0.149 0.000 1.050 108 V CA 2.529 64.780 62.300 -0.083 0.000 1.010 108 V CB -0.658 31.123 31.823 -0.069 0.000 0.637 108 V HN 0.661 nan 8.190 nan 0.000 0.444 109 E N -0.325 119.821 120.200 -0.089 0.000 2.077 109 E HA -0.278 4.061 4.350 -0.019 0.000 0.193 109 E C 2.305 178.854 176.600 -0.085 0.000 0.989 109 E CA 1.570 57.913 56.400 -0.095 0.000 0.800 109 E CB -0.085 29.614 29.700 -0.002 0.000 0.746 109 E HN 0.703 nan 8.360 nan 0.000 0.452 110 Q N 0.130 119.906 119.800 -0.039 0.000 2.050 110 Q HA -0.167 4.162 4.340 -0.019 0.000 0.202 110 Q C 2.473 178.444 176.000 -0.048 0.000 0.980 110 Q CA 1.382 57.173 55.803 -0.021 0.000 0.840 110 Q CB -0.097 28.646 28.738 0.008 0.000 0.898 110 Q HN 0.368 nan 8.270 nan 0.000 0.424 111 L N 0.293 121.469 121.223 -0.078 0.000 2.027 111 L HA -0.185 4.144 4.340 -0.019 0.000 0.206 111 L C 2.333 179.117 176.870 -0.144 0.000 1.074 111 L CA 0.900 55.686 54.840 -0.089 0.000 0.745 111 L CB -0.393 41.612 42.059 -0.090 0.000 0.898 111 L HN 0.247 nan 8.230 nan 0.000 0.433 112 L N -0.263 120.786 121.223 -0.289 0.000 2.191 112 L HA -0.178 4.151 4.340 -0.019 0.000 0.212 112 L C 2.791 179.530 176.870 -0.218 0.000 1.103 112 L CA 0.873 55.411 54.840 -0.503 0.000 0.769 112 L CB -0.705 40.584 42.059 -1.283 0.000 0.908 112 L HN 0.246 nan 8.230 nan 0.000 0.438 113 A N -0.159 122.609 122.820 -0.086 0.000 2.076 113 A HA -0.190 4.119 4.320 -0.019 0.000 0.220 113 A C 2.142 179.778 177.584 0.087 0.000 1.160 113 A CA 2.121 54.203 52.037 0.076 0.000 0.653 113 A CB -0.686 18.344 19.000 0.050 0.000 0.801 113 A HN 0.527 nan 8.150 nan 0.000 0.455 114 T N -3.724 110.854 114.554 0.041 0.000 3.085 114 T HA 0.167 4.506 4.350 -0.019 0.000 0.264 114 T C 0.131 174.861 174.700 0.049 0.000 1.019 114 T CA 0.037 62.164 62.100 0.044 0.000 0.910 114 T CB -0.069 68.812 68.868 0.022 0.000 1.059 114 T HN 0.341 nan 8.240 nan 0.000 0.542 115 D N 1.624 122.062 120.400 0.065 0.000 2.295 115 D HA 0.126 4.755 4.640 -0.019 0.000 0.248 115 D C 0.654 177.024 176.300 0.116 0.000 1.154 115 D CA -0.081 53.962 54.000 0.073 0.000 0.857 115 D CB 1.379 42.211 40.800 0.053 0.000 1.117 115 D HN 0.305 nan 8.370 nan 0.000 0.468 116 E N 2.823 123.066 120.200 0.072 0.000 2.118 116 E HA -0.211 4.128 4.350 -0.019 0.000 0.195 116 E C 1.864 178.503 176.600 0.065 0.000 0.992 116 E CA 1.088 57.524 56.400 0.059 0.000 0.804 116 E CB 0.297 30.017 29.700 0.033 0.000 0.741 116 E HN 0.469 nan 8.360 nan 0.000 0.458 117 R N 0.101 120.646 120.500 0.075 0.000 2.081 117 R HA -0.128 4.200 4.340 -0.019 0.000 0.235 117 R C 2.232 178.597 176.300 0.110 0.000 1.131 117 R CA 1.413 57.554 56.100 0.068 0.000 0.960 117 R CB -0.371 29.965 30.300 0.059 0.000 0.856 117 R HN 0.407 nan 8.270 nan 0.000 0.436 118 W N 1.575 122.850 121.300 -0.042 0.000 2.355 118 W HA -0.153 4.496 4.660 -0.019 0.000 0.309 118 W C 1.494 177.995 176.519 -0.031 0.000 1.206 118 W CA 1.285 58.606 57.345 -0.041 0.000 1.284 118 W CB -0.159 29.279 29.460 -0.037 0.000 1.145 118 W HN 0.085 nan 8.180 nan 0.000 0.502 119 L N 0.791 122.086 121.223 0.121 0.000 2.083 119 L HA -0.258 4.071 4.340 -0.019 0.000 0.209 119 L C 2.621 179.450 176.870 -0.069 0.000 1.083 119 L CA 1.756 56.602 54.840 0.010 0.000 0.752 119 L CB -0.953 41.144 42.059 0.062 0.000 0.899 119 L HN -0.079 nan 8.230 nan 0.000 0.433 120 K N 0.379 120.752 120.400 -0.045 0.000 2.097 120 K HA -0.155 4.154 4.320 -0.019 0.000 0.205 120 K C 2.131 178.665 176.600 -0.110 0.000 1.050 120 K CA 1.173 57.424 56.287 -0.060 0.000 0.938 120 K CB -0.017 32.463 32.500 -0.033 0.000 0.718 120 K HN 0.265 nan 8.250 nan 0.000 0.442 121 A N 1.215 123.934 122.820 -0.167 0.000 1.898 121 A HA -0.079 4.230 4.320 -0.019 0.000 0.216 121 A C 2.052 179.466 177.584 -0.282 0.000 1.181 121 A CA 1.063 52.962 52.037 -0.231 0.000 0.620 121 A CB -0.472 18.337 19.000 -0.319 0.000 0.819 121 A HN 0.292 nan 8.150 nan 0.000 0.442 122 L N -0.914 120.093 121.223 -0.359 0.000 2.109 122 L HA -0.134 4.195 4.340 -0.019 0.000 0.207 122 L C 3.062 179.829 176.870 -0.171 0.000 1.086 122 L CA 0.944 55.599 54.840 -0.308 0.000 0.760 122 L CB -0.601 41.261 42.059 -0.329 0.000 0.910 122 L HN 0.432 nan 8.230 nan 0.000 0.437 123 A N 0.318 123.060 122.820 -0.131 0.000 1.933 123 A HA -0.132 4.177 4.320 -0.019 0.000 0.218 123 A C 2.513 180.051 177.584 -0.077 0.000 1.175 123 A CA 1.569 53.556 52.037 -0.083 0.000 0.628 123 A CB -0.596 18.368 19.000 -0.061 0.000 0.814 123 A HN 0.383 nan 8.150 nan 0.000 0.444 124 A N -0.423 122.344 122.820 -0.089 0.000 2.070 124 A HA -0.108 4.200 4.320 -0.019 0.000 0.220 124 A C 2.060 179.601 177.584 -0.072 0.000 1.159 124 A CA 1.399 53.392 52.037 -0.074 0.000 0.656 124 A CB -0.309 18.645 19.000 -0.077 0.000 0.800 124 A HN 0.553 nan 8.150 nan 0.000 0.453 125 R N -0.850 119.597 120.500 -0.089 0.000 2.432 125 R HA 0.123 4.452 4.340 -0.019 0.000 0.260 125 R C -0.307 175.952 176.300 -0.067 0.000 0.935 125 R CA 0.089 56.143 56.100 -0.078 0.000 1.080 125 R CB 0.200 30.441 30.300 -0.099 0.000 1.155 125 R HN 0.434 nan 8.270 nan 0.000 0.531 126 N N 1.035 119.696 118.700 -0.065 0.000 2.735 126 N HA -0.182 4.547 4.740 -0.019 0.000 0.248 126 N C -0.990 174.488 175.510 -0.055 0.000 1.083 126 N CA 0.987 54.006 53.050 -0.052 0.000 0.703 126 N CB -1.326 37.137 38.487 -0.039 0.000 1.005 126 N HN 0.286 nan 8.380 nan 0.000 0.550 127 L N 0.204 121.384 121.223 -0.072 0.000 2.307 127 L HA 0.350 4.679 4.340 -0.019 0.000 0.284 127 L C 0.584 177.421 176.870 -0.054 0.000 1.023 127 L CA -0.896 53.903 54.840 -0.069 0.000 0.810 127 L CB 1.496 43.496 42.059 -0.097 0.000 1.231 127 L HN -0.095 nan 8.230 nan 0.000 0.423 128 D N 2.022 122.403 120.400 -0.032 0.000 2.325 128 D HA 0.026 4.655 4.640 -0.019 0.000 0.251 128 D C 0.804 177.106 176.300 0.004 0.000 1.196 128 D CA -0.054 53.939 54.000 -0.012 0.000 0.866 128 D CB 1.828 42.626 40.800 -0.003 0.000 1.101 128 D HN 0.285 nan 8.370 nan 0.000 0.476 129 V N 3.959 123.885 119.914 0.020 0.000 2.453 129 V HA -0.276 3.832 4.120 -0.019 0.000 0.252 129 V C 2.025 178.162 176.094 0.072 0.000 1.068 129 V CA 3.017 65.357 62.300 0.066 0.000 1.070 129 V CB -0.611 31.270 31.823 0.096 0.000 0.664 129 V HN 0.752 nan 8.190 nan 0.000 0.461 130 S N -1.032 114.697 115.700 0.048 0.000 2.469 130 S HA -0.147 4.312 4.470 -0.019 0.000 0.238 130 S C 1.726 176.348 174.600 0.037 0.000 0.998 130 S CA 1.339 59.565 58.200 0.044 0.000 0.957 130 S CB -0.407 62.813 63.200 0.034 0.000 0.764 130 S HN 0.759 nan 8.310 nan 0.000 0.514 131 K N 0.673 121.090 120.400 0.030 0.000 2.373 131 K HA 0.306 4.615 4.320 -0.019 0.000 0.202 131 K C -0.791 175.821 176.600 0.020 0.000 1.025 131 K CA -0.077 56.220 56.287 0.016 0.000 1.115 131 K CB 1.025 33.527 32.500 0.003 0.000 0.858 131 K HN 0.210 nan 8.250 nan 0.000 0.525 132 V N 3.404 123.348 119.914 0.050 0.000 2.348 132 V HA 0.208 4.317 4.120 -0.019 0.000 0.270 132 V C 0.163 176.321 176.094 0.107 0.000 1.037 132 V CA -0.767 61.581 62.300 0.080 0.000 0.872 132 V CB 0.728 32.621 31.823 0.117 0.000 1.002 132 V HN 0.154 nan 8.190 nan 0.000 0.464 133 R N 3.358 123.903 120.500 0.075 0.000 2.459 133 R HA 0.611 4.940 4.340 -0.019 0.000 0.281 133 R C -0.773 175.608 176.300 0.135 0.000 1.050 133 R CA -0.454 55.681 56.100 0.058 0.000 1.055 133 R CB 1.772 32.044 30.300 -0.047 0.000 1.045 133 R HN 0.447 nan 8.270 nan 0.000 0.495 134 V N 1.888 121.873 119.914 0.118 0.000 2.483 134 V HA 0.396 4.505 4.120 -0.019 0.000 0.297 134 V C 0.029 176.203 176.094 0.133 0.000 1.027 134 V CA -1.196 61.194 62.300 0.151 0.000 0.855 134 V CB 1.711 33.565 31.823 0.051 0.000 0.995 134 V HN 0.862 nan 8.190 nan 0.000 0.424 135 A N 7.489 130.452 122.820 0.238 0.000 2.409 135 A HA 0.633 4.942 4.320 -0.019 0.000 0.267 135 A C -2.153 175.520 177.584 0.149 0.000 1.127 135 A CA -1.301 50.866 52.037 0.217 0.000 0.795 135 A CB 0.185 19.442 19.000 0.429 0.000 1.061 135 A HN 0.608 nan 8.150 nan 0.000 0.502 136 P HA 0.286 nan 4.420 nan 0.000 0.266 136 P C -0.916 176.410 177.300 0.042 0.000 1.586 136 P CA 0.209 63.288 63.100 -0.036 0.000 1.088 136 P CB 0.153 31.735 31.700 -0.197 0.000 1.584 137 L N 2.365 123.689 121.223 0.168 0.000 2.325 137 L HA 0.375 4.704 4.340 -0.019 0.000 0.279 137 L C 1.234 178.274 176.870 0.283 0.000 1.054 137 L CA -0.869 54.157 54.840 0.310 0.000 0.804 137 L CB 1.124 43.460 42.059 0.461 0.000 1.200 137 L HN 0.269 nan 8.230 nan 0.000 0.436 138 S N 1.035 116.967 115.700 0.387 0.000 2.563 138 S HA 0.191 4.650 4.470 -0.019 0.000 0.284 138 S C 0.887 175.642 174.600 0.259 0.000 1.331 138 S CA -0.096 58.249 58.200 0.242 0.000 1.047 138 S CB 1.380 64.755 63.200 0.293 0.000 0.859 138 S HN 0.748 nan 8.310 nan 0.000 0.514 139 A N 3.014 125.905 122.820 0.119 0.000 1.984 139 A HA 0.566 4.874 4.320 -0.019 0.000 0.214 139 A C 1.554 179.293 177.584 0.258 0.000 1.173 139 A CA 0.692 52.766 52.037 0.061 0.000 0.673 139 A CB -1.492 17.457 19.000 -0.085 0.000 0.830 139 A HN 2.338 nan 8.150 nan 0.000 0.453 140 G N -1.800 107.119 108.800 0.199 0.000 2.645 140 G HA2 -0.047 3.902 3.960 -0.019 0.000 0.239 140 G HA3 -0.047 3.902 3.960 -0.019 0.000 0.239 140 G C -0.419 174.423 174.900 -0.097 0.000 1.331 140 G CA -0.243 44.926 45.100 0.115 0.000 0.890 140 G HN 1.114 nan 8.290 nan 0.000 0.572 141 V N 1.019 120.643 119.914 -0.483 0.000 2.443 141 V HA 0.750 4.859 4.120 -0.019 0.000 0.293 141 V C -0.191 175.391 176.094 -0.854 0.000 1.021 141 V CA -0.318 61.713 62.300 -0.448 0.000 0.848 141 V CB 1.042 32.672 31.823 -0.321 0.000 0.998 141 V HN 0.703 nan 8.190 nan 0.000 0.424 142 F N 1.721 121.662 119.950 -0.014 0.000 3.248 142 F HA 0.449 4.965 4.527 -0.019 0.000 0.244 142 F C 1.482 177.174 175.800 -0.181 0.000 1.581 142 F CA -0.601 57.349 58.000 -0.083 0.000 0.959 142 F CB 0.390 39.345 39.000 -0.076 0.000 1.844 142 F HN 0.442 nan 8.300 nan 0.000 0.343 143 E N 0.560 120.662 120.200 -0.164 0.000 2.444 143 E HA -0.003 4.336 4.350 -0.019 0.000 0.191 143 E C -1.099 175.336 176.600 -0.276 0.000 1.041 143 E CA 0.160 56.415 56.400 -0.241 0.000 0.883 143 E CB -0.660 28.904 29.700 -0.227 0.000 1.024 143 E HN 0.487 nan 8.360 nan 0.000 0.470 144 Y N 1.142 121.495 120.300 0.088 0.000 2.556 144 Y HA 0.399 4.938 4.550 -0.019 0.000 0.352 144 Y C 1.597 177.518 175.900 0.035 0.000 1.006 144 Y CA -0.069 58.069 58.100 0.064 0.000 1.277 144 Y CB 0.889 39.384 38.460 0.058 0.000 1.136 144 Y HN 0.084 nan 8.280 nan 0.000 0.523 145 A N 2.870 125.775 122.820 0.141 0.000 1.908 145 A HA -0.220 4.089 4.320 -0.019 0.000 0.218 145 A C 2.203 179.834 177.584 0.080 0.000 1.181 145 A CA 1.816 53.902 52.037 0.082 0.000 0.627 145 A CB -0.322 18.713 19.000 0.058 0.000 0.818 145 A HN 0.774 nan 8.150 nan 0.000 0.445 146 E N 0.777 121.037 120.200 0.101 0.000 2.265 146 E HA -0.227 4.112 4.350 -0.019 0.000 0.196 146 E C 1.202 177.835 176.600 0.055 0.000 0.996 146 E CA 1.482 57.923 56.400 0.068 0.000 0.832 146 E CB -0.580 29.160 29.700 0.066 0.000 0.756 146 E HN 0.774 nan 8.360 nan 0.000 0.491 147 E N 0.779 121.025 120.200 0.075 0.000 2.418 147 E HA 0.001 4.340 4.350 -0.019 0.000 0.197 147 E C 0.216 176.828 176.600 0.021 0.000 1.026 147 E CA -0.124 56.301 56.400 0.043 0.000 0.862 147 E CB -0.043 29.693 29.700 0.060 0.000 0.799 147 E HN 0.205 nan 8.360 nan 0.000 0.518 148 R N 0.399 120.912 120.500 0.022 0.000 2.446 148 R HA 0.087 4.416 4.340 -0.019 0.000 0.314 148 R C 0.944 177.241 176.300 -0.004 0.000 1.003 148 R CA 0.693 56.795 56.100 0.004 0.000 1.018 148 R CB 0.195 30.497 30.300 0.004 0.000 0.945 148 R HN 0.259 nan 8.270 nan 0.000 0.419 149 G N 2.780 111.571 108.800 -0.015 0.000 2.179 149 G HA2 -0.328 3.621 3.960 -0.019 0.000 0.260 149 G HA3 -0.328 3.621 3.960 -0.019 0.000 0.260 149 G C 0.090 174.981 174.900 -0.015 0.000 0.977 149 G CA -0.135 44.953 45.100 -0.021 0.000 0.641 149 G HN 0.538 nan 8.290 nan 0.000 0.533 150 R N -0.170 120.324 120.500 -0.010 0.000 2.474 150 R HA 0.571 4.900 4.340 -0.019 0.000 0.295 150 R C 0.268 176.561 176.300 -0.013 0.000 0.980 150 R CA -0.891 55.205 56.100 -0.006 0.000 0.934 150 R CB 1.260 31.558 30.300 -0.003 0.000 1.101 150 R HN 0.168 nan 8.270 nan 0.000 0.469 151 R N 3.621 124.118 120.500 -0.004 0.000 2.248 151 R HA 0.217 4.545 4.340 -0.019 0.000 0.337 151 R C -0.485 175.802 176.300 -0.021 0.000 1.106 151 R CA -0.158 55.934 56.100 -0.013 0.000 0.959 151 R CB 0.251 30.557 30.300 0.010 0.000 1.075 151 R HN 0.435 nan 8.270 nan 0.000 0.480 152 I N 5.476 126.023 120.570 -0.039 0.000 2.562 152 I HA 0.409 4.567 4.170 -0.019 0.000 0.301 152 I C -0.098 175.980 176.117 -0.065 0.000 1.003 152 I CA -0.911 60.355 61.300 -0.058 0.000 1.127 152 I CB 1.774 39.720 38.000 -0.091 0.000 1.304 152 I HN 0.578 nan 8.210 nan 0.000 0.446 153 L N 4.851 126.031 121.223 -0.071 0.000 2.422 153 L HA 0.515 4.844 4.340 -0.019 0.000 0.264 153 L C -0.372 176.435 176.870 -0.106 0.000 0.984 153 L CA -0.756 54.046 54.840 -0.063 0.000 0.819 153 L CB 2.694 44.740 42.059 -0.022 0.000 1.330 153 L HN 0.524 nan 8.230 nan 0.000 0.410 154 R N 0.954 121.363 120.500 -0.151 0.000 2.532 154 R HA 0.686 5.015 4.340 -0.019 0.000 0.295 154 R C -0.177 176.100 176.300 -0.038 0.000 0.968 154 R CA -0.710 55.261 56.100 -0.215 0.000 0.916 154 R CB 2.017 31.845 30.300 -0.787 0.000 1.124 154 R HN 0.736 nan 8.270 nan 0.000 0.463 155 G N 2.473 111.274 108.800 0.002 0.000 2.461 155 G HA2 0.594 4.543 3.960 -0.019 0.000 0.323 155 G HA3 0.594 4.543 3.960 -0.019 0.000 0.323 155 G C -0.910 174.123 174.900 0.221 0.000 1.229 155 G CA -0.612 44.533 45.100 0.076 0.000 0.941 155 G HN 0.290 nan 8.290 nan 0.000 0.477 156 L N 1.387 122.800 121.223 0.317 0.000 2.365 156 L HA 0.699 5.028 4.340 -0.019 0.000 0.273 156 L C 0.467 177.430 176.870 0.155 0.000 1.000 156 L CA -1.006 54.005 54.840 0.285 0.000 0.819 156 L CB 2.185 44.491 42.059 0.412 0.000 1.284 156 L HN 0.638 nan 8.230 nan 0.000 0.418 157 A N 2.979 125.786 122.820 -0.022 0.000 2.303 157 A HA 0.857 5.166 4.320 -0.019 0.000 0.317 157 A C -1.188 176.038 177.584 -0.597 0.000 1.149 157 A CA -0.168 51.824 52.037 -0.074 0.000 0.822 157 A CB 0.522 19.581 19.000 0.099 0.000 1.131 157 A HN 0.505 nan 8.150 nan 0.000 0.493 158 F N 0.591 120.510 119.950 -0.052 0.000 2.581 158 F HA 0.442 4.957 4.527 -0.019 0.000 0.311 158 F C -0.161 175.586 175.800 -0.089 0.000 1.113 158 F CA -0.699 57.225 58.000 -0.127 0.000 0.935 158 F CB 2.275 41.072 39.000 -0.339 0.000 1.232 158 F HN 0.313 nan 8.300 nan 0.000 0.445 159 V N 2.551 122.541 119.914 0.127 0.000 2.465 159 V HA 0.329 4.438 4.120 -0.019 0.000 0.279 159 V C -0.366 175.770 176.094 0.071 0.000 1.045 159 V CA -0.541 61.795 62.300 0.060 0.000 0.938 159 V CB 1.415 33.233 31.823 -0.008 0.000 0.986 159 V HN 0.770 nan 8.190 nan 0.000 0.467 160 Q N 2.899 122.691 119.800 -0.013 0.000 2.381 160 Q HA 0.247 4.576 4.340 -0.019 0.000 0.263 160 Q C 0.060 176.004 176.000 -0.093 0.000 1.030 160 Q CA -0.626 55.130 55.803 -0.079 0.000 0.772 160 Q CB 1.288 29.953 28.738 -0.123 0.000 1.232 160 Q HN 0.769 nan 8.270 nan 0.000 0.476 161 D N 3.507 123.835 120.400 -0.120 0.000 2.178 161 D HA -0.030 4.599 4.640 -0.019 0.000 0.201 161 D C 0.148 176.550 176.300 0.170 0.000 0.980 161 D CA 1.309 55.320 54.000 0.019 0.000 0.842 161 D CB 0.121 41.009 40.800 0.147 0.000 0.948 161 D HN 0.446 nan 8.370 nan 0.000 0.472 162 F N -4.234 115.712 119.950 -0.007 0.000 2.686 162 F HA 0.403 4.919 4.527 -0.019 0.000 0.311 162 F C -2.407 173.385 175.800 -0.013 0.000 1.128 162 F CA -2.292 55.700 58.000 -0.013 0.000 0.946 162 F CB 0.496 39.483 39.000 -0.023 0.000 1.336 162 F HN -0.410 nan 8.300 nan 0.000 0.457 163 P HA -0.198 nan 4.420 nan 0.000 0.217 163 P C 0.384 177.672 177.300 -0.021 0.000 1.158 163 P CA 2.434 65.565 63.100 0.051 0.000 0.887 163 P CB 0.128 31.888 31.700 0.100 0.000 0.792 164 E N -1.464 118.765 120.200 0.049 0.000 2.444 164 E HA 0.048 4.387 4.350 -0.019 0.000 0.191 164 E C 0.012 176.433 176.600 -0.299 0.000 1.041 164 E CA -0.247 56.136 56.400 -0.027 0.000 0.883 164 E CB -0.210 29.569 29.700 0.132 0.000 1.024 164 E HN 0.304 nan 8.360 nan 0.000 0.470 165 D N 0.831 120.740 120.400 -0.817 0.000 2.345 165 D HA -0.007 4.622 4.640 -0.019 0.000 0.247 165 D C -0.480 175.575 176.300 -0.409 0.000 1.108 165 D CA 0.003 53.425 54.000 -0.963 0.000 0.894 165 D CB 1.143 41.083 40.800 -1.432 0.000 1.203 165 D HN -0.167 nan 8.370 nan 0.000 0.430 166 S N 2.622 118.166 115.700 -0.260 0.000 2.416 166 S HA 0.380 4.839 4.470 -0.019 0.000 0.302 166 S C 1.126 175.641 174.600 -0.142 0.000 1.120 166 S CA -0.212 57.915 58.200 -0.121 0.000 1.067 166 S CB 0.204 63.389 63.200 -0.025 0.000 1.057 166 S HN 0.514 nan 8.310 nan 0.000 0.518 167 A N 5.067 127.697 122.820 -0.317 0.000 2.070 167 A HA -0.035 4.274 4.320 -0.019 0.000 0.220 167 A C 1.434 178.826 177.584 -0.321 0.000 1.159 167 A CA 0.937 52.784 52.037 -0.317 0.000 0.656 167 A CB -0.741 17.980 19.000 -0.465 0.000 0.800 167 A HN 0.998 nan 8.150 nan 0.000 0.453 168 W N -0.186 121.039 121.300 -0.125 0.000 2.387 168 W HA -0.008 4.641 4.660 -0.018 0.000 0.272 168 W C 2.368 178.965 176.519 0.131 0.000 1.224 168 W CA 0.787 58.044 57.345 -0.147 0.000 1.210 168 W CB -0.150 29.236 29.460 -0.123 0.000 1.125 168 W HN 0.368 nan 8.180 nan 0.000 0.572 169 A N -0.713 122.256 122.820 0.249 0.000 2.167 169 A HA -0.050 4.259 4.320 -0.019 0.000 0.214 169 A C 0.566 177.990 177.584 -0.268 0.000 1.151 169 A CA 0.770 52.863 52.037 0.093 0.000 0.735 169 A CB -0.577 18.417 19.000 -0.010 0.000 0.802 169 A HN 0.322 nan 8.150 nan 0.000 0.467 170 H N -0.071 119.124 119.070 0.208 0.000 2.386 170 H HA 0.249 4.794 4.556 -0.018 0.000 0.232 170 H C -2.900 172.486 175.328 0.097 0.000 1.416 170 H CA -2.331 53.790 56.048 0.121 0.000 1.285 170 H CB -0.271 29.537 29.762 0.076 0.000 1.625 170 H HN 0.359 nan 8.280 nan 0.000 0.521 171 P HA 0.015 nan 4.420 nan 0.000 0.271 171 P C 0.283 177.452 177.300 -0.218 0.000 1.218 171 P CA -0.282 62.708 63.100 -0.183 0.000 0.780 171 P CB 1.983 33.618 31.700 -0.109 0.000 0.901 172 V N 3.377 123.067 119.914 -0.373 0.000 2.259 172 V HA 0.149 4.258 4.120 -0.019 0.000 0.267 172 V C 0.654 176.590 176.094 -0.263 0.000 1.051 172 V CA -0.312 61.843 62.300 -0.241 0.000 0.830 