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 3kii_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGXXAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.582 177.584 -0.004 0.000 1.274 9 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 9 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 10 S N 3.962 119.667 115.700 0.009 0.000 2.510 10 S HA 0.443 4.892 4.470 -0.035 0.000 0.279 10 S C -0.754 173.839 174.600 -0.011 0.000 1.284 10 S CA -0.610 57.609 58.200 0.030 0.000 1.059 10 S CB 0.475 63.726 63.200 0.084 0.000 0.901 10 S HN 0.509 nan 8.310 nan 0.000 0.491 11 P HA -0.008 nan 4.420 nan 0.000 0.228 11 P C 0.322 177.323 177.300 -0.499 0.000 1.151 11 P CA 0.920 63.851 63.100 -0.282 0.000 0.770 11 P CB -0.114 31.361 31.700 -0.375 0.000 0.786 12 F N 0.372 120.249 119.950 -0.121 0.000 2.693 12 F HA 0.166 4.672 4.527 -0.036 0.000 0.303 12 F C 1.553 177.288 175.800 -0.108 0.000 1.097 12 F CA -0.738 57.143 58.000 -0.198 0.000 1.330 12 F CB -0.391 38.463 39.000 -0.244 0.000 1.067 12 F HN -0.153 nan 8.300 nan 0.000 0.565 13 R N 0.884 121.415 120.500 0.051 0.000 2.756 13 R HA 0.155 4.474 4.340 -0.035 0.000 0.264 13 R C -0.172 176.154 176.300 0.043 0.000 1.026 13 R CA -0.366 55.770 56.100 0.060 0.000 1.121 13 R CB 0.346 30.671 30.300 0.041 0.000 0.999 13 R HN 0.176 nan 8.270 nan 0.000 0.449 14 L N 1.647 122.910 121.223 0.066 0.000 2.467 14 L HA 0.140 4.459 4.340 -0.035 0.000 0.270 14 L C 0.781 177.695 176.870 0.074 0.000 1.205 14 L CA -0.182 54.700 54.840 0.071 0.000 0.828 14 L CB 0.513 42.613 42.059 0.068 0.000 1.101 14 L HN 0.866 nan 8.230 nan 0.000 0.479 15 A N 2.351 125.233 122.820 0.103 0.000 2.546 15 A HA 0.297 4.596 4.320 -0.035 0.000 0.243 15 A C 0.414 178.067 177.584 0.115 0.000 1.063 15 A CA -0.084 52.064 52.037 0.186 0.000 0.757 15 A CB -0.020 19.163 19.000 0.305 0.000 0.991 15 A HN 0.753 nan 8.150 nan 0.000 0.503 16 S N 1.804 117.563 115.700 0.098 0.000 2.687 16 S HA 0.616 5.065 4.470 -0.035 0.000 0.283 16 S C 1.253 175.859 174.600 0.010 0.000 1.170 16 S CA -0.213 58.012 58.200 0.041 0.000 1.008 16 S CB 1.490 64.709 63.200 0.031 0.000 1.026 16 S HN 1.608 nan 8.310 nan 0.000 0.541 17 A N 2.043 124.860 122.820 -0.005 0.000 1.873 17 A HA 0.057 4.356 4.320 -0.035 0.000 0.218 17 A C 2.217 179.775 177.584 -0.043 0.000 1.193 17 A CA 2.070 54.093 52.037 -0.023 0.000 0.629 17 A CB -1.959 17.031 19.000 -0.017 0.000 0.826 17 A HN 1.257 nan 8.150 nan 0.000 0.447 18 G N -0.768 108.011 108.800 -0.035 0.000 2.469 18 G HA2 -0.259 3.680 3.960 -0.035 0.000 0.219 18 G HA3 -0.259 3.680 3.960 -0.035 0.000 0.219 18 G C 1.435 176.285 174.900 -0.084 0.000 1.150 18 G CA 1.102 46.174 45.100 -0.047 0.000 0.763 18 G HN 0.680 nan 8.290 nan 0.000 0.561 19 E N -0.178 119.968 120.200 -0.090 0.000 2.077 19 E HA -0.076 4.252 4.350 -0.035 0.000 0.193 19 E C 2.518 178.881 176.600 -0.395 0.000 0.989 19 E CA 0.679 56.966 56.400 -0.189 0.000 0.800 19 E CB -0.129 29.528 29.700 -0.072 0.000 0.746 19 E HN 0.518 nan 8.360 nan 0.000 0.452 20 I N 0.531 120.914 120.570 -0.311 0.000 2.286 20 I HA -0.226 3.923 4.170 -0.035 0.000 0.245 20 I C 2.403 178.392 176.117 -0.214 0.000 1.104 20 I CA 0.613 61.721 61.300 -0.320 0.000 1.397 20 I CB -0.142 37.755 38.000 -0.171 0.000 1.072 20 I HN -0.017 nan 8.210 nan 0.000 0.417 21 S N 0.359 115.976 115.700 -0.138 0.000 2.387 21 S HA -0.199 4.249 4.470 -0.035 0.000 0.230 21 S C 1.912 176.450 174.600 -0.104 0.000 1.035 21 S CA 1.335 59.479 58.200 -0.093 0.000 1.014 21 S CB -0.234 62.927 63.200 -0.065 0.000 0.836 21 S HN 0.412 nan 8.310 nan 0.000 0.466 22 E N 0.658 120.776 120.200 -0.137 0.000 2.107 22 E HA -0.063 4.266 4.350 -0.035 0.000 0.191 22 E C 2.456 178.972 176.600 -0.141 0.000 0.982 22 E CA 1.119 57.446 56.400 -0.122 0.000 0.809 22 E CB -0.668 28.962 29.700 -0.116 0.000 0.756 22 E HN 0.560 nan 8.360 nan 0.000 0.459 23 V N -0.005 119.772 119.914 -0.229 0.000 2.427 23 V HA -0.259 3.839 4.120 -0.035 0.000 0.248 23 V C 2.363 178.391 176.094 -0.110 0.000 1.051 23 V CA 2.177 64.359 62.300 -0.196 0.000 1.048 23 V CB -0.527 31.114 31.823 -0.304 0.000 0.666 23 V HN 0.153 nan 8.190 nan 0.000 0.456 24 Q N 0.899 120.636 119.800 -0.105 0.000 2.045 24 Q HA -0.152 4.167 4.340 -0.035 0.000 0.206 24 Q C 2.237 178.217 176.000 -0.034 0.000 0.991 24 Q CA 2.663 58.436 55.803 -0.050 0.000 0.851 24 Q CB -0.847 27.867 28.738 -0.039 0.000 0.911 24 Q HN 0.725 nan 8.270 nan 0.000 0.418 25 G N 0.612 109.385 108.800 -0.044 0.000 2.422 25 G HA2 -0.221 3.718 3.960 -0.035 0.000 0.218 25 G HA3 -0.221 3.718 3.960 -0.035 0.000 0.218 25 G C 1.384 176.270 174.900 -0.024 0.000 1.146 25 G CA 0.904 45.986 45.100 -0.031 0.000 0.769 25 G HN 0.378 nan 8.290 nan 0.000 0.547 26 I N 0.367 120.918 120.570 -0.032 0.000 2.202 26 I HA -0.097 4.052 4.170 -0.035 0.000 0.242 26 I C 2.532 178.645 176.117 -0.007 0.000 1.091 26 I CA 0.692 61.981 61.300 -0.019 0.000 1.368 26 I CB -0.171 37.815 38.000 -0.023 0.000 1.058 26 I HN 0.088 nan 8.210 nan 0.000 0.410 27 L N 0.056 121.275 121.223 -0.007 0.000 2.353 27 L HA -0.153 4.166 4.340 -0.035 0.000 0.220 27 L C 2.571 179.447 176.870 0.011 0.000 1.133 27 L CA 1.000 55.845 54.840 0.009 0.000 0.798 27 L CB -0.473 41.594 42.059 0.014 0.000 0.922 27 L HN 0.219 nan 8.230 nan 0.000 0.445 28 R N -0.827 119.675 120.500 0.004 0.000 2.048 28 R HA -0.013 4.306 4.340 -0.035 0.000 0.221 28 R C 2.293 178.594 176.300 0.002 0.000 1.174 28 R CA 1.471 57.574 56.100 0.005 0.000 0.971 28 R CB -0.532 29.768 30.300 0.001 0.000 0.863 28 R HN 0.171 nan 8.270 nan 0.000 0.439 29 T N 1.203 115.756 114.554 -0.002 0.000 2.778 29 T HA -0.172 4.157 4.350 -0.035 0.000 0.269 29 T C 1.783 176.484 174.700 0.002 0.000 1.050 29 T CA 1.518 63.617 62.100 -0.002 0.000 1.137 29 T CB -0.177 68.689 68.868 -0.005 0.000 0.860 29 T HN 0.346 nan 8.240 nan 0.000 0.468 30 A N 0.221 123.043 122.820 0.004 0.000 2.123 30 A HA 0.508 4.807 4.320 -0.035 0.000 0.214 30 A C 2.011 179.601 177.584 0.010 0.000 1.152 30 A CA 1.009 53.051 52.037 0.008 0.000 0.728 30 A CB -0.474 18.533 19.000 0.011 0.000 0.814 30 A HN 0.806 nan 8.150 nan 0.000 0.464 31 G N -1.769 107.037 108.800 0.010 0.000 2.148 31 G HA2 -0.174 3.765 3.960 -0.035 0.000 0.203 31 G HA3 -0.174 3.765 3.960 -0.035 0.000 0.203 31 G C 0.506 175.415 174.900 0.015 0.000 0.993 31 G CA 0.274 45.380 45.100 0.011 0.000 0.661 31 G HN 0.419 nan 8.290 nan 0.000 0.518 32 L N -0.839 120.396 121.223 0.021 0.000 2.693 32 L HA 0.516 4.835 4.340 -0.035 0.000 0.235 32 L C 1.021 177.911 176.870 0.034 0.000 1.127 32 L CA 0.149 55.005 54.840 0.027 0.000 0.914 32 L CB 0.682 42.762 42.059 0.034 0.000 1.193 32 L HN 0.169 nan 8.230 nan 0.000 0.502 33 L N 0.471 121.715 121.223 0.035 0.000 2.678 33 L HA 0.514 4.833 4.340 -0.035 0.000 0.250 33 L C 0.579 177.480 176.870 0.053 0.000 1.455 33 L CA -0.193 54.677 54.840 0.049 0.000 0.823 33 L CB 0.446 42.534 42.059 0.049 0.000 1.107 33 L HN -0.052 nan 8.230 nan 0.000 0.514 34 G N 0.685 109.512 108.800 0.046 0.000 2.508 34 G HA2 0.472 4.411 3.960 -0.035 0.000 0.278 34 G HA3 0.472 4.411 3.960 -0.035 0.000 0.278 34 G C -2.551 172.389 174.900 0.067 0.000 1.389 34 G CA -0.951 44.173 45.100 0.040 0.000 1.050 34 G HN 0.302 nan 8.290 nan 0.000 0.522 35 P HA 0.408 nan 4.420 nan 0.000 0.272 35 P C 0.599 177.946 177.300 0.078 0.000 1.240 35 P CA 1.173 64.318 63.100 0.075 0.000 0.791 35 P CB 0.473 32.191 31.700 0.029 0.000 0.978 36 E N -1.978 118.284 120.200 0.103 0.000 4.278 36 E HA -0.284 4.045 4.350 -0.035 0.000 0.339 36 E C 0.346 176.975 176.600 0.049 0.000 0.624 36 E CA 1.764 58.204 56.400 0.066 0.000 1.405 36 E CB -2.404 27.311 29.700 0.024 0.000 1.797 36 E HN 0.503 nan 8.360 nan 0.000 0.400 37 K N 0.174 120.617 120.400 0.072 0.000 2.172 37 K HA 0.774 5.073 4.320 -0.035 0.000 0.276 37 K C -0.389 176.265 176.600 0.090 0.000 1.013 37 K CA -0.156 56.166 56.287 0.059 0.000 0.913 37 K CB 1.784 34.316 32.500 0.053 0.000 1.055 37 K HN 0.348 nan 8.250 nan 0.000 0.461 38 R N 2.185 122.724 120.500 0.065 0.000 2.548 38 R HA 0.468 4.786 4.340 -0.035 0.000 0.280 38 R C -0.547 175.775 176.300 0.036 0.000 1.061 38 R CA -0.835 55.260 56.100 -0.008 0.000 0.915 38 R CB 0.883 31.155 30.300 -0.047 0.000 1.210 38 R HN 0.641 nan 8.270 nan 0.000 0.442 39 I N 2.153 122.711 120.570 -0.020 0.000 2.436 39 I HA 0.261 4.410 4.170 -0.035 0.000 0.289 39 I C 1.393 177.530 176.117 0.033 0.000 1.083 39 I CA 0.223 61.539 61.300 0.027 0.000 1.372 39 I CB 1.553 39.546 38.000 -0.013 0.000 1.408 39 I HN 0.915 nan 8.210 nan 0.000 0.516 40 A N 6.530 129.429 122.820 0.131 0.000 2.095 40 A HA 0.069 4.368 4.320 -0.035 0.000 0.212 40 A C 0.280 177.991 177.584 0.211 0.000 1.162 40 A CA 0.701 52.828 52.037 0.150 0.000 0.753 40 A CB 0.236 19.356 19.000 0.200 0.000 0.840 40 A HN 0.676 nan 8.150 nan 0.000 0.468 41 Y N -1.652 118.667 120.300 0.033 0.000 2.482 41 Y HA 0.590 5.118 4.550 -0.036 0.000 0.334 41 Y C -1.742 174.057 175.900 -0.168 0.000 1.091 41 Y CA -1.237 56.782 58.100 -0.134 0.000 1.027 41 Y CB 1.375 39.614 38.460 -0.369 0.000 1.306 41 Y HN 0.140 nan 8.280 nan 0.000 0.446 42 L N 5.563 126.219 121.223 -0.945 0.000 2.470 42 L HA 0.994 5.313 4.340 -0.035 0.000 0.268 42 L C -1.111 175.229 176.870 -0.884 0.000 0.964 42 L CA -0.229 54.164 54.840 -0.744 0.000 0.839 42 L CB 1.970 43.869 42.059 -0.267 0.000 1.276 42 L HN 0.919 nan 8.230 nan 0.000 0.403 43 G N 2.782 111.200 108.800 -0.636 0.000 2.698 43 G HA2 0.468 4.407 3.960 -0.035 0.000 0.293 43 G HA3 0.468 4.407 3.960 -0.035 0.000 0.293 43 G C -1.894 172.858 174.900 -0.247 0.000 1.437 43 G CA -0.599 44.324 45.100 -0.296 0.000 0.852 43 G HN 0.486 nan 8.290 nan 0.000 0.499 44 V N 1.118 120.724 119.914 -0.514 0.000 2.686 44 V HA 0.486 4.585 4.120 -0.035 0.000 0.295 44 V C 0.288 176.130 176.094 -0.419 0.000 1.055 44 V CA -0.415 61.318 62.300 -0.944 0.000 1.050 44 V CB 0.690 31.898 31.823 -1.025 0.000 0.984 44 V HN 0.546 nan 8.190 nan 0.000 0.482 45 L N 5.460 126.468 121.223 -0.360 0.000 2.350 45 L HA 0.411 4.729 4.340 -0.035 0.000 0.275 45 L C 0.112 176.859 176.870 -0.205 0.000 1.099 45 L CA -0.702 54.027 54.840 -0.185 0.000 0.808 45 L CB 0.777 42.765 42.059 -0.118 0.000 1.149 45 L HN 0.587 nan 8.230 nan 0.000 0.442 46 D N 2.643 122.971 120.400 -0.121 0.000 2.399 46 D HA 0.163 4.782 4.640 -0.035 0.000 0.241 46 D C -1.983 174.209 176.300 -0.181 0.000 1.133 46 D CA -0.785 53.131 54.000 -0.140 0.000 0.890 46 D CB 0.292 41.125 40.800 0.055 0.000 1.201 46 D HN 0.251 nan 8.370 nan 0.000 0.432 47 P HA 0.141 nan 4.420 nan 0.000 0.268 47 P C -0.675 176.569 177.300 -0.093 0.000 1.208 47 P CA -0.238 62.716 63.100 -0.243 0.000 0.777 47 P CB 0.442 31.918 31.700 -0.373 0.000 0.875 48 A N 2.793 125.574 122.820 -0.065 0.000 2.346 48 A HA 0.243 4.542 4.320 -0.035 0.000 0.252 48 A C 0.421 177.986 177.584 -0.031 0.000 1.089 48 A CA -0.358 51.664 52.037 -0.024 0.000 0.797 48 A CB 0.107 19.093 19.000 -0.024 0.000 1.047 48 A HN 0.390 nan 8.150 nan 0.000 0.494 49 R N 0.012 120.482 120.500 -0.050 0.000 2.522 49 R HA 0.307 4.625 4.340 -0.035 0.000 0.284 49 R C 1.368 177.627 176.300 -0.068 0.000 1.032 49 R CA 1.263 57.291 56.100 -0.121 0.000 1.049 49 R CB -0.187 29.979 30.300 -0.224 0.000 0.956 49 R HN 1.633 nan 8.270 nan 0.000 0.422 50 G N 1.537 110.314 108.800 -0.040 0.000 2.383 50 G HA2 -0.345 3.593 3.960 -0.035 0.000 0.229 50 G HA3 -0.345 3.593 3.960 -0.035 0.000 0.229 50 G C 0.222 175.123 174.900 0.002 0.000 1.089 50 G CA 0.083 45.177 45.100 -0.009 0.000 0.640 50 G HN 0.865 nan 8.290 nan 0.000 0.510 51 A N 0.945 123.759 122.820 -0.011 0.000 2.444 51 A HA 0.742 5.041 4.320 -0.035 0.000 0.273 51 A C 1.005 178.584 177.584 -0.009 0.000 1.136 51 A CA 1.442 53.470 52.037 -0.015 0.000 0.799 51 A CB -0.039 18.942 19.000 -0.032 0.000 1.081 51 A HN 2.376 nan 8.150 nan 0.000 0.509 56 E N 0.405 120.583 120.200 -0.037 0.000 2.390 56 E HA 0.464 4.793 4.350 -0.035 0.000 0.261 56 E C -1.030 175.542 176.600 -0.047 0.000 1.076 56 E CA 0.326 56.692 56.400 -0.057 0.000 0.905 56 E CB 0.499 30.157 29.700 -0.071 0.000 0.984 56 E HN 0.550 nan 8.360 nan 0.000 0.427 57 D N 0.778 121.142 120.400 -0.061 0.000 2.473 57 D HA 0.213 4.832 4.640 -0.035 0.000 0.253 57 D C -0.932 175.335 176.300 -0.056 0.000 1.233 57 D CA -0.619 53.356 54.000 -0.042 0.000 0.908 57 D CB 0.594 41.374 40.800 -0.034 0.000 1.170 57 D HN 0.270 nan 8.370 nan 0.000 0.558 58 R N 3.700 124.186 120.500 -0.022 0.000 2.220 58 R HA 0.363 4.682 4.340 -0.035 0.000 0.340 58 R C 0.118 176.454 176.300 0.060 0.000 1.076 58 R CA -0.294 55.798 56.100 -0.013 0.000 0.920 58 R CB 0.659 30.999 30.300 0.068 0.000 1.062 58 R HN 0.356 nan 8.270 nan 0.000 0.469 59 R N 2.516 122.999 120.500 -0.029 0.000 2.532 59 R HA 0.455 4.774 4.340 -0.035 0.000 0.295 59 R C -0.543 175.726 176.300 -0.052 0.000 0.968 59 R CA -0.547 55.575 56.100 0.035 0.000 0.916 59 R CB 1.219 31.514 30.300 -0.008 0.000 1.124 59 R HN 0.219 nan 8.270 nan 0.000 0.463 60 F N 0.894 120.827 119.950 -0.029 0.000 2.508 60 F HA 0.471 4.977 4.527 -0.036 0.000 0.325 60 F C 0.498 176.290 175.800 -0.012 0.000 1.090 60 F CA -0.808 57.169 58.000 -0.037 0.000 0.945 60 F CB 1.699 40.665 39.000 -0.057 0.000 1.156 60 F HN 0.183 nan 8.300 nan 0.000 0.463 61 R N 2.125 122.704 120.500 0.133 0.000 2.514 61 R HA 0.856 5.175 4.340 -0.035 0.000 0.301 61 R C -2.027 174.329 176.300 0.093 0.000 0.962 61 R CA -0.542 55.638 56.100 0.133 0.000 0.882 61 R CB 1.700 32.081 30.300 0.135 0.000 1.143 61 R HN 0.568 nan 8.270 nan 0.000 0.452 62 V N 4.504 124.503 119.914 0.141 0.000 2.760 62 V HA 0.497 4.595 4.120 -0.035 0.000 0.309 62 V C -1.167 175.142 176.094 0.358 0.000 1.077 62 V CA -0.867 61.506 62.300 0.122 0.000 0.910 62 V CB 1.928 33.814 31.823 0.105 0.000 1.008 62 V HN 0.552 nan 8.190 nan 0.000 0.424 63 F N 4.078 124.196 119.950 0.279 0.000 2.411 63 F HA 0.640 5.146 4.527 -0.036 0.000 0.352 63 F C 0.134 176.033 175.800 0.166 0.000 1.123 63 F CA -1.752 56.400 58.000 0.252 0.000 1.044 63 F CB 1.296 40.488 39.000 0.320 0.000 1.135 63 F HN 0.219 nan 8.300 nan 0.000 0.461 64 I N 3.882 124.635 120.570 0.304 0.000 2.355 64 I HA 0.215 4.364 4.170 -0.035 0.000 0.288 64 I C -0.131 176.088 176.117 0.171 0.000 0.999 64 I CA -0.723 60.691 61.300 0.190 0.000 1.163 64 I CB 1.268 39.344 38.000 0.126 0.000 1.316 64 I HN 0.526 nan 8.210 nan 0.000 0.454 65 H N 4.370 123.476 119.070 0.060 0.000 2.505 65 H HA 0.453 4.988 4.556 -0.035 0.000 0.355 65 H C -0.407 174.930 175.328 0.015 0.000 1.179 65 H CA 0.061 56.123 56.048 0.023 0.000 1.343 65 H CB 1.258 31.030 29.762 0.017 0.000 1.501 65 H HN 0.705 nan 8.280 nan 0.000 0.569 66 D N 3.487 123.465 120.400 -0.703 0.000 2.454 66 D HA 0.523 5.142 4.640 -0.035 0.000 0.247 66 D C 1.178 177.147 176.300 -0.552 0.000 1.129 66 D CA -0.005 53.726 54.000 -0.448 0.000 0.877 66 D CB 0.440 41.085 40.800 -0.259 0.000 1.082 66 D HN 0.822 nan 8.370 nan 0.000 0.537 67 V N 0.113 119.874 119.914 -0.256 0.000 2.970 67 V HA 0.289 4.387 4.120 -0.035 0.000 0.260 67 V C 2.517 178.577 176.094 -0.057 0.000 1.100 67 V CA 2.429 64.680 62.300 -0.081 0.000 1.122 67 V CB -0.607 31.244 31.823 0.047 0.000 0.721 67 V HN 0.795 nan 8.190 nan 0.000 0.483 68 S N 0.120 115.778 115.700 -0.071 0.000 2.701 68 S HA 0.407 4.856 4.470 -0.035 0.000 0.220 68 S C 1.781 176.342 174.600 -0.064 0.000 0.954 68 S CA 0.873 59.045 58.200 -0.047 0.000 0.936 68 S CB -0.585 62.596 63.200 -0.032 0.000 0.777 68 S HN 2.062 nan 8.310 nan 0.000 0.518 69 G N -0.366 108.373 108.800 -0.102 0.000 2.184 69 G HA2 0.044 3.982 3.960 -0.035 0.000 0.264 69 G HA3 0.044 3.982 3.960 -0.035 0.000 0.264 69 G C 0.488 175.334 174.900 -0.091 0.000 0.975 69 G CA 0.384 45.430 45.100 -0.089 0.000 0.642 69 G HN 1.604 nan 8.290 nan 0.000 0.536 70 A N -0.089 122.671 122.820 -0.100 0.000 2.346 70 A HA 0.715 5.014 4.320 -0.035 0.000 0.252 70 A C 0.903 178.429 177.584 -0.098 0.000 1.089 70 A CA 0.034 52.022 52.037 -0.081 0.000 0.797 70 A CB 0.292 19.253 19.000 -0.065 0.000 1.047 70 A HN 0.554 nan 8.150 nan 0.000 0.494 71 R N 0.905 121.360 120.500 -0.075 0.000 2.590 71 R HA 0.256 4.575 4.340 -0.035 0.000 0.274 71 R C -2.201 174.050 176.300 -0.081 0.000 1.061 71 R CA -1.067 54.986 56.100 -0.079 0.000 1.081 71 R CB -0.067 30.190 30.300 -0.071 0.000 0.984 71 R HN 0.561 nan 8.270 nan 0.000 0.448 72 P HA 0.080 nan 4.420 nan 0.000 0.274 72 P C -1.001 176.265 177.300 -0.056 0.000 1.246 72 P CA -0.127 62.938 63.100 -0.058 0.000 0.795 72 P CB 0.673 32.342 31.700 -0.051 0.000 1.006 73 Q N -0.016 119.785 119.800 0.002 0.000 2.365 73 Q HA 0.400 4.719 4.340 -0.035 0.000 0.269 73 Q C -0.628 175.438 176.000 0.110 0.000 1.061 73 Q CA -0.893 54.930 55.803 0.033 0.000 0.816 73 Q CB 1.524 30.294 28.738 0.053 0.000 1.325 73 Q HN 0.651 nan 8.270 nan 0.000 0.446 74 E N 0.908 121.183 120.200 0.124 0.000 2.133 74 E HA 0.603 4.932 4.350 -0.035 0.000 0.274 74 E C -1.452 175.284 176.600 0.228 0.000 0.930 74 E CA -0.541 56.026 56.400 0.278 0.000 0.770 74 E CB 1.470 31.343 29.700 0.288 0.000 1.104 74 E HN 0.469 nan 8.360 nan 0.000 0.403 75 V N 3.778 123.845 119.914 0.255 0.000 2.638 75 V HA 0.325 4.424 4.120 -0.035 0.000 0.306 75 V C -0.360 175.831 176.094 0.162 0.000 1.052 75 V CA -0.756 61.645 62.300 0.169 0.000 0.885 75 V CB 2.259 34.161 31.823 0.132 0.000 0.999 75 V HN 0.726 nan 8.190 nan 0.000 0.424 76 T N 4.149 118.778 114.554 0.125 0.000 2.771 76 T HA 0.657 4.986 4.350 -0.035 0.000 0.281 76 T C -0.461 174.295 174.700 0.092 0.000 0.982 76 T CA -0.330 61.837 62.100 0.110 0.000 0.978 76 T CB 1.554 70.475 68.868 0.089 0.000 0.930 76 T HN 0.362 nan 8.240 nan 0.000 0.447 77 V N 2.549 122.527 119.914 0.107 0.000 2.680 77 V HA 0.568 4.667 4.120 -0.035 0.000 0.309 77 V C 0.122 176.279 176.094 0.105 0.000 1.052 77 V CA -0.862 61.490 62.300 0.088 0.000 0.908 77 V CB 2.160 34.024 31.823 0.068 0.000 1.001 77 V HN 0.872 nan 8.190 nan 0.000 0.431 78 S N 2.890 118.632 115.700 0.070 0.000 2.410 78 S HA 0.257 4.706 4.470 -0.035 0.000 0.304 78 S C 0.667 175.304 174.600 0.061 0.000 1.095 78 S CA -0.269 57.973 58.200 0.069 0.000 1.089 78 S CB 1.315 64.538 63.200 0.038 0.000 0.968 78 S HN 0.613 nan 8.310 nan 0.000 0.480 79 V N 5.330 125.303 119.914 0.098 0.000 2.719 79 V HA -0.043 4.056 4.120 -0.035 0.000 0.252 79 V C 2.071 178.184 176.094 0.032 0.000 1.065 79 V CA 2.359 64.687 62.300 0.046 0.000 1.086 79 V CB -0.621 31.233 31.823 0.053 0.000 0.700 79 V HN 0.989 nan 8.190 nan 0.000 0.467 80 T N 0.859 115.438 114.554 0.042 0.000 2.777 80 T HA -0.098 4.231 4.350 -0.035 0.000 0.266 80 T C 1.574 176.279 174.700 0.010 0.000 1.040 80 T CA 1.683 63.796 62.100 0.020 0.000 1.141 80 T CB -0.254 68.622 68.868 0.013 0.000 0.868 80 T HN 0.477 nan 8.240 nan 0.000 0.444 81 N N 0.206 118.913 118.700 0.011 0.000 2.325 81 N HA 0.158 4.876 4.740 -0.035 0.000 0.182 81 N C 1.257 176.770 175.510 0.004 0.000 1.088 81 N CA 0.639 53.692 53.050 0.006 0.000 0.879 81 N CB 0.475 38.966 38.487 0.007 0.000 0.983 81 N HN 0.512 nan 8.380 nan 0.000 0.471 82 G N 1.630 110.432 108.800 0.005 0.000 2.225 82 G HA2 -0.253 3.686 3.960 -0.035 0.000 0.264 82 G HA3 -0.253 3.686 3.960 -0.035 0.000 0.264 82 G C 0.086 174.987 174.900 0.002 0.000 1.060 82 G CA 0.871 45.970 45.100 -0.002 0.000 0.833 82 G HN 0.504 nan 8.290 nan 0.000 0.498 83 T N -3.700 110.860 114.554 0.010 0.000 2.901 83 T HA 0.703 5.032 4.350 -0.035 0.000 0.293 83 T C -0.224 174.488 174.700 0.021 0.000 1.084 83 T CA -0.600 61.508 62.100 0.013 0.000 1.008 83 T CB 2.672 71.548 68.868 0.013 0.000 1.170 83 T HN 0.802 nan 8.240 nan 0.000 0.509 84 V N 3.421 123.348 119.914 0.022 0.000 2.408 84 V HA 0.170 4.269 4.120 -0.035 0.000 0.267 84 V C 1.182 177.294 176.094 0.031 0.000 1.047 84 V CA -0.605 61.714 62.300 0.031 0.000 0.937 84 V CB 0.332 32.172 31.823 0.030 0.000 0.999 84 V HN 0.800 nan 8.190 nan 0.000 0.472 85 I N 3.369 123.962 120.570 0.038 0.000 2.277 85 I HA 0.007 4.156 4.170 -0.035 0.000 0.243 85 I C 1.085 177.223 176.117 0.035 0.000 1.094 85 I CA 1.258 62.578 61.300 0.034 0.000 1.393 85 I CB -0.340 37.682 38.000 0.036 0.000 1.078 85 I HN 0.796 nan 8.210 nan 0.000 0.417 86 S N -0.429 115.299 115.700 0.047 0.000 2.570 86 S HA 0.821 5.270 4.470 -0.035 0.000 0.270 86 S C -0.936 173.700 174.600 0.060 0.000 1.149 86 S CA -0.523 57.706 58.200 0.048 0.000 0.837 86 S CB 2.710 65.941 63.200 0.050 0.000 1.124 86 S HN 0.321 nan 8.310 nan 0.000 0.465 87 A N 1.149 124.001 122.820 0.054 0.000 2.456 87 A HA 0.725 5.024 4.320 -0.035 0.000 0.288 87 A C -1.342 176.270 177.584 0.046 0.000 1.042 87 A CA -0.658 51.414 52.037 0.059 0.000 0.738 87 A CB 1.284 20.313 19.000 0.049 0.000 1.266 87 A HN 1.329 nan 8.150 nan 0.000 0.407 88 V N 1.676 121.621 119.914 0.051 0.000 2.709 88 V HA 0.450 4.549 4.120 -0.035 0.000 0.308 88 V C 0.096 176.195 176.094 0.009 0.000 1.062 88 V CA -0.682 61.635 62.300 0.029 0.000 0.901 88 V CB 1.877 33.721 31.823 0.034 0.000 1.003 88 V HN 0.978 nan 8.190 nan 0.000 0.425 89 E N 3.195 123.388 120.200 -0.012 0.000 2.338 89 E HA 0.451 4.780 4.350 -0.035 0.000 0.272 89 E C -1.258 175.300 176.600 -0.070 0.000 1.029 89 E CA -0.424 55.954 56.400 -0.037 0.000 0.872 89 E CB 0.916 30.596 29.700 -0.033 0.000 1.015 89 E HN 0.537 nan 8.360 nan 0.000 0.417 90 L N 3.833 124.985 121.223 -0.119 0.000 2.307 90 L HA 0.251 4.570 4.340 -0.035 0.000 0.282 90 L C -0.170 176.600 176.870 -0.167 0.000 1.051 90 L CA -0.602 54.120 54.840 -0.196 0.000 0.804 90 L CB 1.316 43.154 42.059 -0.369 0.000 1.197 90 L HN 0.567 nan 8.230 nan 0.000 0.431 91 D N 0.772 121.081 120.400 -0.152 0.000 2.479 91 D HA 0.068 4.686 4.640 -0.035 0.000 0.218 91 D C 1.360 177.570 176.300 -0.149 0.000 1.131 91 D CA -0.216 53.712 54.000 -0.120 0.000 0.916 91 D CB 0.959 41.709 40.800 -0.084 0.000 1.022 91 D HN 0.641 nan 8.370 nan 0.000 0.515 92 T N 0.549 115.005 114.554 -0.163 0.000 2.833 92 T HA -0.194 4.135 4.350 -0.035 0.000 0.269 92 T C 1.991 176.618 174.700 -0.121 0.000 1.054 92 T CA 0.878 62.871 62.100 -0.177 0.000 1.135 92 T CB -0.220 68.556 68.868 -0.153 0.000 0.869 92 T HN 0.261 nan 8.240 nan 0.000 0.466 93 A N 1.537 124.297 122.820 -0.099 0.000 1.978 93 A HA 0.285 4.584 4.320 -0.035 0.000 0.220 93 A C 2.702 180.224 177.584 -0.105 0.000 1.170 93 A CA 1.959 53.941 52.037 -0.092 0.000 0.636 93 A CB -1.187 17.768 19.000 -0.075 0.000 0.810 93 A HN 0.810 nan 8.150 nan 0.000 0.448 94 A N -1.060 121.706 122.820 -0.090 0.000 1.887 94 A HA 0.113 4.412 4.320 -0.035 0.000 0.210 94 A C 2.205 179.774 177.584 -0.026 0.000 1.221 94 A CA 1.873 53.865 52.037 -0.074 0.000 0.635 94 A CB -0.735 18.233 19.000 -0.053 0.000 0.881 94 A HN 0.702 nan 8.150 nan 0.000 0.456 95 T N -3.560 110.987 114.554 -0.012 0.000 3.069 95 T HA 0.480 4.809 4.350 -0.035 0.000 0.252 95 T C 0.829 175.643 174.700 0.190 0.000 1.053 95 T CA 0.812 62.972 62.100 0.100 0.000 0.964 95 T CB -0.007 68.861 68.868 -0.001 0.000 1.005 95 T HN 1.891 nan 8.240 nan 0.000 0.532 96 G N 1.012 109.856 108.800 0.073 0.000 2.587 96 G HA2 0.057 3.995 3.960 -0.035 0.000 0.686 96 G HA3 0.057 3.995 3.960 -0.035 0.000 0.686 96 G C -1.129 173.703 174.900 -0.113 0.000 1.236 96 G CA -1.069 44.077 45.100 0.077 0.000 0.820 96 G HN 0.241 nan 8.290 nan 0.000 0.645 97 E N -0.418 119.742 120.200 -0.067 0.000 2.345 97 E HA 0.565 4.894 4.350 -0.035 0.000 0.259 97 E C 0.623 177.187 176.600 -0.061 0.000 1.117 97 E CA -0.649 55.692 56.400 -0.098 0.000 0.913 97 E CB 1.129 30.789 29.700 -0.066 0.000 1.057 97 E HN 0.367 nan 8.360 nan 0.000 0.432 98 L N 2.066 123.250 121.223 -0.066 0.000 2.466 98 L HA 0.218 4.537 4.340 -0.035 0.000 0.257 98 L C -2.015 174.867 176.870 0.020 0.000 1.189 98 L CA -1.420 53.438 54.840 0.030 0.000 0.813 98 L CB -0.667 41.420 42.059 0.047 0.000 1.118 98 L HN 0.273 nan 8.230 nan 0.000 0.471 99 P HA 0.019 nan 4.420 nan 0.000 0.268 99 P C -0.814 176.453 177.300 -0.056 0.000 1.208 99 P CA -0.363 62.743 63.100 0.010 0.000 0.777 99 P CB 0.259 32.008 31.700 0.082 0.000 0.875 100 V N 3.175 123.006 119.914 -0.138 0.000 2.694 100 V HA -0.078 4.021 4.120 -0.035 0.000 0.306 100 V C 0.848 176.930 176.094 -0.019 0.000 1.054 100 V CA 0.449 62.668 62.300 -0.135 0.000 1.161 100 V CB -0.598 31.064 31.823 -0.269 0.000 0.916 100 V HN 0.311 nan 8.190 nan 0.000 0.490 101 L N 3.397 124.603 121.223 -0.029 0.000 2.375 101 L HA 0.288 4.607 4.340 -0.035 0.000 0.271 101 L C 1.572 178.499 176.870 0.094 0.000 1.107 101 L CA -0.093 54.752 54.840 0.007 0.000 0.806 101 L CB 0.964 42.987 42.059 -0.060 0.000 1.146 101 L HN 0.788 nan 8.230 nan 0.000 0.447 102 E N 1.645 121.926 120.200 0.134 0.000 2.110 102 E HA -0.250 4.079 4.350 -0.035 0.000 0.193 102 E C 1.533 178.213 176.600 0.133 0.000 0.988 102 E CA 1.671 58.199 56.400 0.213 0.000 0.804 102 E CB 0.172 30.004 29.700 0.220 0.000 0.745 102 E HN 0.766 nan 8.360 nan 0.000 0.458 103 E N 0.121 120.364 120.200 0.071 0.000 2.409 103 E HA -0.194 4.135 4.350 -0.035 0.000 0.198 103 E C 1.274 177.908 176.600 0.057 0.000 1.024 103 E CA 1.036 57.471 56.400 0.059 0.000 0.861 103 E CB -0.058 29.661 29.700 0.032 0.000 0.788 103 E HN 0.405 nan 8.360 nan 0.000 0.521 104 E N -0.429 119.803 120.200 0.053 0.000 2.489 104 E HA -0.017 4.312 4.350 -0.035 0.000 0.193 104 E C 1.750 178.389 176.600 0.065 0.000 1.057 104 E CA 0.516 56.942 56.400 0.044 0.000 0.866 104 E CB -0.124 29.586 29.700 0.016 0.000 0.916 104 E HN 0.534 nan 8.360 nan 0.000 0.500 105 F N 2.345 122.349 119.950 0.091 0.000 2.269 105 F HA -0.139 4.367 4.527 -0.035 0.000 0.301 105 F C 2.187 178.029 175.800 0.071 0.000 1.082 105 F CA 1.762 59.821 58.000 0.099 0.000 1.360 105 F CB -0.678 38.388 39.000 0.109 0.000 1.041 105 F HN 0.183 nan 8.300 nan 0.000 0.512 106 E N -0.464 119.770 120.200 0.056 0.000 2.307 106 E HA 0.010 4.339 4.350 -0.035 0.000 0.195 106 E C 1.858 178.469 176.600 0.020 0.000 0.975 106 E CA 1.258 57.682 56.400 0.039 0.000 0.878 106 E CB -0.612 29.113 29.700 0.042 0.000 0.845 106 E HN 0.331 nan 8.360 nan 0.000 0.488 107 V N 1.932 121.858 119.914 0.020 0.000 2.392 107 V HA -0.241 3.858 4.120 -0.035 0.000 0.249 107 V C 2.485 178.561 176.094 -0.030 0.000 1.059 107 V CA 1.522 63.823 62.300 0.002 0.000 1.051 107 V CB -0.317 31.512 31.823 0.010 0.000 0.658 107 V HN 0.174 nan 8.190 nan 0.000 0.455 108 V N 0.028 119.923 119.914 -0.031 0.000 2.261 108 V HA -0.322 3.777 4.120 -0.035 0.000 0.246 108 V C 2.420 178.424 176.094 -0.151 0.000 1.047 108 V CA 2.428 64.677 62.300 -0.085 0.000 1.015 108 V CB -0.682 31.111 31.823 -0.050 0.000 0.642 108 V HN 0.665 nan 8.190 nan 0.000 0.446 109 E N 0.031 120.176 120.200 -0.093 0.000 2.038 109 E HA -0.308 4.020 4.350 -0.035 0.000 0.195 109 E C 2.312 178.859 176.600 -0.089 0.000 1.000 109 E CA 