172 V CB 0.280 31.962 31.823 -0.235 0.000 1.080 172 V HN 0.541 nan 8.190 nan 0.000 0.467 173 D N 3.019 123.262 120.400 -0.263 0.000 2.358 173 D HA 0.381 5.010 4.640 -0.019 0.000 0.244 173 D C 1.312 177.403 176.300 -0.349 0.000 1.163 173 D CA 1.395 55.126 54.000 -0.448 0.000 0.945 173 D CB 1.732 42.018 40.800 -0.856 0.000 1.152 173 D HN 0.749 nan 8.370 nan 0.000 0.451 174 G N 0.302 108.857 108.800 -0.408 0.000 2.148 174 G HA2 -0.219 3.730 3.960 -0.019 0.000 0.254 174 G HA3 -0.219 3.730 3.960 -0.019 0.000 0.254 174 G C -0.119 174.775 174.900 -0.010 0.000 0.981 174 G CA 0.637 45.713 45.100 -0.041 0.000 0.670 174 G HN 0.479 nan 8.290 nan 0.000 0.528 175 L N -0.194 120.993 121.223 -0.060 0.000 2.436 175 L HA 0.921 5.250 4.340 -0.019 0.000 0.268 175 L C -0.731 176.182 176.870 0.071 0.000 0.974 175 L CA -1.080 53.737 54.840 -0.037 0.000 0.826 175 L CB 2.388 44.346 42.059 -0.168 0.000 1.291 175 L HN 0.643 nan 8.230 nan 0.000 0.406 176 V N 3.832 123.822 119.914 0.125 0.000 3.077 176 V HA 0.982 5.091 4.120 -0.019 0.000 0.299 176 V C -1.466 174.655 176.094 0.045 0.000 1.276 176 V CA 0.329 62.738 62.300 0.180 0.000 0.993 176 V CB 2.126 34.086 31.823 0.228 0.000 1.076 176 V HN 1.239 nan 8.190 nan 0.000 0.434 177 A N 4.572 127.399 122.820 0.011 0.000 2.475 177 A HA 0.952 5.261 4.320 -0.019 0.000 0.301 177 A C -2.113 175.404 177.584 -0.112 0.000 1.059 177 A CA -0.459 51.467 52.037 -0.187 0.000 0.710 177 A CB 1.762 20.672 19.000 -0.150 0.000 1.288 177 A HN 0.858 nan 8.150 nan 0.000 0.408 178 Y N 0.236 120.392 120.300 -0.240 0.000 2.377 178 Y HA 0.641 5.180 4.550 -0.018 0.000 0.339 178 Y C -0.063 175.712 175.900 -0.208 0.000 1.011 178 Y CA -1.677 56.257 58.100 -0.277 0.000 1.093 178 Y CB 1.721 39.972 38.460 -0.348 0.000 1.201 178 Y HN 0.382 nan 8.280 nan 0.000 0.455 179 V N 2.722 122.624 119.914 -0.020 0.000 2.709 179 V HA 0.252 4.361 4.120 -0.019 0.000 0.308 179 V C -0.771 175.301 176.094 -0.037 0.000 1.062 179 V CA -1.080 61.189 62.300 -0.051 0.000 0.901 179 V CB 2.330 34.101 31.823 -0.087 0.000 1.003 179 V HN 0.677 nan 8.190 nan 0.000 0.425 180 D N 3.024 123.408 120.400 -0.026 0.000 2.380 180 D HA 0.163 4.792 4.640 -0.019 0.000 0.230 180 D C 1.014 177.312 176.300 -0.003 0.000 1.154 180 D CA -0.197 53.795 54.000 -0.013 0.000 0.859 180 D CB 1.897 42.693 40.800 -0.006 0.000 1.045 180 D HN 0.458 nan 8.370 nan 0.000 0.495 181 V N 2.313 122.230 119.914 0.005 0.000 3.141 181 V HA -0.075 4.034 4.120 -0.019 0.000 0.265 181 V C 1.552 177.675 176.094 0.048 0.000 1.126 181 V CA 0.597 62.912 62.300 0.024 0.000 1.141 181 V CB -0.279 31.562 31.823 0.031 0.000 0.743 181 V HN 0.370 nan 8.190 nan 0.000 0.492 182 V N 1.386 121.330 119.914 0.051 0.000 2.581 182 V HA -0.040 4.069 4.120 -0.019 0.000 0.240 182 V C 2.760 178.876 176.094 0.037 0.000 1.054 182 V CA 1.763 64.103 62.300 0.067 0.000 1.076 182 V CB 0.137 32.008 31.823 0.081 0.000 0.748 182 V HN 0.726 nan 8.190 nan 0.000 0.474 183 S N -1.046 114.668 115.700 0.023 0.000 2.561 183 S HA -0.031 4.428 4.470 -0.019 0.000 0.225 183 S C 0.897 175.503 174.600 0.009 0.000 0.977 183 S CA 0.249 58.456 58.200 0.013 0.000 0.926 183 S CB -0.245 62.959 63.200 0.007 0.000 0.769 183 S HN 0.407 nan 8.310 nan 0.000 0.533 184 K N 1.109 121.515 120.400 0.010 0.000 3.244 184 K HA -0.128 4.181 4.320 -0.019 0.000 0.270 184 K C -0.860 175.734 176.600 -0.009 0.000 1.016 184 K CA 0.862 57.150 56.287 0.002 0.000 0.754 184 K CB -2.028 30.477 32.500 0.008 0.000 1.326 184 K HN 0.771 nan 8.250 nan 0.000 0.465 185 E N -0.807 119.384 120.200 -0.015 0.000 2.266 185 E HA 0.440 4.779 4.350 -0.019 0.000 0.268 185 E C -0.705 175.873 176.600 -0.035 0.000 0.879 185 E CA -1.205 55.183 56.400 -0.020 0.000 0.762 185 E CB 2.195 31.888 29.700 -0.012 0.000 1.199 185 E HN -0.044 nan 8.360 nan 0.000 0.422 186 V N 3.043 122.930 119.914 -0.045 0.000 2.334 186 V HA 0.022 4.131 4.120 -0.019 0.000 0.267 186 V C 1.338 177.402 176.094 -0.051 0.000 1.040 186 V CA 0.077 62.337 62.300 -0.066 0.000 0.866 186 V CB 0.504 32.279 31.823 -0.080 0.000 1.019 186 V HN 0.951 nan 8.190 nan 0.000 0.468 187 T N 2.926 117.454 114.554 -0.043 0.000 2.812 187 T HA 0.079 4.418 4.350 -0.019 0.000 0.264 187 T C 0.811 175.468 174.700 -0.071 0.000 1.042 187 T CA 0.652 62.732 62.100 -0.033 0.000 1.140 187 T CB 0.199 69.065 68.868 -0.003 0.000 0.870 187 T HN 0.552 nan 8.240 nan 0.000 0.445 188 R N -0.521 119.889 120.500 -0.149 0.000 2.707 188 R HA 0.679 5.008 4.340 -0.019 0.000 0.272 188 R C -2.115 173.985 176.300 -0.333 0.000 1.011 188 R CA -0.804 55.136 56.100 -0.266 0.000 0.893 188 R CB 2.805 32.846 30.300 -0.430 0.000 1.233 188 R HN 0.040 nan 8.270 nan 0.000 0.464 189 V N 3.924 123.702 119.914 -0.227 0.000 2.447 189 V HA 0.387 4.496 4.120 -0.019 0.000 0.292 189 V C -0.583 175.429 176.094 -0.137 0.000 1.021 189 V CA -0.738 61.489 62.300 -0.122 0.000 0.850 189 V CB 1.750 33.593 31.823 0.034 0.000 1.005 189 V HN 0.541 nan 8.190 nan 0.000 0.426 190 I N 3.916 124.382 120.570 -0.174 0.000 2.339 190 I HA 0.492 4.651 4.170 -0.019 0.000 0.290 190 I C -0.376 175.717 176.117 -0.039 0.000 0.994 190 I CA -0.115 61.117 61.300 -0.113 0.000 1.191 190 I CB 1.630 39.547 38.000 -0.139 0.000 1.343 190 I HN 0.567 nan 8.210 nan 0.000 0.458 191 D N 4.693 125.079 120.400 -0.023 0.000 2.469 191 D HA 0.216 4.845 4.640 -0.019 0.000 0.251 191 D C 0.792 177.103 176.300 0.018 0.000 1.173 191 D CA -0.218 53.775 54.000 -0.011 0.000 0.882 191 D CB 1.569 42.349 40.800 -0.035 0.000 1.129 191 D HN 0.626 nan 8.370 nan 0.000 0.549 192 T N 0.384 114.972 114.554 0.057 0.000 3.107 192 T HA 0.500 4.839 4.350 -0.019 0.000 0.249 192 T C 0.882 175.642 174.700 0.099 0.000 1.096 192 T CA 0.230 62.380 62.100 0.084 0.000 1.012 192 T CB 0.231 69.171 68.868 0.119 0.000 0.977 192 T HN 0.579 nan 8.240 nan 0.000 0.527 193 G N 0.206 109.063 108.800 0.095 0.000 2.317 193 G HA2 0.276 4.225 3.960 -0.019 0.000 0.445 193 G HA3 0.276 4.225 3.960 -0.019 0.000 0.445 193 G C -1.310 173.647 174.900 0.096 0.000 1.486 193 G CA -0.802 44.322 45.100 0.040 0.000 0.991 193 G HN 0.288 nan 8.290 nan 0.000 0.660 194 V N 1.301 121.206 119.914 -0.015 0.000 2.455 194 V HA 0.545 4.654 4.120 -0.019 0.000 0.273 194 V C -0.102 175.973 176.094 -0.032 0.000 1.045 194 V CA 0.121 62.428 62.300 0.013 0.000 0.976 194 V CB 0.358 32.157 31.823 -0.041 0.000 0.993 194 V HN 0.500 nan 8.190 nan 0.000 0.475 195 F N 5.401 125.312 119.950 -0.065 0.000 2.480 195 F HA 0.569 5.085 4.527 -0.019 0.000 0.329 195 F C -1.835 173.937 175.800 -0.046 0.000 1.091 195 F CA -2.653 55.316 58.000 -0.053 0.000 0.972 195 F CB 1.338 40.304 39.000 -0.056 0.000 1.150 195 F HN 0.334 nan 8.300 nan 0.000 0.467 196 P HA 0.123 nan 4.420 nan 0.000 0.268 196 P C -0.909 176.449 177.300 0.096 0.000 1.204 196 P CA -0.142 63.005 63.100 0.079 0.000 0.768 196 P CB 0.556 32.292 31.700 0.059 0.000 0.842 197 V N 6.764 126.715 119.914 0.061 0.000 2.432 197 V HA 0.163 4.272 4.120 -0.019 0.000 0.271 197 V C -1.844 174.311 176.094 0.102 0.000 1.046 197 V CA -1.543 60.795 62.300 0.064 0.000 0.945 197 V CB 0.473 32.315 31.823 0.032 0.000 0.992 197 V HN 0.579 nan 8.190 nan 0.000 0.471 198 P HA 0.015 nan 4.420 nan 0.000 0.260 198 P C 0.469 177.927 177.300 0.264 0.000 1.172 198 P CA 0.390 63.575 63.100 0.141 0.000 0.760 198 P CB 0.748 32.495 31.700 0.078 0.000 0.773 199 A N 3.681 126.617 122.820 0.192 0.000 1.943 199 A HA -0.034 4.275 4.320 -0.019 0.000 0.213 199 A C 0.854 178.620 177.584 0.304 0.000 1.181 199 A CA 0.578 52.740 52.037 0.208 0.000 0.653 199 A CB -0.503 18.566 19.000 0.114 0.000 0.833 199 A HN 0.559 nan 8.150 nan 0.000 0.451 200 E N 0.617 120.949 120.200 0.220 0.000 2.442 200 E HA 0.192 4.531 4.350 -0.019 0.000 0.262 200 E C -0.224 176.539 176.600 0.272 0.000 1.004 200 E CA 0.065 56.574 56.400 0.181 0.000 0.928 200 E CB 0.295 30.055 29.700 0.100 0.000 0.937 200 E HN 0.770 nan 8.360 nan 0.000 0.446 201 H N -0.399 118.837 119.070 0.277 0.000 2.508 201 H HA 0.486 5.030 4.556 -0.019 0.000 0.358 201 H C 0.449 175.879 175.328 0.170 0.000 1.212 201 H CA -0.847 55.335 56.048 0.223 0.000 1.356 201 H CB 1.105 31.017 29.762 0.251 0.000 1.525 201 H HN 0.473 nan 8.280 nan 0.000 0.578 202 G N 1.178 110.150 108.800 0.287 0.000 4.637 202 G HA2 0.063 4.012 3.960 -0.019 0.000 0.294 202 G HA3 0.063 4.012 3.960 -0.019 0.000 0.294 202 G C -0.715 174.174 174.900 -0.019 0.000 1.215 202 G CA -0.680 44.442 45.100 0.036 0.000 0.943 202 G HN 0.627 nan 8.290 nan 0.000 0.572 203 N N 1.749 120.578 118.700 0.216 0.000 2.555 203 N HA 0.105 4.834 4.740 -0.019 0.000 0.244 203 N C 0.811 176.224 175.510 -0.161 0.000 1.114 203 N CA -0.425 52.523 53.050 -0.170 0.000 0.963 203 N CB 0.623 39.008 38.487 -0.169 0.000 1.276 203 N HN 0.554 nan 8.380 nan 0.000 0.510 204 Y N -0.271 120.014 120.300 -0.025 0.000 2.680 204 Y HA -0.028 4.511 4.550 -0.018 0.000 0.303 204 Y C 1.687 177.581 175.900 -0.011 0.000 1.166 204 Y CA 0.300 58.373 58.100 -0.044 0.000 1.344 204 Y CB -0.683 37.713 38.460 -0.107 0.000 1.002 204 Y HN 0.294 nan 8.280 nan 0.000 0.537 205 T N -4.153 110.349 114.554 -0.086 0.000 3.054 205 T HA 0.078 4.417 4.350 -0.019 0.000 0.255 205 T C 0.008 174.702 174.700 -0.010 0.000 1.035 205 T CA -0.216 61.881 62.100 -0.005 0.000 0.941 205 T CB -0.135 68.714 68.868 -0.031 0.000 1.026 205 T HN 0.196 nan 8.240 nan 0.000 0.533 206 D N 2.601 122.993 120.400 -0.013 0.000 2.325 206 D HA 0.283 4.912 4.640 -0.019 0.000 0.251 206 D C -1.673 174.655 176.300 0.046 0.000 1.196 206 D CA -2.528 51.474 54.000 0.002 0.000 0.866 206 D CB 1.857 42.639 40.800 -0.030 0.000 1.101 206 D HN -0.038 nan 8.370 nan 0.000 0.476 207 P HA -0.181 nan 4.420 nan 0.000 0.217 207 P C 1.042 178.375 177.300 0.053 0.000 1.148 207 P CA 1.011 64.133 63.100 0.036 0.000 0.834 207 P CB 0.224 31.936 31.700 0.020 0.000 0.783 208 E N -0.934 119.308 120.200 0.070 0.000 2.160 208 E HA -0.205 4.134 4.350 -0.019 0.000 0.195 208 E C 1.608 178.275 176.600 0.111 0.000 0.991 208 E CA 0.922 57.380 56.400 0.096 0.000 0.810 208 E CB -0.324 29.459 29.700 0.138 0.000 0.742 208 E HN 0.112 nan 8.360 nan 0.000 0.466 209 L N 0.010 121.315 121.223 0.137 0.000 2.316 209 L HA 0.032 4.360 4.340 -0.019 0.000 0.207 209 L C 2.420 179.333 176.870 0.073 0.000 1.070 209 L CA 1.755 56.660 54.840 0.109 0.000 0.820 209 L CB -0.185 41.972 42.059 0.164 0.000 0.992 209 L HN 0.222 nan 8.230 nan 0.000 0.466 210 T N -2.844 111.752 114.554 0.071 0.000 3.014 210 T HA 0.383 4.722 4.350 -0.019 0.000 0.263 210 T C 1.195 175.920 174.700 0.041 0.000 1.078 210 T CA 0.487 62.619 62.100 0.053 0.000 1.135 210 T CB -0.665 68.235 68.868 0.053 0.000 0.895 210 T HN 0.663 nan 8.240 nan 0.000 0.480 211 G N 2.447 111.272 108.800 0.042 0.000 2.750 211 G HA2 -0.079 3.870 3.960 -0.019 0.000 0.228 211 G HA3 -0.079 3.870 3.960 -0.019 0.000 0.228 211 G C -2.709 172.207 174.900 0.027 0.000 1.367 211 G CA -0.535 44.584 45.100 0.033 0.000 0.871 211 G HN 0.582 nan 8.290 nan 0.000 0.560 212 P HA 0.329 nan 4.420 nan 0.000 0.268 212 P C 0.519 177.829 177.300 0.017 0.000 1.204 212 P CA -0.053 63.057 63.100 0.018 0.000 0.768 212 P CB 0.467 32.175 31.700 0.014 0.000 0.842 213 L N 3.606 124.839 121.223 0.016 0.000 2.461 213 L HA 0.173 4.502 4.340 -0.019 0.000 0.272 213 L C 1.456 178.333 176.870 0.012 0.000 1.197 213 L CA -0.313 54.536 54.840 0.015 0.000 0.836 213 L CB -0.028 42.040 42.059 0.015 0.000 1.105 213 L HN 0.341 nan 8.230 nan 0.000 0.477 214 R N 0.440 120.946 120.500 0.010 0.000 2.590 214 R HA 0.103 4.432 4.340 -0.019 0.000 0.274 214 R C 0.768 177.071 176.300 0.006 0.000 1.061 214 R CA 0.278 56.383 56.100 0.008 0.000 1.081 214 R CB 0.343 30.647 30.300 0.006 0.000 0.984 214 R HN 0.723 nan 8.270 nan 0.000 0.448 215 T N -3.697 110.861 114.554 0.005 0.000 3.200 215 T HA 0.008 4.347 4.350 -0.019 0.000 0.284 215 T C 1.147 175.849 174.700 0.003 0.000 1.009 215 T CA 0.000 62.103 62.100 0.005 0.000 0.907 215 T CB 0.285 69.156 68.868 0.005 0.000 1.120 215 T HN 0.661 nan 8.240 nan 0.000 0.534 216 T N -0.688 113.868 114.554 0.003 0.000 3.067 216 T HA 0.145 4.484 4.350 -0.019 0.000 0.257 216 T C 0.741 175.441 174.700 0.000 0.000 1.105 216 T CA -0.094 62.007 62.100 0.001 0.000 1.104 216 T CB -0.327 68.541 68.868 0.001 0.000 0.925 216 T HN 0.429 nan 8.240 nan 0.000 0.498 217 Q N 1.873 121.674 119.800 0.001 0.000 2.307 217 Q HA 0.345 4.674 4.340 -0.019 0.000 0.261 217 Q C -0.735 175.266 176.000 0.000 0.000 1.051 217 Q CA -0.273 55.530 55.803 -0.000 0.000 0.911 217 Q CB 0.777 29.515 28.738 -0.000 0.000 1.227 217 Q HN 0.129 nan 8.270 nan 0.000 0.418 218 K N 3.598 123.998 120.400 -0.000 0.000 2.154 218 K HA 0.301 4.610 4.320 -0.019 0.000 0.264 218 K C -2.104 174.496 176.600 0.001 0.000 1.008 218 K CA -1.591 54.696 56.287 0.000 0.000 0.937 218 K CB 0.242 32.742 32.500 -0.001 0.000 1.002 218 K HN 0.393 nan 8.250 nan 0.000 0.469 219 P HA 0.209 nan 4.420 nan 0.000 0.274 219 P C -0.849 176.453 177.300 0.003 0.000 1.231 219 P CA -0.313 62.789 63.100 0.003 0.000 0.790 219 P CB 0.636 32.339 31.700 0.004 0.000 0.951 220 I N 0.991 121.563 120.570 0.004 0.000 2.389 220 I HA 0.186 4.345 4.170 -0.019 0.000 0.288 220 I C 0.478 176.599 176.117 0.007 0.000 0.999 220 I CA -0.181 61.122 61.300 0.005 0.000 1.129 220 I CB 1.568 39.571 38.000 0.005 0.000 1.288 220 I HN 0.237 nan 8.210 nan 0.000 0.444 221 S N 7.272 122.978 115.700 0.009 0.000 2.422 221 S HA 0.664 5.123 4.470 -0.019 0.000 0.308 221 S C -0.459 174.150 174.600 0.015 0.000 1.097 221 S CA -0.448 57.758 58.200 0.011 0.000 1.099 221 S CB 0.061 63.267 63.200 0.010 0.000 0.976 221 S HN 0.415 nan 8.310 nan 0.000 0.471 222 I N 5.507 126.087 120.570 0.016 0.000 2.382 222 I HA 0.368 4.526 4.170 -0.019 0.000 0.285 222 I C 0.192 176.322 176.117 0.023 0.000 1.007 222 I CA -0.362 60.952 61.300 0.024 0.000 1.142 222 I CB 1.634 39.651 38.000 0.027 0.000 1.289 222 I HN 0.665 nan 8.210 nan 0.000 0.453 223 T N 1.827 116.397 114.554 0.027 0.000 2.883 223 T HA 0.510 4.849 4.350 -0.019 0.000 0.296 223 T C -0.795 173.923 174.700 0.030 0.000 1.117 223 T CA -0.921 61.194 62.100 0.025 0.000 1.006 223 T CB 2.261 71.140 68.868 0.018 0.000 1.191 223 T HN 0.475 nan 8.240 nan 0.000 0.508 224 Q N 0.994 120.809 119.800 0.025 0.000 2.616 224 Q HA 0.269 4.598 4.340 -0.019 0.000 0.250 224 Q C -2.205 173.801 176.000 0.011 0.000 0.991 224 Q CA -1.924 53.893 55.803 0.024 0.000 0.707 224 Q CB 1.836 30.589 28.738 0.025 0.000 1.247 224 Q HN 0.490 nan 8.270 nan 0.000 0.491 225 P HA -0.227 nan 4.420 nan 0.000 0.217 225 P C 0.163 177.464 177.300 0.001 0.000 1.151 225 P CA 1.517 64.621 63.100 0.007 0.000 0.849 225 P CB 0.348 32.053 31.700 0.009 0.000 0.787 226 E N -1.056 119.143 120.200 -0.000 0.000 2.465 226 E HA 0.368 4.707 4.350 -0.019 0.000 0.195 226 E C 0.832 177.419 176.600 -0.022 0.000 1.028 226 E CA 0.015 56.411 56.400 -0.008 0.000 0.899 226 E CB 0.039 29.737 29.700 -0.004 0.000 1.032 226 E HN 0.148 nan 8.360 nan 0.000 0.468 227 G N 2.956 111.740 108.800 -0.027 0.000 2.796 227 G HA2 -0.194 3.755 3.960 -0.019 0.000 0.571 227 G HA3 -0.194 3.755 3.960 -0.019 0.000 0.571 227 G C -2.709 172.138 174.900 -0.087 0.000 1.370 227 G CA -0.902 44.161 45.100 -0.060 0.000 0.856 227 G HN 0.024 nan 8.290 nan 0.000 0.538 228 P HA 0.354 nan 4.420 nan 0.000 0.274 228 P C 0.587 177.755 177.300 -0.220 0.000 1.237 228 P CA 0.097 63.022 63.100 -0.292 0.000 0.793 228 P CB 1.267 32.464 31.700 -0.840 0.000 0.977 229 S N 0.108 115.810 115.700 0.002 0.000 2.558 229 S HA 0.107 4.565 4.470 -0.019 0.000 0.217 229 S C 0.700 175.457 174.600 0.261 0.000 0.975 229 S CA 0.156 58.442 58.200 0.143 0.000 0.912 229 S CB -0.749 62.606 63.200 0.259 0.000 0.776 229 S HN 0.568 nan 8.310 nan 0.000 0.526 230 F N 1.916 122.060 119.950 0.324 0.000 2.440 230 F HA 0.757 5.273 4.527 -0.019 0.000 0.328 230 F C 0.127 176.013 175.800 0.145 0.000 1.070 230 F CA -1.173 57.003 58.000 0.293 0.000 1.011 230 F CB 0.361 39.507 39.000 0.243 0.000 1.226 230 F HN -0.140 nan 8.300 nan 0.000 0.491 231 T N -0.265 114.498 114.554 0.347 0.000 2.885 231 T HA 0.755 5.094 4.350 -0.019 0.000 0.285 231 T C -1.177 173.692 174.700 0.281 0.000 1.019 231 T CA -0.808 61.422 62.100 0.217 0.000 1.010 231 T CB 1.542 70.497 68.868 0.146 0.000 1.022 231 T HN 0.690 nan 8.240 nan 0.000 0.466 232 V N 3.220 123.268 119.914 0.223 0.000 2.407 232 V HA 0.684 4.793 4.120 -0.019 0.000 0.291 232 V C 0.319 176.506 176.094 0.156 0.000 1.018 232 V CA -0.640 61.776 62.300 0.193 0.000 0.842 232 V CB 1.270 33.212 31.823 0.198 0.000 0.996 232 V HN 1.303 nan 8.190 nan 0.000 0.426 233 T N 0.192 114.853 114.554 0.178 0.000 2.916 233 T HA 0.685 5.024 4.350 -0.019 0.000 0.292 233 T C 0.819 175.607 174.700 0.148 0.000 1.055 233 T CA -0.043 62.148 62.100 0.151 0.000 1.009 233 T CB 1.796 70.755 68.868 0.151 0.000 1.118 233 T HN 1.765 nan 8.240 nan 0.000 0.497 234 G N -0.087 108.771 108.800 0.096 0.000 2.225 234 G HA2 0.110 4.059 3.960 -0.019 0.000 0.267 234 G HA3 0.110 4.059 3.960 -0.019 0.000 0.267 234 G C 1.331 176.283 174.900 0.087 0.000 1.024 234 G CA 0.978 46.127 45.100 0.080 0.000 0.784 234 G HN 2.407 nan 8.290 nan 0.000 0.507 235 G N -0.128 108.724 108.800 0.087 0.000 2.550 235 G HA2 -0.286 3.663 3.960 -0.019 0.000 0.233 235 G HA3 -0.286 3.663 3.960 -0.019 0.000 0.233 235 G C 0.898 175.848 174.900 0.083 0.000 1.170 235 G CA 1.293 46.439 45.100 0.077 0.000 0.693 235 G HN 2.214 nan 8.290 nan 0.000 0.512 236 N N -0.137 118.623 118.700 0.101 0.000 2.217 236 N HA 0.180 4.909 4.740 -0.019 0.000 0.239 236 N C -0.293 175.276 175.510 0.098 0.000 1.330 236 N CA 0.342 53.443 53.050 0.085 0.000 0.838 236 N CB -0.242 38.290 38.487 0.075 0.000 1.287 236 N HN 0.573 nan 8.380 nan 0.000 0.498 237 H N 1.375 120.476 119.070 0.051 0.000 2.604 237 H HA 0.465 5.009 4.556 -0.019 0.000 0.306 237 H C -0.456 174.912 175.328 0.065 0.000 1.075 237 H CA -0.309 55.769 56.048 0.049 0.000 1.357 237 H CB 0.551 30.346 29.762 0.055 0.000 1.426 237 H HN 0.001 nan 8.280 nan 0.000 0.470 238 I N 4.795 125.099 120.570 -0.444 0.000 2.412 238 I HA 0.275 4.434 4.170 -0.019 0.000 0.296 238 I C -0.101 175.870 176.117 -0.242 