1.882 58.228 56.400 -0.091 0.000 0.803 109 E CB -0.163 29.532 29.700 -0.009 0.000 0.750 109 E HN 0.686 nan 8.360 nan 0.000 0.448 110 Q N 0.062 119.833 119.800 -0.049 0.000 2.135 110 Q HA -0.172 4.146 4.340 -0.035 0.000 0.204 110 Q C 2.427 178.398 176.000 -0.048 0.000 0.981 110 Q CA 1.438 57.224 55.803 -0.028 0.000 0.856 110 Q CB -0.063 28.670 28.738 -0.008 0.000 0.902 110 Q HN 0.373 nan 8.270 nan 0.000 0.425 111 L N 0.029 121.203 121.223 -0.081 0.000 2.005 111 L HA -0.187 4.132 4.340 -0.035 0.000 0.207 111 L C 2.249 179.038 176.870 -0.135 0.000 1.072 111 L CA 0.935 55.721 54.840 -0.091 0.000 0.744 111 L CB -0.343 41.656 42.059 -0.100 0.000 0.895 111 L HN 0.244 nan 8.230 nan 0.000 0.433 112 L N -0.361 120.698 121.223 -0.273 0.000 2.191 112 L HA -0.196 4.122 4.340 -0.035 0.000 0.212 112 L C 2.733 179.498 176.870 -0.175 0.000 1.103 112 L CA 0.916 55.471 54.840 -0.474 0.000 0.769 112 L CB -0.720 40.587 42.059 -1.252 0.000 0.908 112 L HN 0.266 nan 8.230 nan 0.000 0.438 113 A N -0.290 122.498 122.820 -0.054 0.000 2.125 113 A HA -0.160 4.139 4.320 -0.035 0.000 0.219 113 A C 2.078 179.721 177.584 0.099 0.000 1.156 113 A CA 1.950 54.046 52.037 0.098 0.000 0.671 113 A CB -0.626 18.413 19.000 0.065 0.000 0.794 113 A HN 0.512 nan 8.150 nan 0.000 0.459 114 T N -3.552 111.034 114.554 0.053 0.000 3.132 114 T HA 0.178 4.507 4.350 -0.035 0.000 0.274 114 T C -0.009 174.722 174.700 0.052 0.000 1.011 114 T CA -0.039 62.090 62.100 0.049 0.000 0.899 114 T CB -0.096 68.787 68.868 0.026 0.000 1.089 114 T HN 0.320 nan 8.240 nan 0.000 0.543 115 D N 1.075 121.519 120.400 0.074 0.000 2.249 115 D HA 0.342 4.961 4.640 -0.035 0.000 0.246 115 D C 1.252 177.624 176.300 0.120 0.000 1.114 115 D CA 0.307 54.354 54.000 0.078 0.000 0.854 115 D CB 1.774 42.611 40.800 0.061 0.000 1.132 115 D HN 0.415 nan 8.370 nan 0.000 0.461 116 E N 4.222 124.468 120.200 0.076 0.000 2.153 116 E HA -0.211 4.118 4.350 -0.035 0.000 0.194 116 E C 1.943 178.583 176.600 0.068 0.000 0.988 116 E CA 1.176 57.613 56.400 0.062 0.000 0.811 116 E CB -0.395 29.326 29.700 0.035 0.000 0.746 116 E HN 0.627 nan 8.360 nan 0.000 0.466 117 R N -1.279 119.269 120.500 0.080 0.000 2.075 117 R HA -0.033 4.286 4.340 -0.035 0.000 0.232 117 R C 2.381 178.753 176.300 0.120 0.000 1.126 117 R CA 1.369 57.515 56.100 0.075 0.000 0.963 117 R CB -0.315 30.024 30.300 0.066 0.000 0.858 117 R HN 0.743 nan 8.270 nan 0.000 0.435 118 W N 1.489 122.770 121.300 -0.032 0.000 2.379 118 W HA -0.108 4.546 4.660 -0.009 0.000 0.307 118 W C 1.473 177.979 176.519 -0.021 0.000 1.200 118 W CA 1.166 58.494 57.345 -0.029 0.000 1.297 118 W CB -0.126 29.319 29.460 -0.025 0.000 1.140 118 W HN 0.068 nan 8.180 nan 0.000 0.507 119 L N 0.887 122.192 121.223 0.137 0.000 2.079 119 L HA -0.267 4.052 4.340 -0.035 0.000 0.210 119 L C 2.608 179.443 176.870 -0.058 0.000 1.081 119 L CA 1.770 56.624 54.840 0.023 0.000 0.752 119 L CB -0.888 41.211 42.059 0.066 0.000 0.896 119 L HN -0.061 nan 8.230 nan 0.000 0.433 120 K N 0.431 120.807 120.400 -0.040 0.000 2.057 120 K HA -0.155 4.144 4.320 -0.035 0.000 0.206 120 K C 2.170 178.706 176.600 -0.107 0.000 1.050 120 K CA 1.203 57.457 56.287 -0.056 0.000 0.935 120 K CB -0.059 32.424 32.500 -0.029 0.000 0.715 120 K HN 0.240 nan 8.250 nan 0.000 0.439 121 A N 1.436 124.160 122.820 -0.161 0.000 1.902 121 A HA -0.113 4.186 4.320 -0.035 0.000 0.217 121 A C 2.105 179.519 177.584 -0.283 0.000 1.181 121 A CA 1.257 53.156 52.037 -0.231 0.000 0.623 121 A CB -0.571 18.239 19.000 -0.316 0.000 0.818 121 A HN 0.322 nan 8.150 nan 0.000 0.443 122 L N -0.995 120.015 121.223 -0.355 0.000 2.056 122 L HA -0.153 4.165 4.340 -0.035 0.000 0.207 122 L C 3.091 179.863 176.870 -0.163 0.000 1.078 122 L CA 0.993 55.656 54.840 -0.295 0.000 0.749 122 L CB -0.604 41.272 42.059 -0.305 0.000 0.901 122 L HN 0.442 nan 8.230 nan 0.000 0.433 123 A N 0.215 122.961 122.820 -0.123 0.000 1.933 123 A HA -0.140 4.159 4.320 -0.035 0.000 0.218 123 A C 2.528 180.068 177.584 -0.074 0.000 1.175 123 A CA 1.577 53.567 52.037 -0.079 0.000 0.628 123 A CB -0.615 18.352 19.000 -0.055 0.000 0.814 123 A HN 0.389 nan 8.150 nan 0.000 0.444 124 A N -0.231 122.538 122.820 -0.085 0.000 2.024 124 A HA -0.143 4.155 4.320 -0.035 0.000 0.220 124 A C 2.097 179.639 177.584 -0.071 0.000 1.164 124 A CA 1.529 53.522 52.037 -0.073 0.000 0.643 124 A CB -0.329 18.625 19.000 -0.076 0.000 0.806 124 A HN 0.559 nan 8.150 nan 0.000 0.451 125 R N -0.758 119.689 120.500 -0.087 0.000 2.362 125 R HA 0.122 4.441 4.340 -0.035 0.000 0.227 125 R C -0.318 175.942 176.300 -0.067 0.000 0.905 125 R CA 0.170 56.224 56.100 -0.076 0.000 1.067 125 R CB 0.152 30.395 30.300 -0.094 0.000 1.078 125 R HN 0.472 nan 8.270 nan 0.000 0.516 126 N N 1.015 119.677 118.700 -0.065 0.000 2.740 126 N HA -0.181 4.538 4.740 -0.035 0.000 0.248 126 N C -1.002 174.476 175.510 -0.053 0.000 1.062 126 N CA 0.915 53.934 53.050 -0.051 0.000 0.704 126 N CB -1.347 37.117 38.487 -0.039 0.000 0.968 126 N HN 0.291 nan 8.380 nan 0.000 0.547 127 L N 0.310 121.491 121.223 -0.070 0.000 2.282 127 L HA 0.305 4.624 4.340 -0.035 0.000 0.288 127 L C 0.698 177.538 176.870 -0.050 0.000 1.033 127 L CA -0.814 53.985 54.840 -0.067 0.000 0.807 127 L CB 1.354 43.356 42.059 -0.095 0.000 1.209 127 L HN -0.083 nan 8.230 nan 0.000 0.423 128 D N 2.279 122.662 120.400 -0.029 0.000 2.358 128 D HA -0.019 4.600 4.640 -0.035 0.000 0.258 128 D C 0.824 177.128 176.300 0.007 0.000 1.223 128 D CA 0.196 54.190 54.000 -0.009 0.000 0.886 128 D CB 1.771 42.570 40.800 -0.002 0.000 1.120 128 D HN 0.292 nan 8.370 nan 0.000 0.482 129 V N 4.014 123.941 119.914 0.022 0.000 2.469 129 V HA -0.258 3.841 4.120 -0.035 0.000 0.251 129 V C 2.171 178.307 176.094 0.070 0.000 1.064 129 V CA 2.748 65.087 62.300 0.064 0.000 1.066 129 V CB -0.465 31.412 31.823 0.090 0.000 0.667 129 V HN 0.745 nan 8.190 nan 0.000 0.461 130 S N -0.810 114.918 115.700 0.046 0.000 2.442 130 S HA -0.169 4.280 4.470 -0.035 0.000 0.236 130 S C 1.733 176.355 174.600 0.036 0.000 1.007 130 S CA 1.361 59.586 58.200 0.041 0.000 0.965 130 S CB -0.411 62.808 63.200 0.032 0.000 0.773 130 S HN 0.746 nan 8.310 nan 0.000 0.504 131 K N 0.580 120.998 120.400 0.030 0.000 2.358 131 K HA 0.304 4.603 4.320 -0.035 0.000 0.197 131 K C -0.682 175.933 176.600 0.024 0.000 1.025 131 K CA -0.076 56.221 56.287 0.016 0.000 1.104 131 K CB 0.879 33.380 32.500 0.002 0.000 0.855 131 K HN 0.208 nan 8.250 nan 0.000 0.531 132 V N 3.438 123.387 119.914 0.058 0.000 2.348 132 V HA 0.181 4.280 4.120 -0.035 0.000 0.270 132 V C 0.170 176.333 176.094 0.115 0.000 1.037 132 V CA -0.702 61.656 62.300 0.096 0.000 0.872 132 V CB 0.740 32.653 31.823 0.150 0.000 1.002 132 V HN 0.159 nan 8.190 nan 0.000 0.464 133 R N 3.526 124.078 120.500 0.085 0.000 2.410 133 R HA 0.599 4.918 4.340 -0.035 0.000 0.288 133 R C -0.809 175.581 176.300 0.151 0.000 1.051 133 R CA -0.462 55.675 56.100 0.062 0.000 1.021 133 R CB 1.730 31.998 30.300 -0.055 0.000 1.032 133 R HN 0.445 nan 8.270 nan 0.000 0.481 134 V N 2.081 122.070 119.914 0.126 0.000 2.483 134 V HA 0.387 4.486 4.120 -0.035 0.000 0.297 134 V C 0.105 176.289 176.094 0.152 0.000 1.027 134 V CA -1.200 61.202 62.300 0.170 0.000 0.855 134 V CB 1.670 33.528 31.823 0.060 0.000 0.995 134 V HN 0.870 nan 8.190 nan 0.000 0.424 135 A N 7.573 130.547 122.820 0.256 0.000 2.450 135 A HA 0.626 4.925 4.320 -0.035 0.000 0.255 135 A C -2.192 175.538 177.584 0.243 0.000 1.096 135 A CA -1.213 50.975 52.037 0.253 0.000 0.778 135 A CB 0.124 19.368 19.000 0.408 0.000 1.031 135 A HN 0.606 nan 8.150 nan 0.000 0.494 136 P HA 0.323 nan 4.420 nan 0.000 0.280 136 P C -1.067 176.405 177.300 0.287 0.000 1.386 136 P CA 0.307 63.525 63.100 0.196 0.000 0.899 136 P CB 0.232 32.032 31.700 0.167 0.000 1.098 137 L N 2.653 124.076 121.223 0.333 0.000 2.346 137 L HA 0.362 4.681 4.340 -0.035 0.000 0.276 137 L C 1.023 178.207 176.870 0.522 0.000 1.006 137 L CA -0.873 54.271 54.840 0.506 0.000 0.817 137 L CB 1.812 44.305 42.059 0.723 0.000 1.272 137 L HN 0.280 nan 8.230 nan 0.000 0.421 138 S N 1.291 117.395 115.700 0.674 0.000 2.563 138 S HA 0.205 4.653 4.470 -0.035 0.000 0.284 138 S C 0.912 175.768 174.600 0.427 0.000 1.331 138 S CA -0.029 58.438 58.200 0.445 0.000 1.047 138 S CB 1.482 64.951 63.200 0.449 0.000 0.859 138 S HN 0.740 nan 8.310 nan 0.000 0.514 139 A N 3.281 126.228 122.820 0.212 0.000 1.984 139 A HA 0.554 4.853 4.320 -0.035 0.000 0.214 139 A C 1.599 179.352 177.584 0.281 0.000 1.173 139 A CA 0.674 52.779 52.037 0.113 0.000 0.673 139 A CB -1.553 17.422 19.000 -0.041 0.000 0.830 139 A HN 2.301 nan 8.150 nan 0.000 0.453 140 G N -1.600 107.333 108.800 0.223 0.000 2.641 140 G HA2 -0.083 3.856 3.960 -0.035 0.000 0.254 140 G HA3 -0.083 3.856 3.960 -0.035 0.000 0.254 140 G C -0.328 174.495 174.900 -0.128 0.000 1.315 140 G CA -0.101 45.048 45.100 0.082 0.000 0.907 140 G HN 1.159 nan 8.290 nan 0.000 0.572 141 V N 0.834 120.439 119.914 -0.516 0.000 2.482 141 V HA 0.724 4.823 4.120 -0.035 0.000 0.295 141 V C -0.204 175.387 176.094 -0.838 0.000 1.026 141 V CA -0.377 61.658 62.300 -0.442 0.000 0.856 141 V CB 1.136 32.774 31.823 -0.309 0.000 1.001 141 V HN 0.694 nan 8.190 nan 0.000 0.424 142 F N 1.875 121.814 119.950 -0.017 0.000 3.248 142 F HA 0.480 4.986 4.527 -0.034 0.000 0.244 142 F C 1.183 176.865 175.800 -0.196 0.000 1.581 142 F CA -0.731 57.215 58.000 -0.091 0.000 0.959 142 F CB 0.387 39.343 39.000 -0.073 0.000 1.844 142 F HN 0.334 nan 8.300 nan 0.000 0.343 143 E N -0.738 119.331 120.200 -0.218 0.000 2.444 143 E HA 0.091 4.420 4.350 -0.035 0.000 0.191 143 E C -1.293 175.130 176.600 -0.295 0.000 1.041 143 E CA 0.146 56.380 56.400 -0.277 0.000 0.883 143 E CB -0.350 29.182 29.700 -0.280 0.000 1.024 143 E HN 0.273 nan 8.360 nan 0.000 0.470 144 Y N 0.339 120.679 120.300 0.066 0.000 2.676 144 Y HA 0.404 4.934 4.550 -0.035 0.000 0.338 144 Y C 1.440 177.347 175.900 0.012 0.000 1.057 144 Y CA -0.859 57.267 58.100 0.043 0.000 1.314 144 Y CB 0.286 38.766 38.460 0.033 0.000 1.164 144 Y HN 0.029 nan 8.280 nan 0.000 0.509 145 A N 2.230 125.120 122.820 0.118 0.000 1.986 145 A HA -0.245 4.054 4.320 -0.035 0.000 0.220 145 A C 2.229 179.846 177.584 0.055 0.000 1.171 145 A CA 2.020 54.092 52.037 0.059 0.000 0.640 145 A CB -0.274 18.748 19.000 0.038 0.000 0.811 145 A HN 0.744 nan 8.150 nan 0.000 0.451 146 E N 0.645 120.891 120.200 0.077 0.000 2.268 146 E HA -0.201 4.128 4.350 -0.035 0.000 0.195 146 E C 1.281 177.898 176.600 0.028 0.000 0.995 146 E CA 1.412 57.839 56.400 0.045 0.000 0.836 146 E CB -0.469 29.258 29.700 0.045 0.000 0.763 146 E HN 0.772 nan 8.360 nan 0.000 0.491 147 E N 0.754 120.978 120.200 0.040 0.000 2.285 147 E HA -0.003 4.326 4.350 -0.035 0.000 0.194 147 E C 0.272 176.864 176.600 -0.012 0.000 0.997 147 E CA -0.069 56.336 56.400 0.008 0.000 0.845 147 E CB -0.031 29.678 29.700 0.015 0.000 0.782 147 E HN 0.189 nan 8.360 nan 0.000 0.491 148 R N 0.379 120.871 120.500 -0.013 0.000 2.473 148 R HA 0.086 4.405 4.340 -0.035 0.000 0.315 148 R C 0.970 177.247 176.300 -0.039 0.000 0.972 148 R CA 0.722 56.800 56.100 -0.037 0.000 1.047 148 R CB 0.148 30.425 30.300 -0.039 0.000 0.932 148 R HN 0.289 nan 8.270 nan 0.000 0.411 149 G N 2.253 111.023 108.800 -0.051 0.000 2.241 149 G HA2 -0.261 3.678 3.960 -0.035 0.000 0.244 149 G HA3 -0.261 3.678 3.960 -0.035 0.000 0.244 149 G C 0.027 174.905 174.900 -0.037 0.000 0.998 149 G CA -0.332 44.739 45.100 -0.049 0.000 0.621 149 G HN 0.436 nan 8.290 nan 0.000 0.519 150 R N 0.344 120.826 120.500 -0.030 0.000 2.457 150 R HA 0.566 4.885 4.340 -0.035 0.000 0.284 150 R C 0.313 176.599 176.300 -0.023 0.000 1.024 150 R CA -0.997 55.090 56.100 -0.020 0.000 1.025 150 R CB 0.785 31.075 30.300 -0.017 0.000 1.063 150 R HN 0.371 nan 8.270 nan 0.000 0.493 151 R N 3.085 123.580 120.500 -0.010 0.000 2.235 151 R HA 0.278 4.597 4.340 -0.035 0.000 0.338 151 R C -0.481 175.805 176.300 -0.025 0.000 1.087 151 R CA -0.210 55.882 56.100 -0.015 0.000 0.948 151 R CB 0.205 30.515 30.300 0.016 0.000 1.099 151 R HN 0.402 nan 8.270 nan 0.000 0.483 152 I N 5.966 126.512 120.570 -0.040 0.000 2.493 152 I HA 0.368 4.517 4.170 -0.035 0.000 0.298 152 I C -0.194 175.895 176.117 -0.047 0.000 0.998 152 I CA -0.884 60.384 61.300 -0.054 0.000 1.137 152 I CB 1.770 39.716 38.000 -0.090 0.000 1.310 152 I HN 0.575 nan 8.210 nan 0.000 0.445 153 L N 5.552 126.751 121.223 -0.040 0.000 2.381 153 L HA 0.550 4.869 4.340 -0.035 0.000 0.268 153 L C -0.042 176.805 176.870 -0.040 0.000 0.997 153 L CA -0.779 54.056 54.840 -0.009 0.000 0.818 153 L CB 2.335 44.410 42.059 0.026 0.000 1.310 153 L HN 0.530 nan 8.230 nan 0.000 0.416 154 R N 0.887 121.356 120.500 -0.052 0.000 2.643 154 R HA 0.738 5.056 4.340 -0.035 0.000 0.272 154 R C -0.206 176.137 176.300 0.071 0.000 0.995 154 R CA -0.827 55.212 56.100 -0.102 0.000 1.032 154 R CB 1.651 31.598 30.300 -0.588 0.000 1.126 154 R HN 0.737 nan 8.270 nan 0.000 0.505 155 G N 1.646 110.503 108.800 0.095 0.000 2.590 155 G HA2 0.580 4.519 3.960 -0.035 0.000 0.310 155 G HA3 0.580 4.519 3.960 -0.035 0.000 0.310 155 G C -1.008 174.072 174.900 0.300 0.000 1.347 155 G CA -0.599 44.590 45.100 0.147 0.000 0.963 155 G HN 0.262 nan 8.290 nan 0.000 0.494 156 L N 1.457 122.928 121.223 0.413 0.000 2.362 156 L HA 0.758 5.077 4.340 -0.035 0.000 0.271 156 L C 0.417 177.446 176.870 0.265 0.000 1.002 156 L CA -1.042 54.028 54.840 0.383 0.000 0.818 156 L CB 2.294 44.661 42.059 0.515 0.000 1.298 156 L HN 0.633 nan 8.230 nan 0.000 0.420 157 A N 2.697 125.538 122.820 0.035 0.000 2.312 157 A HA 0.865 5.164 4.320 -0.035 0.000 0.326 157 A C -1.245 176.053 177.584 -0.476 0.000 1.172 157 A CA -0.213 51.839 52.037 0.024 0.000 0.821 157 A CB 0.546 19.631 19.000 0.142 0.000 1.166 157 A HN 0.497 nan 8.150 nan 0.000 0.493 158 F N 1.028 120.959 119.950 -0.031 0.000 2.574 158 F HA 0.421 4.928 4.527 -0.032 0.000 0.313 158 F C -0.125 175.626 175.800 -0.083 0.000 1.130 158 F CA -0.688 57.244 58.000 -0.114 0.000 0.936 158 F CB 2.241 41.041 39.000 -0.334 0.000 1.219 158 F HN 0.318 nan 8.300 nan 0.000 0.445 159 V N 2.839 122.828 119.914 0.125 0.000 2.498 159 V HA 0.273 4.371 4.120 -0.035 0.000 0.279 159 V C -0.215 175.928 176.094 0.081 0.000 1.048 159 V CA -0.529 61.811 62.300 0.067 0.000 0.967 159 V CB 1.322 33.147 31.823 0.003 0.000 0.988 159 V HN 0.779 nan 8.190 nan 0.000 0.473 160 Q N 2.759 122.554 119.800 -0.007 0.000 2.368 160 Q HA 0.246 4.564 4.340 -0.035 0.000 0.263 160 Q C -0.050 175.889 176.000 -0.101 0.000 1.009 160 Q CA -0.660 55.097 55.803 -0.076 0.000 0.818 160 Q CB 1.361 30.026 28.738 -0.121 0.000 1.239 160 Q HN 0.759 nan 8.270 nan 0.000 0.464 161 D N 3.546 123.852 120.400 -0.157 0.000 2.183 161 D HA 0.020 4.638 4.640 -0.035 0.000 0.203 161 D C -0.020 176.350 176.300 0.116 0.000 0.969 161 D CA 1.199 55.176 54.000 -0.038 0.000 0.842 161 D CB 0.136 40.972 40.800 0.060 0.000 0.957 161 D HN 0.468 nan 8.370 nan 0.000 0.484 162 F N -4.519 115.429 119.950 -0.004 0.000 2.713 162 F HA 0.407 4.908 4.527 -0.043 0.000 0.311 162 F C -2.396 173.396 175.800 -0.013 0.000 1.141 162 F CA -2.101 55.892 58.000 -0.012 0.000 0.939 162 F CB 0.560 39.548 39.000 -0.021 0.000 1.325 162 F HN -0.422 nan 8.300 nan 0.000 0.453 163 P HA -0.182 nan 4.420 nan 0.000 0.218 163 P C 0.518 177.821 177.300 0.005 0.000 1.154 163 P CA 2.128 65.266 63.100 0.064 0.000 0.872 163 P CB 0.141 31.901 31.700 0.099 0.000 0.790 164 E N -1.224 119.034 120.200 0.098 0.000 2.437 164 E HA 0.023 4.352 4.350 -0.035 0.000 0.189 164 E C 0.077 176.548 176.600 -0.215 0.000 1.054 164 E CA -0.178 56.237 56.400 0.025 0.000 0.874 164 E CB -0.208 29.595 29.700 0.171 0.000 1.011 164 E HN 0.304 nan 8.360 nan 0.000 0.474 165 D N 0.681 120.679 120.400 -0.669 0.000 2.304 165 D HA -0.005 4.614 4.640 -0.035 0.000 0.247 165 D C -0.510 175.569 176.300 -0.369 0.000 1.089 165 D CA -0.023 53.470 54.000 -0.846 0.000 0.910 165 D CB 1.175 41.188 40.800 -1.312 0.000 1.199 165 D HN -0.191 nan 8.370 nan 0.000 0.426 166 S N 2.375 117.929 115.700 -0.244 0.000 2.416 166 S HA 0.391 4.840 4.470 -0.035 0.000 0.302 166 S C 1.038 175.562 174.600 -0.127 0.000 1.120 166 S CA -0.214 57.920 58.200 -0.110 0.000 1.067 166 S CB 0.211 63.400 63.200 -0.018 0.000 1.057 166 S HN 0.506 nan 8.310 nan 0.000 0.518 167 A N 5.021 127.662 122.820 -0.298 0.000 2.067 167 A HA 0.005 4.303 4.320 -0.035 0.000 0.219 167 A C 1.414 178.858 177.584 -0.234 0.000 1.158 167 A CA 0.728 52.597 52.037 -0.280 0.000 0.661 167 A CB -0.682 18.064 19.000 -0.423 0.000 0.801 167 A HN 0.993 nan 8.150 nan 0.000 0.452 168 W N -0.077 121.191 121.300 -0.054 0.000 2.421 168 W HA -0.011 4.632 4.660 -0.027 0.000 0.270 168 W C 2.424 179.060 176.519 0.194 0.000 1.233 168 W CA 0.794 58.123 57.345 -0.025 0.000 1.226 168 W CB -0.207 29.225 29.460 -0.046 0.000 1.121 168 W HN 0.361 nan 8.180 nan 0.000 0.579 169 A N -0.442 122.550 122.820 0.287 0.000 2.121 169 A HA -0.116 4.183 4.320 -0.035 0.000 0.218 169 A C 0.700 178.144 177.584 -0.234 0.000 1.154 169 A CA 1.043 53.119 52.037 0.065 0.000 0.679 169 A CB -0.650 18.276 19.000 -0.123 0.000 0.795 169 A HN 0.357 nan 8.150 nan 0.000 0.458 170 H N -0.580 118.614 119.070 0.208 0.000 2.471 170 H HA 0.254 4.802 4.556 -0.012 0.000 0.234 170 H C -2.897 172.466 175.328 0.058 0.000 1.388 170 H CA -2.428 53.684 56.048 0.106 0.000 1.198 170 H CB -0.389 29.413 29.762 0.067 0.000 1.714 170 H HN 0.359 nan 8.280 nan 0.000 0.536 171 P HA -0.001 nan 4.420 nan 0.000 0.269 171 P C 0.319 177.479 177.300 -0.234 0.000 1.209 171 P CA -0.220 62.721 63.100 -0.265 0.000 0.776 171 P CB 1.859 33.449 31.700 -0.183 0.000 0.876 172 V N 3.401 123.099 119.914 -0.360 0.000 2.277 172 V HA 0.168 4.267 4.120 -0.035 0.000 0.269 172 V C 0.631 176.599 176.094 -0.210 0.000 1.036 172 V CA -0.263 61.907 62.300 -0.216 0.000 0.821 172 V CB 0.374 32.072 31.823 -0.209 0.000 1.052 172 V HN 0.525 nan 8.190 nan 0.000 0.462 173 D N 3.147 123.438 120.400 -0.182 0.000 2.383 173 D HA 0.453 5.072 4.640 -0.035 0.000 0.248 173 D C 1.282 177.518 176.300 -0.107 0.000 1.170 173 D CA 1.156 54.978 54.000 -0.297 0.000 0.977 173 D CB 1.808 42.187 40.800 -0.702 0.000 1.120 173 D HN 0.738 nan 8.370 nan 0.000 0.481 174 G N 0.082 108.808 108.800 -0.124 0.000 2.148 174 G HA2 -0.211 3.728 3.960 -0.035 0.000 0.254 174 G HA3 -0.211 3.728 3.960 -0.035 0.000 0.254 174 G C -0.134 174.808 174.900 0.070 0.000 0.981 174 G CA 0.648 45.837 45.100 0.149 0.000 0.670 174 G HN 0.483 nan 8.290 nan 0.000 0.528 175 L N -0.276 120.959 121.223 0.021 0.000 2.464 175 L HA 0.895 5.214 4.340 -0.035 0.000 0.266 175 L C -0.836 176.109 176.870 0.125 0.000 0.965 175 L CA -1.020 53.831 54.840 0.018 0.000 0.833 175 L CB 2.392 44.384 42.059 -0.113 0.000 1.296 175 L HN 0.633 nan 8.230 nan 0.000 0.405 176 V N 3.908 123.927 119.914 0.174 0.000 2.969 176 V HA 0.962 5.060 4.120 -0.035 0.000 0.304 176 V C -1.312 174.841 176.094 0.099 0.000 1.192 176 V CA 0.297 62.734 62.300 0.228 0.000 0.962 176 V CB 2.099 34.081 31.823 0.264 0.000 1.045 176 V HN 1.173 nan 8.190 nan 0.000 0.428 177 A N 5.097 127.964 122.820 0.079 0.000 2.374 177 A HA 0.969 5.268 4.320 -0.035 0.000 0.317 177 A C -1.946 175.601 177.584 -0.061 0.000 1.094 177 A CA -0.458 51.511 52.037 -0.114 0.000 0.765 177 A CB 1.577 20.442 19.000 -0.226 0.000 1.268 177 A HN 0.843 nan 8.150 nan 0.000 0.438 178 Y N 0.296 120.476 120.300 -0.201 0.000 2.377 178 Y HA 0.635 5.165 4.550 -0.033 0.000 0.339 178 Y C -0.082 175.706 175.900 -0.186 0.000 1.011 178 Y CA -1.638 56.319 58.100 -0.240 0.000 1.093 178 Y CB 1.691 39.962 38.460 -0.315 0.000 1.201 178 Y HN 0.379 nan 8.280 nan 0.000 0.455 179 V N 2.558 122.469 119.914 -0.005 0.000 2.841 179 V HA 0.279 4.378 4.120 -0.035 0.000 0.310 179 V C -0.862 175.211 176.094 -0.034 0.000 1.090 179 V CA -1.069 61.206 62.300 -0.043 0.000 0.930 179 V CB 2.456 34.234 31.823 -0.076 0.000 1.014 179 V HN 0.665 nan 8.190 nan 0.000 0.425 180 D N 2.521 122.905 120.400 -0.028 0.000 2.347 180 D HA 0.229 4.848 4.640 -0.035 0.000 0.235 180 D C 0.794 177.089 176.300 -0.009 0.000 1.149 180 D CA -0.166 53.824 54.000 -0.018 0.000 0.850 180 D CB 2.029 42.822 40.800 -0.012 0.000 1.061 180 D HN 0.465 nan 8.370 nan 0.000 0.487 181 V N 2.184 122.097 119.914 -0.002 0.000 3.623 181 V HA 0.024 4.123 4.120 -0.035 0.000 0.271 181 V C 1.334 177.453 176.094 0.042 0.000 1.248 181 V CA 0.266 62.572 62.300 0.010 0.000 1.156 181 V CB 0.012 31.836 31.823 0.002 0.000 0.870 181 V HN 0.371 nan 8.190 nan 0.000 0.453 182 V N 1.326 121.270 119.914 0.050 0.000 2.521 182 V HA -0.031 4.068 4.120 -0.035 0.000 0.239 182 V C 2.794 178.907 176.094 0.032 0.000 1.053 182 V CA 1.770 64.110 62.300 0.068 0.000 1.073 182 V CB -0.035 31.832 31.823 0.073 0.000 0.746 182 V HN 0.693 nan 8.190 nan 0.000 0.476 183 S N -0.915 114.794 115.700 0.016 0.000 2.522 183 S HA -0.085 4.363 4.470 -0.035 0.000 0.227 183 S C 0.906 175.508 174.600 0.004 0.000 0.986 183 S CA 0.203 58.407 58.200 0.006 0.000 0.929 183 S CB -0.268 62.932 63.200 0.000 0.000 0.769 183 S HN 0.479 nan 8.310 nan 0.000 0.529 184 K N 1.017 121.419 120.400 0.004 0.000 3.162 184 K HA -0.172 4.127 4.320 -0.035 0.000 0.268 184 K C -0.310 176.283 176.600 -0.013 0.000 1.062 184 K CA 1.072 57.357 56.287 -0.004 0.000 0.769 184 K CB -2.109 30.393 32.500 0.002 0.000 1.274 184 K HN 0.916 nan 8.250 nan 0.000 0.478 185 E N -0.244 119.945 120.200 -0.017 0.000 2.227 185 E HA 0.425 4.754 4.350 -0.035 0.000 0.268 185 E C -0.793 175.786 176.600 -0.035 0.000 0.907 185 E CA -0.897 55.490 56.400 -0.022 0.000 0.786 185 E CB 1.742 31.433 29.700 -0.015 0.000 1.191 185 E HN 0.005 nan 8.360 nan 0.000 0.411 186 V N 4.076 123.965 119.914 -0.042 0.000 2.348 186 V HA 0.088 4.186 4.120 -0.035 0.000 0.270 186 V C 1.279 177.347 176.094 -0.042 0.000 1.037 186 V CA 0.202 62.468 62.300 -0.058 0.000 0.872 186 V CB 0.670 32.449 31.823 -0.074 0.000 1.002 186 V HN 0.971 nan 8.190 nan 0.000 0.464 187 T N 2.314 116.847 114.554 -0.036 0.000 3.014 187 T HA 0.134 4.463 4.350 -0.035 0.000 0.263 187 T C 0.793 175.461 174.700 -0.053 0.000 1.078 187 T CA 0.430 62.514 62.100 -0.027 0.000 1.135 187 T CB 0.350 69.213 68.868 -0.007 0.000 0.895 187 T HN 0.488 nan 8.240 nan 0.000 0.480 188 R N -0.552 119.884 120.500 -0.107 0.000 2.634 188 R HA 0.581 4.900 4.340 -0.035 0.000 0.263 188 R C -2.442 173.701 176.300 -0.261 0.000 1.060 188 R CA -0.580 55.394 56.100 -0.211 0.000 0.898 188 R CB 2.415 32.499 30.300 -0.361 0.000 1.253 188 R HN 0.098 nan 8.270 nan 0.000 0.461 189 V N 5.121 124.927 119.914 -0.179 0.000 2.483 189 V HA 0.520 4.618 4.120 -0.035 0.000 0.297 189 V C -0.414 175.610 176.094 -0.116 0.000 1.027 189 V CA -0.608 61.638 62.300 -0.090 0.000 0.855 189 V CB 1.867 33.731 31.823 0.069 0.000 0.995 189 V HN 0.578 nan 8.190 nan 0.000 0.424 190 I N 3.915 124.405 120.570 -0.132 0.000 2.389 190 I HA 0.477 4.626 4.170 -0.035 0.000 0.288 190 I C -0.969 175.137 176.117 -0.018 0.000 0.999 190 I CA -0.227 61.019 61.300 -0.091 0.000 1.129 190 I CB 1.837 39.759 38.000 -0.130 0.000 1.288 190 I HN 0.510 nan 8.210 nan 0.000 0.444 191 D N 4.547 124.941 120.400 -0.011 0.000 2.440 191 D HA 0.182 4.801 4.640 -0.035 0.000 0.252 191 D C 0.803 177.111 176.300 0.015 0.000 1.180 191 D CA -0.317 53.681 54.000 -0.004 0.000 0.894 191 D CB 1.503 42.284 40.800 -0.032 0.000 1.111 191 D HN 0.621 nan 8.370 nan 0.000 0.544 192 T N 0.266 114.849 114.554 0.049 0.000 3.107 192 T HA 0.494 4.823 4.350 -0.035 0.000 0.249 192 T C 0.909 175.639 174.700 0.051 0.000 1.096 192 T CA 0.212 62.348 62.100 0.061 0.000 1.012 192 T CB 0.220 69.148 68.868 0.100 0.000 0.977 192 T HN 0.553 nan 8.240 nan 0.000 0.527 193 G N 0.882 109.707 108.800 0.042 0.000 2.348 193 G HA2 0.303 4.242 3.960 -0.035 0.000 0.606 193 G HA3 0.303 4.242 3.960 -0.035 0.000 0.606 193 G C -0.768 174.134 174.900 0.004 0.000 1.466 193 G CA -0.623 44.464 45.100 -0.022 0.000 0.950 193 G HN 1.019 nan 8.290 nan 0.000 0.657 194 V N -1.023 118.848 119.914 -0.071 0.000 2.686 194 V HA 0.851 4.950 4.120 -0.035 0.000 0.295 194 V C -0.149 175.880 176.094 -0.108 0.000 1.055 194 V CA -0.612 61.670 62.300 -0.029 0.000 1.050 194 V CB 0.892 32.682 31.823 -0.055 0.000 0.984 194 V HN 0.810 nan 8.190 nan 0.000 0.482 195 F N 3.288 123.203 119.950 -0.058 0.000 2.532 195 F HA 0.708 5.207 4.527 -0.047 0.000 0.321 195 F C -2.053 173.722 175.800 -0.042 0.000 1.089 195 F CA -2.310 55.662 58.000 -0.047 0.000 0.926 195 F CB 1.885 40.856 39.000 -0.048 0.000 1.168 195 F HN 0.426 nan 8.300 nan 0.000 0.459 196 P HA 0.100 nan 4.420 nan 0.000 0.265 196 P C -0.853 176.504 177.300 0.095 0.000 1.193 196 P CA -0.159 62.990 63.100 0.082 0.000 0.765 196 P CB 0.463 32.203 31.700 0.065 0.000 0.823 197 V N 6.274 126.222 119.914 0.058 0.000 2.408 197 V HA 0.170 4.269 4.120 -0.035 0.000 0.267 197 V C -1.839 174.312 176.094 0.094 0.000 1.047 197 V CA -1.455 60.880 62.300 0.058 0.000 0.937 197 V CB 0.391 32.229 31.823 0.025 0.000 0.999 197 V HN 0.577 nan 8.190 nan 0.000 0.472 198 P HA 0.131 nan 4.420 nan 0.000 0.265 198 P C 0.367 177.825 177.300 0.263 0.000 1.193 198 P CA 0.129 63.313 63.100 0.139 0.000 0.765 198 P CB 0.923 32.672 31.700 0.081 0.000 0.823 199 A N 3.049 125.989 122.820 0.200 0.000 2.014 199 A HA 0.021 4.320 4.320 -0.035 0.000 0.210 199 A C 0.770 178.536 177.584 0.305 0.000 1.188 199 A CA 0.324 52.486 52.037 0.207 0.000 0.731 199 A CB -0.450 18.614 19.000 0.107 0.000 0.858 199 A HN 0.566 nan 8.150 nan 0.000 0.464 200 E N 0.972 121.309 120.200 0.229 0.000 2.442 200 E HA 0.177 4.506 4.350 -0.035 0.000 0.262 200 E C -0.257 176.521 176.600 0.296 0.000 1.004 200 E CA 0.086 56.600 56.400 0.191 0.000 0.928 200 E CB 0.280 30.049 29.700 0.116 0.000 0.937 200 E HN 0.767 nan 8.360 nan 0.000 0.446 201 H N -0.512 118.728 119.070 0.284 0.000 2.546 201 H HA 0.440 4.972 4.556 -0.040 0.000 0.365 201 H C 0.524 175.957 175.328 0.175 0.000 1.220 201 H CA -0.746 55.438 56.048 0.226 0.000 1.386 201 H CB 1.025 30.927 29.762 0.232 0.000 1.510 201 H HN 0.489 nan 8.280 nan 0.000 0.591 202 G N 1.287 110.258 108.800 0.285 0.000 4.331 202 G HA2 0.053 3.992 3.960 -0.035 0.000 0.299 202 G HA3 0.053 3.992 3.960 -0.035 0.000 0.299 202 G C -0.637 174.250 174.900 -0.021 0.000 1.158 202 G CA -0.644 44.479 45.100 0.038 0.000 0.916 202 G HN 0.615 nan 8.290 nan 0.000 0.553 203 N N 1.675 120.492 118.700 0.195 0.000 2.602 203 N HA 0.135 4.853 4.740 -0.035 0.000 0.238 203 N C 0.685 176.105 175.510 -0.150 0.000 1.084 203 N CA -0.472 52.478 53.050 -0.167 0.000 0.952 203 N CB 0.636 39.013 38.487 -0.184 0.000 1.244 203 N HN 0.539 nan 8.380 nan 0.000 0.512 204 Y N -0.586 119.706 120.300 -0.013 0.000 2.632 204 Y HA 0.024 4.554 4.550 -0.034 0.000 0.301 204 Y C 1.749 177.644 175.900 -0.009 0.000 1.172 204 Y CA 0.158 58.237 58.100 -0.035 0.000 1.328 204 Y CB -0.652 37.748 38.460 -0.100 0.000 1.016 204 Y HN 0.259 nan 8.280 nan 0.000 0.529 205 T N -3.966 110.549 114.554 -0.065 0.000 3.069 205 T HA 0.046 4.374 4.350 -0.035 0.000 0.252 205 T C 0.143 174.841 174.700 -0.003 0.000 1.053 205 T CA -0.191 61.912 62.100 0.006 0.000 0.964 205 T CB -0.204 68.654 68.868 -0.016 0.000 1.005 205 T HN 0.193 nan 8.240 nan 0.000 0.532 206 D N 2.875 123.271 120.400 -0.008 0.000 2.339 206 D HA 0.226 4.844 4.640 -0.035 0.000 0.256 206 D C -1.611 174.719 176.300 0.051 0.000 1.214 206 D CA -2.429 51.575 54.000 0.007 0.000 0.877 206 D CB 1.834 42.621 40.800 -0.022 0.000 1.111 206 D HN 0.002 nan 8.370 nan 0.000 0.478 207 P HA -0.173 nan 4.420 nan 0.000 0.218 207 P C 1.092 178.426 177.300 0.055 0.000 1.146 207 P CA 0.975 64.098 63.100 0.039 0.000 0.813 207 P CB 0.144 31.858 31.700 0.023 0.000 0.778 208 E N -0.576 119.667 120.200 0.072 0.000 2.118 208 E HA -0.218 4.111 4.350 -0.035 0.000 0.195 208 E C 1.684 178.350 176.600 0.111 0.000 0.992 208 E CA 1.106 57.564 56.400 0.097 0.000 0.804 208 E CB -0.527 29.254 29.700 0.134 0.000 0.741 208 E HN 0.119 nan 8.360 nan 0.000 0.458 209 L N 0.794 122.102 121.223 0.142 0.000 2.221 209 L HA 0.008 4.327 4.340 -0.035 0.000 0.202 209 L C 2.561 179.478 176.870 0.079 0.000 1.074 209 L CA 2.090 57.000 54.840 0.118 0.000 0.795 209 L CB -0.504 41.665 42.059 0.184 0.000 0.960 209 L HN 0.342 nan 8.230 nan 0.000 0.458 210 T N -2.483 112.117 114.554 0.077 0.000 2.904 210 T HA 0.303 4.632 4.350 -0.035 0.000 0.267 210 T C 1.215 175.941 174.700 0.043 0.000 1.059 210 T CA 0.589 62.723 62.100 0.057 0.000 1.137 210 T CB -0.947 67.954 68.868 0.055 0.000 0.879 210 T HN 0.747 nan 8.240 nan 0.000 0.467 211 G N 2.003 110.829 108.800 0.044 0.000 2.796 211 G HA2 -0.042 3.897 3.960 -0.035 0.000 0.226 211 G HA3 -0.042 3.897 3.960 -0.035 0.000 0.226 211 G C -2.866 172.051 174.900 0.028 0.000 1.381 211 G CA -0.690 44.430 45.100 0.034 0.000 0.867 211 G HN 0.566 nan 8.290 nan 0.000 0.552 212 P HA 0.386 nan 4.420 nan 0.000 0.268 212 P C 0.481 177.792 177.300 0.017 0.000 1.204 212 P CA -0.223 62.888 63.100 0.018 0.000 0.768 212 P CB 0.362 32.071 31.700 0.015 0.000 0.842 213 L N 3.400 124.633 121.223 0.016 0.000 2.439 213 L HA 0.211 4.530 4.340 -0.035 0.000 0.269 213 L C 1.322 178.199 176.870 0.011 0.000 1.179 213 L CA -0.367 54.482 54.840 0.015 0.000 0.828 213 L CB 0.108 42.176 42.059 0.015 0.000 1.106 213 L HN 0.314 nan 8.230 nan 0.000 0.467 214 R N 0.640 121.146 120.500 0.010 0.000 2.585 214 R HA 0.012 4.331 4.340 -0.035 0.000 0.275 214 R C 0.832 177.135 176.300 0.006 0.000 1.018 214 R CA 0.400 56.504 56.100 0.007 0.000 1.072 214 R CB 0.260 30.563 30.300 0.005 0.000 0.953 214 R HN 0.722 nan 8.270 nan 0.000 0.419 215 T N -2.918 111.639 114.554 0.005 0.000 3.134 215 T HA -0.002 4.327 4.350 -0.035 0.000 0.260 215 T C 1.251 175.953 174.700 0.003 0.000 1.027 215 T CA 0.123 62.225 62.100 0.004 0.000 0.913 215 T CB 0.240 69.111 68.868 0.005 0.000 1.046 215 T HN 0.662 nan 8.240 nan 0.000 0.553 216 T N -1.197 113.359 114.554 0.002 0.000 3.044 216 T HA 0.200 4.528 4.350 -0.035 0.000 0.250 216 T C 0.694 175.394 174.700 -0.000 0.000 1.081 216 T CA -0.224 61.877 62.100 0.001 0.000 1.040 216 T CB -0.231 68.638 68.868 0.001 0.000 0.962 216 T HN 0.407 nan 8.240 nan 0.000 0.506 217 Q N 1.908 121.709 119.800 0.000 0.000 2.307 217 Q HA 0.306 4.625 4.340 -0.035 0.000 0.259 217 Q C -0.373 175.627 176.000 0.000 0.000 0.998 217 Q CA 0.003 55.806 55.803 -0.000 0.000 0.923 217 Q CB 0.962 29.700 28.738 -0.001 0.000 1.196 217 Q HN 0.413 nan 8.270 nan 0.000 0.416 218 K N 3.128 123.528 120.400 -0.000 0.000 2.087 218 K HA 0.422 4.721 4.320 -0.035 0.000 0.255 218 K C -2.030 174.571 176.600 0.001 0.000 0.988 218 K CA -1.686 54.601 56.287 0.001 0.000 0.915 218 K CB 0.333 32.833 32.500 -0.000 0.000 1.043 218 K HN 0.430 nan 8.250 nan 0.000 0.457 219 P HA 0.224 nan 4.420 nan 0.000 0.274 219 P C -0.662 176.641 177.300 0.005 0.000 1.231 219 P CA -0.060 63.042 63.100 0.004 0.000 0.790 219 P CB 0.580 32.283 31.700 0.006 0.000 0.951 220 I N 0.941 121.515 120.570 0.006 0.000 2.382 220 I HA 0.150 4.299 4.170 -0.035 0.000 0.285 220 I C 0.372 176.496 176.117 0.012 0.000 1.007 220 I CA -0.526 60.779 61.300 0.008 0.000 1.142 220 I CB 1.579 39.584 38.000 0.008 0.000 1.289 220 I HN 0.263 nan 8.210 nan 0.000 0.453 221 S N 7.739 123.447 115.700 0.013 0.000 2.422 221 S HA 0.594 5.043 4.470 -0.035 0.000 0.298 221 S C -0.485 174.128 174.600 0.022 0.000 1.118 221 S CA -0.450 57.759 58.200 0.016 0.000 1.083 221 S CB 0.253 63.462 63.200 0.015 0.000 0.971 221 S HN 0.444 nan 8.310 nan 0.000 0.478 222 I N 5.444 126.030 120.570 0.026 0.000 2.354 222 I HA 0.356 4.505 4.170 -0.035 0.000 0.286 222 I C 0.165 176.304 176.117 0.037 0.000 1.007 222 I CA -0.387 60.935 61.300 0.037 0.000 1.167 222 I CB 1.708 39.736 38.000 0.046 0.000 1.320 222 I HN 0.664 nan 8.210 nan 0.000 0.458 223 T N 1.955 116.533 114.554 0.039 0.000 2.906 223 T HA 0.516 4.845 4.350 -0.035 0.000 0.295 223 T C -0.753 173.973 174.700 0.043 0.000 1.075 223 T CA -0.948 61.174 62.100 0.037 0.000 1.005 223 T CB 2.166 71.051 68.868 0.027 0.000 1.136 223 T HN 0.484 nan 8.240 nan 0.000 0.498 224 Q N 1.624 121.447 119.800 0.039 0.000 2.464 224 Q HA 0.272 4.591 4.340 -0.035 0.000 0.256 224 Q C -1.904 174.110 176.000 0.023 0.000 1.020 224 Q CA -2.097 53.728 55.803 0.038 0.000 0.716 224 Q CB 2.044 30.808 28.738 0.045 0.000 1.230 224 Q HN 0.558 nan 8.270 nan 0.000 0.494 225 P HA -0.166 nan 4.420 nan 0.000 0.220 225 P C 0.139 177.445 177.300 0.009 0.000 1.148 225 P CA 1.216 64.325 63.100 0.014 0.000 0.803 225 P CB 0.486 32.195 31.700 0.015 0.000 0.782 226 E N -0.431 119.774 120.200 0.008 0.000 2.465 226 E HA 0.361 4.690 4.350 -0.035 0.000 0.195 226 E C 0.839 177.432 176.600 -0.011 0.000 1.028 226 E CA -0.019 56.382 56.400 0.001 0.000 0.899 226 E CB 0.165 29.867 29.700 0.005 0.000 1.032 226 E HN 0.203 nan 8.360 nan 0.000 0.468 227 G N 2.790 111.582 108.800 -0.014 0.000 2.760 227 G HA2 -0.200 3.739 3.960 -0.035 0.000 0.246 227 G HA3 -0.200 3.739 3.960 -0.035 0.000 0.246 227 G C -2.749 172.117 174.900 -0.056 0.000 1.359 227 G CA -0.892 44.182 45.100 -0.043 0.000 0.861 227 G HN 0.030 nan 8.290 nan 0.000 0.541 228 P HA 0.439 nan 4.420 nan 0.000 0.279 228 P C 0.495 177.715 177.300 -0.133 0.000 1.252 228 P CA -0.090 62.902 63.100 -0.181 0.000 0.811 228 P CB 1.433 32.772 31.700 -0.603 0.000 1.035 229 S N 0.066 115.822 115.700 0.094 0.000 2.593 229 S HA 0.120 4.569 4.470 -0.035 0.000 0.217 229 S C 0.653 175.440 174.600 0.313 0.000 0.966 229 S CA 0.062 58.375 58.200 0.187 0.000 0.914 229 S CB -0.897 62.462 63.200 0.265 0.000 0.776 229 S HN 0.567 nan 8.310 nan 0.000 0.523 230 F N 1.801 121.936 119.950 0.308 0.000 2.432 230 F HA 0.758 5.264 4.527 -0.035 0.000 0.329 230 F C 0.079 175.963 175.800 0.140 0.000 1.076 230 F CA -1.109 57.052 58.000 0.269 0.000 1.018 230 F CB 0.510 39.642 39.000 0.219 0.000 1.201 230 F HN -0.140 nan 8.300 nan 0.000 0.489 231 T N -0.034 114.681 114.554 0.269 0.000 2.856 231 T HA 0.722 5.051 4.350 -0.035 0.000 0.283 231 T C -1.058 173.793 174.700 0.250 0.000 1.008 231 T CA -0.823 61.370 62.100 0.156 0.000 0.997 231 T CB 1.486 70.426 68.868 0.119 0.000 0.992 231 T HN 0.661 nan 8.240 nan 0.000 0.454 232 V N 3.506 123.539 119.914 0.199 0.000 2.378 232 V HA 0.679 4.778 4.120 -0.035 0.000 0.288 232 V C 0.463 176.648 176.094 0.152 0.000 1.016 232 V CA -0.632 61.785 62.300 0.195 0.000 0.840 232 V CB 1.056 32.998 31.823 0.198 0.000 0.994 232 V HN 1.276 nan 8.190 nan 0.000 0.431 233 T N 0.222 114.883 114.554 0.178 0.000 2.916 233 T HA 0.676 5.005 4.350 -0.035 0.000 0.292 233 T C 0.816 175.603 174.700 0.146 0.000 1.055 233 T CA -0.113 62.073 62.100 0.145 0.000 1.009 233 T CB 1.750 70.699 68.868 0.135 0.000 1.118 233 T HN 1.659 nan 8.240 nan 0.000 0.497 234 G N -0.148 108.708 108.800 0.094 0.000 2.321 234 G HA2 0.108 4.047 3.960 -0.035 0.000 0.287 234 G HA3 0.108 4.047 3.960 -0.035 0.000 0.287 234 G C 1.337 176.292 174.900 0.091 0.000 1.018 234 G CA 0.984 46.131 45.100 0.080 0.000 0.855 234 G HN 2.374 nan 8.290 nan 0.000 0.507 235 G N -0.173 108.681 108.800 0.090 0.000 2.507 235 G HA2 -0.301 3.638 3.960 -0.035 0.000 0.240 235 G HA3 -0.301 3.638 3.960 -0.035 0.000 0.240 235 G C 0.925 175.882 174.900 0.096 0.000 1.119 235 G CA 1.333 46.483 45.100 0.084 0.000 0.664 235 G HN 2.249 nan 8.290 nan 0.000 0.516 236 N N -0.363 118.408 118.700 0.118 0.000 2.193 236 N HA 0.169 4.887 4.740 -0.035 0.000 0.236 236 N C -0.348 175.239 175.510 0.128 0.000 1.347 236 N CA 0.334 53.449 53.050 0.109 0.000 0.812 236 N CB -0.301 38.246 38.487 0.101 0.000 1.297 236 N HN 0.549 nan 8.380 nan 0.000 0.499 237 H N 1.262 120.374 119.070 0.070 0.000 2.604 237 H HA 0.487 5.021 4.556 -0.035 0.000 0.306 237 H C -0.585 174.795 175.328 0.087 0.000 1.075 237 H CA -0.307 55.782 56.048 0.068 0.000 1.357 237 H CB 0.549 30.352 29.762 0.068 0.000 1.426 237 H HN -0.005 nan 8.280 nan 0.000 0.470 238 I N 4.920 125.285 120.570 -0.342 0.000 2.377 238 I HA 0.241 4.390 4.170 -0.035 0.000 0.293 238 I C -0.108 175.910 176.117 -0.164 0.000 0.987 238 I CA -0.880 60.339 61.300 -0.136 0.000 1.185 238 I CB 1.425 39.351 38.000 -0.124 0.000 1.341 238 I HN 0.645 nan 8.210 nan 0.000 0.455 239 E N 5.404 125.653 120.200 0.082 0.000 2.191 239 E HA 0.324 4.653 4.350 -0.035 0.000 0.263 239 E C -1.610 175.178 176.600 0.314 0.000 0.881 239 E CA -0.465 56.026 56.400 0.152 0.000 0.757 239 E CB 2.780 32.569 29.700 0.149 0.000 1.147 239 E HN 0.624 nan 8.360 nan 0.000 0.414 240 W N 3.649 125.015 121.300 0.110 0.000 3.132 240 W HA 0.150 4.790 4.660 -0.035 0.000 0.337 240 W C -0.451 176.158 176.519 0.151 0.000 1.082 240 W CA -0.434 57.002 57.345 0.152 0.000 1.242 240 W CB 0.914 30.465 29.460 0.151 0.000 1.354 240 W HN 0.350 nan 8.180 nan 0.000 0.461 241 E N 6.148 126.038 120.200 -0.516 0.000 2.199 241 E HA -0.309 4.020 4.350 -0.035 0.000 0.208 241 E C 0.546 176.832 176.600 -0.523 0.000 1.310 241 E CA 1.738 57.720 56.400 -0.697 0.000 0.709 241 E CB -0.877 27.955 29.700 -1.446 0.000 1.127 241 E HN 0.798 nan 8.360 nan 0.000 0.354 242 K N -4.625 115.503 120.400 -0.453 0.000 3.578 242 K HA -0.240 4.059 4.320 -0.035 0.000 0.270 242 K C 0.307 176.449 176.600 -0.764 0.000 1.003 242 K CA 1.823 57.662 56.287 -0.746 0.000 1.128 242 K CB -1.743 29.926 32.500 -1.385 0.000 1.341 242 K HN 0.290 nan 8.250 nan 0.000 0.499 243 W N 2.659 123.754 121.300 -0.341 0.000 2.202 243 W HA 0.365 5.004 4.660 -0.035 0.000 0.332 243 W C 1.074 177.572 176.519 -0.034 0.000 1.263 243 W CA 0.332 57.629 57.345 -0.079 0.000 1.223 243 W CB 0.957 30.517 29.460 0.168 0.000 1.128 243 W HN 0.172 nan 8.180 nan 0.000 0.573 244 S N 3.699 119.545 115.700 0.243 0.000 2.540 244 S HA 0.891 5.340 4.470 -0.035 0.000 0.275 244 S C -1.092 173.522 174.600 0.024 0.000 1.123 244 S CA -0.966 57.275 58.200 0.069 0.000 0.907 244 S CB 1.141 64.394 63.200 0.088 0.000 1.081 244 S HN 0.740 nan 8.310 nan 0.000 0.476 245 L N -1.008 120.106 121.223 -0.181 0.000 2.892 245 L HA 0.782 5.100 4.340 -0.035 0.000 0.269 245 L C -2.139 174.619 176.870 -0.188 0.000 1.058 245 L CA -1.122 53.633 54.840 -0.141 0.000 0.923 245 L CB 1.503 43.486 42.059 -0.127 0.000 1.518 245 L HN 0.530 nan 8.230 nan 0.000 0.402 246 D N 1.188 121.545 120.400 -0.072 0.000 2.502 246 D HA 0.463 5.081 4.640 -0.035 0.000 0.249 246 D C -0.871 175.448 176.300 0.032 0.000 1.092 246 D CA -0.276 53.743 54.000 0.030 0.000 0.839 246 D CB 3.243 44.110 40.800 0.111 0.000 1.264 246 D HN 0.351 nan 8.370 nan 0.000 0.511 247 V N 2.141 122.071 119.914 0.028 0.000 2.353 247 V HA 0.441 4.540 4.120 -0.035 0.000 0.264 247 V C 1.033 177.193 176.094 0.110 0.000 1.049 247 V CA -0.425 61.884 62.300 0.015 0.000 0.896 247 V CB 0.946 32.757 31.823 -0.020 0.000 1.025 247 V HN 0.589 nan 8.190 nan 0.000 0.475 248 G N 3.138 112.036 108.800 0.163 0.000 2.522 248 G HA2 0.664 4.603 3.960 -0.035 0.000 0.304 248 G HA3 0.664 4.603 3.960 -0.035 0.000 0.304 248 G C -1.416 173.586 174.900 0.170 0.000 1.210 248 G CA -0.399 44.830 45.100 0.214 0.000 0.960 248 G HN 0.501 nan 8.290 nan 0.000 0.497 249 F N 0.178 120.115 119.950 -0.021 0.000 2.596 249 F HA 0.465 4.970 4.527 -0.036 0.000 0.311 249 F C -1.300 174.452 175.800 -0.081 0.000 1.116 249 F CA -0.975 56.964 58.000 -0.101 0.000 0.957 249 F CB 2.381 41.308 39.000 -0.122 0.000 1.250 249 F HN 0.472 nan 8.300 nan 0.000 0.444 250 D N 4.205 124.211 120.400 -0.656 0.000 2.819 250 D HA 0.282 4.901 4.640 -0.035 0.000 0.232 250 D C 0.738 176.699 176.300 -0.565 0.000 1.160 250 D CA -0.414 53.359 54.000 -0.379 0.000 0.858 250 D CB 2.615 43.325 40.800 -0.150 0.000 1.610 250 D HN 0.508 nan 8.370 nan 0.000 0.481 251 V N 2.581 122.343 119.914 -0.254 0.000 2.594 251 V HA -0.109 3.990 4.120 -0.035 0.000 0.253 251 V C 2.313 178.335 176.094 -0.119 0.000 1.069 251 V CA 1.437 63.628 62.300 -0.182 0.000 1.082 251 V CB -0.624 31.142 31.823 -0.096 0.000 0.680 251 V HN 0.539 nan 8.190 nan 0.000 0.469 252 R N 0.567 121.059 120.500 -0.013 0.000 2.051 252 R HA -0.047 4.272 4.340 -0.035 0.000 0.225 252 R C 2.441 178.679 176.300 -0.103 0.000 1.155 252 R CA 1.795 57.870 56.100 -0.041 0.000 