0.000 0.987 238 I CA -0.550 60.612 61.300 -0.231 0.000 1.180 238 I CB 1.523 39.411 38.000 -0.187 0.000 1.340 238 I HN 0.714 nan 8.210 nan 0.000 0.455 239 E N 5.218 125.441 120.200 0.039 0.000 2.244 239 E HA 0.347 4.686 4.350 -0.019 0.000 0.260 239 E C -1.830 174.958 176.600 0.314 0.000 0.884 239 E CA -0.586 55.895 56.400 0.136 0.000 0.777 239 E CB 2.627 32.412 29.700 0.142 0.000 1.197 239 E HN 0.565 nan 8.360 nan 0.000 0.416 240 W N 4.017 125.382 121.300 0.108 0.000 3.326 240 W HA 0.167 4.817 4.660 -0.018 0.000 0.333 240 W C -0.661 175.958 176.519 0.166 0.000 1.108 240 W CA -0.391 57.047 57.345 0.155 0.000 1.245 240 W CB 0.976 30.529 29.460 0.154 0.000 1.331 240 W HN 0.345 nan 8.180 nan 0.000 0.464 241 E N 5.879 125.715 120.200 -0.607 0.000 2.149 241 E HA -0.322 4.017 4.350 -0.019 0.000 0.191 241 E C 0.559 176.845 176.600 -0.525 0.000 1.384 241 E CA 1.877 57.845 56.400 -0.720 0.000 0.698 241 E CB -1.004 27.855 29.700 -1.401 0.000 1.086 241 E HN 0.898 nan 8.360 nan 0.000 0.338 242 K N -3.816 116.322 120.400 -0.437 0.000 3.615 242 K HA -0.246 4.063 4.320 -0.019 0.000 0.269 242 K C 0.173 176.351 176.600 -0.704 0.000 1.107 242 K CA 1.770 57.647 56.287 -0.683 0.000 1.059 242 K CB -1.385 30.406 32.500 -1.182 0.000 1.317 242 K HN 0.259 nan 8.250 nan 0.000 0.494 243 W N 1.785 122.883 121.300 -0.337 0.000 2.237 243 W HA 0.421 5.071 4.660 -0.018 0.000 0.335 243 W C 0.681 177.178 176.519 -0.037 0.000 1.230 243 W CA -0.049 57.239 57.345 -0.094 0.000 1.253 243 W CB 1.356 30.907 29.460 0.152 0.000 1.129 243 W HN 0.002 nan 8.180 nan 0.000 0.590 244 S N 4.048 119.908 115.700 0.266 0.000 2.575 244 S HA 0.828 5.287 4.470 -0.019 0.000 0.278 244 S C -1.151 173.485 174.600 0.059 0.000 1.139 244 S CA -0.734 57.528 58.200 0.104 0.000 0.954 244 S CB 0.119 63.400 63.200 0.135 0.000 1.054 244 S HN 0.577 nan 8.310 nan 0.000 0.483 245 L N 1.093 122.236 121.223 -0.132 0.000 2.940 245 L HA 0.755 5.084 4.340 -0.019 0.000 0.270 245 L C -2.064 174.698 176.870 -0.181 0.000 1.030 245 L CA -1.051 53.718 54.840 -0.118 0.000 0.928 245 L CB 1.630 43.621 42.059 -0.113 0.000 1.506 245 L HN 0.395 nan 8.230 nan 0.000 0.405 246 D N 1.302 121.652 120.400 -0.083 0.000 2.375 246 D HA 0.506 5.134 4.640 -0.019 0.000 0.247 246 D C -0.854 175.450 176.300 0.006 0.000 1.061 246 D CA -0.282 53.718 54.000 0.000 0.000 0.834 246 D CB 3.257 44.085 40.800 0.047 0.000 1.247 246 D HN 0.370 nan 8.370 nan 0.000 0.489 247 V N 2.012 121.930 119.914 0.007 0.000 2.348 247 V HA 0.515 4.624 4.120 -0.019 0.000 0.270 247 V C 0.904 177.053 176.094 0.092 0.000 1.037 247 V CA -0.400 61.900 62.300 -0.001 0.000 0.872 247 V CB 1.163 32.961 31.823 -0.042 0.000 1.002 247 V HN 0.605 nan 8.190 nan 0.000 0.464 248 G N 3.145 112.039 108.800 0.157 0.000 2.552 248 G HA2 0.728 4.677 3.960 -0.019 0.000 0.324 248 G HA3 0.728 4.677 3.960 -0.019 0.000 0.324 248 G C -1.606 173.391 174.900 0.162 0.000 1.217 248 G CA -0.492 44.729 45.100 0.203 0.000 0.989 248 G HN 0.470 nan 8.290 nan 0.000 0.490 249 F N -0.016 119.913 119.950 -0.035 0.000 2.588 249 F HA 0.520 5.035 4.527 -0.019 0.000 0.314 249 F C -1.432 174.315 175.800 -0.087 0.000 1.134 249 F CA -0.942 56.989 58.000 -0.115 0.000 0.961 249 F CB 2.596 41.514 39.000 -0.137 0.000 1.239 249 F HN 0.527 nan 8.300 nan 0.000 0.448 250 D N 3.794 123.796 120.400 -0.663 0.000 2.646 250 D HA 0.304 4.933 4.640 -0.019 0.000 0.245 250 D C 0.200 176.134 176.300 -0.611 0.000 1.099 250 D CA -0.576 53.184 54.000 -0.399 0.000 0.849 250 D CB 2.395 43.086 40.800 -0.183 0.000 1.448 250 D HN 0.381 nan 8.370 nan 0.000 0.489 251 V N 4.384 124.124 119.914 -0.290 0.000 2.568 251 V HA -0.145 3.964 4.120 -0.019 0.000 0.253 251 V C 2.031 178.044 176.094 -0.135 0.000 1.072 251 V CA 2.253 64.431 62.300 -0.203 0.000 1.084 251 V CB -0.390 31.369 31.823 -0.106 0.000 0.676 251 V HN 0.644 nan 8.190 nan 0.000 0.469 252 R N -0.407 120.077 120.500 -0.026 0.000 2.052 252 R HA -0.047 4.282 4.340 -0.019 0.000 0.224 252 R C 2.252 178.483 176.300 -0.114 0.000 1.149 252 R CA 1.692 57.765 56.100 -0.044 0.000 0.962 252 R CB -0.265 29.965 30.300 -0.117 0.000 0.856 252 R HN 0.588 nan 8.270 nan 0.000 0.433 253 E N -0.479 119.636 120.200 -0.143 0.000 2.299 253 E HA 0.115 4.454 4.350 -0.019 0.000 0.193 253 E C 0.776 177.195 176.600 -0.302 0.000 0.998 253 E CA 0.413 56.732 56.400 -0.135 0.000 0.851 253 E CB 0.412 30.078 29.700 -0.057 0.000 0.795 253 E HN 0.585 nan 8.360 nan 0.000 0.492 254 G N 0.722 109.125 108.800 -0.662 0.000 2.488 254 G HA2 -0.289 3.659 3.960 -0.019 0.000 0.237 254 G HA3 -0.289 3.659 3.960 -0.019 0.000 0.237 254 G C -0.149 174.125 174.900 -1.045 0.000 1.209 254 G CA -0.359 44.005 45.100 -1.226 0.000 0.929 254 G HN 0.100 nan 8.290 nan 0.000 0.578 255 V N 0.789 120.247 119.914 -0.760 0.000 2.529 255 V HA 0.419 4.528 4.120 -0.019 0.000 0.292 255 V C 0.751 176.780 176.094 -0.108 0.000 1.028 255 V CA 0.203 62.406 62.300 -0.163 0.000 1.074 255 V CB 0.931 32.833 31.823 0.131 0.000 0.958 255 V HN 0.900 nan 8.190 nan 0.000 0.481 256 V N 6.734 126.540 119.914 -0.180 0.000 2.588 256 V HA 0.463 4.572 4.120 -0.019 0.000 0.304 256 V C -0.199 175.624 176.094 -0.451 0.000 1.042 256 V CA -0.655 61.448 62.300 -0.327 0.000 0.877 256 V CB 1.921 33.556 31.823 -0.313 0.000 0.996 256 V HN 0.607 nan 8.190 nan 0.000 0.425 257 L N 4.998 125.821 121.223 -0.667 0.000 2.289 257 L HA 0.605 4.934 4.340 -0.019 0.000 0.285 257 L C -0.320 176.198 176.870 -0.587 0.000 1.049 257 L CA -0.500 53.986 54.840 -0.591 0.000 0.804 257 L CB 0.835 42.449 42.059 -0.741 0.000 1.195 257 L HN 0.619 nan 8.230 nan 0.000 0.428 258 H N 3.707 122.611 119.070 -0.278 0.000 2.569 258 H HA 0.262 4.807 4.556 -0.019 0.000 0.357 258 H C -0.141 174.984 175.328 -0.339 0.000 1.153 258 H CA -0.709 55.152 56.048 -0.311 0.000 1.193 258 H CB 1.879 31.424 29.762 -0.362 0.000 1.602 258 H HN 0.571 nan 8.280 nan 0.000 0.523 259 N N 1.430 119.994 118.700 -0.227 0.000 2.714 259 N HA -0.203 4.526 4.740 -0.019 0.000 0.252 259 N C -0.265 175.186 175.510 -0.099 0.000 1.014 259 N CA 0.500 53.425 53.050 -0.208 0.000 0.735 259 N CB -1.267 37.033 38.487 -0.311 0.000 0.924 259 N HN 0.548 nan 8.380 nan 0.000 0.540 260 I N 0.531 121.051 120.570 -0.084 0.000 2.587 260 I HA 0.197 4.356 4.170 -0.019 0.000 0.284 260 I C 1.031 177.211 176.117 0.105 0.000 1.134 260 I CA 0.272 61.588 61.300 0.027 0.000 1.410 260 I CB 0.420 38.418 38.000 -0.004 0.000 1.392 260 I HN 0.318 nan 8.210 nan 0.000 0.545 261 A N 7.013 129.956 122.820 0.205 0.000 2.566 261 A HA 0.796 5.105 4.320 -0.019 0.000 0.292 261 A C -1.558 176.166 177.584 0.233 0.000 1.112 261 A CA -0.447 51.698 52.037 0.179 0.000 0.707 261 A CB 1.620 20.680 19.000 0.100 0.000 1.302 261 A HN 0.516 nan 8.150 nan 0.000 0.409 262 F N 0.478 120.425 119.950 -0.005 0.000 2.518 262 F HA 0.658 5.174 4.527 -0.018 0.000 0.323 262 F C 0.165 175.969 175.800 0.007 0.000 1.129 262 F CA -0.645 57.279 58.000 -0.126 0.000 0.920 262 F CB 1.804 40.663 39.000 -0.235 0.000 1.160 262 F HN 0.563 nan 8.300 nan 0.000 0.440 263 R N 4.070 124.482 120.500 -0.146 0.000 2.309 263 R HA 0.174 4.503 4.340 -0.019 0.000 0.331 263 R C -1.288 175.117 176.300 0.175 0.000 1.116 263 R CA 0.049 56.148 56.100 -0.000 0.000 0.970 263 R CB -0.464 29.770 30.300 -0.109 0.000 1.024 263 R HN 0.505 nan 8.270 nan 0.000 0.472 264 D N 3.922 124.505 120.400 0.304 0.000 2.473 264 D HA 0.401 5.030 4.640 -0.019 0.000 0.226 264 D C 0.763 177.158 176.300 0.159 0.000 1.089 264 D CA 0.962 55.163 54.000 0.335 0.000 0.883 264 D CB 0.678 41.708 40.800 0.383 0.000 1.029 264 D HN 0.676 nan 8.370 nan 0.000 0.517 265 G N 4.686 113.554 108.800 0.113 0.000 2.543 265 G HA2 -0.315 3.634 3.960 -0.019 0.000 0.286 265 G HA3 -0.315 3.634 3.960 -0.019 0.000 0.286 265 G C 0.669 175.593 174.900 0.042 0.000 1.153 265 G CA 0.420 45.557 45.100 0.062 0.000 0.968 265 G HN 0.590 nan 8.290 nan 0.000 0.544 266 D N 1.472 121.891 120.400 0.032 0.000 2.349 266 D HA 0.084 4.713 4.640 -0.019 0.000 0.214 266 D C 1.076 177.390 176.300 0.023 0.000 1.063 266 D CA 0.692 54.705 54.000 0.021 0.000 0.847 266 D CB 0.049 40.857 40.800 0.013 0.000 0.933 266 D HN 0.943 nan 8.370 nan 0.000 0.513 267 R N 0.041 120.561 120.500 0.033 0.000 2.599 267 R HA 0.524 4.853 4.340 -0.019 0.000 0.295 267 R C -1.096 175.237 176.300 0.054 0.000 0.963 267 R CA -1.070 55.048 56.100 0.031 0.000 0.883 267 R CB 1.525 31.832 30.300 0.012 0.000 1.171 267 R HN -0.083 nan 8.270 nan 0.000 0.450 268 L N 3.283 124.533 121.223 0.045 0.000 2.283 268 L HA 0.327 4.656 4.340 -0.019 0.000 0.287 268 L C -0.526 176.385 176.870 0.068 0.000 1.073 268 L CA -0.086 54.791 54.840 0.062 0.000 0.822 268 L CB 0.425 42.511 42.059 0.046 0.000 1.186 268 L HN 0.608 nan 8.230 nan 0.000 0.436 269 R N 7.263 127.839 120.500 0.126 0.000 2.229 269 R HA 0.429 4.758 4.340 -0.019 0.000 0.332 269 R C -2.316 174.080 176.300 0.160 0.000 0.989 269 R CA -1.763 54.418 56.100 0.135 0.000 0.842 269 R CB 0.752 31.158 30.300 0.176 0.000 1.119 269 R HN 0.502 nan 8.270 nan 0.000 0.456 270 P HA 0.076 nan 4.420 nan 0.000 0.272 270 P C -0.107 177.197 177.300 0.005 0.000 1.223 270 P CA 0.090 63.185 63.100 -0.008 0.000 0.784 270 P CB 1.276 32.894 31.700 -0.136 0.000 0.923 271 I N 0.639 121.158 120.570 -0.085 0.000 3.746 271 I HA 0.249 4.408 4.170 -0.019 0.000 0.262 271 I C 0.701 176.693 176.117 -0.209 0.000 1.153 271 I CA 0.206 61.364 61.300 -0.237 0.000 1.395 271 I CB 0.407 38.165 38.000 -0.403 0.000 1.589 271 I HN 0.138 nan 8.210 nan 0.000 0.441 272 I N 1.433 121.911 120.570 -0.154 0.000 2.478 272 I HA 0.168 4.327 4.170 -0.019 0.000 0.287 272 I C 0.630 176.670 176.117 -0.129 0.000 1.042 272 I CA -0.234 60.986 61.300 -0.135 0.000 1.067 272 I CB 2.150 40.070 38.000 -0.134 0.000 1.233 272 I HN 0.114 nan 8.210 nan 0.000 0.431 273 N N 5.350 123.994 118.700 -0.093 0.000 2.171 273 N HA 0.007 4.735 4.740 -0.019 0.000 0.184 273 N C 0.546 175.998 175.510 -0.096 0.000 1.021 273 N CA 1.002 54.017 53.050 -0.058 0.000 0.854 273 N CB 0.533 39.096 38.487 0.128 0.000 0.994 273 N HN 0.543 nan 8.380 nan 0.000 0.426 274 R N -0.160 120.256 120.500 -0.140 0.000 2.535 274 R HA 0.471 4.800 4.340 -0.019 0.000 0.274 274 R C -2.111 174.013 176.300 -0.293 0.000 1.090 274 R CA -0.503 55.444 56.100 -0.256 0.000 0.930 274 R CB 1.810 32.003 30.300 -0.179 0.000 1.223 274 R HN 0.047 nan 8.270 nan 0.000 0.441 275 A N 2.338 124.906 122.820 -0.419 0.000 2.356 275 A HA 0.741 5.050 4.320 -0.019 0.000 0.310 275 A C -1.055 176.277 177.584 -0.420 0.000 1.075 275 A CA -0.411 51.383 52.037 -0.404 0.000 0.746 275 A CB 1.585 20.236 19.000 -0.581 0.000 1.221 275 A HN 0.829 nan 8.150 nan 0.000 0.443 276 S N 0.806 116.438 115.700 -0.113 0.000 2.615 276 S HA 0.677 5.136 4.470 -0.019 0.000 0.269 276 S C -1.285 173.425 174.600 0.183 0.000 1.161 276 S CA -0.627 57.602 58.200 0.048 0.000 0.817 276 S CB 0.584 63.736 63.200 -0.080 0.000 1.131 276 S HN 0.569 nan 8.310 nan 0.000 0.467 277 I N 2.143 122.846 120.570 0.222 0.000 2.287 277 I HA 0.528 4.687 4.170 -0.019 0.000 0.290 277 I C 1.176 177.380 176.117 0.146 0.000 1.069 277 I CA -0.310 61.108 61.300 0.196 0.000 1.237 277 I CB 0.880 39.097 38.000 0.363 0.000 1.418 277 I HN 0.941 nan 8.210 nan 0.000 0.481 278 A N 4.274 127.151 122.820 0.095 0.000 2.208 278 A HA 0.218 4.526 4.320 -0.019 0.000 0.209 278 A C 0.721 178.347 177.584 0.070 0.000 1.161 278 A CA 0.852 52.965 52.037 0.127 0.000 0.782 278 A CB -0.154 18.926 19.000 0.133 0.000 0.816 278 A HN 0.621 nan 8.150 nan 0.000 0.477 279 E N -1.564 118.621 120.200 -0.024 0.000 2.389 279 E HA 0.529 4.868 4.350 -0.019 0.000 0.281 279 E C -1.117 175.418 176.600 -0.108 0.000 1.072 279 E CA -0.331 56.001 56.400 -0.114 0.000 0.845 279 E CB 0.768 30.248 29.700 -0.366 0.000 1.239 279 E HN 0.503 nan 8.360 nan 0.000 0.434 280 M N 2.003 121.524 119.600 -0.133 0.000 2.294 280 M HA 0.716 5.185 4.480 -0.019 0.000 0.280 280 M C -1.863 174.193 176.300 -0.407 0.000 1.085 280 M CA -0.927 54.150 55.300 -0.372 0.000 0.969 280 M CB 1.924 34.160 32.600 -0.607 0.000 1.770 280 M HN 0.301 nan 8.290 nan 0.000 0.485 281 V N 3.254 122.884 119.914 -0.473 0.000 2.876 281 V HA 0.851 4.960 4.120 -0.019 0.000 0.312 281 V C -1.510 174.270 176.094 -0.524 0.000 1.085 281 V CA -0.527 61.385 62.300 -0.647 0.000 0.945 281 V CB 2.627 33.892 31.823 -0.930 0.000 1.017 281 V HN 0.821 nan 8.190 nan 0.000 0.428 282 V N 7.757 127.418 119.914 -0.422 0.000 2.276 282 V HA 0.424 4.533 4.120 -0.019 0.000 0.268 282 V C -2.434 173.523 176.094 -0.228 0.000 1.032 282 V CA -1.305 60.830 62.300 -0.275 0.000 0.810 282 V CB 1.371 33.213 31.823 0.031 0.000 1.060 282 V HN 0.821 nan 8.190 nan 0.000 0.446 283 P HA 0.336 nan 4.420 nan 0.000 0.285 283 P C -1.309 175.834 177.300 -0.261 0.000 1.259 283 P CA -0.332 62.657 63.100 -0.184 0.000 0.794 283 P CB 1.080 32.669 31.700 -0.185 0.000 0.940 284 Y N 0.718 120.951 120.300 -0.112 0.000 2.334 284 Y HA 0.465 5.004 4.550 -0.018 0.000 0.328 284 Y C 1.717 177.582 175.900 -0.058 0.000 1.130 284 Y CA 0.241 58.289 58.100 -0.087 0.000 1.163 284 Y CB 1.440 39.776 38.460 -0.205 0.000 1.207 284 Y HN 0.478 nan 8.280 nan 0.000 0.471 285 G N 1.422 110.275 108.800 0.088 0.000 3.820 285 G HA2 0.023 3.972 3.960 -0.019 0.000 0.293 285 G HA3 0.023 3.972 3.960 -0.019 0.000 0.293 285 G C -0.774 174.167 174.900 0.068 0.000 1.152 285 G CA -0.191 44.959 45.100 0.083 0.000 0.921 285 G HN 0.512 nan 8.290 nan 0.000 0.544 286 D N 1.047 121.468 120.400 0.035 0.000 2.317 286 D HA 0.272 4.901 4.640 -0.019 0.000 0.234 286 D C -1.090 175.182 176.300 -0.047 0.000 1.112 286 D CA -2.410 51.571 54.000 -0.032 0.000 0.840 286 D CB 2.354 43.124 40.800 -0.049 0.000 1.078 286 D HN 0.035 nan 8.370 nan 0.000 0.486 287 P HA -0.038 nan 4.420 nan 0.000 0.242 287 P C 0.400 177.682 177.300 -0.030 0.000 1.197 287 P CA -0.009 63.077 63.100 -0.024 0.000 0.765 287 P CB 0.170 31.866 31.700 -0.006 0.000 0.936 288 S N 1.562 117.233 115.700 -0.049 0.000 2.552 288 S HA 0.071 4.530 4.470 -0.019 0.000 0.289 288 S C -1.325 173.264 174.600 -0.019 0.000 1.304 288 S CA -0.868 57.311 58.200 -0.036 0.000 1.063 288 S CB 0.263 63.419 63.200 -0.074 0.000 0.848 288 S HN -0.060 nan 8.310 nan 0.000 0.499 289 P HA -0.051 nan 4.420 nan 0.000 0.221 289 P C 0.917 178.336 177.300 0.199 0.000 1.145 289 P CA 0.732 63.899 63.100 0.112 0.000 0.795 289 P CB 0.018 31.789 31.700 0.119 0.000 0.775 290 I N -1.111 119.527 120.570 0.114 0.000 2.493 290 I HA -0.141 4.018 4.170 -0.019 0.000 0.254 290 I C 1.907 178.111 176.117 0.145 0.000 1.160 290 I CA 1.612 63.017 61.300 0.176 0.000 1.445 290 I CB -0.468 37.537 38.000 0.009 0.000 1.086 290 I HN -0.119 nan 8.210 nan 0.000 0.433 291 R N -1.107 119.265 120.500 -0.214 0.000 2.541 291 R HA 0.151 4.480 4.340 -0.019 0.000 0.332 291 R C 1.896 177.706 176.300 -0.816 0.000 0.951 291 R CA 0.651 56.320 56.100 -0.718 0.000 1.136 291 R CB 0.174 30.189 30.300 -0.475 0.000 1.449 291 R HN 0.299 nan 8.270 nan 0.000 0.531 292 S N 0.856 116.286 115.700 -0.450 0.000 2.500 292 S HA -0.117 4.342 4.470 -0.019 0.000 0.239 292 S C 1.381 175.786 174.600 -0.325 0.000 0.989 292 S CA 0.459 58.491 58.200 -0.280 0.000 0.951 292 S CB -0.398 62.734 63.200 -0.112 0.000 0.759 292 S HN 0.622 nan 8.310 nan 0.000 0.523 293 W N 0.435 121.573 121.300 -0.271 0.000 3.211 293 W HA 0.393 5.042 4.660 -0.018 0.000 0.292 293 W C 0.490 177.030 176.519 0.034 0.000 1.268 293 W CA -0.676 56.389 57.345 -0.467 0.000 1.702 293 W CB -0.597 28.456 29.460 -0.679 0.000 1.092 293 W HN 0.271 nan 8.180 nan 0.000 0.643 294 Q N 2.844 122.233 119.800 -0.685 0.000 2.286 294 Q HA 0.096 4.425 4.340 -0.019 0.000 0.265 294 Q C -0.748 175.258 176.000 0.011 0.000 1.080 294 Q CA 0.645 56.138 55.803 -0.516 0.000 0.906 294 Q CB 0.127 28.215 28.738 -1.082 0.000 1.227 294 Q HN 0.035 nan 8.270 nan 0.000 0.409 295 N N 4.274 123.102 118.700 0.215 0.000 2.599 295 N HA 0.045 4.774 4.740 -0.019 0.000 0.283 295 N C -1.865 173.825 175.510 0.300 0.000 1.160 295 N CA -0.433 52.733 53.050 0.194 0.000 0.869 295 N CB 1.195 39.800 38.487 0.196 0.000 1.448 295 N HN 0.533 nan 8.380 nan 0.000 0.535 296 Y N 2.238 122.594 120.300 0.094 0.000 2.404 296 Y HA 0.509 5.048 4.550 -0.018 0.000 0.344 296 Y C -1.194 174.794 175.900 0.147 0.000 0.970 296 Y CA -0.808 57.431 58.100 0.232 0.000 1.180 296 Y CB 0.142 38.697 38.460 0.157 0.000 1.138 296 Y HN 0.230 nan 8.280 nan 0.000 0.510 297 F N 6.144 126.117 119.950 0.039 0.000 2.462 297 F HA 0.427 4.943 4.527 -0.019 0.000 0.354 297 F C 1.381 177.106 175.800 -0.125 0.000 1.192 297 F CA 0.057 57.986 58.000 -0.118 0.000 1.173 297 F CB 0.355 39.357 39.000 0.002 0.000 1.402 297 F HN 0.863 nan 8.300 nan 0.000 0.595 298 A N 1.948 124.475 122.820 -0.488 0.000 1.892 298 A HA -0.204 4.105 4.320 -0.019 0.000 0.218 298 A C 2.260 179.958 177.584 0.190 0.000 1.188 298 A CA 2.585 54.525 52.037 -0.162 0.000 0.631 298 A CB -0.820 18.023 19.000 -0.262 0.000 0.822 298 A HN 0.598 nan 8.150 nan 0.000 0.447 299 T N -0.740 113.860 114.554 0.077 0.000 2.698 299 T HA 0.064 4.402 4.350 -0.019 0.000 0.260 299 T C 2.033 176.747 174.700 0.024 0.000 1.044 299 T CA 1.378 63.520 62.100 0.070 0.000 1.149 299 T CB -0.774 68.106 68.868 0.019 0.000 0.864 299 T HN 0.558 nan 8.240 nan 0.000 0.419 300 G N 0.913 109.719 108.800 0.011 0.000 2.408 300 G HA2 -0.125 3.824 3.960 -0.019 0.000 0.217 300 G HA3 -0.125 3.824 3.960 -0.019 0.000 0.217 300 G C 1.465 176.331 174.900 -0.056 0.000 1.150 300 G CA 0.547 45.579 45.100 -0.113 0.000 0.776 300 G HN 0.506 nan 8.290 nan 0.000 0.542 301 E N -1.102 119.148 120.200 0.084 0.000 2.166 301 E HA 0.078 4.417 4.350 -0.019 0.000 0.192 301 E C 1.811 178.411 176.600 -0.001 0.000 0.967 301 E CA 0.417 56.824 56.400 0.012 0.000 0.840 301 E CB 0.067 29.787 29.700 0.033 0.000 0.795 301 E HN 0.574 nan 8.360 nan 0.000 0.470 302 Y N -0.045 120.424 120.300 0.282 0.000 2.507 302 Y HA 0.281 4.820 4.550 -0.019 0.000 0.263 302 Y C 0.031 176.152 175.900 0.369 0.000 1.093 302 Y CA -0.029 58.322 58.100 0.418 0.000 1.285 302 Y CB 0.604 39.413 38.460 0.582 0.000 1.115 302 Y HN -0.158 nan 8.280 nan 0.000 0.533 303 L N 0.790 122.231 