0.945 252 R CB -0.242 29.995 30.300 -0.105 0.000 0.840 252 R HN 0.612 nan 8.270 nan 0.000 0.432 253 E N -0.745 119.379 120.200 -0.128 0.000 2.230 253 E HA 0.106 4.435 4.350 -0.035 0.000 0.192 253 E C 0.771 177.201 176.600 -0.284 0.000 0.987 253 E CA 0.438 56.772 56.400 -0.111 0.000 0.841 253 E CB 0.421 30.102 29.700 -0.033 0.000 0.783 253 E HN 0.572 nan 8.360 nan 0.000 0.481 254 G N 0.622 109.025 108.800 -0.662 0.000 2.488 254 G HA2 -0.288 3.651 3.960 -0.035 0.000 0.237 254 G HA3 -0.288 3.651 3.960 -0.035 0.000 0.237 254 G C -0.159 174.120 174.900 -1.035 0.000 1.209 254 G CA -0.346 43.999 45.100 -1.257 0.000 0.929 254 G HN 0.108 nan 8.290 nan 0.000 0.578 255 V N 0.694 120.182 119.914 -0.709 0.000 2.585 255 V HA 0.429 4.527 4.120 -0.035 0.000 0.296 255 V C 0.775 176.822 176.094 -0.078 0.000 1.035 255 V CA 0.177 62.399 62.300 -0.129 0.000 1.084 255 V CB 0.986 32.928 31.823 0.198 0.000 0.953 255 V HN 0.889 nan 8.190 nan 0.000 0.483 256 V N 6.644 126.461 119.914 -0.163 0.000 2.656 256 V HA 0.482 4.581 4.120 -0.035 0.000 0.307 256 V C -0.260 175.567 176.094 -0.444 0.000 1.051 256 V CA -0.634 61.481 62.300 -0.309 0.000 0.893 256 V CB 1.991 33.642 31.823 -0.287 0.000 0.999 256 V HN 0.616 nan 8.190 nan 0.000 0.426 257 L N 4.945 125.776 121.223 -0.652 0.000 2.307 257 L HA 0.633 4.952 4.340 -0.035 0.000 0.284 257 L C -0.487 176.006 176.870 -0.630 0.000 1.023 257 L CA -0.580 53.900 54.840 -0.600 0.000 0.810 257 L CB 1.123 42.739 42.059 -0.737 0.000 1.231 257 L HN 0.606 nan 8.230 nan 0.000 0.423 258 H N 3.751 122.658 119.070 -0.271 0.000 2.569 258 H HA 0.296 4.831 4.556 -0.035 0.000 0.357 258 H C -0.208 174.919 175.328 -0.335 0.000 1.153 258 H CA -0.668 55.188 56.048 -0.320 0.000 1.193 258 H CB 1.957 31.474 29.762 -0.408 0.000 1.602 258 H HN 0.575 nan 8.280 nan 0.000 0.523 259 N N 1.283 119.852 118.700 -0.217 0.000 2.738 259 N HA -0.190 4.528 4.740 -0.035 0.000 0.249 259 N C -0.345 175.108 175.510 -0.095 0.000 1.047 259 N CA 0.439 53.372 53.050 -0.195 0.000 0.707 259 N CB -1.410 36.916 38.487 -0.269 0.000 0.937 259 N HN 0.569 nan 8.380 nan 0.000 0.545 260 I N 0.653 121.168 120.570 -0.091 0.000 2.505 260 I HA 0.236 4.385 4.170 -0.035 0.000 0.287 260 I C 1.022 177.197 176.117 0.096 0.000 1.104 260 I CA 0.296 61.605 61.300 0.015 0.000 1.387 260 I CB 0.438 38.420 38.000 -0.030 0.000 1.404 260 I HN 0.320 nan 8.210 nan 0.000 0.528 261 A N 6.944 129.885 122.820 0.201 0.000 2.569 261 A HA 0.814 5.113 4.320 -0.035 0.000 0.290 261 A C -1.607 176.111 177.584 0.225 0.000 1.136 261 A CA -0.448 51.695 52.037 0.176 0.000 0.710 261 A CB 1.654 20.711 19.000 0.096 0.000 1.303 261 A HN 0.505 nan 8.150 nan 0.000 0.413 262 F N 0.377 120.316 119.950 -0.018 0.000 2.557 262 F HA 0.555 5.061 4.527 -0.035 0.000 0.316 262 F C 0.304 176.101 175.800 -0.004 0.000 1.141 262 F CA -0.377 57.537 58.000 -0.143 0.000 0.922 262 F CB 1.844 40.693 39.000 -0.253 0.000 1.194 262 F HN 0.489 nan 8.300 nan 0.000 0.443 263 R N 4.087 124.502 120.500 -0.142 0.000 2.325 263 R HA 0.162 4.481 4.340 -0.035 0.000 0.323 263 R C -1.003 175.391 176.300 0.157 0.000 1.177 263 R CA -0.279 55.819 56.100 -0.002 0.000 1.018 263 R CB -0.601 29.641 30.300 -0.097 0.000 1.070 263 R HN 0.677 nan 8.270 nan 0.000 0.495 264 D N 3.308 123.900 120.400 0.321 0.000 2.441 264 D HA 0.365 4.984 4.640 -0.035 0.000 0.221 264 D C 1.315 177.712 176.300 0.161 0.000 1.156 264 D CA 1.276 55.486 54.000 0.349 0.000 0.896 264 D CB 0.672 41.690 40.800 0.362 0.000 1.028 264 D HN 0.739 nan 8.370 nan 0.000 0.509 265 G N 4.881 113.751 108.800 0.115 0.000 2.687 265 G HA2 -0.330 3.609 3.960 -0.035 0.000 0.303 265 G HA3 -0.330 3.609 3.960 -0.035 0.000 0.303 265 G C 0.732 175.655 174.900 0.038 0.000 1.209 265 G CA 0.430 45.565 45.100 0.059 0.000 0.968 265 G HN 0.555 nan 8.290 nan 0.000 0.549 266 D N 1.618 122.038 120.400 0.033 0.000 2.433 266 D HA 0.134 4.753 4.640 -0.035 0.000 0.211 266 D C 0.892 177.208 176.300 0.026 0.000 1.114 266 D CA 0.068 54.082 54.000 0.023 0.000 0.837 266 D CB 0.483 41.292 40.800 0.015 0.000 0.984 266 D HN 0.382 nan 8.370 nan 0.000 0.505 267 R N 1.264 121.786 120.500 0.036 0.000 2.294 267 R HA 0.355 4.674 4.340 -0.035 0.000 0.319 267 R C -0.409 175.924 176.300 0.056 0.000 0.984 267 R CA -0.895 55.225 56.100 0.033 0.000 0.861 267 R CB 1.905 32.215 30.300 0.016 0.000 1.104 267 R HN -0.086 nan 8.270 nan 0.000 0.451 268 L N 4.207 125.459 121.223 0.047 0.000 2.325 268 L HA 0.176 4.495 4.340 -0.035 0.000 0.284 268 L C -0.237 176.672 176.870 0.066 0.000 1.089 268 L CA 0.260 55.137 54.840 0.062 0.000 0.836 268 L CB 0.169 42.257 42.059 0.050 0.000 1.184 268 L HN 0.425 nan 8.230 nan 0.000 0.444 269 R N 6.457 127.028 120.500 0.118 0.000 2.215 269 R HA 0.419 4.737 4.340 -0.035 0.000 0.336 269 R C -2.323 174.062 176.300 0.141 0.000 0.996 269 R CA -1.812 54.362 56.100 0.123 0.000 0.847 269 R CB 0.771 31.174 30.300 0.171 0.000 1.127 269 R HN 0.456 nan 8.270 nan 0.000 0.465 270 P HA 0.057 nan 4.420 nan 0.000 0.269 270 P C -0.006 177.286 177.300 -0.015 0.000 1.209 270 P CA 0.240 63.322 63.100 -0.031 0.000 0.776 270 P CB 0.826 32.422 31.700 -0.172 0.000 0.876 271 I N 0.875 121.386 120.570 -0.098 0.000 3.746 271 I HA 0.231 4.380 4.170 -0.035 0.000 0.262 271 I C 0.508 176.484 176.117 -0.234 0.000 1.153 271 I CA 0.307 61.464 61.300 -0.239 0.000 1.395 271 I CB 0.274 38.036 38.000 -0.398 0.000 1.589 271 I HN 0.137 nan 8.210 nan 0.000 0.441 272 I N 1.147 121.607 120.570 -0.183 0.000 2.466 272 I HA 0.186 4.334 4.170 -0.035 0.000 0.289 272 I C 0.356 176.373 176.117 -0.166 0.000 1.026 272 I CA -0.262 60.935 61.300 -0.172 0.000 1.078 272 I CB 2.060 39.961 38.000 -0.165 0.000 1.249 272 I HN 0.024 nan 8.210 nan 0.000 0.429 273 N N 4.628 123.241 118.700 -0.146 0.000 2.207 273 N HA 0.016 4.735 4.740 -0.035 0.000 0.182 273 N C 0.393 175.836 175.510 -0.112 0.000 1.020 273 N CA 1.326 54.316 53.050 -0.100 0.000 0.858 273 N CB 0.401 38.918 38.487 0.051 0.000 0.991 273 N HN 0.549 nan 8.380 nan 0.000 0.427 274 R N -0.471 119.939 120.500 -0.151 0.000 2.522 274 R HA 0.596 4.915 4.340 -0.035 0.000 0.283 274 R C -2.031 174.094 176.300 -0.291 0.000 1.074 274 R CA -0.636 55.319 56.100 -0.241 0.000 0.925 274 R CB 1.465 31.678 30.300 -0.146 0.000 1.205 274 R HN 0.100 nan 8.270 nan 0.000 0.436 275 A N 2.507 125.073 122.820 -0.424 0.000 2.330 275 A HA 0.688 4.986 4.320 -0.035 0.000 0.313 275 A C -0.907 176.430 177.584 -0.412 0.000 1.124 275 A CA -0.451 51.325 52.037 -0.435 0.000 0.774 275 A CB 1.410 19.978 19.000 -0.719 0.000 1.198 275 A HN 0.791 nan 8.150 nan 0.000 0.465 276 S N 1.642 117.283 115.700 -0.099 0.000 2.638 276 S HA 0.713 5.161 4.470 -0.035 0.000 0.274 276 S C -0.959 173.781 174.600 0.234 0.000 1.157 276 S CA -0.735 57.509 58.200 0.073 0.000 0.826 276 S CB 0.996 64.173 63.200 -0.039 0.000 1.139 276 S HN 0.506 nan 8.310 nan 0.000 0.474 277 I N 2.227 122.962 120.570 0.275 0.000 2.281 277 I HA 0.390 4.538 4.170 -0.035 0.000 0.293 277 I C 1.222 177.453 176.117 0.190 0.000 1.085 277 I CA -0.459 60.986 61.300 0.241 0.000 1.257 277 I CB 0.210 38.452 38.000 0.402 0.000 1.430 277 I HN 0.976 nan 8.210 nan 0.000 0.489 278 A N 5.142 128.045 122.820 0.139 0.000 2.178 278 A HA 0.179 4.478 4.320 -0.035 0.000 0.211 278 A C 0.702 178.356 177.584 0.116 0.000 1.157 278 A CA 0.681 52.824 52.037 0.177 0.000 0.780 278 A CB 0.188 19.305 19.000 0.195 0.000 0.828 278 A HN 0.641 nan 8.150 nan 0.000 0.476 279 E N -1.283 118.915 120.200 -0.002 0.000 2.388 279 E HA 0.577 4.906 4.350 -0.035 0.000 0.281 279 E C -1.136 175.425 176.600 -0.064 0.000 1.046 279 E CA -0.386 55.964 56.400 -0.083 0.000 0.825 279 E CB 1.033 30.526 29.700 -0.344 0.000 1.243 279 E HN 0.422 nan 8.360 nan 0.000 0.438 280 M N 1.864 121.448 119.600 -0.026 0.000 2.322 280 M HA 0.706 5.165 4.480 -0.035 0.000 0.285 280 M C -1.769 174.441 176.300 -0.149 0.000 1.119 280 M CA -1.023 54.157 55.300 -0.201 0.000 0.953 280 M CB 2.035 34.320 32.600 -0.525 0.000 1.701 280 M HN 0.248 nan 8.290 nan 0.000 0.479 281 V N 3.257 123.029 119.914 -0.238 0.000 2.735 281 V HA 0.846 4.945 4.120 -0.035 0.000 0.310 281 V C -1.398 174.481 176.094 -0.357 0.000 1.061 281 V CA -0.544 61.508 62.300 -0.415 0.000 0.913 281 V CB 2.470 33.856 31.823 -0.729 0.000 1.005 281 V HN 0.821 nan 8.190 nan 0.000 0.428 282 V N 8.289 128.022 119.914 -0.302 0.000 2.289 282 V HA 0.444 4.543 4.120 -0.035 0.000 0.272 282 V C -2.462 173.416 176.094 -0.359 0.000 1.026 282 V CA -1.384 60.735 62.300 -0.302 0.000 0.807 282 V CB 1.214 32.968 31.823 -0.115 0.000 1.044 282 V HN 0.813 nan 8.190 nan 0.000 0.443 283 P HA 0.404 nan 4.420 nan 0.000 0.290 283 P C -1.329 175.720 177.300 -0.418 0.000 1.276 283 P CA -0.467 62.439 63.100 -0.325 0.000 0.808 283 P CB 1.077 32.620 31.700 -0.262 0.000 0.966 284 Y N 0.505 120.645 120.300 -0.267 0.000 2.342 284 Y HA 0.479 5.010 4.550 -0.033 0.000 0.334 284 Y C 1.732 177.544 175.900 -0.146 0.000 1.067 284 Y CA 0.241 58.214 58.100 -0.211 0.000 1.128 284 Y CB 1.453 39.701 38.460 -0.354 0.000 1.200 284 Y HN 0.485 nan 8.280 nan 0.000 0.464 285 G N 1.354 110.169 108.800 0.025 0.000 3.605 285 G HA2 -0.011 3.928 3.960 -0.035 0.000 0.277 285 G HA3 -0.011 3.928 3.960 -0.035 0.000 0.277 285 G C -0.629 174.285 174.900 0.024 0.000 1.093 285 G CA -0.183 44.937 45.100 0.033 0.000 0.821 285 G HN 0.511 nan 8.290 nan 0.000 0.532 286 D N 1.283 121.678 120.400 -0.008 0.000 2.313 286 D HA 0.248 4.866 4.640 -0.035 0.000 0.239 286 D C -1.239 175.015 176.300 -0.076 0.000 1.142 286 D CA -2.370 51.591 54.000 -0.065 0.000 0.847 286 D CB 2.202 42.952 40.800 -0.082 0.000 1.082 286 D HN 0.042 nan 8.370 nan 0.000 0.480 287 P HA -0.014 nan 4.420 nan 0.000 0.245 287 P C 0.321 177.596 177.300 -0.042 0.000 1.212 287 P CA -0.083 62.991 63.100 -0.044 0.000 0.774 287 P CB 0.096 31.784 31.700 -0.020 0.000 0.999 288 S N 1.732 117.399 115.700 -0.055 0.000 2.549 288 S HA 0.091 4.540 4.470 -0.035 0.000 0.286 288 S C -1.302 173.292 174.600 -0.010 0.000 1.314 288 S CA -0.875 57.307 58.200 -0.031 0.000 1.062 288 S CB 0.268 63.433 63.200 -0.058 0.000 0.865 288 S HN -0.077 nan 8.310 nan 0.000 0.498 289 P HA -0.086 nan 4.420 nan 0.000 0.223 289 P C 1.162 178.590 177.300 0.213 0.000 1.144 289 P CA 0.659 63.828 63.100 0.115 0.000 0.783 289 P CB 0.028 31.800 31.700 0.120 0.000 0.771 290 I N -1.100 119.558 120.570 0.145 0.000 2.394 290 I HA -0.111 4.037 4.170 -0.035 0.000 0.251 290 I C 1.876 178.123 176.117 0.215 0.000 1.136 290 I CA 1.563 62.992 61.300 0.214 0.000 1.425 290 I CB -0.829 37.210 38.000 0.065 0.000 1.079 290 I HN 0.036 nan 8.210 nan 0.000 0.425 291 R N -0.491 119.932 120.500 -0.128 0.000 2.521 291 R HA 0.089 4.408 4.340 -0.035 0.000 0.289 291 R C 2.019 177.840 176.300 -0.800 0.000 0.936 291 R CA 0.517 56.266 56.100 -0.586 0.000 1.089 291 R CB 0.321 30.382 30.300 -0.398 0.000 1.348 291 R HN 0.283 nan 8.270 nan 0.000 0.536 292 S N 0.832 116.274 115.700 -0.430 0.000 2.500 292 S HA -0.111 4.338 4.470 -0.035 0.000 0.239 292 S C 1.424 175.786 174.600 -0.397 0.000 0.989 292 S CA 0.401 58.412 58.200 -0.314 0.000 0.951 292 S CB -0.381 62.735 63.200 -0.141 0.000 0.759 292 S HN 0.595 nan 8.310 nan 0.000 0.523 293 W N 0.809 121.896 121.300 -0.354 0.000 3.256 293 W HA 0.356 4.992 4.660 -0.040 0.000 0.269 293 W C 0.566 177.041 176.519 -0.074 0.000 1.310 293 W CA -0.547 56.468 57.345 -0.551 0.000 1.673 293 W CB -0.697 28.388 29.460 -0.625 0.000 1.115 293 W HN 0.327 nan 8.180 nan 0.000 0.686 294 Q N 2.851 122.157 119.800 -0.824 0.000 2.344 294 Q HA 0.134 4.453 4.340 -0.035 0.000 0.253 294 Q C -0.798 174.879 176.000 -0.539 0.000 1.050 294 Q CA 0.449 55.678 55.803 -0.956 0.000 0.912 294 Q CB 0.124 28.004 28.738 -1.429 0.000 1.258 294 Q HN 0.016 nan 8.270 nan 0.000 0.443 295 N N 4.815 123.249 118.700 -0.444 0.000 2.549 295 N HA 0.150 4.869 4.740 -0.035 0.000 0.290 295 N C -1.794 173.595 175.510 -0.202 0.000 1.122 295 N CA -0.329 52.544 53.050 -0.296 0.000 0.885 295 N CB 1.200 39.665 38.487 -0.036 0.000 1.455 295 N HN 0.510 nan 8.380 nan 0.000 0.521 296 Y N 1.201 121.545 120.300 0.073 0.000 2.385 296 Y HA 0.376 4.904 4.550 -0.037 0.000 0.341 296 Y C 0.046 176.012 175.900 0.110 0.000 0.965 296 Y CA -0.910 57.314 58.100 0.206 0.000 1.180 296 Y CB 0.619 39.167 38.460 0.147 0.000 1.139 296 Y HN 0.371 nan 8.280 nan 0.000 0.502 297 F N 3.284 123.457 119.950 0.372 0.000 2.451 297 F HA 0.137 4.643 4.527 -0.036 0.000 0.356 297 F C 0.950 176.938 175.800 0.314 0.000 1.178 297 F CA -0.567 57.577 58.000 0.240 0.000 1.210 297 F CB 0.053 39.142 39.000 0.149 0.000 1.504 297 F HN 0.578 nan 8.300 nan 0.000 0.598 298 D N 0.604 121.221 120.400 0.362 0.000 2.149 298 D HA -0.149 4.470 4.640 -0.035 0.000 0.198 298 D C 2.101 178.598 176.300 0.327 0.000 0.990 298 D CA 1.625 55.835 54.000 0.349 0.000 0.839 298 D CB -0.063 40.866 40.800 0.215 0.000 0.948 298 D HN 0.370 nan 8.370 nan 0.000 0.460 299 T N -0.519 114.167 114.554 0.221 0.000 2.770 299 T HA 0.002 4.331 4.350 -0.035 0.000 0.258 299 T C 1.957 176.701 174.700 0.074 0.000 1.039 299 T CA 1.390 63.573 62.100 0.137 0.000 1.143 299 T CB -0.515 68.404 68.868 0.084 0.000 0.866 299 T HN 0.241 nan 8.240 nan 0.000 0.428 300 G N 0.713 109.558 108.800 0.075 0.000 2.430 300 G HA2 -0.052 3.887 3.960 -0.035 0.000 0.216 300 G HA3 -0.052 3.887 3.960 -0.035 0.000 0.216 300 