121.223 0.363 0.000 2.805 303 L HA -0.199 4.129 4.340 -0.019 0.000 0.688 303 L C 1.083 178.103 176.870 0.249 0.000 1.050 303 L CA -0.003 54.957 54.840 0.200 0.000 1.362 303 L CB -1.598 40.535 42.059 0.124 0.000 1.968 303 L HN 0.166 nan 8.230 nan 0.000 0.923 304 V N -0.371 119.698 119.914 0.258 0.000 2.469 304 V HA -0.134 3.975 4.120 -0.019 0.000 0.251 304 V C 2.203 178.458 176.094 0.270 0.000 1.064 304 V CA 2.250 64.755 62.300 0.342 0.000 1.066 304 V CB -0.592 31.409 31.823 0.297 0.000 0.667 304 V HN 0.844 nan 8.190 nan 0.000 0.461 305 G N -0.619 108.201 108.800 0.034 0.000 2.450 305 G HA2 -0.325 3.624 3.960 -0.019 0.000 0.220 305 G HA3 -0.325 3.624 3.960 -0.019 0.000 0.220 305 G C 1.571 176.555 174.900 0.140 0.000 1.130 305 G CA 0.922 45.986 45.100 -0.060 0.000 0.760 305 G HN 0.643 nan 8.290 nan 0.000 0.557 306 Q N -0.759 119.013 119.800 -0.046 0.000 2.181 306 Q HA -0.138 4.191 4.340 -0.019 0.000 0.205 306 Q C 1.108 176.920 176.000 -0.313 0.000 0.980 306 Q CA 1.122 56.769 55.803 -0.259 0.000 0.862 306 Q CB -0.139 28.259 28.738 -0.566 0.000 0.905 306 Q HN 0.629 nan 8.270 nan 0.000 0.429 307 Y N -0.466 119.985 120.300 0.251 0.000 2.571 307 Y HA 0.433 4.971 4.550 -0.019 0.000 0.275 307 Y C 0.314 176.393 175.900 0.299 0.000 1.179 307 Y CA -0.341 57.912 58.100 0.255 0.000 1.242 307 Y CB -0.119 38.507 38.460 0.277 0.000 1.126 307 Y HN 0.060 nan 8.280 nan 0.000 0.524 308 A N 1.017 124.089 122.820 0.419 0.000 2.546 308 A HA 0.055 4.364 4.320 -0.019 0.000 0.243 308 A C 0.340 178.119 177.584 0.326 0.000 1.063 308 A CA -0.192 52.124 52.037 0.466 0.000 0.757 308 A CB -0.255 19.023 19.000 0.463 0.000 0.991 308 A HN 0.598 nan 8.150 nan 0.000 0.503 309 N N 1.001 119.901 118.700 0.333 0.000 2.503 309 N HA 0.252 4.981 4.740 -0.019 0.000 0.267 309 N C -0.343 175.260 175.510 0.156 0.000 1.214 309 N CA -0.307 52.877 53.050 0.224 0.000 0.959 309 N CB 0.639 39.249 38.487 0.206 0.000 1.142 309 N HN 0.557 nan 8.380 nan 0.000 0.455 310 S N 1.398 117.150 115.700 0.087 0.000 2.474 310 S HA 0.207 4.666 4.470 -0.019 0.000 0.276 310 S C 0.044 174.662 174.600 0.030 0.000 1.227 310 S CA -0.576 57.638 58.200 0.024 0.000 1.050 310 S CB 0.028 63.219 63.200 -0.015 0.000 0.939 310 S HN 0.269 nan 8.310 nan 0.000 0.490 311 L N 3.855 125.106 121.223 0.048 0.000 2.290 311 L HA 0.359 4.688 4.340 -0.019 0.000 0.284 311 L C 0.475 177.381 176.870 0.060 0.000 1.078 311 L CA -0.599 54.306 54.840 0.108 0.000 0.815 311 L CB 0.472 42.688 42.059 0.261 0.000 1.162 311 L HN 0.423 nan 8.230 nan 0.000 0.435 312 E N 3.036 123.272 120.200 0.060 0.000 2.259 312 E HA 0.226 4.565 4.350 -0.019 0.000 0.281 312 E C -0.445 176.230 176.600 0.125 0.000 1.027 312 E CA -0.894 55.536 56.400 0.051 0.000 0.838 312 E CB 2.049 31.761 29.700 0.020 0.000 1.066 312 E HN 0.276 nan 8.360 nan 0.000 0.401 313 L N 1.890 123.208 121.223 0.159 0.000 2.490 313 L HA 0.219 4.548 4.340 -0.019 0.000 0.274 313 L C 1.368 178.286 176.870 0.079 0.000 1.201 313 L CA 1.792 56.735 54.840 0.171 0.000 0.869 313 L CB 0.249 42.419 42.059 0.186 0.000 1.123 313 L HN 0.794 nan 8.230 nan 0.000 0.484 314 G N 1.972 110.801 108.800 0.050 0.000 2.320 314 G HA2 -0.350 3.599 3.960 -0.019 0.000 0.242 314 G HA3 -0.350 3.599 3.960 -0.019 0.000 0.242 314 G C 0.884 175.795 174.900 0.019 0.000 1.033 314 G CA 0.493 45.608 45.100 0.025 0.000 0.620 314 G HN 0.789 nan 8.290 nan 0.000 0.517 315 C N -0.361 118.954 119.300 0.025 0.000 2.598 315 C HA 0.319 4.768 4.460 -0.019 0.000 0.291 315 C C 2.260 177.255 174.990 0.008 0.000 1.437 315 C CA 1.303 60.327 59.018 0.010 0.000 1.864 315 C CB -0.534 27.207 27.740 0.003 0.000 2.068 315 C HN 0.517 nan 8.230 nan 0.000 0.618 316 D N 0.038 120.454 120.400 0.028 0.000 2.201 316 D HA 0.040 4.668 4.640 -0.019 0.000 0.209 316 D C 0.199 176.552 176.300 0.088 0.000 0.961 316 D CA 1.086 55.111 54.000 0.042 0.000 0.861 316 D CB 0.086 40.920 40.800 0.057 0.000 0.997 316 D HN 0.411 nan 8.370 nan 0.000 0.486 317 c N 1.796 120.438 118.600 0.070 0.000 2.346 317 c HA 0.529 5.088 4.570 -0.019 0.000 0.326 317 c C -0.295 173.740 174.090 -0.091 0.000 1.224 317 c CA -1.148 55.167 56.329 -0.023 0.000 1.408 317 c CB 0.774 43.262 42.510 -0.036 0.000 2.089 317 c HN 0.155 nan 8.230 nan 0.000 0.456 318 L N 4.067 125.202 121.223 -0.146 0.000 2.309 318 L HA 0.954 5.283 4.340 -0.019 0.000 0.282 318 L C 0.519 177.288 176.870 -0.168 0.000 1.036 318 L CA 1.768 56.544 54.840 -0.108 0.000 0.806 318 L CB 0.958 42.989 42.059 -0.045 0.000 1.220 318 L HN 1.127 nan 8.230 nan 0.000 0.429 319 G N 3.334 112.082 108.800 -0.086 0.000 2.428 319 G HA2 -0.150 3.799 3.960 -0.019 0.000 0.202 319 G HA3 -0.150 3.799 3.960 -0.019 0.000 0.202 319 G C -1.074 173.803 174.900 -0.039 0.000 1.247 319 G CA -0.215 44.855 45.100 -0.051 0.000 1.020 319 G HN 0.749 nan 8.290 nan 0.000 0.529 320 D N 0.866 121.269 120.400 0.005 0.000 2.422 320 D HA 0.470 5.099 4.640 -0.019 0.000 0.227 320 D C -0.255 176.064 176.300 0.032 0.000 1.190 320 D CA -0.088 53.922 54.000 0.017 0.000 0.905 320 D CB 0.279 41.096 40.800 0.028 0.000 1.034 320 D HN 0.305 nan 8.370 nan 0.000 0.507 321 I N 2.176 122.716 120.570 -0.050 0.000 2.392 321 I HA 0.182 4.341 4.170 -0.019 0.000 0.295 321 I C 0.661 176.689 176.117 -0.150 0.000 0.985 321 I CA -0.353 60.862 61.300 -0.142 0.000 1.221 321 I CB 2.046 39.791 38.000 -0.425 0.000 1.366 321 I HN 0.084 nan 8.210 nan 0.000 0.467 322 T N 5.765 120.290 114.554 -0.047 0.000 2.770 322 T HA 0.495 4.834 4.350 -0.019 0.000 0.283 322 T C -0.747 173.904 174.700 -0.083 0.000 0.988 322 T CA -0.285 61.841 62.100 0.043 0.000 0.957 322 T CB 0.193 69.247 68.868 0.309 0.000 0.930 322 T HN 0.113 nan 8.240 nan 0.000 0.443 323 Y N 2.082 122.436 120.300 0.089 0.000 2.376 323 Y HA 0.643 5.182 4.550 -0.018 0.000 0.325 323 Y C 0.267 176.183 175.900 0.027 0.000 1.199 323 Y CA -1.218 56.912 58.100 0.050 0.000 1.206 323 Y CB 0.995 39.475 38.460 0.034 0.000 1.229 323 Y HN 0.356 nan 8.280 nan 0.000 0.480 324 L N 1.264 122.602 121.223 0.191 0.000 2.362 324 L HA 0.512 4.841 4.340 -0.019 0.000 0.271 324 L C -0.635 176.240 176.870 0.007 0.000 1.002 324 L CA -0.662 54.219 54.840 0.068 0.000 0.818 324 L CB 2.075 44.143 42.059 0.014 0.000 1.298 324 L HN 0.533 nan 8.230 nan 0.000 0.420 325 S N 3.132 118.810 115.700 -0.037 0.000 2.269 325 S HA 0.312 4.771 4.470 -0.019 0.000 0.194 325 S C -2.342 172.178 174.600 -0.132 0.000 1.547 325 S CA -1.001 57.144 58.200 -0.093 0.000 1.186 325 S CB 0.703 63.868 63.200 -0.058 0.000 1.069 325 S HN 0.394 nan 8.310 nan 0.000 0.473 326 P HA 0.189 nan 4.420 nan 0.000 0.269 326 P C -0.700 176.508 177.300 -0.153 0.000 1.215 326 P CA -0.221 62.726 63.100 -0.255 0.000 0.780 326 P CB 0.755 32.056 31.700 -0.665 0.000 0.898 327 V N 3.857 123.747 119.914 -0.040 0.000 2.555 327 V HA 0.441 4.550 4.120 -0.019 0.000 0.302 327 V C 0.609 176.730 176.094 0.044 0.000 1.038 327 V CA -0.622 61.675 62.300 -0.005 0.000 0.887 327 V CB 1.539 33.365 31.823 0.005 0.000 0.991 327 V HN 0.509 nan 8.190 nan 0.000 0.434 328 I N 1.179 121.766 120.570 0.030 0.000 3.239 328 I HA 0.701 4.860 4.170 -0.019 0.000 0.314 328 I C -0.250 175.860 176.117 -0.012 0.000 1.126 328 I CA -0.856 60.461 61.300 0.027 0.000 0.973 328 I CB 1.861 39.886 38.000 0.042 0.000 1.252 328 I HN 0.585 nan 8.210 nan 0.000 0.463 329 S N 1.319 116.993 115.700 -0.044 0.000 2.616 329 S HA 0.463 4.921 4.470 -0.019 0.000 0.277 329 S C -0.425 174.144 174.600 -0.052 0.000 1.234 329 S CA -0.417 57.753 58.200 -0.051 0.000 1.028 329 S CB 0.661 63.815 63.200 -0.078 0.000 0.988 329 S HN 0.811 nan 8.310 nan 0.000 0.522 330 D N 2.184 122.567 120.400 -0.028 0.000 2.506 330 D HA 0.430 5.059 4.640 -0.019 0.000 0.272 330 D C 1.117 177.343 176.300 -0.123 0.000 1.214 330 D CA -0.239 53.737 54.000 -0.041 0.000 1.067 330 D CB 0.179 41.007 40.800 0.046 0.000 1.117 330 D HN 0.479 nan 8.370 nan 0.000 0.578 331 A N -1.109 121.539 122.820 -0.286 0.000 2.178 331 A HA -0.016 4.293 4.320 -0.019 0.000 0.218 331 A C 1.304 178.518 177.584 -0.616 0.000 1.157 331 A CA 0.744 52.480 52.037 -0.503 0.000 0.689 331 A CB -0.928 17.644 19.000 -0.713 0.000 0.787 331 A HN 0.455 nan 8.150 nan 0.000 0.465 332 F N -1.850 118.106 119.950 0.009 0.000 2.678 332 F HA 0.413 4.929 4.527 -0.019 0.000 0.305 332 F C 1.721 177.515 175.800 -0.009 0.000 1.090 332 F CA 0.233 58.236 58.000 0.005 0.000 1.272 332 F CB 0.257 39.259 39.000 0.003 0.000 1.060 332 F HN 0.282 nan 8.300 nan 0.000 0.576 333 G N 0.177 109.027 108.800 0.082 0.000 2.176 333 G HA2 -0.253 3.696 3.960 -0.019 0.000 0.232 333 G HA3 -0.253 3.696 3.960 -0.019 0.000 0.232 333 G C 0.030 174.944 174.900 0.024 0.000 0.986 333 G CA -0.457 44.661 45.100 0.030 0.000 0.643 333 G HN 0.257 nan 8.290 nan 0.000 0.522 334 N N 2.103 120.844 118.700 0.068 0.000 2.529 334 N HA 0.428 5.157 4.740 -0.019 0.000 0.278 334 N C -2.490 173.029 175.510 0.016 0.000 1.146 334 N CA -1.018 52.057 53.050 0.042 0.000 0.980 334 N CB 1.559 40.089 38.487 0.072 0.000 1.124 334 N HN 0.211 nan 8.380 nan 0.000 0.458 335 P HA 0.207 nan 4.420 nan 0.000 0.275 335 P C -0.639 176.661 177.300 0.001 0.000 1.227 335 P CA -0.121 62.972 63.100 -0.011 0.000 0.781 335 P CB 1.241 32.928 31.700 -0.021 0.000 0.906 336 R N 1.713 122.212 120.500 -0.001 0.000 2.532 336 R HA 0.262 4.591 4.340 -0.019 0.000 0.297 336 R C -0.552 175.742 176.300 -0.010 0.000 0.984 336 R CA -0.606 55.495 56.100 0.000 0.000 0.884 336 R CB 1.598 31.902 30.300 0.006 0.000 1.182 336 R HN 0.486 nan 8.270 nan 0.000 0.442 337 E N 5.173 125.364 120.200 -0.016 0.000 2.249 337 E HA 0.189 4.528 4.350 -0.019 0.000 0.280 337 E C -0.678 175.896 176.600 -0.044 0.000 1.016 337 E CA -0.506 55.873 56.400 -0.035 0.000 0.830 337 E CB 0.955 30.636 29.700 -0.032 0.000 1.081 337 E HN 0.542 nan 8.360 nan 0.000 0.395 338 I N 5.000 125.521 120.570 -0.081 0.000 2.276 338 I HA 0.182 4.341 4.170 -0.019 0.000 0.290 338 I C 0.162 176.220 176.117 -0.099 0.000 1.109 338 I CA -0.644 60.605 61.300 -0.084 0.000 1.229 338 I CB 0.381 38.297 38.000 -0.141 0.000 1.452 338 I HN 0.349 nan 8.210 nan 0.000 0.497 339 R N 6.382 126.838 120.500 -0.073 0.000 2.484 339 R HA 0.013 4.342 4.340 -0.019 0.000 0.293 339 R C 0.461 176.682 176.300 -0.131 0.000 1.023 339 R CA 0.449 56.492 56.100 -0.094 0.000 1.037 339 R CB -0.166 30.083 30.300 -0.085 0.000 0.951 339 R HN 0.566 nan 8.270 nan 0.000 0.418 340 N N 2.379 120.981 118.700 -0.164 0.000 2.725 340 N HA -0.179 4.550 4.740 -0.019 0.000 0.251 340 N C 0.496 175.988 175.510 -0.030 0.000 1.031 340 N CA 1.236 54.149 53.050 -0.227 0.000 0.720 340 N CB -1.236 36.811 38.487 -0.733 0.000 0.930 340 N HN 0.851 nan 8.380 nan 0.000 0.543 341 G N -1.352 107.428 108.800 -0.034 0.000 2.623 341 G HA2 0.209 4.158 3.960 -0.019 0.000 0.214 341 G HA3 0.209 4.158 3.960 -0.019 0.000 0.214 341 G C 0.402 175.347 174.900 0.074 0.000 1.138 341 G CA 0.438 45.530 45.100 -0.014 0.000 0.794 341 G HN 0.333 nan 8.290 nan 0.000 0.535 342 I N 0.246 120.871 120.570 0.092 0.000 2.466 342 I HA 0.374 4.533 4.170 -0.019 0.000 0.289 342 I C -0.629 175.606 176.117 0.196 0.000 1.026 342 I CA -1.068 60.313 61.300 0.135 0.000 1.078 342 I CB 1.932 39.949 38.000 0.028 0.000 1.249 342 I HN -0.204 nan 8.210 nan 0.000 0.429 343 c N 6.847 125.540 118.600 0.155 0.000 2.341 343 c HA 0.766 5.325 4.570 -0.019 0.000 0.338 343 c C -0.042 174.052 174.090 0.007 0.000 1.257 343 c CA -0.693 55.659 56.329 0.039 0.000 1.883 343 c CB 0.417 42.980 42.510 0.089 0.000 2.334 343 c HN 0.648 nan 8.230 nan 0.000 0.524 344 M N 5.554 125.118 119.600 -0.059 0.000 2.267 344 M HA 0.503 4.972 4.480 -0.019 0.000 0.289 344 M C -0.689 175.574 176.300 -0.062 0.000 1.043 344 M CA -0.173 55.017 55.300 -0.183 0.000 0.928 344 M CB 1.938 34.338 32.600 -0.333 0.000 1.613 344 M HN 0.962 nan 8.290 nan 0.000 0.450 345 H N 0.897 119.795 119.070 -0.286 0.000 2.950 345 H HA 0.484 5.029 4.556 -0.018 0.000 0.307 345 H C -2.114 173.131 175.328 -0.139 0.000 1.403 345 H CA -1.005 55.028 56.048 -0.025 0.000 1.145 345 H CB 1.201 30.975 29.762 0.020 0.000 1.844 345 H HN 0.751 nan 8.280 nan 0.000 0.515 346 E N 1.025 121.263 120.200 0.063 0.000 2.221 346 E HA 0.541 4.879 4.350 -0.019 0.000 0.268 346 E C -0.931 175.718 176.600 0.083 0.000 0.933 346 E CA -0.922 55.413 56.400 -0.110 0.000 0.809 346 E CB 2.904 32.674 29.700 0.117 0.000 1.190 346 E HN 0.731 nan 8.360 nan 0.000 0.406 347 E N 1.631 121.852 120.200 0.035 0.000 2.383 347 E HA 0.251 4.590 4.350 -0.019 0.000 0.275 347 E C -1.456 175.263 176.600 0.199 0.000 0.918 347 E CA -1.016 55.475 56.400 0.151 0.000 0.764 347 E CB 1.512 31.316 29.700 0.172 0.000 1.252 347 E HN 0.521 nan 8.360 nan 0.000 0.449 348 D N 1.275 121.803 120.400 0.214 0.000 2.414 348 D HA -0.043 4.586 4.640 -0.019 0.000 0.242 348 D C -0.944 175.559 176.300 0.339 0.000 1.129 348 D CA 0.081 54.216 54.000 0.225 0.000 0.885 348 D CB 0.546 41.428 40.800 0.138 0.000 1.198 348 D HN 0.512 nan 8.370 nan 0.000 0.437 349 W N 5.947 127.287 121.300 0.067 0.000 1.340 349 W HA 0.376 5.024 4.660 -0.019 0.000 0.301 349 W C 0.285 176.841 176.519 0.061 0.000 0.834 349 W CA 0.050 57.434 57.345 0.065 0.000 2.473 349 W CB 0.079 29.618 29.460 0.131 0.000 1.837 349 W HN 0.841 nan 8.180 nan 0.000 0.528 350 G N 1.955 110.690 108.800 -0.108 0.000 2.575 350 G HA2 -0.331 3.618 3.960 -0.019 0.000 0.267 350 G HA3 -0.331 3.618 3.960 -0.019 0.000 0.267 350 G C -0.372 174.509 174.900 -0.032 0.000 1.264 350 G CA -0.098 44.917 45.100 -0.142 0.000 0.935 350 G HN 0.095 nan 8.290 nan 0.000 0.568 351 I N 1.271 121.812 120.570 -0.047 0.000 2.496 351 I HA 0.233 4.392 4.170 -0.019 0.000 0.285 351 I C 1.562 177.707 176.117 0.047 0.000 1.080 351 I CA -0.081 61.219 61.300 0.000 0.000 1.404 351 I CB 0.893 38.886 38.000 -0.013 0.000 1.403 351 I HN 0.634 nan 8.210 nan 0.000 0.539 352 L N 6.401 127.669 121.223 0.076 0.000 2.200 352 L HA 0.484 4.812 4.340 -0.019 0.000 0.200 352 L C 0.604 177.535 176.870 0.102 0.000 1.072 352 L CA 1.020 55.927 54.840 0.112 0.000 0.787 352 L CB 0.124 42.259 42.059 0.127 0.000 0.957 352 L HN 0.706 nan 8.230 nan 0.000 0.459 353 A N -0.492 122.395 122.820 0.112 0.000 2.589 353 A HA 0.661 4.970 4.320 -0.019 0.000 0.296 353 A C -1.149 176.551 177.584 0.194 0.000 1.062 353 A CA -0.596 51.535 52.037 0.157 0.000 0.686 353 A CB 1.141 20.276 19.000 0.225 0.000 1.282 353 A HN 0.056 nan 8.150 nan 0.000 0.404 354 K N 0.840 121.360 120.400 0.200 0.000 2.557 354 K HA 0.585 4.894 4.320 -0.019 0.000 0.261 354 K C -2.220 174.532 176.600 0.252 0.000 0.932 354 K CA -0.527 55.891 56.287 0.217 0.000 0.829 354 K CB 1.822 34.384 32.500 0.103 0.000 1.358 354 K HN 1.111 nan 8.250 nan 0.000 0.430 355 H N 0.177 119.325 119.070 0.130 0.000 3.129 355 H HA 0.366 4.910 4.556 -0.019 0.000 0.342 355 H C -1.987 173.370 175.328 0.048 0.000 1.092 355 H CA -0.363 55.716 56.048 0.051 0.000 1.310 355 H CB 1.863 31.628 29.762 0.005 0.000 1.932 355 H HN 0.424 nan 8.280 nan 0.000 0.507 356 S N 4.060 119.427 115.700 -0.555 0.000 2.594 356 S HA 0.179 4.638 4.470 -0.019 0.000 0.322 356 S C -0.784 173.373 174.600 -0.738 0.000 1.085 356 S CA -0.691 57.245 58.200 -0.441 0.000 1.116 356 S CB 0.613 63.684 63.200 -0.216 0.000 0.979 356 S HN 0.665 nan 8.310 nan 0.000 0.465 357 D N 2.380 122.414 120.400 -0.610 0.000 2.249 357 D HA 0.307 4.936 4.640 -0.019 0.000 0.246 357 D C 1.286 177.458 176.300 -0.213 0.000 1.114 357 D CA -0.745 53.024 54.000 -0.385 0.000 0.854 357 D CB 0.712 41.471 40.800 -0.069 0.000 1.132 357 D HN 0.278 nan 8.370 nan 0.000 0.461 358 L N 2.626 123.676 121.223 -0.289 0.000 2.376 358 L HA 0.149 4.478 4.340 -0.019 0.000 0.219 358 L C 1.209 178.003 176.870 -0.126 0.000 1.133 358 L CA 0.636 55.313 54.840 -0.271 0.000 0.816 358 L CB -0.997 40.814 42.059 -0.414 0.000 0.933 358 L HN 0.520 nan 8.230 nan 0.000 0.449 359 W N 0.591 121.895 121.300 0.007 0.000 2.699 359 W HA 0.245 4.902 4.660 -0.006 0.000 0.265 359 W C 2.693 179.215 176.519 0.005 0.000 1.210 359 W CA 0.921 58.271 57.345 0.008 0.000 1.414 359 W CB -1.013 28.457 29.460 0.016 0.000 1.043 359 W HN 0.410 nan 8.180 nan 0.000 0.599 360 S N -0.467 115.366 115.700 0.222 0.000 2.501 360 S HA 0.238 4.697 4.470 -0.019 0.000 0.220 360 S C 1.804 176.449 174.600 0.074 0.000 0.997 360 S CA 1.008 59.286 58.200 0.131 0.000 0.919 360 S CB -0.190 63.078 63.200 0.113 0.000 0.778 360 S HN 0.378 nan 8.310 nan 0.000 0.523 361 G N 1.155 109.982 108.800 0.046 0.000 2.189 361 G HA2 -0.210 3.739 3.960 -0.019 0.000 0.267 361 G HA3 -0.210 3.739 3.960 -0.019 0.000 0.267 361 G C 0.026 174.927 174.900 0.002 0.000 0.975 361 G CA 0.320 45.429 45.100 0.014 0.000 0.644 361 G HN 0.519 nan 8.290 nan 0.000 0.537 362 I N 1.278 121.853 120.570 0.007 0.000 2.395 362 I HA 0.298 4.457 4.170 -0.019 0.000 0.289 362 I C -0.226 175.889 176.117 -0.005 0.000 1.023 362 I CA -0.788 60.524 61.300 0.020 0.000 1.350 362 I CB 0.952 38.981 38.000 0.049 0.000 1.409 362 I HN 0.010 nan 8.210 nan 0.000 0.507 363 N N 6.585 125.298 118.700 0.021 0.000 2.392 363 N HA 0.305 5.034 4.740 -0.019 0.000 0.283 363 N C -1.168 174.413 175.510 0.117 0.000 1.003 363 N CA -0.379 52.682 53.050 0.019 0.000 0.892 363 N CB 2.221 40.702 38.487 -0.011 0.000 1.193 363 N HN 0.488 nan 8.380 nan 0.000 0.487 364 Y N 0.933 121.221 120.300 -0.020 0.000 2.406 364 Y HA 0.492 5.032 4.550 -0.016 0.000 0.340 364 Y C -1.063 174.847 175.900 0.016 0.000 0.975 364 Y CA -0.309 57.798 58.100 0.011 0.000 1.056 364 Y CB 1.675 40.157 38.460 0.038 0.000 1.210 364 Y HN 0.349 nan 8.280 nan 0.000 0.448 365 T N 6.814 121.196 114.554 -0.288 0.000 2.993 365 T HA 0.591 4.930 4.350 -0.019 0.000 0.312 365 T C -1.347 173.128 174.700 -0.374 0.000 1.115 365 T CA -1.009 60.966 62.100 -0.208 0.000 1.027 365 T CB 1.284 70.098 68.868 -0.091 0.000 1.116 365 T HN 0.428 nan 8.240 nan 0.000 0.464 366 R N 1.806 122.166 120.500 -0.233 0.000 2.673 366 R HA 0.539 4.868 4.340 -0.019 0.000 0.281 366 R C -0.530 175.749 176.300 -0.036 0.000 0.991 366 R CA -0.832 55.166 56.100 -0.170 0.000 0.896 366 R CB 2.455 32.664 30.300 -0.151 0.000 1.201 366 R HN 0.563 nan 8.270 nan 0.000 0.457 367 R N 1.040 121.535 120.500 -0.007 0.000 2.536 367 R HA 0.345 4.674 4.340 -0.019 0.000 0.279 367 R C 0.185 176.548 176.300 0.106 0.000 1.001 367 R CA -0.844 55.282 56.100 0.044 0.000 1.027 367 R CB 0.955 31.278 30.300 0.039 0.000 1.096 367 R HN 0.379 nan 8.270 nan 0.000 0.502 368 N N 0.741 119.540 118.700 0.165 0.000 2.477 368 N HA 0.398 5.126 4.740 -0.019 0.000 0.284 368 N C -0.947 174.764 175.510 0.336 0.000 1.182 368 N CA -0.343 52.871 53.050 0.273 0.000 0.949 368 N CB 1.158 39.861 38.487 0.360 0.000 1.204 368 N HN 0.412 nan 8.380 nan 0.000 0.526 369 R N -0.277 120.467 120.500 0.407 0.000 2.710 369 R HA 0.509 4.837 4.340 -0.019 0.000 0.270 369 R C -0.949 175.579 176.300 0.380 0.000 1.021 369 R CA -0.837 55.510 56.100 0.412 0.000 0.889 369 R CB 2.355 32.935 30.300 0.467 0.000 1.243 369 R HN 0.733 nan 8.270 nan 0.000 0.464 370 R N 0.798 121.333 120.500 0.059 0.000 2.698 370 R HA 0.526 4.855 4.340 -0.019 0.000 0.275 370 R C -1.303 174.530 176.300 -0.779 0.000 1.001 370 R CA -1.009 54.818 56.100 -0.455 0.000 0.896 370 R CB 1.661 31.283 30.300 -1.131 0.000 1.218 370 R HN 0.397 nan 8.270 nan 0.000 0.462 371 M N 2.702 121.527 119.600 -1.292 0.000 2.188 371 M HA 0.355 4.824 4.480 -0.019 0.000 0.357 371 M C -1.536 174.276 176.300 -0.813 0.000 1.204 371 M CA -0.569 53.902 55.300 -1.382 0.000 1.095 371 M CB 1.724 33.271 32.600 -1.755 0.000 1.604 371 M HN 0.522 nan 8.290 nan 0.000 0.464 372 V N 7.035 126.512 119.914 -0.728 0.000 2.495 372 V HA 0.578 4.687 4.120 -0.019 0.000 0.298 372 V C -0.516 175.342 176.094 -0.393 0.000 1.031 372 V CA -0.589 61.436 62.300 -0.460 0.000 0.871 372 V CB 1.659 33.176 31.823 -0.509 0.000 0.988 372 V HN 0.795 nan 8.190 nan 0.000 0.432 373 I N 4.597 125.036 120.570 -0.219 0.000 2.468 373 I HA 0.661 4.820 4.170 -0.019 0.000 0.285 373 I C -0.152 175.969 176.117 0.006 0.000 1.039 373 I CA -0.032 61.199 61.300 -0.115 0.000 1.074 373 I CB 2.005 39.937 38.000 -0.113 0.000 1.228 373 I HN 0.792 nan 8.210 nan 0.000 0.436 374 S N 5.536 121.249 115.700 0.021 0.000 2.656 374 S HA 0.868 5.327 4.470 -0.019 0.000 0.273 374 S C -0.977 173.731 174.600 0.180 0.000 1.168 374 S CA -0.732 57.444 58.200 -0.040 0.000 0.817 374 S CB 2.635 65.492 63.200 -0.572 0.000 1.146 374 S HN 0.568 nan 8.310 nan 0.000 0.475 375 F N -1.401 118.504 119.950 -0.074 0.000 2.686 375 F HA 0.897 5.413 4.527 -0.019 0.000 0.311 375 F C -2.255 173.630 175.800 0.142 0.000 1.128 375 F CA -1.650 56.405 58.000 0.091 0.000 0.946 375 F CB 0.943 40.040 39.000 0.163 0.000 1.336 375 F HN 0.634 nan 8.300 nan 0.000 0.457 376 F N 1.008 120.993 119.950 0.060 0.000 2.547 376 F HA 0.658 5.174 4.527 -0.019 0.000 0.316 376 F C -0.236 175.683 175.800 0.198 0.000 1.121 376 F CA -0.382 57.630 58.000 0.020 0.000 0.911 376 F CB 2.219 41.264 39.000 0.075 0.000 1.179 376 F HN 0.892 nan 8.300 nan 0.000 0.443 377 T N 2.308 117.108 114.554 0.410 0.000 2.942 377 T HA 0.719 5.058 4.350 -0.019 0.000 0.289 377 T C -1.103 173.876 174.700 0.465 0.000 1.044 377 T CA -0.277 62.123 62.100 0.499 0.000 1.023 377 T CB 1.387 70.582 68.868 0.545 0.000 1.123 377 T HN 0.573 nan 8.240 nan 0.000 0.512 378 T N 3.317 118.115 114.554 0.407 0.000 2.881 378 T HA 0.596 4.935 4.350 -0.019 0.000 0.291 378 T C -1.073 173.731 174.700 0.173 0.000 0.990 378 T CA -0.355 61.897 62.100 0.253 0.000 0.976 378 T CB 0.555 69.536 68.868 0.189 0.000 0.970 378 T HN 0.405 nan 8.240 nan 0.000 0.438 379 I N 3.361 123.987 120.570 0.093 0.000 2.495 379 I HA 0.549 4.708 4.170 -0.019 0.000 0.277 379 I C 1.036 177.037 176.117 -0.193 0.000 1.045 379 I CA 0.124 61.391 61.300 -0.056 0.000 1.135 379 I CB 0.796 38.861 38.000 0.108 0.000 1.241 379 I HN 0.926 nan 8.210 nan 0.000 0.469 380 G N 5.614 114.336 108.800 -0.130 0.000 2.574 380 G HA2 -0.311 3.638 3.960 -0.019 0.000 0.301 380 G HA3 -0.311 3.638 3.960 -0.019 0.000 0.301 380 G C 0.345 175.157 174.900 -0.146 0.000 1.166 380 G CA 0.409 45.472 45.100 -0.061 0.000 0.971 380 G HN 0.753 nan 8.290 nan 0.000 0.542 384 Y N 0.380 120.758 120.300 0.130 0.000 2.409 384 Y HA 0.711 5.250 4.550 -0.019 0.000 0.343 384 Y C 0.781 176.118 175.900 -0.937 0.000 0.973 384 Y CA -1.041 56.916 58.100 -0.237 0.000 1.064 384 Y CB 2.503 40.952 38.460 -0.019 0.000 1.207 384 Y HN 0.445 nan 8.280 nan 0.000 0.452 385 G N 2.413 110.482 108.800 -1.218 0.000 2.372 385 G HA2 0.575 4.524 3.960 -0.019 0.000 0.323 385 G HA3 0.575 4.524 3.960 -0.019 0.000 0.323 385 G C -1.672 172.822 174.900 -0.676 0.000 1.152 385 G CA -0.399 43.833 45.100 -1.446 0.000 0.906 385 G HN 0.325 nan 8.290 nan 0.000 0.460 386 F N 1.632 121.042 119.950 -0.900 0.000 2.402 386 F HA 0.488 5.004 4.527 -0.019 0.000 0.355 386 F C -0.666 174.707 175.800 -0.711 0.000 1.123 386 F CA -0.915 56.742 58.000 -0.572 0.000 1.021 386 F CB 1.690 40.511 39.000 -0.299 0.000 1.160 386 F HN 0.309 nan 8.300 nan 0.000 0.451 387 Y N 1.382 121.241 120.300 -0.734 0.000 2.350 387 Y HA 0.442 4.980 4.550 -0.019 0.000 0.338 387 Y C -1.091 174.082 175.900 -1.213 0.000 0.961 387 Y CA -1.571 56.044 58.100 -0.809 0.000 1.100 387 Y CB 1.363 39.295 38.460 -0.881 0.000 1.179 387 Y HN 0.517 nan 8.280 nan 0.000 0.454 388 W N 3.449 124.413 121.300 -0.560 0.000 2.529 388 W HA 0.612 5.261 4.660 -0.019 0.000 0.321 388 W C -1.417 174.698 176.519 -0.674 0.000 1.047 388 W CA -0.729 56.317 57.345 -0.497 0.000 1.216 388 W CB 1.146 30.483 29.460 -0.205 0.000 1.357 388 W HN 0.331 nan 8.180 nan 0.000 0.489 389 Y N 2.931 123.147 120.300 -0.140 0.000 2.446 389 Y HA 0.674 5.213 4.550 -0.019 0.000 0.345 389 Y C -0.262 175.360 175.900 -0.463 0.000 0.984 389 Y CA -1.712 56.124 58.100 -0.440 0.000 1.058 389 Y CB 1.196 39.287 38.460 -0.615 0.000 1.220 389 Y HN 0.066 nan 8.280 nan 0.000 0.455 390 L N 3.799 124.701 121.223 -0.536 0.000 2.356 390 L HA 0.526 4.855 4.340 -0.019 0.000 0.277 390 L C -1.257 175.428 176.870 -0.309 0.000 0.996 390 L CA -0.852 53.617 54.840 -0.619 0.000 0.822 390 L CB 1.379 42.743 42.059 -1.159 0.000 1.256 390 L HN 0.601 nan 8.230 nan 0.000 0.413 391 Y N 1.849 122.301 120.300 0.254 0.000 2.453 391 Y HA 0.319 4.858 4.550 -0.018 0.000 0.326 391 Y C 1.205 177.558 175.900 0.754 0.000 1.186 391 Y CA -0.745 57.620 58.100 0.441 0.000 1.200 391 Y CB 1.521 40.137 38.460 0.260 0.000 1.247 391 Y HN 0.448 nan 8.280 nan 0.000 0.482 392 L N 0.681 122.328 121.223 0.708 0.000 2.079 392 L HA -0.218 4.111 4.340 -0.019 0.000 0.210 392 L C 1.632 178.750 176.870 0.412 0.000 1.081 392 L CA 1.727 56.842 54.840 0.458 0.000 0.752 392 L CB -0.346 41.869 42.059 0.261 0.000 0.896 392 L HN 0.768 nan 8.230 nan 0.000 0.433 393 D N -0.526 120.101 120.400 0.378 0.000 2.363 393 D HA -0.005 4.624 4.640 -0.019 0.000 0.226 393 D C 1.423 177.829 176.300 0.178 0.000 1.020 393 D CA 0.882 54.996 54.000 0.190 0.000 0.892 393 D CB 0.208 41.091 40.800 0.138 0.000 0.900 393 D HN 0.346 nan 8.370 nan 0.000 0.531 394 G N -0.783 108.302 108.800 0.474 0.000 2.195 394 G HA2 -0.241 3.708 3.960 -0.019 0.000 0.224 394 G HA3 -0.241 3.708 3.960 -0.019 0.000 0.224 394 G C 0.419 175.812 174.900 0.822 0.000 0.990 394 G CA 0.165 45.579 45.100 0.523 0.000 0.639 394 G HN 0.459 nan 8.290 nan 0.000 0.514 395 T N 1.350 116.294 114.554 0.651 0.000 2.919 395 T HA 0.561 4.900 4.350 -0.019 0.000 0.302 395 T C 0.492 175.558 174.700 0.611 0.000 1.031 395 T CA 0.491 62.907 62.100 0.527 0.000 1.127 395 T CB 1.237 70.220 68.868 0.193 0.000 0.952 395 T HN 0.345 nan 8.240 nan 0.000 0.540 396 I N 2.418 123.268 120.570 0.467 0.000 2.465 396 I HA 0.503 4.662 4.170 -0.019 0.000 0.291 396 I C 0.043 176.318 176.117 0.264 0.000 1.014 396 I CA -0.646 60.830 61.300 0.293 0.000 1.093 396 I CB 1.977 40.119 38.000 0.238 0.000 1.267 396 I HN 0.615 nan 8.210 nan 0.000 0.431 397 E N 5.579 125.896 120.200 0.195 0.000 2.383 397 E HA 0.494 4.833 4.350 -0.019 0.000 0.275 397 E C -2.054 174.368 176.600 -0.297 0.000 0.918 397 E CA -0.631 55.769 56.400 0.001 0.000 0.764 397 E CB 2.788 32.616 29.700 0.213 0.000 1.252 397 E HN 0.414 nan 8.360 nan 0.000 0.449 398 F N 2.245 121.610 119.950 -0.975 0.000 2.532 398 F HA 0.529 5.045 4.527 -0.019 0.000 0.321 398 F C -1.194 174.035 175.800 -0.953 0.000 1.089 398 F CA -0.513 56.696 58.000 -1.318 0.000 0.926 398 F CB 1.838 39.692 39.000 -1.910 0.000 1.168 398 F HN 0.520 nan 8.300 nan 0.000 0.459 399 E N 4.199 123.261 120.200 -1.896 0.000 2.278 399 E HA 0.686 5.025 4.350 -0.019 0.000 0.272 399 E C -1.933 173.805 176.600 -1.437 0.000 0.890 399 E CA -0.953 54.717 56.400 -1.216 0.000 0.770 399 E CB 1.768 31.149 29.700 -0.532 0.000 1.212 399 E HN 0.873 nan 8.360 nan 0.000 0.415 400 A N 4.451 126.666 122.820 -1.009 0.000 2.317 400 A HA 0.569 4.878 4.320 -0.019 0.000 0.327 400 A C -0.808 176.511 177.584 -0.440 0.000 1.178 400 A CA -0.705 50.839 52.037 -0.821 0.000 0.817 400 A CB 0.865 19.250 19.000 -1.025 0.000 1.189 400 A HN 0.553 nan 8.150 nan 0.000 0.489 401 K N 1.658 121.870 120.400 -0.314 0.000 2.394 401 K HA 0.567 4.876 4.320 -0.019 0.000 0.260 401 K C -0.628 175.929 176.600 -0.071 0.000 0.967 401 K CA -0.294 55.902 56.287 -0.153 0.000 0.855 401 K CB 2.101 34.565 32.500 -0.061 0.000 1.101 401 K HN 0.741 nan 8.250 nan 0.000 0.433 402 A N 2.514 125.313 122.820 -0.036 0.000 2.274 402 A HA 0.584 4.893 4.320 -0.019 0.000 0.309 402 A C -0.036 177.499 177.584 -0.083 0.000 1.226 402 A CA -0.196 51.809 52.037 -0.052 0.000 0.853 402 A CB 1.299 20.212 19.000 -0.144 0.000 1.146 402 A HN 0.691 nan 8.150 nan 0.000 0.518 403 T N 0.694 115.184 114.554 -0.106 0.000 2.606 403 T HA 0.772 5.111 4.350 -0.019 0.000 0.289 403 T C 0.396 175.017 174.700 -0.132 0.000 1.113 403 T CA 1.070 63.131 62.100 -0.065 0.000 1.106 403 T CB 0.547 69.428 68.868 0.023 0.000 1.611 403 T HN 2.662 nan 8.240 nan 0.000 0.471 404 G N -0.091 108.628 108.800 -0.136 0.000 2.445 404 G HA2 0.016 3.965 3.960 -0.019 0.000 0.212 404 G HA3 0.016 3.965 3.960 -0.019 0.000 0.212 404 G C -1.161 173.610 174.900 -0.216 0.000 1.217 404 G CA -0.180 44.803 45.100 -0.196 0.000 1.002 404 G HN 1.373 nan 8.290 nan 0.000 0.574 405 V N 1.199 120.945 119.914 -0.279 0.000 2.555 405 V HA 0.629 4.738 4.120 -0.019 0.000 0.302 405 V C 1.062 177.045 176.094 -0.184 0.000 1.038 405 V CA -0.133 62.020 62.300 -0.245 0.000 0.887 405 V CB 1.263 32.845 31.823 -0.402 0.000 0.991 405 V HN 1.667 nan 8.190 nan 0.000 0.434 406 V N 2.033 121.991 119.914 0.072 0.000 2.843 406 V HA 0.375 4.484 4.120 -0.019 0.000 0.305 406 V C -0.121 176.013 176.094 0.068 0.000 1.065 406 V CA -0.300 62.083 62.300 0.139 0.000 1.116 406 V CB 0.253 32.230 31.823 0.257 0.000 0.968 406 V HN 0.617 nan 8.190 nan 0.000 0.487 407 F N 4.591 124.509 119.950 -0.053 0.000 2.504 407 F HA 0.487 5.003 4.527 -0.019 0.000 0.369 407 F C 1.037 176.900 175.800 0.105 0.000 1.082 407 F CA 0.571 58.550 58.000 -0.035 0.000 1.216 407 F CB 0.800 39.727 39.000 -0.122 0.000 1.108 407 F HN 1.002 nan 8.300 nan 0.000 0.554 408 T N 1.668 116.217 114.554 -0.007 0.000 2.937 408 T HA 0.837 5.176 4.350 -0.019 0.000 0.283 408 T C -0.233 174.544 174.700 0.128 0.000 1.012 408 T CA -0.218 61.942 62.100 0.100 0.000 0.997 408 T CB 1.629 70.534 68.868 0.061 0.000 1.136 408 T HN 0.746 nan 8.240 nan 0.000 0.551 409 S N -0.605 115.124 115.700 0.049 0.000 2.727 409 S HA 0.773 5.232 4.470 -0.019 0.000 0.278 409 S C -0.664 173.910 174.600 -0.044 0.000 1.186 409 S CA -0.776 57.407 58.200 -0.028 0.000 0.836 409 S CB 0.740 63.920 63.200 -0.032 0.000 1.186 409 S HN 1.428 nan 8.310 nan 0.000 0.499 410 A N 0.365 123.123 122.820 -0.103 0.000 2.286 410 A HA 0.740 5.049 4.320 -0.019 0.000 0.286 410 A C -0.924 176.707 177.584 0.078 0.000 1.097 410 A CA -0.458 51.579 52.037 -0.000 0.000 0.821 410 A CB 0.023 19.034 19.000 0.019 0.000 1.076 410 A HN 1.026 nan 8.150 nan 0.000 0.490 411 F N 3.503 123.456 119.950 0.005 0.000 2.385 411 F HA 0.489 5.005 4.527 -0.019 0.000 0.360 411 F C -1.852 173.986 175.800 0.064 0.000 1.122 411 F CA -2.615 55.389 58.000 0.006 0.000 1.090 411 F CB 1.215 40.205 39.000 -0.018 0.000 1.150 411 F HN 0.378 nan 8.300 nan 0.000 0.472 412 P HA -0.031 nan 4.420 nan 0.000 0.266 412 P C 0.433 177.566 177.300 -0.279 0.000 1.195 412 P CA 0.182 63.138 63.100 -0.240 0.000 0.768 412 P CB 0.971 32.533 31.700 -0.231 0.000 0.838 413 E N 2.717 122.858 120.200 -0.099 0.000 2.097 413 E HA -0.167 4.172 4.350 -0.019 0.000 0.196 413 E C 1.777 178.349 176.600 -0.048 0.000 1.000 413 E CA 1.628 58.007 56.400 -0.035 0.000 0.804 413 E CB -0.683 28.995 29.700 -0.036 0.000 0.740 413 E HN 0.713 nan 8.360 nan 0.000 0.454 414 G N -0.066 108.678 108.800 -0.092 0.000 3.124 414 G HA2 0.327 4.275 3.960 -0.019 0.000 0.212 414 G HA3 0.327 4.275 3.960 -0.019 0.000 0.212 414 G C 0.541 175.386 174.900 -0.092 0.000 1.181 414 G CA 0.332 45.391 45.100 -0.069 0.000 0.803 414 G HN 0.611 nan 8.290 nan 0.000 0.529 415 G N -1.248 107.432 108.800 -0.199 0.000 2.760 415 G HA2 0.221 4.170 3.960 -0.019 0.000 0.246 415 G HA3 0.221 4.170 3.960 -0.019 0.000 0.246 415 G C -0.332 174.353 174.900 -0.359 0.000 1.359 415 G CA 0.028 44.989 45.100 -0.232 0.000 0.861 415 G HN 1.364 nan 8.290 nan 0.000 0.541 416 S N -1.349 114.222 115.700 -0.216 0.000 2.537 416 S HA 0.616 5.074 4.470 -0.019 0.000 0.271 416 S C -0.359 174.209 174.600 -0.053 0.000 1.148 416 S CA 0.383 58.472 58.200 -0.185 0.000 0.868 416 S CB 1.770 64.780 63.200 -0.317 0.000 1.115 416 S HN 0.624 nan 8.310 nan 0.000 0.461 417 D N 2.317 122.682 120.400 -0.057 0.000 2.349 417 D HA 0.203 4.832 4.640 -0.019 0.000 0.214 417 D C 0.186 176.471 176.300 -0.026 0.000 1.063 417 D CA 0.365 54.381 54.000 0.027 0.000 0.847 417 D CB 0.076 40.904 40.800 0.048 0.000 0.933 417 D HN 0.607 nan 8.370 nan 0.000 0.513 418 N N -0.334 118.172 118.700 -0.323 0.000 2.184 418 N HA 0.263 4.992 4.740 -0.019 0.000 0.234 418 N C -0.382 174.370 175.510 -1.263 0.000 1.282 418 N CA 0.005 52.659 53.050 -0.661 0.000 0.877 418 N CB 1.711 40.074 38.487 -0.207 0.000 1.184 418 N HN -0.006 nan 8.380 nan 0.000 0.510 419 I N 0.300 120.247 120.570 -1.040 0.000 2.752 419 I HA 0.348 4.507 4.170 -0.019 0.000 0.295 419 I C -0.728 175.365 176.117 -0.040 0.000 1.219 419 I CA -0.984 60.006 61.300 -0.516 0.000 1.030 419 I CB 2.233 40.156 38.000 -0.130 0.000 1.259 419 I HN -0.049 nan 8.210 nan 0.000 0.423 420 S N 3.599 119.432 115.700 0.222 0.000 2.593 420 S HA 0.514 4.973 4.470 -0.019 0.000 0.297 420 S C -0.728 173.870 174.600 -0.003 0.000 1.112 420 S CA -0.822 57.543 58.200 0.275 0.000 1.043 420 S CB 2.090 65.515 63.200 0.375 0.000 1.054 420 S HN 0.668 nan 8.310 nan 0.000 0.516 421 Q N 0.874 120.410 119.800 -0.440 0.000 2.274 421 Q HA 0.435 4.764 4.340 -0.019 0.000 0.256 421 Q C -0.139 175.658 176.000 -0.339 0.000 0.927 421 Q CA -0.492 54.868 55.803 -0.738 0.000 0.939 421 Q CB 0.725 28.636 28.738 -1.378 0.000 1.201 421 Q HN 0.854 nan 8.270 nan 0.000 0.426 422 L N 2.137 123.182 121.223 -0.297 0.000 2.470 422 L HA 0.499 4.828 4.340 -0.019 0.000 0.219 422 L C 0.437 177.154 176.870 -0.253 0.000 1.071 422 L CA 0.145 54.836 54.840 -0.247 0.000 0.850 422 L CB 0.475 42.294 42.059 -0.400 0.000 1.040 422 L HN 0.622 nan 8.230 nan 0.000 0.475 423 A N -1.178 121.463 122.820 -0.299 0.000 2.581 423 A HA 0.619 4.928 4.320 -0.019 0.000 0.290 423 A C -2.722 174.778 177.584 -0.140 0.000 1.119 423 A CA -1.046 50.885 52.037 -0.178 0.000 0.670 423 A CB 0.321 19.210 19.000 -0.186 0.000 1.280 423 A HN -0.236 nan 8.150 nan 0.000 0.425 424 P HA 0.242 nan 4.420 nan 0.000 0.255 424 P C 1.020 178.323 177.300 0.005 0.000 1.173 424 P CA 2.498 65.586 63.100 -0.019 0.000 0.780 424 P CB 0.166 31.872 31.700 0.011 0.000 0.758 425 G N 2.359 111.188 108.800 0.047 0.000 2.189 425 G HA2 -0.284 3.664 3.960 -0.019 0.000 0.267 425 G HA3 -0.284 3.664 3.960 -0.019 0.000 0.267 425 G C -0.121 174.832 174.900 0.088 0.000 0.975 425 G CA -0.069 45.098 45.100 0.113 0.000 0.644 425 G HN 0.566 nan 8.290 nan 0.000 0.537 426 L N 1.631 122.838 121.223 -0.027 0.000 2.272 426 L HA 0.791 5.120 4.340 -0.019 0.000 0.289 426 L C 0.670 177.475 176.870 -0.108 0.000 1.032 426 L CA 0.125 54.890 54.840 -0.125 0.000 0.810 426 L CB 1.133 42.984 42.059 -0.348 0.000 1.205 426 L HN 0.363 nan 8.230 nan 0.000 0.422 427 G N 3.404 112.204 108.800 -0.000 0.000 2.489 427 G HA2 0.772 4.721 3.960 -0.019 0.000 0.327 427 G HA3 0.772 4.721 3.960 -0.019 0.000 0.327 427 G C -1.609 173.310 174.900 0.031 0.000 1.189 427 G CA -0.358 44.798 45.100 0.094 0.000 0.962 427 G HN 0.942 nan 8.290 nan 0.000 0.486 428 A N 1.421 124.297 122.820 0.093 0.000 2.522 428 A HA 0.750 5.058 4.320 -0.019 0.000 0.285 428 A C -2.816 174.896 177.584 0.214 0.000 1.198 428 A CA -1.327 50.798 52.037 0.147 0.000 0.742 428 A CB 1.572 20.650 19.000 0.129 0.000 1.176 428 A HN 0.400 nan 8.150 nan 0.000 0.444 429 P HA 0.162 nan 4.420 nan 0.000 0.265 429 P C -0.373 177.187 177.300 0.434 0.000 1.193 429 P CA 0.276 63.510 63.100 0.225 0.000 0.765 429 P CB 0.153 32.014 31.700 0.268 0.000 0.823 430 F N 3.743 123.799 119.950 0.175 0.000 2.506 430 F HA 0.204 4.720 4.527 -0.018 0.000 0.351 430 F C 1.644 177.388 175.800 -0.094 0.000 1.136 430 F CA 0.492 58.492 58.000 0.001 0.000 1.298 430 F CB -0.447 38.569 39.000 0.027 0.000 1.145 430 F HN 0.500 nan 8.300 nan 0.000 0.593 431 H N -0.173 118.753 119.070 -0.239 0.000 2.902 431 H HA 0.510 5.055 4.556 -0.019 0.000 0.297 431 H C -1.799 173.246 175.328 -0.472 0.000 1.406 431 H CA -1.116 54.600 56.048 -0.554 0.000 1.134 431 H CB 1.406 30.422 29.762 -1.242 0.000 1.833 431 H HN 0.580 nan 8.280 nan 0.000 0.527 432 Q N 0.061 119.583 119.800 -0.463 0.000 2.451 432 Q HA 0.376 4.705 4.340 -0.019 0.000 0.281 432 Q C -1.124 174.633 176.000 -0.405 0.000 1.099 432 Q CA -0.964 54.613 55.803 -0.377 0.000 0.806 432 Q CB 2.946 31.521 28.738 -0.273 0.000 1.419 432 Q HN 0.528 nan 8.270 nan 0.000 0.427 433 H N 1.483 120.481 119.070 -0.119 0.000 2.887 433 H HA 0.437 4.982 4.556 -0.019 0.000 0.300 433 H C -0.901 174.258 175.328 -0.282 0.000 1.038 433 H CA -0.200 55.740 56.048 -0.181 0.000 1.352 433 H CB 0.653 30.419 29.762 0.006 0.000 1.473 433 H HN 0.446 nan 8.280 nan 0.000 0.503 434 I N 4.045 124.399 120.570 -0.359 0.000 2.406 434 I HA 0.246 4.405 4.170 -0.019 0.000 0.290 434 I C -0.534 175.303 176.117 -0.467 0.000 0.999 434 I CA -0.610 60.510 61.300 -0.300 0.000 1.124 434 I CB 1.056 38.913 38.000 -0.239 0.000 1.289 434 I HN 0.184 nan 8.210 nan 0.000 0.441 435 F N 3.089 122.741 119.950 -0.496 0.000 2.483 435 F HA 0.547 5.063 4.527 -0.018 0.000 0.329 435 F C 0.562 176.122 175.800 -0.399 0.000 1.064 435 F CA -0.918 56.741 58.000 -0.569 0.000 0.986 435 F CB 1.798 40.150 39.000 -1.080 0.000 1.218 435 F HN 0.260 nan 8.300 nan 0.000 0.484 436 S N 1.131 116.843 115.700 0.021 0.000 2.756 436 S HA 0.776 5.235 4.470 -0.019 0.000 0.303 436 S C -0.977 173.711 174.600 0.147 0.000 1.135 436 S CA -0.525 57.731 58.200 0.094 0.000 1.066 436 S CB 0.464 63.577 63.200 -0.146 0.000 1.008 436 S HN 0.855 nan 8.310 nan 0.000 0.482 437 A N 4.772 127.738 122.820 0.244 0.000 2.260 437 A HA 0.633 4.942 4.320 -0.019 0.000 0.308 437 A C 0.141 177.726 177.584 0.002 0.000 1.254 437 A CA -0.684 51.452 52.037 0.165 0.000 0.874 437 A CB 0.383 19.470 19.000 0.145 0.000 1.153 437 A HN 0.857 nan 8.150 nan 0.000 0.527 438 R N 3.461 123.889 120.500 -0.121 0.000 2.215 438 R HA 0.528 4.857 4.340 -0.019 0.000 0.336 438 R C -1.554 174.538 176.300 -0.347 0.000 0.996 438 R CA -0.335 55.480 56.100 -0.475 0.000 0.847 438 R CB 0.265 30.142 30.300 -0.705 0.000 1.127 438 R HN 0.709 nan 8.270 nan 0.000 0.465 439 L N 4.565 125.583 121.223 -0.341 0.000 2.313 439 L HA 0.251 4.580 4.340 -0.019 0.000 0.273 439 L C -0.448 176.301 176.870 -0.203 0.000 1.028 439 L CA -0.865 53.857 54.840 -0.196 0.000 0.871 439 L CB 1.414 43.419 42.059 -0.090 0.000 1.242 439 L HN 0.565 nan 8.230 nan 0.000 0.434 440 D N 4.921 125.213 120.400 -0.180 0.000 2.383 440 D HA 0.151 4.780 4.640 -0.019 0.000 0.245 440 D C 0.203 176.494 176.300 -0.015 0.000 1.263 440 D CA -0.220 53.732 54.000 -0.080 0.000 0.936 440 D CB 0.611 41.382 40.800 -0.047 0.000 1.053 440 D HN 0.143 nan 8.370 nan 0.000 0.507 441 M N 2.309 121.919 119.600 0.017 0.000 2.240 441 M HA 0.380 4.849 4.480 -0.019 0.000 0.333 441 M C 0.429 176.772 176.300 0.071 0.000 1.110 441 M CA -0.433 54.882 55.300 0.025 0.000 1.173 441 M CB 0.788 33.411 32.600 0.039 0.000 1.458 441 M HN 0.504 nan 8.290 nan 0.000 0.458 442 A N 3.035 125.833 122.820 -0.036 0.000 3.368 442 A HA 0.364 4.673 4.320 -0.019 0.000 0.211 442 A C -0.402 177.110 177.584 -0.120 0.000 1.004 442 A CA -0.557 51.384 52.037 -0.161 0.000 1.059 442 A CB 0.082 18.829 19.000 -0.423 0.000 1.298 442 A HN 0.602 nan 8.150 nan 0.000 0.613 443 I N 1.593 122.153 120.570 -0.018 0.000 2.680 443 I HA 0.036 4.195 4.170 -0.019 0.000 0.286 443 I C 0.510 176.690 176.117 0.105 0.000 1.144 443 I CA 0.919 62.273 61.300 0.090 0.000 1.370 443 I CB -0.895 37.198 38.000 0.155 0.000 1.420 443 I HN 0.486 nan 8.210 nan 0.000 0.540 444 D N 4.941 125.424 120.400 0.138 0.000 2.911 444 D HA -0.167 4.462 4.640 -0.019 0.000 0.227 444 D C 0.629 176.893 176.300 -0.060 0.000 1.164 444 D CA 1.707 55.718 54.000 0.018 0.000 0.782 444 D CB -0.725 40.040 40.800 -0.058 0.000 1.094 444 D HN 1.124 nan 8.370 nan 0.000 0.425 445 G N -2.347 106.372 108.800 -0.136 0.000 2.343 445 G HA2 -0.020 3.929 3.960 -0.019 0.000 0.465 445 G HA3 -0.020 3.929 3.960 -0.019 0.000 0.465 445 G C 0.115 174.877 174.900 -0.231 0.000 1.282 445 G CA -0.381 44.584 45.100 -0.225 0.000 0.996 445 G HN 0.011 nan 8.290 nan 0.000 0.521 446 F N 0.811 120.756 119.950 -0.009 0.000 2.710 446 F HA 0.234 4.750 4.527 -0.018 0.000 0.298 446 F C 2.245 178.047 175.800 0.004 0.000 1.137 446 F CA 1.077 59.067 58.000 -0.016 0.000 1.444 446 F CB 0.318 39.294 39.000 -0.041 0.000 1.111 446 F HN 0.270 nan 8.300 nan 0.000 0.580 447 T N 2.303 116.955 114.554 0.163 0.000 2.987 447 T HA 0.156 4.495 4.350 -0.019 0.000 0.288 447 T C -0.041 174.716 174.700 0.097 0.000 0.981 447 T CA -0.005 62.164 62.100 0.114 0.000 1.031 447 T CB -0.726 68.188 68.868 0.078 0.000 0.976 447 T HN 0.205 nan 8.240 nan 0.000 0.612 448 N N 2.125 120.891 118.700 0.110 0.000 2.453 448 N HA 0.776 5.505 4.740 -0.019 0.000 0.290 448 N C -0.440 175.127 175.510 0.095 0.000 1.250 448 N CA -1.339 51.771 53.050 0.101 0.000 0.815 448 N CB 2.026 40.579 38.487 0.110 0.000 1.381 448 N HN 0.490 nan 8.380 nan 0.000 0.510 449 R N -1.100 119.456 120.500 0.094 0.000 2.710 449 R HA 0.628 4.957 4.340 -0.019 0.000 0.270 449 R C -2.073 174.290 176.300 0.105 0.000 1.021 449 R CA -0.811 55.345 56.100 0.093 0.000 0.889 449 R CB 0.976 31.324 30.300 0.080 0.000 1.243 449 R HN 0.184 nan 8.270 nan 0.000 0.464 450 V N 1.238 121.220 119.914 0.113 0.000 2.555 450 V HA 0.425 4.534 4.120 -0.019 0.000 0.302 450 V C -0.505 175.677 176.094 0.148 0.000 1.038 450 V CA -0.702 61.682 62.300 0.140 0.000 0.887 450 V CB 1.755 33.666 31.823 0.147 0.000 0.991 450 V HN 0.763 nan 8.190 nan 0.000 0.434 451 E N 2.412 122.706 120.200 0.157 0.000 2.222 451 E HA 0.435 4.773 4.350 -0.019 0.000 0.267 451 E C -0.939 175.750 176.600 0.148 0.000 0.884 451 E CA -0.649 55.828 56.400 0.128 0.000 0.764 451 E CB 2.806 32.550 29.700 0.074 0.000 1.169 451 E HN 0.723 nan 8.360 nan 0.000 0.413 452 E N 2.639 122.911 120.200 0.120 0.000 2.167 452 E HA 0.075 4.414 4.350 -0.019 0.000 0.284 452 E C -1.007 175.516 176.600 -0.128 0.000 1.016 452 E CA -0.270 56.114 56.400 -0.026 0.000 0.817 452 E CB 0.923 30.675 29.700 0.086 0.000 1.080 452 E HN 0.406 nan 8.360 nan 0.000 0.397 453 E N 4.271 124.319 120.200 -0.254 0.000 2.133 453 E HA 0.189 4.528 4.350 -0.019 0.000 0.274 453 E C -1.283 175.193 176.600 -0.206 0.000 0.930 453 E CA -0.786 55.509 56.400 -0.174 0.000 0.770 453 E CB 0.954 30.572 29.700 -0.136 0.000 1.104 453 E HN 0.398 nan 8.360 nan 0.000 0.403 454 D N 2.565 122.891 120.400 -0.123 0.000 2.457 454 D HA 0.263 4.892 4.640 -0.019 0.000 0.240 454 D C -0.526 175.744 176.300 -0.049 0.000 1.041 454 D CA -0.553 53.384 54.000 -0.104 0.000 0.861 454 D CB 2.172 42.926 40.800 -0.078 0.000 1.394 454 D HN 0.164 nan 8.370 nan 0.000 0.473 455 V N 1.270 121.159 119.914 -0.043 0.000 2.811 455 V HA 0.214 4.322 4.120 -0.019 0.000 0.302 455 V C 0.175 176.275 176.094 0.011 0.000 1.063 455 V CA -0.217 62.081 62.300 -0.002 0.000 1.088 455 V CB 1.428 33.222 31.823 -0.049 0.000 0.982 455 V HN 0.269 nan 8.190 nan 0.000 0.485 456 V N 5.868 125.819 119.914 0.061 0.000 2.407 456 V HA 0.430 4.539 4.120 -0.019 0.000 0.291 456 V C 0.184 176.329 176.094 0.086 0.000 1.018 456 V CA -0.778 61.554 62.300 0.054 0.000 0.842 456 V CB 1.509 33.361 31.823 0.049 0.000 0.996 456 V HN 0.812 nan 8.190 nan 0.000 0.426 457 R N 3.431 123.961 120.500 0.050 0.000 2.490 457 R HA 0.556 4.885 4.340 -0.019 0.000 0.278 457 R C -0.501 175.835 176.300 0.060 0.000 1.069 457 R CA -0.445 55.692 56.100 0.061 0.000 1.080 457 R CB 1.110 31.422 30.300 0.020 0.000 1.030 457 R HN 0.665 nan 8.270 nan 0.000 0.491 458 Q N 0.433 120.277 119.800 0.073 0.000 2.345 458 Q HA 0.290 4.619 4.340 -0.019 0.000 0.268 458 Q C -0.785 175.238 176.000 0.039 0.000 1.054 458 Q CA -0.672 55.161 55.803 0.050 0.000 0.835 458 Q CB 2.608 31.377 28.738 0.052 0.000 1.339 458 Q HN 0.465 nan 8.270 nan 0.000 0.447 459 T N 2.055 116.625 114.554 0.026 0.000 2.897 459 T HA 0.248 4.587 4.350 -0.019 0.000 0.294 459 T C 0.060 174.772 174.700 0.018 0.000 1.004 459 T CA -0.382 61.730 62.100 0.020 0.000 1.106 459 T CB 0.509 69.386 68.868 0.014 0.000 0.949 459 T HN 0.458 nan 8.240 nan 0.000 0.520 460 M N 2.902 122.513 119.600 0.017 0.000 2.239 460 M HA 0.436 4.905 4.480 -0.019 0.000 0.348 460 M C 0.529 176.836 176.300 0.010 0.000 1.239 460 M CA 0.925 56.234 55.300 0.015 0.000 1.114 460 M CB -0.414 32.195 32.600 0.014 0.000 1.641 460 M HN 0.930 nan 8.290 nan 0.000 0.453 461 G N 4.460 113.266 108.800 0.009 0.000 2.351 461 G HA2 0.178 4.127 3.960 -0.019 0.000 0.279 461 G HA3 0.178 4.127 3.960 -0.019 0.000 0.279 461 G C -3.319 171.584 174.900 0.004 0.000 1.297 461 G CA -1.055 44.049 45.100 0.006 0.000 0.886 461 G HN 0.475 nan 8.290 nan 0.000 0.493 462 P HA 0.272 nan 4.420 nan 0.000 0.261 462 P C 1.065 178.365 177.300 0.000 0.000 1.183 462 P CA 2.056 65.156 63.100 0.001 0.000 0.761 462 P CB 0.693 32.393 31.700 0.001 0.000 0.785 463 G N 3.009 111.808 108.800 -0.002 0.000 2.217 463 G HA2 -0.264 3.685 3.960 -0.019 0.000 0.246 463 G HA3 -0.264 3.685 3.960 -0.019 0.000 0.246 463 G C 0.400 175.298 174.900 -0.005 0.000 0.990 463 G CA 0.337 45.434 45.100 -0.004 0.000 0.627 463 G HN 0.707 nan 8.290 nan 0.000 0.522 464 N N 0.118 118.818 118.700 -0.001 0.000 2.620 464 N HA 0.345 5.074 4.740 -0.019 0.000 0.277 464 N C 0.920 176.433 175.510 0.005 0.000 1.726 464 N CA 0.474 53.526 53.050 0.002 0.000 0.840 464 N CB 0.423 38.914 38.487 0.006 0.000 1.379 464 N HN 0.136 nan 8.380 nan 0.000 0.506 465 E N 0.095 120.297 120.200 0.003 0.000 2.160 465 E HA -0.050 4.289 4.350 -0.019 0.000 0.195 465 E C 1.181 177.785 176.600 0.007 0.000 0.991 465 E CA 1.243 57.645 56.400 0.004 0.000 0.810 465 E CB 0.103 29.804 29.700 0.002 0.000 0.742 465 E HN 0.404 nan 8.360 nan 0.000 0.466 466 R N -0.854 119.651 120.500 0.008 0.000 2.310 466 R HA 0.149 4.478 4.340 -0.019 0.000 0.202 466 R C 0.801 177.111 176.300 0.017 0.000 0.933 466 R CA 0.501 56.608 56.100 0.011 0.000 1.054 466 R CB 0.330 30.636 30.300 0.010 0.000 0.985 466 R HN 0.231 nan 8.270 nan 0.000 0.489 467 G N 2.214 111.025 108.800 0.019 0.000 2.249 467 G HA2 -0.352 3.597 3.960 -0.019 0.000 0.273 467 G HA3 -0.352 3.597 3.960 -0.019 0.000 0.273 467 G C 0.256 175.181 174.900 0.042 0.000 1.036 467 G CA 0.922 46.038 45.100 0.028 0.000 0.824 467 G HN 0.678 nan 8.290 nan 0.000 0.504 468 N N -0.927 117.800 118.700 0.044 0.000 2.294 468 N HA 0.517 5.246 4.740 -0.019 0.000 0.186 468 N C 1.276 176.844 175.510 0.095 0.000 1.107 468 N CA 0.668 53.759 53.050 0.069 0.000 0.884 468 N CB 0.309 38.823 38.487 0.045 0.000 1.030 468 N HN 0.868 nan 8.380 nan 0.000 0.482 469 A N 0.607 123.457 122.820 0.049 0.000 2.498 469 A HA 0.420 4.729 4.320 -0.019 0.000 0.239 469 A C -0.496 177.166 177.584 0.129 0.000 1.068 469 A CA -0.124 51.921 52.037 0.013 0.000 0.766 469 A CB -0.357 18.633 19.000 -0.016 0.000 1.003 469 A HN 0.511 nan 8.150 nan 0.000 0.497 470 F N 0.199 120.144 119.950 -0.007 0.000 2.654 470 F HA 0.793 5.310 4.527 -0.017 0.000 0.308 470 F C -0.332 175.462 175.800 -0.010 0.000 1.108 470 F CA -0.381 57.614 58.000 -0.009 0.000 0.957 470 F CB 0.932 39.926 39.000 -0.009 0.000 1.309 470 F HN 0.637 nan 8.300 nan 0.000 0.446 471 S N 1.177 117.019 115.700 0.237 0.000 3.331 471 S HA 0.898 5.357 4.470 -0.019 0.000 0.316 471 S C -1.416 173.279 174.600 0.157 0.000 1.104 471 S CA -0.620 57.640 58.200 0.100 0.000 0.977 471 S CB 1.473 64.690 63.200 0.027 0.000 1.370 471 S HN 1.152 nan 8.310 nan 0.000 0.731 472 R N 0.192 120.735 120.500 0.073 0.000 2.716 472 R HA 0.658 4.987 4.340 -0.019 0.000 0.271 472 R C -1.975 174.337 176.300 0.020 0.000 1.028 472 R CA -1.061 55.069 56.100 0.050 0.000 0.883 472 R CB 1.109 31.436 30.300 0.046 0.000 1.250 472 R HN 0.702 nan 8.270 nan 0.000 0.465 473 K N 1.035 121.437 120.400 0.003 0.000 2.477 473 K HA 0.597 4.905 4.320 -0.019 0.000 0.255 473 K C -1.176 175.416 176.600 -0.012 0.000 0.952 473 K CA -1.206 55.080 56.287 -0.001 0.000 0.826 473 K CB 2.776 35.276 32.500 0.001 0.000 1.331 473 K HN 0.607 nan 8.250 nan 0.000 0.437 474 R N 0.937 121.435 120.500 -0.003 0.000 2.561 474 R HA 0.387 4.716 4.340 -0.019 0.000 0.297 474 R C -1.169 175.139 176.300 0.014 0.000 0.969 474 R CA -0.929 55.171 56.100 -0.001 0.000 0.879 474 R CB 2.569 32.873 30.300 0.006 0.000 1.178 474 R HN 0.657 nan 8.270 nan 0.000 0.445 475 T N 2.284 116.852 114.554 0.024 0.000 2.791 475 T HA 0.232 4.571 4.350 -0.019 0.000 0.288 475 T C -0.057 174.679 174.700 0.061 0.000 0.999 475 T CA -0.583 61.540 62.100 0.039 0.000 0.952 475 T CB 1.567 70.459 68.868 0.040 0.000 0.938 475 T HN 0.143 nan 8.240 nan 0.000 0.444 476 V N 5.194 125.142 119.914 0.056 0.000 2.555 476 V HA 0.232 4.341 4.120 -0.019 0.000 0.286 476 V C 0.351 176.488 176.094 0.072 0.000 1.044 476 V CA -0.525 61.816 62.300 0.067 0.000 1.026 476 V CB 0.504 32.360 31.823 0.055 0.000 0.981 476 V HN 0.716 nan 8.190 nan 0.000 0.480 477 L N 5.518 126.794 121.223 0.088 0.000 2.268 477 L HA 0.262 4.591 4.340 -0.019 0.000 0.289 477 L C 1.509 178.422 176.870 0.072 0.000 1.064 477 L CA -0.156 54.734 54.840 0.082 0.000 0.824 477 L CB 0.893 43.011 42.059 0.097 0.000 1.202 477 L HN 0.906 nan 8.230 nan 0.000 0.433 478 T N -0.575 114.014 114.554 0.059 0.000 3.035 478 T HA 0.153 4.492 4.350 -0.019 0.000 0.259 478 T C 0.977 175.709 174.700 0.054 0.000 1.078 478 T CA 0.143 62.275 62.100 0.054 0.000 1.132 478 T CB 0.323 69.217 68.868 0.044 0.000 0.900 478 T HN 0.331 nan 8.240 nan 0.000 0.480 479 R N 0.615 121.146 120.500 0.052 0.000 2.795 479 R HA 0.436 4.765 4.340 -0.019 0.000 0.275 479 R C 0.608 176.942 176.300 0.057 0.000 0.981 479 R CA -0.547 55.584 56.100 0.051 0.000 0.917 479 R CB 1.571 31.895 30.300 0.041 0.000 1.202 479 R HN 0.239 nan 8.270 nan 0.000 0.469 480 E N 0.431 120.670 120.200 0.066 0.000 2.160 480 E HA -0.189 4.149 4.350 -0.019 0.000 0.195 480 E C 1.390 178.027 176.600 0.061 0.000 0.991 480 E CA 1.976 58.424 56.400 0.079 0.000 0.810 480 E CB 0.136 29.892 29.700 0.093 0.000 0.742 480 E HN 0.630 nan 8.360 nan 0.000 0.466 481 S N 1.202 116.929 115.700 0.045 0.000 2.442 481 S HA -0.191 4.268 4.470 -0.019 0.000 0.236 481 S C 1.612 176.217 174.600 0.008 0.000 1.007 481 S CA 1.374 59.590 58.200 0.027 0.000 0.965 481 S CB -0.287 62.927 63.200 0.024 0.000 0.773 481 S HN 0.477 nan 8.310 nan 0.000 0.504 482 E N 0.204 120.413 120.200 0.015 0.000 2.558 482 E HA 0.513 4.852 4.350 -0.019 0.000 0.205 482 E C 0.762 177.366 176.600 0.006 0.000 1.006 482 E CA 0.152 56.556 56.400 0.007 0.000 0.961 482 E CB 0.397 30.110 29.700 0.021 0.000 1.044 482 E HN 0.493 nan 8.360 nan 0.000 0.465 483 A N 1.005 123.827 122.820 0.003 0.000 2.610 483 A HA 0.328 4.637 4.320 -0.019 0.000 0.286 483 A C 0.125 177.655 177.584 -0.090 0.000 1.306 483 A CA -0.273 51.766 52.037 0.004 0.000 0.942 483 A CB 0.276 19.315 19.000 0.065 0.000 1.112 483 A HN 0.115 nan 8.150 nan 0.000 0.527 484 V N 2.800 122.592 119.914 -0.204 0.000 2.294 484 V HA 0.381 4.490 4.120 -0.019 0.000 0.272 484 V C -0.406 175.464 176.094 -0.373 0.000 1.027 484 V CA -0.707 61.284 62.300 -0.514 0.000 0.823 484 V CB 0.452 31.879 31.823 -0.660 0.000 1.030 484 V HN 0.477 nan 8.190 nan 0.000 0.457 485 R N 3.114 123.409 120.500 -0.341 0.000 2.787 485 R HA 0.718 5.047 4.340 -0.019 0.000 0.271 485 R C -0.388 175.865 176.300 -0.079 0.000 0.993 485 R CA -0.703 55.326 56.100 -0.119 0.000 0.993 485 R CB 1.839 32.177 30.300 0.062 0.000 1.155 485 R HN 0.645 nan 8.270 nan 0.000 0.486 486 E N 0.391 120.648 120.200 0.095 0.000 2.235 486 E HA 0.593 4.932 4.350 -0.019 0.000 0.265 486 E C -0.628 176.173 176.600 0.334 0.000 0.940 486 E CA -1.032 55.450 56.400 0.137 0.000 0.819 486 E CB 2.065 31.809 29.700 0.074 0.000 1.206 486 E HN 0.626 nan 8.360 nan 0.000 0.409 487 A N 1.259 124.274 122.820 0.326 0.000 2.313 487 A HA 0.275 4.584 4.320 -0.019 0.000 0.261 487 A C -0.267 177.424 177.584 0.177 0.000 1.090 487 A CA -0.069 52.189 52.037 0.369 0.000 0.807 487 A CB 0.411 19.615 19.000 0.339 0.000 1.055 487 A HN 0.605 nan 8.150 nan 0.000 0.492 488 D N -0.046 120.410 120.400 0.092 0.000 2.527 488 D HA 0.411 5.040 4.640 -0.019 0.000 0.242 488 D C 0.696 176.999 176.300 0.005 0.000 1.285 488 D CA 0.281 54.303 54.000 0.035 0.000 0.886 488 D CB 0.680 41.482 40.800 0.003 0.000 1.402 488 D HN 0.472 nan 8.370 nan 0.000 0.528 489 A N 2.872 125.713 122.820 0.035 0.000 1.940 489 A HA -0.174 4.134 4.320 -0.019 0.000 0.219 489 A C 2.075 179.657 177.584 -0.005 0.000 1.176 489 A CA 1.364 53.416 52.037 0.025 0.000 0.631 489 A CB -0.247 18.781 19.000 0.048 0.000 0.814 489 A HN 0.503 nan 8.150 nan 0.000 0.446 490 R N -0.316 120.181 120.500 -0.005 0.000 2.127 490 R HA -0.139 4.190 4.340 -0.019 0.000 0.238 490 R C 1.590 177.867 176.300 -0.040 0.000 1.134 490 R CA 1.904 57.992 56.100 -0.020 0.000 0.975 490 R CB -0.315 29.977 30.300 -0.013 0.000 0.865 490 R HN 0.642 nan 8.270 nan 0.000 0.447 491 T N -3.610 110.917 114.554 -0.043 0.000 3.176 491 T HA 0.234 4.573 4.350 -0.019 0.000 0.263 491 T C 0.814 175.468 174.700 -0.077 0.000 1.021 491 T CA 0.188 62.252 62.100 -0.060 0.000 0.905 491 T CB 0.806 69.642 68.868 -0.053 0.000 1.057 491 T HN 0.339 nan 8.240 nan 0.000 0.558 492 G N 2.450 111.208 108.800 -0.069 0.000 2.356 492 G HA2 -0.344 3.605 3.960 -0.019 0.000 0.296 492 G HA3 -0.344 3.605 3.960 -0.019 0.000 0.296 492 G C 0.027 174.850 174.900 -0.129 0.000 1.022 492 G CA 0.257 45.315 45.100 -0.070 0.000 0.961 492 G HN 0.912 nan 8.290 nan 0.000 0.510 493 R N 0.519 120.904 120.500 -0.191 0.000 2.489 493 R HA 0.442 4.771 4.340 -0.019 0.000 0.287 493 R C 0.866 176.798 176.300 -0.613 0.000 1.053 493 R CA 0.888 56.751 56.100 -0.395 0.000 1.036 493 R CB 0.261 30.313 30.300 -0.413 0.000 0.966 493 R HN 0.454 nan 8.270 nan 0.000 0.432 494 T N 0.656 114.767 114.554 -0.737 0.000 2.838 494 T HA 0.539 4.878 4.350 -0.019 0.000 0.292 494 T C -0.999 173.178 174.700 -0.871 0.000 1.113 494 T CA -0.952 60.722 62.100 -0.708 0.000 1.008 494 T CB 1.264 69.889 68.868 -0.404 0.000 1.259 494 T HN 0.557 nan 8.240 nan 0.000 0.520 495 W N 0.575 121.819 121.300 -0.093 0.000 2.839 495 W HA 0.592 5.242 4.660 -0.018 0.000 0.334 495 W C -1.160 175.333 176.519 -0.044 0.000 1.064 495 W CA -1.164 56.152 57.345 -0.049 0.000 1.236 495 W CB 1.683 31.122 29.460 -0.035 0.000 1.405 495 W HN 0.584 nan 8.180 nan 0.000 0.478 496 I N 4.310 124.975 120.570 0.157 0.000 2.354 496 I HA 0.291 4.450 4.170 -0.019 0.000 0.292 496 I C -0.354 175.851 176.117 0.146 0.000 0.989 496 I CA -0.980 60.390 61.300 0.117 0.000 1.188 496 I CB 1.348 39.387 38.000 0.064 0.000 1.342 496 I HN 0.073 nan 8.210 nan 0.000 0.457 497 I N 6.118 126.781 120.570 0.154 0.000 2.321 497 I HA 0.299 4.458 4.170 -0.019 0.000 0.291 497 I C 0.332 176.538 176.117 0.148 0.000 0.998 497 I CA 0.324 61.709 61.300 0.142 0.000 1.227 497 I CB 1.329 39.405 38.000 0.128 0.000 1.368 497 I HN 0.601 nan 8.210 nan 0.000 0.466 498 S N 4.180 119.955 115.700 0.124 0.000 2.667 498 S HA 