G C 1.450 176.321 174.900 -0.048 0.000 1.146 300 G CA 0.328 45.377 45.100 -0.085 0.000 0.793 300 G HN 0.470 nan 8.290 nan 0.000 0.537 301 E N -0.986 119.263 120.200 0.083 0.000 2.102 301 E HA 0.075 4.404 4.350 -0.035 0.000 0.190 301 E C 1.794 178.320 176.600 -0.124 0.000 0.971 301 E CA 0.460 56.834 56.400 -0.043 0.000 0.821 301 E CB 0.047 29.735 29.700 -0.021 0.000 0.777 301 E HN 0.557 nan 8.360 nan 0.000 0.460 302 Y N -0.114 120.296 120.300 0.184 0.000 2.524 302 Y HA 0.273 4.802 4.550 -0.036 0.000 0.270 302 Y C 0.001 176.063 175.900 0.270 0.000 1.094 302 Y CA 0.019 58.267 58.100 0.246 0.000 1.276 302 Y CB 0.631 39.246 38.460 0.258 0.000 1.130 302 Y HN -0.151 nan 8.280 nan 0.000 0.536 303 L N 0.763 122.165 121.223 0.299 0.000 2.805 303 L HA -0.186 4.132 4.340 -0.035 0.000 0.688 303 L C 0.929 177.923 176.870 0.206 0.000 1.050 303 L CA -0.025 54.914 54.840 0.165 0.000 1.362 303 L CB -1.549 40.565 42.059 0.092 0.000 1.968 303 L HN 0.150 nan 8.230 nan 0.000 0.923 304 V N -0.652 119.377 119.914 0.192 0.000 2.626 304 V HA -0.059 4.040 4.120 -0.035 0.000 0.252 304 V C 2.151 178.348 176.094 0.172 0.000 1.067 304 V CA 2.043 64.495 62.300 0.252 0.000 1.081 304 V CB -0.345 31.601 31.823 0.204 0.000 0.686 304 V HN 0.829 nan 8.190 nan 0.000 0.468 305 G N 1.220 109.984 108.800 -0.061 0.000 2.422 305 G HA2 -0.288 3.651 3.960 -0.035 0.000 0.218 305 G HA3 -0.288 3.651 3.960 -0.035 0.000 0.218 305 G C 1.565 176.506 174.900 0.068 0.000 1.146 305 G CA 0.979 45.961 45.100 -0.196 0.000 0.769 305 G HN 0.802 nan 8.290 nan 0.000 0.547 306 Q N -0.995 118.761 119.800 -0.074 0.000 2.291 306 Q HA -0.053 4.265 4.340 -0.035 0.000 0.205 306 Q C 1.233 177.077 176.000 -0.260 0.000 0.970 306 Q CA 0.996 56.668 55.803 -0.219 0.000 0.876 306 Q CB -0.317 28.156 28.738 -0.442 0.000 0.935 306 Q HN 0.520 nan 8.270 nan 0.000 0.455 307 Y N 0.771 121.187 120.300 0.194 0.000 2.571 307 Y HA 0.482 5.012 4.550 -0.034 0.000 0.275 307 Y C 0.604 176.649 175.900 0.242 0.000 1.179 307 Y CA -0.739 57.478 58.100 0.196 0.000 1.242 307 Y CB 0.008 38.581 38.460 0.189 0.000 1.126 307 Y HN 0.164 nan 8.280 nan 0.000 0.524 308 A N 0.988 124.036 122.820 0.381 0.000 2.546 308 A HA 0.038 4.336 4.320 -0.035 0.000 0.243 308 A C 0.334 178.101 177.584 0.305 0.000 1.063 308 A CA -0.233 52.062 52.037 0.431 0.000 0.757 308 A CB -0.325 18.940 19.000 0.442 0.000 0.991 308 A HN 0.595 nan 8.150 nan 0.000 0.503 309 N N 1.161 120.046 118.700 0.309 0.000 2.482 309 N HA 0.211 4.930 4.740 -0.035 0.000 0.260 309 N C -0.304 175.293 175.510 0.146 0.000 1.236 309 N CA -0.192 52.982 53.050 0.207 0.000 0.938 309 N CB 0.524 39.124 38.487 0.189 0.000 1.128 309 N HN 0.566 nan 8.380 nan 0.000 0.448 310 S N 1.699 117.446 115.700 0.080 0.000 2.430 310 S HA 0.157 4.606 4.470 -0.035 0.000 0.282 310 S C 0.058 174.664 174.600 0.009 0.000 1.186 310 S CA -0.463 57.748 58.200 0.019 0.000 1.060 310 S CB -0.157 63.036 63.200 -0.013 0.000 0.966 310 S HN 0.284 nan 8.310 nan 0.000 0.501 311 L N 3.774 125.005 121.223 0.013 0.000 2.265 311 L HA 0.289 4.608 4.340 -0.035 0.000 0.288 311 L C 0.707 177.564 176.870 -0.021 0.000 1.058 311 L CA -0.675 54.195 54.840 0.050 0.000 0.809 311 L CB 0.533 42.705 42.059 0.188 0.000 1.179 311 L HN 0.564 nan 8.230 nan 0.000 0.429 312 E N 2.928 123.125 120.200 -0.004 0.000 2.313 312 E HA 0.387 4.716 4.350 -0.035 0.000 0.272 312 E C -0.438 176.197 176.600 0.059 0.000 1.038 312 E CA -1.028 55.361 56.400 -0.017 0.000 0.863 312 E CB 2.103 31.792 29.700 -0.018 0.000 1.060 312 E HN 0.447 nan 8.360 nan 0.000 0.402 313 L N 2.111 123.376 121.223 0.069 0.000 2.416 313 L HA 0.511 4.830 4.340 -0.035 0.000 0.272 313 L C 1.513 178.421 176.870 0.065 0.000 1.161 313 L CA 1.866 56.783 54.840 0.128 0.000 0.845 313 L CB 0.304 42.443 42.059 0.133 0.000 1.119 313 L HN 1.045 nan 8.230 nan 0.000 0.464 314 G N 2.135 110.967 108.800 0.053 0.000 2.175 314 G HA2 -0.337 3.602 3.960 -0.035 0.000 0.244 314 G HA3 -0.337 3.602 3.960 -0.035 0.000 0.244 314 G C 0.683 175.593 174.900 0.017 0.000 0.982 314 G CA 0.690 45.806 45.100 0.027 0.000 0.641 314 G HN 1.353 nan 8.290 nan 0.000 0.527 315 C N -3.558 115.752 119.300 0.018 0.000 3.774 315 C HA 0.453 4.892 4.460 -0.035 0.000 0.575 315 C C 1.569 176.559 174.990 -0.000 0.000 1.308 315 C CA 1.261 60.280 59.018 0.003 0.000 2.576 315 C CB -0.031 27.704 27.740 -0.008 0.000 3.741 315 C HN 0.137 nan 8.230 nan 0.000 0.502 316 D N 0.890 121.299 120.400 0.015 0.000 2.183 316 D HA 0.131 4.750 4.640 -0.035 0.000 0.205 316 D C 0.144 176.492 176.300 0.079 0.000 0.962 316 D CA 1.307 55.322 54.000 0.024 0.000 0.849 316 D CB 0.320 41.141 40.800 0.034 0.000 0.978 316 D HN 0.532 nan 8.370 nan 0.000 0.488 317 c N 1.603 120.243 118.600 0.066 0.000 2.442 317 c HA 0.428 4.977 4.570 -0.035 0.000 0.335 317 c C -0.506 173.534 174.090 -0.085 0.000 1.134 317 c CA -1.109 55.207 56.329 -0.022 0.000 1.344 317 c CB 0.830 43.330 42.510 -0.016 0.000 1.956 317 c HN 0.132 nan 8.230 nan 0.000 0.438 318 L N 4.001 125.145 121.223 -0.132 0.000 2.325 318 L HA 0.957 5.276 4.340 -0.035 0.000 0.279 318 L C 0.595 177.381 176.870 -0.140 0.000 1.054 318 L CA 1.850 56.638 54.840 -0.086 0.000 0.804 318 L CB 0.984 43.028 42.059 -0.024 0.000 1.200 318 L HN 1.089 nan 8.230 nan 0.000 0.436 319 G N 3.384 112.148 108.800 -0.059 0.000 2.428 319 G HA2 -0.144 3.795 3.960 -0.035 0.000 0.202 319 G HA3 -0.144 3.795 3.960 -0.035 0.000 0.202 319 G C -1.079 173.813 174.900 -0.012 0.000 1.247 319 G CA -0.234 44.856 45.100 -0.018 0.000 1.020 319 G HN 0.718 nan 8.290 nan 0.000 0.529 320 D N 1.436 121.853 120.400 0.030 0.000 2.411 320 D HA 0.446 5.064 4.640 -0.035 0.000 0.225 320 D C 0.248 176.575 176.300 0.046 0.000 1.156 320 D CA -0.194 53.828 54.000 0.036 0.000 0.874 320 D CB 0.080 40.907 40.800 0.046 0.000 1.034 320 D HN 0.387 nan 8.370 nan 0.000 0.502 321 I N 2.638 123.186 120.570 -0.037 0.000 2.412 321 I HA 0.225 4.373 4.170 -0.035 0.000 0.296 321 I C 0.573 176.600 176.117 -0.151 0.000 0.987 321 I CA -0.534 60.668 61.300 -0.162 0.000 1.180 321 I CB 1.581 39.284 38.000 -0.495 0.000 1.340 321 I HN 0.114 nan 8.210 nan 0.000 0.455 322 T N 6.156 120.681 114.554 -0.048 0.000 2.770 322 T HA 0.518 4.847 4.350 -0.035 0.000 0.283 322 T C -0.619 174.024 174.700 -0.095 0.000 0.988 322 T CA -0.306 61.818 62.100 0.040 0.000 0.957 322 T CB 0.561 69.606 68.868 0.297 0.000 0.930 322 T HN 0.162 nan 8.240 nan 0.000 0.443 323 Y N 2.030 122.388 120.300 0.096 0.000 2.361 323 Y HA 0.579 5.108 4.550 -0.035 0.000 0.332 323 Y C 0.244 176.168 175.900 0.039 0.000 1.101 323 Y CA -1.189 56.946 58.100 0.059 0.000 1.137 323 Y CB 1.008 39.491 38.460 0.038 0.000 1.207 323 Y HN 0.403 nan 8.280 nan 0.000 0.463 324 L N 1.916 123.245 121.223 0.178 0.000 2.331 324 L HA 0.539 4.858 4.340 -0.035 0.000 0.275 324 L C -0.300 176.585 176.870 0.025 0.000 1.022 324 L CA -0.643 54.244 54.840 0.078 0.000 0.812 324 L CB 1.588 43.664 42.059 0.029 0.000 1.257 324 L HN 0.541 nan 8.230 nan 0.000 0.435 325 S N 2.864 118.550 115.700 -0.024 0.000 2.516 325 S HA 0.348 4.797 4.470 -0.035 0.000 0.268 325 S C -2.363 172.156 174.600 -0.136 0.000 1.251 325 S CA -1.072 57.078 58.200 -0.083 0.000 1.153 325 S CB 0.725 63.896 63.200 -0.050 0.000 1.009 325 S HN 0.376 nan 8.310 nan 0.000 0.479 326 P HA 0.274 nan 4.420 nan 0.000 0.274 326 P C -0.715 176.466 177.300 -0.197 0.000 1.231 326 P CA -0.378 62.541 63.100 -0.302 0.000 0.790 326 P CB 0.741 31.977 31.700 -0.774 0.000 0.951 327 V N 3.710 123.575 119.914 -0.083 0.000 2.483 327 V HA 0.466 4.564 4.120 -0.035 0.000 0.295 327 V C 0.749 176.849 176.094 0.011 0.000 1.035 327 V CA -0.545 61.735 62.300 -0.034 0.000 0.896 327 V CB 1.115 32.931 31.823 -0.011 0.000 0.986 327 V HN 0.503 nan 8.190 nan 0.000 0.447 328 I N 0.680 121.253 120.570 0.005 0.000 3.294 328 I HA 0.772 4.921 4.170 -0.035 0.000 0.311 328 I C -0.175 175.929 176.117 -0.020 0.000 1.111 328 I CA -0.705 60.602 61.300 0.013 0.000 0.976 328 I CB 2.280 40.297 38.000 0.029 0.000 1.260 328 I HN 0.491 nan 8.210 nan 0.000 0.474 329 S N 1.154 116.826 115.700 -0.047 0.000 2.508 329 S HA 0.316 4.765 4.470 -0.035 0.000 0.284 329 S C -0.542 174.029 174.600 -0.048 0.000 1.192 329 S CA -0.608 57.561 58.200 -0.053 0.000 1.070 329 S CB 0.509 63.661 63.200 -0.079 0.000 1.004 329 S HN 0.784 nan 8.310 nan 0.000 0.493 330 D N 3.196 123.583 120.400 -0.022 0.000 2.398 330 D HA 0.314 4.933 4.640 -0.035 0.000 0.264 330 D C 1.246 177.489 176.300 -0.094 0.000 1.263 330 D CA -0.063 53.919 54.000 -0.029 0.000 1.037 330 D CB -0.004 40.819 40.800 0.039 0.000 1.101 330 D HN 0.434 nan 8.370 nan 0.000 0.551 331 A N -1.178 121.509 122.820 -0.221 0.000 2.121 331 A HA -0.017 4.282 4.320 -0.035 0.000 0.218 331 A C 1.509 178.777 177.584 -0.526 0.000 1.154 331 A CA 0.719 52.503 52.037 -0.422 0.000 0.679 331 A CB -0.848 17.771 19.000 -0.634 0.000 0.795 331 A HN 0.457 nan 8.150 nan 0.000 0.458 332 F N -1.536 118.424 119.950 0.017 0.000 2.678 332 F HA 0.404 4.909 4.527 -0.036 0.000 0.305 332 F C 1.705 177.502 175.800 -0.004 0.000 1.090 332 F CA 0.169 58.175 58.000 0.011 0.000 1.272 332 F CB 0.193 39.199 39.000 0.010 0.000 1.060 332 F HN 0.288 nan 8.300 nan 0.000 0.576 333 G N 0.424 109.278 108.800 0.091 0.000 2.141 333 G HA2 -0.258 3.681 3.960 -0.035 0.000 0.242 333 G HA3 -0.258 3.681 3.960 -0.035 0.000 0.242 333 G C -0.024 174.891 174.900 0.026 0.000 0.982 333 G CA -0.423 44.697 45.100 0.033 0.000 0.662 333 G HN 0.278 nan 8.290 nan 0.000 0.527 334 N N 1.817 120.555 118.700 0.063 0.000 2.529 334 N HA 0.420 5.139 4.740 -0.035 0.000 0.278 334 N C -2.532 172.984 175.510 0.010 0.000 1.146 334 N CA -1.020 52.053 53.050 0.037 0.000 0.980 334 N CB 1.633 40.159 38.487 0.065 0.000 1.124 334 N HN 0.205 nan 8.380 nan 0.000 0.458 335 P HA 0.210 nan 4.420 nan 0.000 0.280 335 P C -0.636 176.661 177.300 -0.005 0.000 1.244 335 P CA -0.131 62.959 63.100 -0.017 0.000 0.784 335 P CB 1.259 32.943 31.700 -0.027 0.000 0.913 336 R N 2.045 122.541 120.500 -0.007 0.000 2.532 336 R HA 0.266 4.585 4.340 -0.035 0.000 0.297 336 R C -0.459 175.830 176.300 -0.019 0.000 0.984 336 R CA -0.637 55.460 56.100 -0.005 0.000 0.884 336 R CB 1.598 31.900 30.300 0.005 0.000 1.182 336 R HN 0.493 nan 8.270 nan 0.000 0.442 337 E N 4.821 125.007 120.200 -0.024 0.000 2.313 337 E HA 0.151 4.480 4.350 -0.035 0.000 0.276 337 E C -0.499 176.069 176.600 -0.053 0.000 1.031 337 E CA -0.408 55.965 56.400 -0.044 0.000 0.857 337 E CB 0.846 30.523 29.700 -0.037 0.000 1.040 337 E HN 0.514 nan 8.360 nan 0.000 0.408 338 I N 5.455 125.968 120.570 -0.095 0.000 2.276 338 I HA 0.189 4.338 4.170 -0.035 0.000 0.290 338 I C 0.577 176.635 176.117 -0.099 0.000 1.109 338 I CA -0.352 60.891 61.300 -0.095 0.000 1.229 338 I CB 0.348 38.251 38.000 -0.161 0.000 1.452 338 I HN 0.361 nan 8.210 nan 0.000 0.497 339 R N 6.289 126.748 120.500 -0.069 0.000 2.522 339 R HA 0.015 4.333 4.340 -0.035 0.000 0.284 339 R C 0.374 176.608 176.300 -0.110 0.000 1.032 339 R CA 0.158 56.209 56.100 -0.082 0.000 1.049 339 R CB 0.235 30.490 30.300 -0.075 0.000 0.956 339 R HN 0.583 nan 8.270 nan 0.000 0.422 340 N N 2.427 121.047 118.700 -0.132 0.000 2.727 340 N HA -0.181 4.538 4.740 -0.035 0.000 0.249 340 N C 0.548 176.052 175.510 -0.010 0.000 1.048 340 N CA 1.144 54.081 53.050 -0.189 0.000 0.714 340 N CB -1.186 36.921 38.487 -0.633 0.000 0.959 340 N HN 0.902 nan 8.380 nan 0.000 0.544 341 G N -1.019 107.775 108.800 -0.010 0.000 2.572 341 G HA2 0.209 4.147 3.960 -0.035 0.000 0.216 341 G HA3 0.209 4.147 3.960 -0.035 0.000 0.216 341 G C 0.530 175.492 174.900 0.104 0.000 1.133 341 G CA 0.274 45.379 45.100 0.008 0.000 0.791 341 G HN 0.454 nan 8.290 nan 0.000 0.538 342 I N 0.323 120.967 120.570 0.123 0.000 2.466 342 I HA 0.301 4.450 4.170 -0.035 0.000 0.289 342 I C -0.781 175.455 176.117 0.199 0.000 1.026 342 I CA -0.920 60.476 61.300 0.160 0.000 1.078 342 I CB 2.441 40.483 38.000 0.070 0.000 1.249 342 I HN -0.204 nan 8.210 nan 0.000 0.429 343 c N 7.013 125.707 118.600 0.155 0.000 2.350 343 c HA 0.653 5.202 4.570 -0.035 0.000 0.348 343 c C 0.113 174.202 174.090 -0.003 0.000 1.260 343 c CA -0.493 55.850 56.329 0.023 0.000 1.966 343 c CB 0.424 42.982 42.510 0.080 0.000 2.380 343 c HN 0.654 nan 8.230 nan 0.000 0.535 344 M N 5.958 125.511 119.600 -0.077 0.000 2.204 344 M HA 0.473 4.932 4.480 -0.035 0.000 0.293 344 M C -0.606 175.644 176.300 -0.084 0.000 0.994 344 M CA -0.136 55.048 55.300 -0.193 0.000 0.925 344 M CB 1.635 34.048 32.600 -0.312 0.000 1.577 344 M HN 0.918 nan 8.290 nan 0.000 0.439 345 H N 1.065 119.940 119.070 -0.325 0.000 3.014 345 H HA 0.531 5.065 4.556 -0.035 0.000 0.337 345 H C -1.949 173.249 175.328 -0.218 0.000 1.320 345 H CA -1.051 54.931 56.048 -0.110 0.000 1.128 345 H CB 1.153 30.910 29.762 -0.008 0.000 1.862 345 H HN 0.736 nan 8.280 nan 0.000 0.536 346 E N 1.135 121.327 120.200 -0.014 0.000 2.191 346 E HA 0.504 4.833 4.350 -0.035 0.000 0.274 346 E C -0.867 175.753 176.600 0.033 0.000 0.948 346 E CA -0.932 55.379 56.400 -0.148 0.000 0.802 346 E CB 2.469 32.220 29.700 0.085 0.000 1.137 346 E HN 0.725 nan 8.360 nan 0.000 0.397 347 E N 1.872 122.064 120.200 -0.014 0.000 2.367 347 E HA 0.264 4.593 4.350 -0.035 0.000 0.273 347 E C -1.345 175.372 176.600 0.195 0.000 0.903 347 E CA -1.087 55.389 56.400 0.126 0.000 0.764 347 E CB 1.490 31.275 