0.604 5.062 4.470 -0.019 0.000 0.292 498 S C -0.798 173.861 174.600 0.098 0.000 1.126 498 S CA -0.924 57.347 58.200 0.119 0.000 0.881 498 S CB 1.991 65.246 63.200 0.092 0.000 1.132 498 S HN 0.502 nan 8.310 nan 0.000 0.492 499 N N 1.753 120.502 118.700 0.083 0.000 2.518 499 N HA 0.382 5.111 4.740 -0.019 0.000 0.254 499 N C -2.016 173.515 175.510 0.036 0.000 0.979 499 N CA -2.293 50.791 53.050 0.057 0.000 0.930 499 N CB 1.707 40.219 38.487 0.043 0.000 1.152 499 N HN 0.402 nan 8.380 nan 0.000 0.505 500 P HA -0.049 nan 4.420 nan 0.000 0.225 500 P C 0.059 177.367 177.300 0.015 0.000 1.148 500 P CA 1.115 64.231 63.100 0.027 0.000 0.779 500 P CB 0.541 32.261 31.700 0.034 0.000 0.780 501 E N -0.797 119.410 120.200 0.013 0.000 2.481 501 E HA 0.125 4.464 4.350 -0.019 0.000 0.198 501 E C 0.301 176.893 176.600 -0.015 0.000 1.027 501 E CA -0.015 56.386 56.400 0.003 0.000 0.900 501 E CB 0.364 30.070 29.700 0.010 0.000 0.993 501 E HN 0.017 nan 8.360 nan 0.000 0.482 502 S N 1.237 116.922 115.700 -0.025 0.000 2.707 502 S HA 0.303 4.762 4.470 -0.019 0.000 0.312 502 S C -0.924 173.633 174.600 -0.071 0.000 1.116 502 S CA -0.731 57.434 58.200 -0.058 0.000 1.078 502 S CB 0.485 63.636 63.200 -0.082 0.000 0.997 502 S HN -0.042 nan 8.310 nan 0.000 0.477 503 K N 2.950 123.307 120.400 -0.071 0.000 2.156 503 K HA 0.418 4.727 4.320 -0.019 0.000 0.250 503 K C -0.023 176.521 176.600 -0.093 0.000 0.955 503 K CA -1.022 55.224 56.287 -0.068 0.000 0.855 503 K CB 0.987 33.462 32.500 -0.042 0.000 1.101 503 K HN 0.758 nan 8.250 nan 0.000 0.434 504 N N 0.395 119.041 118.700 -0.089 0.000 2.366 504 N HA 0.014 4.743 4.740 -0.019 0.000 0.277 504 N C 0.692 176.167 175.510 -0.057 0.000 1.275 504 N CA -0.455 52.539 53.050 -0.093 0.000 0.964 504 N CB 0.298 38.736 38.487 -0.081 0.000 1.167 504 N HN 0.572 nan 8.380 nan 0.000 0.568 505 R N -0.736 119.738 120.500 -0.044 0.000 2.293 505 R HA 0.021 4.350 4.340 -0.019 0.000 0.219 505 R C 0.485 176.772 176.300 -0.022 0.000 1.091 505 R CA 1.086 57.169 56.100 -0.029 0.000 1.004 505 R CB -0.702 29.586 30.300 -0.020 0.000 0.865 505 R HN 0.563 nan 8.270 nan 0.000 0.469 506 L N 1.044 122.254 121.223 -0.022 0.000 2.653 506 L HA 0.167 4.496 4.340 -0.019 0.000 0.231 506 L C 0.223 177.083 176.870 -0.017 0.000 1.153 506 L CA -0.084 54.746 54.840 -0.017 0.000 0.933 506 L CB -0.622 41.430 42.059 -0.013 0.000 1.175 506 L HN 0.447 nan 8.230 nan 0.000 0.473 507 N N 1.299 119.986 118.700 -0.022 0.000 2.747 507 N HA -0.160 4.569 4.740 -0.019 0.000 0.249 507 N C -0.361 175.139 175.510 -0.017 0.000 1.107 507 N CA 0.186 53.224 53.050 -0.020 0.000 0.707 507 N CB -0.021 38.457 38.487 -0.015 0.000 1.054 507 N HN 0.352 nan 8.380 nan 0.000 0.555 508 E N 0.286 120.473 120.200 -0.021 0.000 2.199 508 E HA 0.380 4.719 4.350 -0.019 0.000 0.269 508 E C -2.526 174.063 176.600 -0.019 0.000 0.899 508 E CA -1.717 54.675 56.400 -0.014 0.000 0.772 508 E CB 1.671 31.365 29.700 -0.010 0.000 1.155 508 E HN 0.125 nan 8.360 nan 0.000 0.408 509 P HA -0.072 nan 4.420 nan 0.000 0.264 509 P C -0.024 177.277 177.300 0.002 0.000 1.193 509 P CA -0.021 63.078 63.100 -0.003 0.000 0.763 509 P CB 0.341 32.051 31.700 0.017 0.000 0.810 510 V N 1.898 121.799 119.914 -0.022 0.000 2.963 510 V HA 0.730 4.839 4.120 -0.019 0.000 0.306 510 V C 0.600 176.778 176.094 0.140 0.000 1.077 510 V CA 0.259 62.557 62.300 -0.004 0.000 1.124 510 V CB 0.311 32.021 31.823 -0.188 0.000 0.987 510 V HN 0.739 nan 8.190 nan 0.000 0.487 511 G N 2.024 110.963 108.800 0.232 0.000 2.600 511 G HA2 0.597 4.545 3.960 -0.019 0.000 0.293 511 G HA3 0.597 4.545 3.960 -0.019 0.000 0.293 511 G C -2.329 172.715 174.900 0.241 0.000 1.408 511 G CA -0.742 44.508 45.100 0.250 0.000 0.782 511 G HN 0.737 nan 8.290 nan 0.000 0.482 512 Y N -0.078 120.254 120.300 0.054 0.000 2.442 512 Y HA 0.611 5.151 4.550 -0.018 0.000 0.344 512 Y C 0.106 176.030 175.900 0.040 0.000 0.976 512 Y CA -0.807 57.306 58.100 0.021 0.000 1.040 512 Y CB 2.767 41.212 38.460 -0.025 0.000 1.228 512 Y HN 0.496 nan 8.280 nan 0.000 0.451 513 K N 4.175 124.626 120.400 0.086 0.000 2.265 513 K HA 0.500 4.808 4.320 -0.019 0.000 0.267 513 K C -1.582 175.008 176.600 -0.017 0.000 0.994 513 K CA -0.847 55.438 56.287 -0.004 0.000 0.860 513 K CB 0.909 33.340 32.500 -0.116 0.000 1.099 513 K HN 0.635 nan 8.250 nan 0.000 0.448 514 L N 5.625 126.852 121.223 0.006 0.000 2.281 514 L HA 0.239 4.568 4.340 -0.019 0.000 0.285 514 L C -1.052 175.783 176.870 -0.059 0.000 1.074 514 L CA 0.144 55.022 54.840 0.064 0.000 0.817 514 L CB 0.449 42.571 42.059 0.104 0.000 1.168 514 L HN 0.635 nan 8.230 nan 0.000 0.434 515 H N 5.389 124.566 119.070 0.178 0.000 2.581 515 H HA 0.568 5.113 4.556 -0.019 0.000 0.308 515 H C -0.283 175.180 175.328 0.225 0.000 1.040 515 H CA -0.319 55.830 56.048 0.168 0.000 1.231 515 H CB 1.442 31.291 29.762 0.144 0.000 1.396 515 H HN 0.843 nan 8.280 nan 0.000 0.467 516 A N 2.630 125.649 122.820 0.332 0.000 2.264 516 A HA 0.220 4.529 4.320 -0.019 0.000 0.304 516 A C 0.583 178.456 177.584 0.481 0.000 1.100 516 A CA -0.535 51.736 52.037 0.389 0.000 0.839 516 A CB 0.547 19.815 19.000 0.448 0.000 1.121 516 A HN 0.914 nan 8.150 nan 0.000 0.496 517 H N 0.669 119.921 119.070 0.304 0.000 2.548 517 H HA -0.002 4.543 4.556 -0.019 0.000 0.268 517 H C -0.126 175.321 175.328 0.198 0.000 0.975 517 H CA 0.259 56.435 56.048 0.214 0.000 1.195 517 H CB 0.182 30.061 29.762 0.194 0.000 1.397 517 H HN 0.751 nan 8.280 nan 0.000 0.572 518 N N 1.966 120.888 118.700 0.369 0.000 2.735 518 N HA -0.165 4.563 4.740 -0.019 0.000 0.248 518 N C -0.606 175.036 175.510 0.219 0.000 1.083 518 N CA 0.553 53.768 53.050 0.275 0.000 0.703 518 N CB -0.905 37.704 38.487 0.203 0.000 1.005 518 N HN 0.520 nan 8.380 nan 0.000 0.550 519 Q N -0.125 119.820 119.800 0.242 0.000 2.368 519 Q HA 0.369 4.698 4.340 -0.019 0.000 0.237 519 Q C -1.831 174.252 176.000 0.139 0.000 0.987 519 Q CA -1.100 54.811 55.803 0.180 0.000 0.896 519 Q CB 0.248 29.105 28.738 0.198 0.000 1.241 519 Q HN 0.128 nan 8.270 nan 0.000 0.485 520 P HA -0.012 nan 4.420 nan 0.000 0.267 520 P C -0.224 177.102 177.300 0.044 0.000 1.200 520 P CA 0.260 63.399 63.100 0.065 0.000 0.772 520 P CB 0.471 32.197 31.700 0.044 0.000 0.855 521 T N 0.039 114.611 114.554 0.030 0.000 2.902 521 T HA 0.328 4.667 4.350 -0.019 0.000 0.287 521 T C 0.266 174.936 174.700 -0.050 0.000 1.048 521 T CA -0.918 61.179 62.100 -0.004 0.000 0.941 521 T CB 0.036 68.912 68.868 0.013 0.000 1.432 521 T HN 0.176 nan 8.240 nan 0.000 0.586 522 L N 1.071 122.237 121.223 -0.094 0.000 2.628 522 L HA 0.119 4.448 4.340 -0.019 0.000 0.274 522 L C 0.820 177.651 176.870 -0.065 0.000 1.209 522 L CA 0.279 55.050 54.840 -0.115 0.000 0.930 522 L CB -0.501 41.463 42.059 -0.158 0.000 1.183 522 L HN 0.642 nan 8.230 nan 0.000 0.492 523 L N 4.945 126.133 121.223 -0.059 0.000 2.375 523 L HA 0.222 4.551 4.340 -0.019 0.000 0.215 523 L C 1.425 178.290 176.870 -0.008 0.000 1.108 523 L CA 0.226 55.052 54.840 -0.022 0.000 0.830 523 L CB -0.509 41.542 42.059 -0.013 0.000 0.959 523 L HN 0.837 nan 8.230 nan 0.000 0.457 524 A N 0.728 123.536 122.820 -0.020 0.000 2.547 524 A HA -0.110 4.199 4.320 -0.019 0.000 0.233 524 A C 0.298 177.886 177.584 0.007 0.000 1.067 524 A CA -0.046 51.991 52.037 0.001 0.000 0.763 524 A CB -0.065 18.934 19.000 -0.002 0.000 1.007 524 A HN 0.284 nan 8.150 nan 0.000 0.506 525 D N 2.127 122.538 120.400 0.020 0.000 2.488 525 D HA 0.019 4.648 4.640 -0.019 0.000 0.238 525 D C -1.156 175.152 176.300 0.012 0.000 1.138 525 D CA -0.860 53.151 54.000 0.019 0.000 0.873 525 D CB 0.861 41.677 40.800 0.026 0.000 1.183 525 D HN 0.285 nan 8.370 nan 0.000 0.458 526 P HA -0.092 nan 4.420 nan 0.000 0.223 526 P C 0.972 178.274 177.300 0.003 0.000 1.144 526 P CA 0.812 63.914 63.100 0.003 0.000 0.783 526 P CB 0.130 31.832 31.700 0.003 0.000 0.771 527 G N -0.177 108.628 108.800 0.009 0.000 3.088 527 G HA2 0.045 3.993 3.960 -0.019 0.000 0.217 527 G HA3 0.045 3.993 3.960 -0.019 0.000 0.217 527 G C 0.600 175.509 174.900 0.014 0.000 1.159 527 G CA 0.104 45.209 45.100 0.007 0.000 0.760 527 G HN 0.431 nan 8.290 nan 0.000 0.550 528 S N -0.523 115.192 115.700 0.025 0.000 2.600 528 S HA 0.298 4.756 4.470 -0.019 0.000 0.265 528 S C 1.567 176.183 174.600 0.028 0.000 1.325 528 S CA 0.446 58.676 58.200 0.049 0.000 1.002 528 S CB 1.688 64.928 63.200 0.066 0.000 0.921 528 S HN 0.056 nan 8.310 nan 0.000 0.554 529 S N 0.555 116.280 115.700 0.041 0.000 2.368 529 S HA -0.139 4.320 4.470 -0.019 0.000 0.225 529 S C 1.659 176.242 174.600 -0.028 0.000 1.030 529 S CA 1.194 59.354 58.200 -0.068 0.000 0.999 529 S CB -0.785 62.254 63.200 -0.270 0.000 0.844 529 S HN 0.706 nan 8.310 nan 0.000 0.459 530 I N 1.933 122.537 120.570 0.058 0.000 2.394 530 I HA 0.054 4.212 4.170 -0.019 0.000 0.251 530 I C 2.264 178.396 176.117 0.024 0.000 1.136 530 I CA 1.213 62.558 61.300 0.077 0.000 1.425 530 I CB -0.861 37.192 38.000 0.088 0.000 1.079 530 I HN 0.313 nan 8.210 nan 0.000 0.425 531 A N 0.323 123.145 122.820 0.002 0.000 1.969 531 A HA -0.160 4.149 4.320 -0.019 0.000 0.218 531 A C 2.436 180.007 177.584 -0.021 0.000 1.169 531 A CA 1.419 53.443 52.037 -0.022 0.000 0.635 531 A CB -0.513 18.480 19.000 -0.012 0.000 0.810 531 A HN 0.452 nan 8.150 nan 0.000 0.445 532 R N -0.882 119.605 120.500 -0.023 0.000 2.066 532 R HA 0.044 4.373 4.340 -0.019 0.000 0.224 532 R C 2.329 178.604 176.300 -0.042 0.000 1.122 532 R CA 1.093 57.167 56.100 -0.043 0.000 0.974 532 R CB -0.242 30.015 30.300 -0.072 0.000 0.871 532 R HN 0.435 nan 8.270 nan 0.000 0.435 533 R N 0.353 120.843 120.500 -0.016 0.000 2.148 533 R HA 0.043 4.372 4.340 -0.019 0.000 0.223 533 R C 1.028 177.443 176.300 0.191 0.000 1.088 533 R CA 1.139 57.253 56.100 0.024 0.000 0.985 533 R CB 0.163 30.488 30.300 0.041 0.000 0.880 533 R HN 0.078 nan 8.270 nan 0.000 0.451 534 A N 0.196 123.123 122.820 0.179 0.000 2.911 534 A HA 0.487 4.796 4.320 -0.019 0.000 0.304 534 A C 1.288 178.759 177.584 -0.189 0.000 1.144 534 A CA 0.013 52.119 52.037 0.115 0.000 0.988 534 A CB 0.223 19.184 19.000 -0.065 0.000 1.141 534 A HN 0.241 nan 8.150 nan 0.000 0.552 535 A N 0.447 123.245 122.820 -0.036 0.000 1.948 535 A HA -0.123 4.185 4.320 -0.019 0.000 0.220 535 A C 1.819 179.392 177.584 -0.017 0.000 1.177 535 A CA 1.955 53.976 52.037 -0.027 0.000 0.636 535 A CB -0.997 18.005 19.000 0.004 0.000 0.815 535 A HN 1.371 nan 8.150 nan 0.000 0.449 536 F N -0.226 119.622 119.950 -0.170 0.000 2.202 536 F HA 0.029 4.545 4.527 -0.019 0.000 0.301 536 F C 2.046 177.922 175.800 0.127 0.000 1.082 536 F CA 0.781 58.607 58.000 -0.289 0.000 1.313 536 F CB -0.970 37.743 39.000 -0.479 0.000 1.024 536 F HN 0.154 nan 8.300 nan 0.000 0.495 537 A N 0.479 122.602 122.820 -1.160 0.000 2.209 537 A HA -0.012 4.296 4.320 -0.019 0.000 0.212 537 A C 2.092 179.535 177.584 -0.235 0.000 1.158 537 A CA 1.318 52.893 52.037 -0.770 0.000 0.742 537 A CB -1.491 16.905 19.000 -1.006 0.000 0.790 537 A HN 0.581 nan 8.150 nan 0.000 0.472 538 T N -3.622 110.889 114.554 -0.072 0.000 3.081 538 T HA 0.198 4.537 4.350 -0.019 0.000 0.255 538 T C 0.628 175.354 174.700 0.043 0.000 1.113 538 T CA 0.202 62.301 62.100 -0.001 0.000 1.082 538 T CB 0.124 69.005 68.868 0.022 0.000 0.939 538 T HN 0.106 nan 8.240 nan 0.000 0.506 539 K N 1.006 121.488 120.400 0.136 0.000 2.426 539 K HA 0.386 4.695 4.320 -0.019 0.000 0.251 539 K C -0.510 176.160 176.600 0.117 0.000 0.941 539 K CA -0.462 55.826 56.287 0.001 0.000 0.808 539 K CB 2.192 34.451 32.500 -0.402 0.000 1.265 539 K HN -0.050 nan 8.250 nan 0.000 0.432 540 D N 0.364 120.790 120.400 0.043 0.000 2.194 540 D HA -0.015 4.613 4.640 -0.019 0.000 0.204 540 D C 0.007 176.370 176.300 0.104 0.000 0.964 540 D CA 0.790 54.864 54.000 0.123 0.000 0.846 540 D CB 0.304 41.212 40.800 0.180 0.000 0.962 540 D HN 0.119 nan 8.370 nan 0.000 0.490 541 L N -0.404 120.730 121.223 -0.148 0.000 2.482 541 L HA 0.467 4.796 4.340 -0.019 0.000 0.263 541 L C -2.017 174.752 176.870 -0.169 0.000 0.957 541 L CA -0.626 54.096 54.840 -0.197 0.000 0.836 541 L CB 1.540 43.054 42.059 -0.909 0.000 1.324 541 L HN -0.133 nan 8.230 nan 0.000 0.406 542 W N 4.016 125.305 121.300 -0.017 0.000 2.936 542 W HA 0.777 5.425 4.660 -0.019 0.000 0.338 542 W C -1.230 175.382 176.519 0.155 0.000 1.121 542 W CA -0.843 56.522 57.345 0.032 0.000 1.209 542 W CB 2.020 31.474 29.460 -0.011 0.000 1.420 542 W HN 0.172 nan 8.180 nan 0.000 0.516 543 V N 2.485 122.604 119.914 0.342 0.000 2.577 543 V HA 0.708 4.817 4.120 -0.019 0.000 0.303 543 V C -0.098 176.178 176.094 0.303 0.000 1.042 543 V CA -0.808 61.682 62.300 0.316 0.000 0.872 543 V CB 1.441 33.369 31.823 0.174 0.000 0.998 543 V HN 0.596 nan 8.190 nan 0.000 0.423 544 T N 1.593 116.375 114.554 0.379 0.000 2.930 544 T HA 0.767 5.106 4.350 -0.019 0.000 0.290 544 T C -0.460 174.369 174.700 0.215 0.000 1.052 544 T CA -0.961 61.308 62.100 0.281 0.000 1.017 544 T CB 2.150 71.210 68.868 0.319 0.000 1.137 544 T HN 0.521 nan 8.240 nan 0.000 0.511 545 R N 0.711 121.291 120.500 0.134 0.000 2.390 545 R HA 0.356 4.684 4.340 -0.019 0.000 0.291 545 R C -0.874 175.470 176.300 0.073 0.000 1.070 545 R CA -0.915 55.245 56.100 0.101 0.000 1.014 545 R CB -0.432 29.905 30.300 0.061 0.000 1.007 545 R HN 0.776 nan 8.270 nan 0.000 0.466 546 Y N 3.127 123.420 120.300 -0.011 0.000 2.712 546 Y HA 0.291 4.830 4.550 -0.018 0.000 0.333 546 Y C -0.762 175.084 175.900 -0.090 0.000 1.225 546 Y CA 0.934 58.997 58.100 -0.062 0.000 1.499 546 Y CB 0.451 38.834 38.460 -0.129 0.000 1.288 546 Y HN 0.745 nan 8.280 nan 0.000 0.575 547 A N 5.416 127.527 122.820 -1.182 0.000 2.517 547 A HA 0.289 4.598 4.320 -0.019 0.000 0.297 547 A C 0.199 177.156 177.584 -1.045 0.000 1.050 547 A CA -0.600 50.917 52.037 -0.865 0.000 0.694 547 A CB 0.888 19.605 19.000 -0.471 0.000 1.277 547 A HN 0.788 nan 8.150 nan 0.000 0.400 548 D N 1.202 121.222 120.400 -0.635 0.000 2.133 548 D HA -0.179 4.450 4.640 -0.019 0.000 0.195 548 D C 0.934 177.064 176.300 -0.284 0.000 0.997 548 D CA 2.203 56.006 54.000 -0.328 0.000 0.840 548 D CB 0.089 40.826 40.800 -0.105 0.000 0.947 548 D HN 0.781 nan 8.370 nan 0.000 0.452 549 D N 0.178 120.408 120.400 -0.282 0.000 2.328 549 D HA -0.055 4.574 4.640 -0.019 0.000 0.221 549 D C -0.102 176.011 176.300 -0.312 0.000 1.072 549 D CA 0.065 53.929 54.000 -0.226 0.000 0.850 549 D CB -0.490 40.225 40.800 -0.142 0.000 0.922 549 D HN 0.169 nan 8.370 nan 0.000 0.516 550 E N 0.772 120.692 120.200 -0.467 0.000 2.136 550 E HA 0.303 4.642 4.350 -0.019 0.000 0.246 550 E C 0.501 176.932 176.600 -0.282 0.000 1.017 550 E CA -0.281 55.732 56.400 -0.644 0.000 0.883 550 E CB 0.993 30.067 29.700 -1.043 0.000 1.199 550 E HN 0.164 nan 8.360 nan 0.000 0.447 551 R N 1.051 121.373 120.500 -0.297 0.000 2.123 551 R HA 0.112 4.441 4.340 -0.019 0.000 0.209 551 R C 0.015 176.000 176.300 -0.525 0.000 1.078 551 R CA 0.657 56.418 56.100 -0.564 0.000 1.028 551 R CB 0.361 29.994 30.300 -1.112 0.000 0.939 551 R HN 0.273 nan 8.270 nan 0.000 0.463 552 Y N 0.283 120.708 120.300 0.208 0.000 2.485 552 Y HA 0.306 4.845 4.550 -0.018 0.000 0.345 552 Y C -1.770 174.171 175.900 0.070 0.000 0.998 552 Y CA -3.205 54.989 58.100 0.157 0.000 1.059 552 Y CB 1.121 39.553 38.460 -0.048 0.000 1.234 552 Y HN -0.177 nan 8.280 nan 0.000 0.461 553 P HA -0.092 nan 4.420 nan 0.000 0.226 553 P C 0.639 177.703 177.300 -0.393 0.000 1.153 553 P CA 1.460 64.286 63.100 -0.456 0.000 0.777 553 P CB 0.146 31.477 31.700 -0.614 0.000 0.794 554 T N -4.759 109.667 114.554 -0.213 0.000 3.085 554 T HA 0.502 4.841 4.350 -0.019 0.000 0.264 554 T C 0.907 175.547 174.700 -0.101 0.000 1.019 554 T CA 0.090 62.106 62.100 -0.141 0.000 0.910 554 T CB -0.154 68.642 68.868 -0.120 0.000 1.059 554 T HN 0.329 nan 8.240 nan 0.000 0.542 555 G N 1.540 110.318 108.800 -0.035 0.000 2.796 555 G HA2 -0.179 3.770 3.960 -0.019 0.000 0.571 555 G HA3 -0.179 3.770 3.960 -0.019 0.000 0.571 555 G C -0.130 174.754 174.900 -0.025 0.000 1.370 555 G CA -0.145 44.960 45.100 0.008 0.000 0.856 555 G HN 0.179 nan 8.290 nan 0.000 0.538 556 D N -0.534 119.757 120.400 -0.182 0.000 2.144 556 D HA 0.043 4.672 4.640 -0.019 0.000 0.200 556 D C 0.930 176.656 176.300 -0.957 0.000 0.978 556 D CA 1.514 55.185 54.000 -0.548 0.000 0.833 556 D CB -0.050 40.200 40.800 -0.917 0.000 0.961 556 D HN 0.240 nan 8.370 nan 0.000 0.470 557 F N 0.096 119.874 119.950 -0.286 0.000 2.382 557 F HA 0.234 4.750 4.527 -0.018 0.000 0.361 557 F C 1.051 176.667 175.800 -0.306 0.000 1.109 557 F CA -0.684 57.104 58.000 -0.353 0.000 1.031 557 F CB 1.633 40.359 39.000 -0.456 0.000 1.234 557 F HN -0.366 nan 8.300 nan 0.000 0.445 558 V N 0.409 120.230 119.914 -0.154 0.000 2.685 558 V HA -0.055 4.054 4.120 -0.019 0.000 0.244 558 V C 1.012 176.983 176.094 -0.205 0.000 1.054 558 V CA 0.274 62.427 62.300 -0.246 0.000 1.076 558 V CB -0.434 31.107 31.823 -0.469 0.000 0.725 558 V HN 0.672 nan 8.190 nan 0.000 0.467 559 N N 1.686 120.308 118.700 -0.131 0.000 2.411 559 N HA -0.058 4.671 4.740 -0.019 0.000 0.265 559 N C 0.493 175.974 175.510 -0.048 0.000 1.266 559 N CA 0.743 53.740 53.050 -0.088 0.000 0.889 559 N CB -0.212 38.231 38.487 -0.073 0.000 1.069 559 N HN 0.428 nan 8.380 nan 0.000 0.476 560 Q N 0.319 120.093 119.800 -0.043 0.000 2.457 560 Q HA -0.310 4.019 4.340 -0.019 0.000 0.283 560 Q C -0.837 175.160 176.000 -0.005 0.000 1.234 560 Q CA 0.920 56.703 55.803 -0.034 0.000 0.877 560 Q CB -1.600 27.119 28.738 -0.032 0.000 1.250 560 Q HN 0.705 nan 8.270 nan 0.000 0.481 561 H N -0.254 118.731 119.070 -0.142 0.000 2.469 561 H HA 0.434 4.979 4.556 -0.019 0.000 0.342 561 H C 0.293 175.533 175.328 -0.146 0.000 1.115 561 H CA 0.052 56.020 56.048 -0.132 0.000 1.204 561 H CB 1.163 30.853 29.762 -0.119 0.000 1.492 561 H HN 0.289 nan 8.280 nan 0.000 0.499 562 S N 2.969 118.298 115.700 -0.618 0.000 2.641 562 S HA 0.333 4.792 4.470 -0.019 0.000 0.261 562 S C 0.885 175.080 174.600 -0.674 0.000 1.257 562 S CA -0.311 57.579 58.200 -0.516 0.000 0.983 562 S CB 0.912 63.903 63.200 -0.349 0.000 0.990 562 S HN 0.728 nan 8.310 nan 0.000 0.572 563 G N -1.584 106.994 108.800 -0.370 0.000 2.651 563 G HA2 0.482 4.431 3.960 -0.019 0.000 0.260 563 G HA3 0.482 4.431 3.960 -0.019 0.000 0.260 563 G C 0.844 175.583 174.900 -0.267 0.000 1.216 563 G CA -0.306 44.631 45.100 -0.272 0.000 0.913 563 G HN 1.905 nan 8.290 nan 0.000 0.535 564 G N -1.842 106.860 108.800 -0.164 0.000 2.624 564 G HA2 0.356 4.305 3.960 -0.019 0.000 0.190 564 G HA3 0.356 4.305 3.960 -0.019 0.000 0.190 564 G C 0.367 175.235 174.900 -0.054 0.000 1.008 564 G CA 0.722 45.766 45.100 -0.093 0.000 0.731 564 G HN 1.761 nan 8.290 nan 0.000 0.478 565 A N -0.414 122.383 122.820 -0.038 0.000 2.468 565 A HA 1.086 5.394 4.320 -0.019 0.000 0.270 565 A C 1.324 178.713 177.584 -0.326 0.000 1.217 565 A CA 0.916 52.900 52.037 -0.088 0.000 0.908 565 A CB 0.690 19.733 19.000 0.071 0.000 1.423 565 A HN 2.279 nan 8.150 nan 0.000 0.459 566 G N -1.771 106.685 108.800 -0.574 0.000 2.642 566 G HA2 -0.122 3.827 3.960 -0.019 0.000 0.231 566 G HA3 -0.122 3.827 3.960 -0.019 0.000 0.231 566 G C 0.726 174.660 174.900 -1.609 0.000 1.338 566 G CA 0.050 44.569 45.100 -0.968 0.000 0.883 566 G HN 1.245 nan 8.290 nan 0.000 0.570 567 L N 1.024 121.493 121.223 -1.256 0.000 2.034 567 L HA -0.146 4.182 4.340 -0.019 0.000 0.217 567 L C 0.370 176.863 176.870 -0.628 0.000 1.077 567 L CA 2.844 57.032 54.840 -1.088 0.000 0.769 567 L CB -1.307 39.891 42.059 -1.436 0.000 0.890 567 L HN 0.466 nan 8.230 nan 0.000 0.435 568 P HA -0.176 nan 4.420 nan 0.000 0.216 568 P C 1.798 179.023 177.300 -0.126 0.000 1.150 568 P CA 1.924 64.956 63.100 -0.113 0.000 0.837 568 P CB -0.039 31.616 31.700 -0.076 0.000 0.786 569 S N -2.484 113.058 115.700 -0.262 0.000 2.414 569 S HA -0.156 4.303 4.470 -0.019 0.000 0.227 569 S C 1.856 176.446 174.600 -0.016 0.000 1.022 569 S CA 0.760 58.875 58.200 -0.142 0.000 0.958 569 S CB -1.563 61.544 63.200 -0.154 0.000 0.797 569 S HN 0.007 nan 8.310 nan 0.000 0.493 570 Y N 1.729 121.959 120.300 -0.117 0.000 2.114 570 Y HA 0.111 4.650 4.550 -0.019 0.000 0.284 570 Y C 2.291 178.160 175.900 -0.051 0.000 1.143 570 Y CA -0.362 57.670 58.100 -0.112 0.000 1.135 570 Y CB -1.325 37.013 38.460 -0.203 0.000 0.980 570 Y HN 0.213 nan 8.280 nan 0.000 0.499 571 I N 0.431 121.080 120.570 0.130 0.000 2.423 571 I HA -0.249 3.909 4.170 -0.019 0.000 0.254 571 I C 2.451 178.619 176.117 0.086 0.000 1.151 571 I CA 1.271 62.646 61.300 0.125 0.000 1.421 571 I CB -1.082 37.026 38.000 0.181 0.000 1.079 571 I HN 0.141 nan 8.210 nan 0.000 0.431 572 A N -0.317 122.543 122.820 0.066 0.000 2.024 572 A HA -0.252 4.056 4.320 -0.019 0.000 0.220 572 A C 2.178 179.788 177.584 0.043 0.000 1.164 572 A CA 1.381 53.445 52.037 0.045 0.000 0.643 572 A CB -0.628 18.390 19.000 0.029 0.000 0.806 572 A HN 0.564 nan 8.150 nan 0.000 0.451 573 Q N -1.134 118.697 119.800 0.051 0.000 2.437 573 Q HA -0.088 4.241 4.340 -0.019 0.000 0.210 573 Q C 0.110 176.133 176.000 0.038 0.000 0.972 573 Q CA 0.450 56.276 55.803 0.040 0.000 0.903 573 Q CB -0.164 28.596 28.738 0.037 0.000 0.967 573 Q HN 0.614 nan 8.270 nan 0.000 0.486 574 D N 1.093 121.521 120.400 0.046 0.000 2.692 574 D HA -0.185 4.444 4.640 -0.019 0.000 0.233 574 D C -0.893 175.432 176.300 0.041 0.000 1.172 574 D CA 0.612 54.638 54.000 0.044 0.000 0.636 574 D CB -0.498 40.322 40.800 0.034 0.000 1.028 574 D HN 0.229 nan 8.370 nan 0.000 0.419 575 R N 0.459 120.986 120.500 0.046 0.000 2.615 575 R HA 0.306 4.635 4.340 -0.019 0.000 0.270 575 R C 0.254 176.584 176.300 0.049 0.000 1.081 575 R CA -0.596 55.529 56.100 0.042 0.000 1.154 575 R CB 0.413 30.736 30.300 0.039 0.000 1.063 575 R HN 0.172 nan 8.270 nan 0.000 0.519 576 D N 2.013 122.440 120.400 0.045 0.000 2.383 576 D HA 0.022 4.651 4.640 -0.019 0.000 0.252 576 D C 0.461 176.797 176.300 0.059 0.000 1.166 576 D CA 0.005 54.034 54.000 0.048 0.000 0.879 576 D CB 0.557 41.381 40.800 0.041 0.000 1.164 576 D HN 0.555 nan 8.370 nan 0.000 0.462 577 I N -0.170 120.441 120.570 0.067 0.000 4.102 577 I HA 0.341 4.500 4.170 -0.019 0.000 0.325 577 I C 0.071 176.235 176.117 0.078 0.000 1.471 577 I CA -0.526 60.822 61.300 0.081 0.000 1.133 577 I CB 0.498 38.556 38.000 0.095 0.000 1.184 577 I HN 0.067 nan 8.210 nan 0.000 0.451 578 D N 2.859 123.299 120.400 0.066 0.000 2.468 578 D HA 0.388 5.017 4.640 -0.019 0.000 0.218 578 D C 1.068 177.403 176.300 0.059 0.000 1.155 578 D CA 0.455 54.492 54.000 0.062 0.000 0.924 578 D CB 0.505 41.336 40.800 0.052 0.000 1.029 578 D HN 0.548 nan 8.370 nan 0.000 0.515 579 G N 3.160 112.000 108.800 0.067 0.000 2.303 579 G HA2 -0.177 3.772 3.960 -0.019 0.000 0.260 579 G HA3 -0.177 3.772 3.960 -0.019 0.000 0.260 579 G C -0.089 174.853 174.900 0.070 0.000 1.106 579 G CA -0.309 44.830 45.100 0.065 0.000 0.900 579 G HN 0.476 nan 8.290 nan 0.000 0.495 580 Q N -0.769 119.080 119.800 0.082 0.000 2.683 580 Q HA 0.396 4.725 4.340 -0.019 0.000 0.302 580 Q C -1.027 175.035 176.000 0.104 0.000 1.042 580 Q CA -0.909 54.944 55.803 0.082 0.000 0.773 580 Q CB 0.966 29.747 28.738 0.071 0.000 1.508 580 Q HN 0.224 nan 8.270 nan 0.000 0.459 581 D N 1.671 122.121 120.400 0.084 0.000 2.344 581 D HA 0.334 4.963 4.640 -0.019 0.000 0.253 581 D C -0.643 175.725 176.300 0.114 0.000 1.255 581 D CA -0.086 53.954 54.000 0.067 0.000 0.894 581 D CB -0.260 40.473 40.800 -0.112 0.000 1.067 581 D HN 0.351 nan 8.370 nan 0.000 0.492 582 I N 0.901 121.555 120.570 0.140 0.000 2.957 582 I HA 0.633 4.792 4.170 -0.019 0.000 0.310 582 I C -0.942 175.255 176.117 0.134 0.000 1.063 582 I CA -1.075 60.313 61.300 0.147 0.000 1.033 582 I CB 1.941 40.022 38.000 0.135 0.000 1.230 582 I HN -0.029 nan 8.210 nan 0.000 0.447 583 V N 3.400 123.399 119.914 0.142 0.000 2.588 583 V HA 0.552 4.661 4.120 -0.019 0.000 0.304 583 V C -0.403 175.717 176.094 0.043 0.000 1.042 583 V CA -0.731 61.582 62.300 0.021 0.000 0.877 583 V CB 1.689 33.489 31.823 -0.039 0.000 0.996 583 V HN 0.644 nan 8.190 nan 0.000 0.425 584 V N 3.675 123.535 119.914 -0.090 0.000 2.427 584 V HA 0.461 4.570 4.120 -0.019 0.000 0.286 584 V C -1.095 174.938 176.094 -0.102 0.000 1.034 584 V CA -0.459 61.852 62.300 0.018 0.000 0.893 584 V CB 1.566 33.382 31.823 -0.011 0.000 0.982 584 V HN 0.912 nan 8.190 nan 0.000 0.452 585 W N 4.029 125.372 121.300 0.072 0.000 2.362 585 W HA 0.517 5.166 4.660 -0.019 0.000 0.316 585 W C -0.178 176.438 176.519 0.161 0.000 1.024 585 W CA -0.665 56.727 57.345 0.079 0.000 1.270 585 W CB 0.517 29.997 29.460 0.034 0.000 1.273 585 W HN 0.602 nan 8.180 nan 0.000 0.424 586 H N 1.629 120.781 119.070 0.136 0.000 2.504 586 H HA 0.529 5.074 4.556 -0.018 0.000 0.322 586 H C -0.380 175.125 175.328 0.296 0.000 1.055 586 H CA -0.274 55.823 56.048 0.080 0.000 1.231 586 H CB 1.028 30.638 29.762 -0.253 0.000 1.417 586 H HN 0.181 nan 8.280 nan 0.000 0.472 587 T N 7.202 121.773 114.554 0.027 0.000 2.806 587 T HA 0.437 4.776 4.350 -0.019 0.000 0.290 587 T C -1.015 173.591 174.700 -0.157 0.000 0.966 587 T CA -0.247 61.878 62.100 0.042 0.000 1.060 587 T CB -0.245 68.740 68.868 0.195 0.000 0.927 587 T HN 0.499 nan 8.240 nan 0.000 0.485 588 F N -0.150 119.687 119.950 -0.189 0.000 2.650 588 F HA 0.838 5.354 4.527 -0.018 0.000 0.310 588 F C -0.276 175.611 175.800 0.145 0.000 1.112 588 F CA -1.105 56.845 58.000 -0.084 0.000 0.986 588 F CB 1.027 39.941 39.000 -0.145 0.000 1.285 588 F HN 0.819 nan 8.300 nan 0.000 0.440 589 G N 1.679 110.584 108.800 0.174 0.000 2.548 589 G HA2 0.593 4.542 3.960 -0.019 0.000 0.301 589 G HA3 0.593 4.542 3.960 -0.019 0.000 0.301 589 G C -2.512 172.488 174.900 0.166 0.000 1.349 589 G CA -1.116 44.084 45.100 0.165 0.000 0.792 589 G HN 0.831 nan 8.290 nan 0.000 0.481 590 L N 0.256 121.570 121.223 0.152 0.000 2.334 590 L HA 0.625 4.954 4.340 -0.019 0.000 0.276 590 L C -0.171 176.691 176.870 -0.015 0.000 1.014 590 L CA -0.733 54.160 54.840 0.089 0.000 0.815 590 L CB 2.495 44.618 42.059 0.106 0.000 1.268 590 L HN 0.443 nan 8.230 nan 0.000 0.428 591 T N 0.579 115.075 114.554 -0.098 0.000 2.772 591 T HA 0.247 4.586 4.350 -0.019 0.000 0.288 591 T C -0.696 173.767 174.700 -0.395 0.000 0.994 591 T CA -0.266 61.658 62.100 -0.293 0.000 0.951 591 T CB 0.156 68.862 68.868 -0.270 0.000 0.933 591 T HN 0.419 nan 8.240 nan 0.000 0.447 592 H N 3.069 121.721 119.070 -0.696 0.000 2.541 592 H HA 0.400 4.945 4.556 -0.018 0.000 0.316 592 H C -1.136 173.720 175.328 -0.786 0.000 1.043 592 H CA -1.051 54.614 56.048 -0.638 0.000 1.232 592 H CB 0.379 29.777 29.762 -0.608 0.000 1.406 592 H HN 0.429 nan 8.280 nan 0.000 0.469 593 F N 6.570 126.440 119.950 -0.132 0.000 2.307 593 F HA 0.278 4.794 4.527 -0.019 0.000 0.369 593 F C -2.064 173.687 175.800 -0.082 0.000 1.076 593 F CA -2.615 55.164 58.000 -0.369 0.000 1.149 593 F CB 0.868 39.556 39.000 -0.521 0.000 1.410 593 F HN 0.515 nan 8.300 nan 0.000 0.481 594 P HA 0.041 nan 4.420 nan 0.000 0.263 594 P C -0.334 177.063 177.300 0.161 0.000 1.175 594 P CA 0.293 63.382 63.100 -0.019 0.000 0.761 594 P CB 0.589 32.267 31.700 -0.038 0.000 0.794 595 R N 1.703 122.320 120.500 0.195 0.000 2.758 595 R HA 0.348 4.677 4.340 -0.019 0.000 0.265 595 R C 1.171 177.557 176.300 0.144 0.000 1.016 595 R CA -1.011 55.180 56.100 0.151 0.000 1.040 595 R CB 0.505 30.891 30.300 0.144 0.000 1.152 595 R HN 0.100 nan 8.270 nan 0.000 0.503 596 V N 1.272 121.249 119.914 0.105 0.000 2.469 596 V HA -0.222 3.886 4.120 -0.019 0.000 0.251 596 V C 1.444 177.637 176.094 0.165 0.000 1.064 596 V CA 1.843 64.214 62.300 0.117 0.000 1.066 596 V CB -0.557 31.309 31.823 0.072 0.000 0.667 596 V HN 0.704 nan 8.190 nan 0.000 0.461 597 E N 0.089 120.368 120.200 0.130 0.000 2.333 597 E HA -0.162 4.177 4.350 -0.019 0.000 0.198 597 E C 1.618 178.299 176.600 0.134 0.000 1.007 597 E CA 0.867 57.336 56.400 0.114 0.000 0.845 597 E CB -0.250 29.500 29.700 0.083 0.000 0.766 597 E HN 0.588 nan 8.360 nan 0.000 0.507 598 D N -1.005 119.510 120.400 0.193 0.000 2.355 598 D HA -0.066 4.563 4.640 -0.019 0.000 0.218 598 D C -0.203 176.252 176.300 0.259 0.000 1.004 598 D CA 0.270 54.400 54.000 0.217 0.000 0.880 598 D CB 0.103 41.083 40.800 0.300 0.000 0.911 598 D HN 0.223 nan 8.370 nan 0.000 0.528 599 W N 2.297 123.628 121.300 0.052 0.000 2.606 599 W HA 0.214 4.862 4.660 -0.019 0.000 0.332 599 W C -1.893 174.657 176.519 0.051 0.000 1.052 599 W CA -1.967 55.407 57.345 0.048 0.000 1.223 599 W CB 2.070 31.556 29.460 0.044 0.000 1.383 599 W HN -0.197 nan 8.180 nan 0.000 0.524 600 P HA 0.103 nan 4.420 nan 0.000 0.240 600 P C -0.021 176.851 177.300 -0.713 0.000 1.190 600 P CA 0.794 62.988 63.100 -1.510 0.000 0.781 600 P CB 1.436 32.469 31.700 -1.111 0.000 0.931 601 I N 0.596 120.928 120.570 -0.396 0.000 2.569 601 I HA 0.295 4.454 4.170 -0.019 0.000 0.290 601 I C -0.402 175.594 176.117 -0.202 0.000 1.088 601 I CA -1.837 59.226 61.300 -0.395 0.000 1.047 601 I CB 2.311 39.836 38.000 -0.791 0.000 1.237 601 I HN -0.248 nan 8.210 nan 0.000 0.421 602 M N 8.078 127.609 119.600 -0.115 0.000 2.235 602 M HA 0.622 5.091 4.480 -0.019 0.000 0.351 602 M C -2.626 173.644 176.300 -0.049 0.000 1.178 602 M CA -1.228 54.058 55.300 -0.024 0.000 1.143 602 M CB 0.579 33.220 32.600 0.068 0.000 1.530 602 M HN 0.200 nan 8.290 nan 0.000 0.461 603 P HA 0.166 nan 4.420 nan 0.000 0.275 603 P C -0.689 176.596 177.300 -0.025 0.000 1.228 603 P CA -0.502 62.581 63.100 -0.028 0.000 0.786 603 P CB 0.780 32.474 31.700 -0.011 0.000 0.927 604 V N 3.015 122.917 119.914 -0.020 0.000 2.694 604 V HA 0.005 4.114 4.120 -0.019 0.000 0.306 604 V C 0.575 176.645 176.094 -0.039 0.000 1.054 604 V CA 1.034 63.325 62.300 -0.016 0.000 1.161 604 V CB 0.188 32.017 31.823 0.010 0.000 0.916 604 V HN 0.598 nan 8.190 nan 0.000 0.490 605 D N 2.036 122.399 120.400 -0.062 0.000 2.433 605 D HA 0.697 5.326 4.640 -0.019 0.000 0.236 605 D C -0.314 175.943 176.300 -0.072 0.000 1.026 605 D CA -0.195 53.761 54.000 -0.073 0.000 0.884 605 D CB 2.351 43.080 40.800 -0.119 0.000 1.384 605 D HN 0.737 nan 8.370 nan 0.000 0.477 606 T N -1.419 113.102 114.554 -0.054 0.000 2.901 606 T HA 0.779 5.118 4.350 -0.019 0.000 0.293 606 T C -0.920 173.784 174.700 0.006 0.000 1.084 606 T CA -0.818 61.244 62.100 -0.064 0.000 1.008 606 T CB 1.537 70.357 68.868 -0.081 0.000 1.170 606 T HN 0.268 nan 8.240 nan 0.000 0.509 607 V N -0.325 119.578 119.914 -0.020 0.000 3.167 607 V HA 0.846 4.955 4.120 -0.019 0.000 0.293 607 V C -0.218 175.831 176.094 -0.075 0.000 1.379 607 V CA 0.563 62.925 62.300 0.103 0.000 1.019 607 V CB 1.676 33.610 31.823 0.185 0.000 1.115 607 V HN 1.701 nan 8.190 nan 0.000 0.442 608 G N 2.940 111.539 108.800 -0.336 0.000 2.435 608 G HA2 0.705 4.653 3.960 -0.019 0.000 0.228 608 G HA3 0.705 4.653 3.960 -0.019 0.000 0.228 608 G C -1.430 172.889 174.900 -0.969 0.000 1.198 608 G CA 0.261 44.967 45.100 -0.657 0.000 0.948 608 G HN 1.953 nan 8.290 nan 0.000 0.487 609 F N -0.978 118.583 119.950 -0.649 0.000 2.858 609 F HA 0.858 5.374 4.527 -0.019 0.000 0.319 609 F C -1.096 174.668 175.800 -0.060 0.000 1.166 609 F CA -0.898 56.904 58.000 -0.330 0.000 0.899 609 F CB 1.440 40.268 39.000 -0.286 0.000 1.332 609 F HN 0.850 nan 8.300 nan 0.000 0.461 610 K N 0.793 121.359 120.400 0.277 0.000 2.555 610 K HA 0.827 5.136 4.320 -0.019 0.000 0.279 610 K C -2.503 174.337 176.600 0.400 0.000 0.986 610 K CA -1.045 55.388 56.287 0.243 0.000 0.880 610 K CB 2.558 35.154 32.500 0.161 0.000 1.474 610 K HN 0.718 nan 8.250 nan 0.000 0.433 611 L N 1.436 122.892 121.223 0.389 0.000 2.381 611 L HA 0.561 4.890 4.340 -0.019 0.000 0.274 611 L C -0.560 176.579 176.870 0.448 0.000 0.988 611 L CA -0.550 54.546 54.840 0.426 0.000 0.824 611 L CB 2.031 44.358 42.059 0.447 0.000 1.263 611 L HN 0.560 nan 8.230 nan 0.000 0.410 612 R N 3.238 123.924 120.500 0.311 0.000 2.711 612 R HA 0.555 4.884 4.340 -0.019 0.000 0.284 612 R C -2.561 173.513 176.300 -0.377 0.000 0.968 612 R CA -1.909 54.246 56.100 0.092 0.000 0.924 612 R CB 1.857 32.236 30.300 0.132 0.000 1.162 612 R HN 0.299 nan 8.270 nan 0.000 0.465 613 P HA -0.037 nan 4.420 nan 0.000 0.266 613 P C -0.686 176.397 177.300 -0.363 0.000 1.195 613 P CA 0.211 62.677 63.100 -1.057 0.000 0.768 613 P CB 0.741 32.164 31.700 -0.461 0.000 0.838 614 E N 2.064 122.114 120.200 -0.250 0.000 2.675 614 E HA 0.436 4.775 4.350 -0.019 0.000 0.236 614 E C 0.717 177.318 176.600 0.001 0.000 1.059 614 E CA -0.374 55.989 56.400 -0.062 0.000 0.775 614 E CB -0.580 29.102 29.700 -0.030 0.000 1.356 614 E HN 0.678 nan 8.360 nan 0.000 0.403 615 G N 3.255 112.068 108.800 0.021 0.000 2.153 615 G HA2 -0.369 3.580 3.960 -0.019 0.000 0.252 615 G HA3 -0.369 3.580 3.960 -0.019 0.000 0.252 615 G C 0.566 175.474 174.900 0.013 0.000 0.994 615 G CA 0.377 45.492 45.100 0.024 0.000 0.698 615 G HN 0.535 nan 8.290 nan 0.000 0.521 616 F N 0.184 120.021 119.950 -0.188 0.000 2.163 616 F HA 0.438 4.954 4.527 -0.018 0.000 0.297 616 F C 1.317 176.840 175.800 -0.462 0.000 1.094 616 F CA 0.770 58.559 58.000 -0.353 0.000 1.290 616 F CB 0.015 38.692 39.000 -0.538 0.000 1.017 616 F HN 0.122 nan 8.300 nan 0.000 0.483 617 F N 0.303 120.278 119.950 0.041 0.000 2.408 617 F HA 0.230 4.745 4.527 -0.020 0.000 0.325 617 F C 1.323 177.088 175.800 -0.058 0.000 1.082 617 F CA -0.830 57.142 58.000 -0.048 0.000 1.032 617 F CB 0.365 39.345 39.000 -0.032 0.000 1.259 617 F HN -0.279 nan 8.300 nan 0.000 0.503 618 D N 0.255 120.741 120.400 0.143 0.000 2.349 618 D HA 0.064 4.693 4.640 -0.019 0.000 0.224 618 D C 0.340 176.674 176.300 0.058 0.000 1.029 618 D CA 0.583 54.618 54.000 0.059 0.000 0.879 618 D CB 0.201 41.018 40.800 0.029 0.000 0.906 618 D HN 0.531 nan 8.370 nan 0.000 0.528 619 R N -2.313 118.238 120.500 0.084 0.000 0.000 619 R HA 0.200 4.529 4.340 -0.019 0.000 0.000 619 R C -0.771 175.534 176.300 0.008 0.000 0.000 619 R CA -0.762 55.359 56.100 0.034 0.000 0.000 619 R CB 0.306 30.612 30.300 0.010 0.000 0.000 619 R HN -0.169 nan 8.270 nan 0.000 0.000 620 S N 0.942 116.624 115.700 -0.031 0.000 2.563 620 S HA 0.110 4.569 4.470 -0.019 0.000 0.294 620 S C -1.297 173.204 174.600 -0.165 0.000 1.279 620 S CA -0.754 57.396 58.200 -0.083 0.000 1.069 620 S CB 0.488 63.657 63.200 -0.050 0.000 0.828 620 S HN 0.519 nan 8.310 nan 0.000 0.497 621 P HA 0.118 nan 4.420 nan 0.000 0.255 621 P C 0.481 177.665 177.300 -0.192 0.000 1.248 621 P CA 0.212 63.029 63.100 -0.473 0.000 0.807 621 P CB -0.141 30.779 31.700 -1.300 0.000 1.150 622 V N -3.850 116.003 119.914 -0.101 0.000 3.006 622 V HA 0.257 4.366 4.120 -0.019 0.000 0.357 622 V C 1.466 177.581 176.094 0.035 0.000 1.377 622 V CA -0.114 62.180 62.300 -0.010 0.000 1.198 622 V CB -0.763 31.080 31.823 0.033 0.000 1.216 622 V HN -0.135 nan 8.190 nan 0.000 0.520 623 L N 1.161 122.396 121.223 0.019 0.000 2.395 623 L HA 0.050 4.379 4.340 -0.019 0.000 0.218 623 L C 2.021 178.931 176.870 0.067 0.000 1.130 623 L CA 1.380 56.253 54.840 0.056 0.000 0.826 623 L CB -0.202 41.868 42.059 0.018 0.000 0.941 623 L HN 0.582 nan 8.230 nan 0.000 0.451 624 D N -0.638 119.782 120.400 0.034 0.000 2.325 624 D HA 0.005 4.633 4.640 -0.019 0.000 0.225 624 D C 0.508 176.817 176.300 0.016 0.000 1.096 624 D CA 0.002 54.016 54.000 0.024 0.000 0.844 624 D CB -0.123 40.679 40.800 0.004 0.000 0.925 624 D HN -0.017 nan 8.370 nan 0.000 0.513 625 V N 3.065 122.996 119.914 0.028 0.000 2.530 625 V HA 0.227 4.336 4.120 -0.019 0.000 0.282 625 V C -1.636 174.460 176.094 0.003 0.000 1.048 625 V CA -1.165 61.141 62.300 0.010 0.000 0.997 625 V CB 1.176 33.012 31.823 0.021 0.000 0.987 625 V HN 0.167 nan 8.190 nan 0.000 0.477 626 P HA 0.234 nan 4.420 nan 0.000 0.276 626 P C 0.323 177.592 177.300 -0.053 0.000 1.252 626 P CA -0.364 62.723 63.100 -0.022 0.000 0.802 626 P CB 1.413 33.104 31.700 -0.015 0.000 1.035 627 A N 1.624 124.404 122.820 -0.067 0.000 2.014 627 A HA -0.058 4.250 4.320 -0.019 0.000 0.218 627 A C 1.093 178.640 177.584 -0.060 0.000 1.163 627 A CA 1.238 53.216 52.037 -0.098 0.000 0.652 627 A CB -0.776 18.168 19.000 -0.093 0.000 0.808 627 A HN 0.808 nan 8.150 nan 0.000 0.449 628 N N 0.000 118.679 118.700 -0.035 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.019 0.000 0.220 628 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 628 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667