29.700 0.140 0.000 1.252 347 E HN 0.532 nan 8.360 nan 0.000 0.446 348 D N 1.144 121.676 120.400 0.219 0.000 2.443 348 D HA -0.068 4.551 4.640 -0.035 0.000 0.239 348 D C -0.929 175.593 176.300 0.370 0.000 1.136 348 D CA 0.150 54.292 54.000 0.237 0.000 0.879 348 D CB 0.526 41.412 40.800 0.144 0.000 1.195 348 D HN 0.510 nan 8.370 nan 0.000 0.443 349 W N 5.837 127.179 121.300 0.071 0.000 1.340 349 W HA 0.369 5.008 4.660 -0.036 0.000 0.301 349 W C 0.297 176.847 176.519 0.052 0.000 0.834 349 W CA 0.085 57.470 57.345 0.066 0.000 2.473 349 W CB 0.087 29.634 29.460 0.145 0.000 1.837 349 W HN 0.842 nan 8.180 nan 0.000 0.528 350 G N 1.908 110.658 108.800 -0.082 0.000 2.552 350 G HA2 -0.325 3.614 3.960 -0.035 0.000 0.265 350 G HA3 -0.325 3.614 3.960 -0.035 0.000 0.265 350 G C -0.463 174.418 174.900 -0.033 0.000 1.234 350 G CA -0.160 44.858 45.100 -0.136 0.000 0.944 350 G HN 0.050 nan 8.290 nan 0.000 0.568 351 I N 1.362 121.901 120.570 -0.051 0.000 2.496 351 I HA 0.223 4.372 4.170 -0.035 0.000 0.285 351 I C 1.589 177.726 176.117 0.034 0.000 1.080 351 I CA -0.175 61.120 61.300 -0.009 0.000 1.404 351 I CB 0.878 38.864 38.000 -0.023 0.000 1.403 351 I HN 0.611 nan 8.210 nan 0.000 0.539 352 L N 6.605 127.866 121.223 0.062 0.000 2.145 352 L HA 0.422 4.741 4.340 -0.035 0.000 0.201 352 L C 0.631 177.552 176.870 0.084 0.000 1.075 352 L CA 1.065 55.962 54.840 0.094 0.000 0.773 352 L CB 0.068 42.193 42.059 0.109 0.000 0.936 352 L HN 0.721 nan 8.230 nan 0.000 0.451 353 A N -0.609 122.266 122.820 0.092 0.000 2.577 353 A HA 0.632 4.931 4.320 -0.035 0.000 0.297 353 A C -1.082 176.606 177.584 0.174 0.000 1.060 353 A CA -0.625 51.497 52.037 0.141 0.000 0.697 353 A CB 1.044 20.174 19.000 0.215 0.000 1.281 353 A HN 0.026 nan 8.150 nan 0.000 0.402 354 K N 0.964 121.478 120.400 0.191 0.000 2.543 354 K HA 0.593 4.892 4.320 -0.035 0.000 0.255 354 K C -2.146 174.607 176.600 0.254 0.000 0.934 354 K CA -0.522 55.888 56.287 0.205 0.000 0.810 354 K CB 1.775 34.330 32.500 0.091 0.000 1.315 354 K HN 1.068 nan 8.250 nan 0.000 0.433 355 H N 0.233 119.389 119.070 0.143 0.000 3.087 355 H HA 0.396 4.931 4.556 -0.035 0.000 0.348 355 H C -1.884 173.476 175.328 0.052 0.000 1.092 355 H CA -0.365 55.716 56.048 0.055 0.000 1.285 355 H CB 1.966 31.730 29.762 0.004 0.000 1.875 355 H HN 0.414 nan 8.280 nan 0.000 0.512 356 S N 3.994 119.375 115.700 -0.531 0.000 2.520 356 S HA 0.178 4.627 4.470 -0.035 0.000 0.324 356 S C -0.843 173.319 174.600 -0.729 0.000 1.069 356 S CA -0.660 57.276 58.200 -0.441 0.000 1.121 356 S CB 0.462 63.531 63.200 -0.218 0.000 0.971 356 S HN 0.650 nan 8.310 nan 0.000 0.463 357 D N 2.165 122.223 120.400 -0.570 0.000 2.274 357 D HA 0.313 4.932 4.640 -0.035 0.000 0.239 357 D C 0.970 177.156 176.300 -0.191 0.000 1.104 357 D CA -0.602 53.164 54.000 -0.389 0.000 0.840 357 D CB 0.901 41.658 40.800 -0.073 0.000 1.100 357 D HN 0.263 nan 8.370 nan 0.000 0.477 358 L N 5.411 126.492 121.223 -0.236 0.000 1.994 358 L HA -0.025 4.294 4.340 -0.035 0.000 0.208 358 L C 1.403 178.278 176.870 0.008 0.000 1.071 358 L CA 1.610 56.350 54.840 -0.167 0.000 0.745 358 L CB -0.426 41.457 42.059 -0.292 0.000 0.892 358 L HN 0.606 nan 8.230 nan 0.000 0.431 359 W N -0.148 121.155 121.300 0.005 0.000 2.381 359 W HA -0.083 4.556 4.660 -0.035 0.000 0.301 359 W C 3.021 179.542 176.519 0.005 0.000 1.205 359 W CA 1.527 58.877 57.345 0.008 0.000 1.285 359 W CB -1.706 27.765 29.460 0.017 0.000 1.133 359 W HN 0.541 nan 8.180 nan 0.000 0.521 360 S N -0.807 115.027 115.700 0.223 0.000 2.470 360 S HA 0.230 4.678 4.470 -0.035 0.000 0.225 360 S C 1.835 176.481 174.600 0.076 0.000 1.006 360 S CA 1.079 59.358 58.200 0.131 0.000 0.934 360 S CB -0.185 63.081 63.200 0.109 0.000 0.778 360 S HN 0.428 nan 8.310 nan 0.000 0.517 361 G N 0.994 109.825 108.800 0.052 0.000 2.184 361 G HA2 -0.240 3.699 3.960 -0.035 0.000 0.264 361 G HA3 -0.240 3.699 3.960 -0.035 0.000 0.264 361 G C 0.014 174.919 174.900 0.009 0.000 0.975 361 G CA 0.379 45.492 45.100 0.022 0.000 0.642 361 G HN 0.606 nan 8.290 nan 0.000 0.536 362 I N 1.552 122.129 120.570 0.011 0.000 2.325 362 I HA 0.290 4.438 4.170 -0.035 0.000 0.291 362 I C -0.444 175.675 176.117 0.004 0.000 1.019 362 I CA -0.816 60.499 61.300 0.025 0.000 1.302 362 I CB 1.000 39.029 38.000 0.048 0.000 1.401 362 I HN -0.020 nan 8.210 nan 0.000 0.485 363 N N 6.594 125.309 118.700 0.024 0.000 2.408 363 N HA 0.348 5.066 4.740 -0.035 0.000 0.280 363 N C -1.341 174.239 175.510 0.118 0.000 1.002 363 N CA -0.439 52.626 53.050 0.025 0.000 0.907 363 N CB 2.052 40.533 38.487 -0.010 0.000 1.161 363 N HN 0.476 nan 8.380 nan 0.000 0.488 364 Y N 0.700 120.988 120.300 -0.020 0.000 2.386 364 Y HA 0.428 4.957 4.550 -0.035 0.000 0.334 364 Y C -1.181 174.726 175.900 0.012 0.000 1.002 364 Y CA -0.331 57.773 58.100 0.008 0.000 1.068 364 Y CB 1.643 40.123 38.460 0.033 0.000 1.203 364 Y HN 0.354 nan 8.280 nan 0.000 0.443 365 T N 6.682 121.053 114.554 -0.305 0.000 2.952 365 T HA 0.597 4.926 4.350 -0.035 0.000 0.305 365 T C -1.264 173.203 174.700 -0.388 0.000 1.064 365 T CA -1.006 60.952 62.100 -0.237 0.000 1.008 365 T CB 1.316 70.121 68.868 -0.105 0.000 1.078 365 T HN 0.418 nan 8.240 nan 0.000 0.459 366 R N 1.768 122.112 120.500 -0.261 0.000 2.744 366 R HA 0.569 4.888 4.340 -0.035 0.000 0.279 366 R C -0.656 175.616 176.300 -0.046 0.000 0.977 366 R CA -1.010 54.984 56.100 -0.176 0.000 0.906 366 R CB 1.772 31.979 30.300 -0.154 0.000 1.197 366 R HN 0.445 nan 8.270 nan 0.000 0.463 367 R N 1.372 121.864 120.500 -0.012 0.000 2.404 367 R HA 0.332 4.651 4.340 -0.035 0.000 0.291 367 R C 0.223 176.584 176.300 0.102 0.000 1.025 367 R CA -0.883 55.242 56.100 0.041 0.000 0.991 367 R CB 0.757 31.085 30.300 0.046 0.000 1.053 367 R HN 0.447 nan 8.270 nan 0.000 0.479 368 N N 1.597 120.393 118.700 0.159 0.000 2.495 368 N HA 0.338 5.057 4.740 -0.035 0.000 0.280 368 N C -0.611 175.102 175.510 0.339 0.000 1.168 368 N CA -0.398 52.815 53.050 0.271 0.000 0.978 368 N CB 1.071 39.764 38.487 0.345 0.000 1.191 368 N HN 0.549 nan 8.380 nan 0.000 0.497 369 R N -0.586 120.162 120.500 0.413 0.000 2.752 369 R HA 0.636 4.955 4.340 -0.035 0.000 0.271 369 R C -1.042 175.498 176.300 0.400 0.000 1.026 369 R CA -1.070 55.283 56.100 0.421 0.000 0.901 369 R CB 1.427 31.973 30.300 0.410 0.000 1.243 369 R HN 0.649 nan 8.270 nan 0.000 0.463 370 R N 0.691 121.225 120.500 0.057 0.000 2.698 370 R HA 0.525 4.844 4.340 -0.035 0.000 0.275 370 R C -1.330 174.488 176.300 -0.803 0.000 1.001 370 R CA -1.096 54.729 56.100 -0.459 0.000 0.896 370 R CB 1.813 31.458 30.300 -1.092 0.000 1.218 370 R HN 0.577 nan 8.270 nan 0.000 0.462 371 M N 2.718 121.519 119.600 -1.333 0.000 2.188 371 M HA 0.340 4.799 4.480 -0.035 0.000 0.357 371 M C -1.526 174.282 176.300 -0.820 0.000 1.204 371 M CA -0.422 54.062 55.300 -1.361 0.000 1.095 371 M CB 1.657 33.260 32.600 -1.662 0.000 1.604 371 M HN 0.517 nan 8.290 nan 0.000 0.464 372 V N 7.182 126.666 119.914 -0.718 0.000 2.487 372 V HA 0.550 4.649 4.120 -0.035 0.000 0.298 372 V C -0.551 175.312 176.094 -0.385 0.000 1.028 372 V CA -0.581 61.442 62.300 -0.462 0.000 0.860 372 V CB 1.552 33.076 31.823 -0.498 0.000 0.991 372 V HN 0.789 nan 8.190 nan 0.000 0.427 373 I N 4.695 125.121 120.570 -0.240 0.000 2.439 373 I HA 0.608 4.757 4.170 -0.035 0.000 0.283 373 I C -0.038 176.069 176.117 -0.017 0.000 1.023 373 I CA -0.016 61.208 61.300 -0.126 0.000 1.100 373 I CB 1.902 39.826 38.000 -0.126 0.000 1.238 373 I HN 0.766 nan 8.210 nan 0.000 0.445 374 S N 5.714 121.414 115.700 0.001 0.000 2.627 374 S HA 0.871 5.319 4.470 -0.035 0.000 0.283 374 S C -0.839 173.844 174.600 0.139 0.000 1.127 374 S CA -0.705 57.437 58.200 -0.097 0.000 0.863 374 S CB 2.568 65.476 63.200 -0.486 0.000 1.121 374 S HN 0.505 nan 8.310 nan 0.000 0.479 375 F N -1.074 118.822 119.950 -0.091 0.000 2.662 375 F HA 0.900 5.405 4.527 -0.035 0.000 0.312 375 F C -2.130 173.712 175.800 0.070 0.000 1.113 375 F CA -1.769 56.267 58.000 0.059 0.000 0.951 375 F CB 1.034 40.122 39.000 0.146 0.000 1.344 375 F HN 0.588 nan 8.300 nan 0.000 0.462 376 F N 1.041 120.991 119.950 -0.001 0.000 2.547 376 F HA 0.645 5.150 4.527 -0.036 0.000 0.316 376 F C -0.250 175.639 175.800 0.148 0.000 1.121 376 F CA -0.393 57.594 58.000 -0.022 0.000 0.911 376 F CB 2.167 41.199 39.000 0.052 0.000 1.179 376 F HN 0.861 nan 8.300 nan 0.000 0.443 377 T N 2.606 117.336 114.554 0.295 0.000 2.908 377 T HA 0.660 4.988 4.350 -0.035 0.000 0.290 377 T C -1.037 173.885 174.700 0.370 0.000 1.034 377 T CA -0.300 62.040 62.100 0.399 0.000 1.010 377 T CB 1.288 70.411 68.868 0.426 0.000 1.068 377 T HN 0.560 nan 8.240 nan 0.000 0.481 378 T N 4.694 119.432 114.554 0.308 0.000 2.809 378 T HA 0.549 4.878 4.350 -0.035 0.000 0.284 378 T C -0.676 174.061 174.700 0.061 0.000 0.992 378 T CA -0.575 61.622 62.100 0.162 0.000 0.957 378 T CB 0.517 69.458 68.868 0.122 0.000 0.942 378 T HN 0.428 nan 8.240 nan 0.000 0.439 379 I N 3.855 124.415 120.570 -0.017 0.000 2.502 379 I HA 0.370 4.519 4.170 -0.035 0.000 0.276 379 I C 1.282 177.265 176.117 -0.225 0.000 1.057 379 I CA 0.046 61.253 61.300 -0.155 0.000 1.163 379 I CB -0.029 37.970 38.000 -0.001 0.000 1.288 379 I HN 0.960 nan 8.210 nan 0.000 0.479 380 G N 7.165 115.832 108.800 -0.222 0.000 2.620 380 G HA2 -0.316 3.623 3.960 -0.035 0.000 0.315 380 G HA3 -0.316 3.623 3.960 -0.035 0.000 0.315 380 G C 0.433 175.243 174.900 -0.150 0.000 1.179 380 G CA 0.559 45.596 45.100 -0.106 0.000 0.971 380 G HN 0.663 nan 8.290 nan 0.000 0.544 384 Y N 0.269 120.602 120.300 0.055 0.000 2.391 384 Y HA 0.686 5.215 4.550 -0.035 0.000 0.341 384 Y C 0.749 176.086 175.900 -0.937 0.000 0.965 384 Y CA -1.075 56.881 58.100 -0.240 0.000 1.067 384 Y CB 2.500 41.010 38.460 0.083 0.000 1.199 384 Y HN 0.463 nan 8.280 nan 0.000 0.450 385 G N 2.283 110.354 108.800 -1.214 0.000 2.348 385 G HA2 0.565 4.504 3.960 -0.035 0.000 0.312 385 G HA3 0.565 4.504 3.960 -0.035 0.000 0.312 385 G C -1.631 172.953 174.900 -0.526 0.000 1.126 385 G CA -0.343 44.015 45.100 -1.237 0.000 0.865 385 G HN 0.334 nan 8.290 nan 0.000 0.474 386 F N 1.393 120.803 119.950 -0.898 0.000 2.427 386 F HA 0.457 4.962 4.527 -0.036 0.000 0.348 386 F C -0.760 174.602 175.800 -0.730 0.000 1.125 386 F CA -0.934 56.723 58.000 -0.573 0.000 0.989 386 F CB 1.801 40.603 39.000 -0.330 0.000 1.165 386 F HN 0.316 nan 8.300 nan 0.000 0.442 387 Y N 1.570 121.456 120.300 -0.690 0.000 2.350 387 Y HA 0.423 4.952 4.550 -0.036 0.000 0.338 387 Y C -0.983 174.247 175.900 -1.117 0.000 0.961 387 Y CA -1.407 56.222 58.100 -0.784 0.000 1.100 387 Y CB 1.305 39.210 38.460 -0.926 0.000 1.179 387 Y HN 0.508 nan 8.280 nan 0.000 0.454 388 W N 3.368 124.355 121.300 -0.522 0.000 2.520 388 W HA 0.612 5.251 4.660 -0.035 0.000 0.323 388 W C -1.373 174.729 176.519 -0.694 0.000 1.062 388 W CA -0.735 56.315 57.345 -0.491 0.000 1.215 388 W CB 1.100 30.433 29.460 -0.211 0.000 1.340 388 W HN 0.331 nan 8.180 nan 0.000 0.516 389 Y N 2.791 122.993 120.300 -0.164 0.000 2.425 389 Y HA 0.620 5.149 4.550 -0.036 0.000 0.344 389 Y C -0.335 175.248 175.900 -0.529 0.000 0.969 389 Y CA -1.493 56.310 58.100 -0.496 0.000 1.052 389 Y CB 1.110 39.154 38.460 -0.695 0.000 1.215 389 Y HN 0.053 nan 8.280 nan 0.000 0.451 390 L N 4.028 124.895 121.223 -0.593 0.000 2.333 390 L HA 0.553 4.872 4.340 -0.035 0.000 0.280 390 L C -1.194 175.445 176.870 -0.386 0.000 1.004 390 L CA -0.891 53.541 54.840 -0.680 0.000 0.820 390 L CB 1.269 42.583 42.059 -1.243 0.000 1.247 390 L HN 0.582 nan 8.230 nan 0.000 0.416 391 Y N 1.706 122.121 120.300 0.191 0.000 2.457 391 Y HA 0.323 4.852 4.550 -0.035 0.000 0.333 391 Y C 1.194 177.540 175.900 0.744 0.000 1.119 391 Y CA -0.750 57.595 58.100 0.408 0.000 1.143 391 Y CB 1.520 40.116 38.460 0.226 0.000 1.230 391 Y HN 0.446 nan 8.280 nan 0.000 0.469 392 L N 0.677 122.338 121.223 0.731 0.000 2.051 392 L HA -0.265 4.054 4.340 -0.035 0.000 0.214 392 L C 1.605 178.724 176.870 0.415 0.000 1.076 392 L CA 1.994 57.109 54.840 0.459 0.000 0.758 392 L CB -0.366 41.851 42.059 0.264 0.000 0.890 392 L HN 0.777 nan 8.230 nan 0.000 0.433 393 D N -0.810 119.811 120.400 0.369 0.000 2.363 393 D HA 0.021 4.639 4.640 -0.035 0.000 0.226 393 D C 1.408 177.822 176.300 0.189 0.000 1.020 393 D CA 0.851 54.962 54.000 0.184 0.000 0.892 393 D CB 0.194 41.070 40.800 0.127 0.000 0.900 393 D HN 0.364 nan 8.370 nan 0.000 0.531 394 G N -0.909 108.187 108.800 0.495 0.000 2.195 394 G HA2 -0.242 3.696 3.960 -0.035 0.000 0.224 394 G HA3 -0.242 3.696 3.960 -0.035 0.000 0.224 394 G C 0.409 175.794 174.900 0.808 0.000 0.990 394 G CA 0.140 45.590 45.100 0.583 0.000 0.639 394 G HN 0.451 nan 8.290 nan 0.000 0.514 395 T N 1.336 116.262 114.554 0.620 0.000 2.901 395 T HA 0.543 4.872 4.350 -0.035 0.000 0.301 395 T C 0.513 175.557 174.700 0.572 0.000 1.012 395 T CA 0.525 62.930 62.100 0.508 0.000 1.135 395 T CB 1.190 70.188 68.868 0.216 0.000 0.936 395 T HN 0.350 nan 8.240 nan 0.000 0.539 396 I N 2.561 123.396 120.570 0.443 0.000 2.433 396 I HA 0.481 4.630 4.170 -0.035 0.000 0.292 396 I C 0.151 176.414 176.117 0.244 0.000 1.001 396 I CA -0.586 60.872 61.300 0.264 0.000 1.119 396 I CB 1.887 40.006 38.000 0.199 0.000 1.289 396 I HN 0.572 nan 8.210 nan 0.000 0.438 397 E N 5.286 125.591 120.200 0.175 0.000 2.314 397 E HA 0.459 4.787 4.350 -0.035 0.000 0.272 397 E C -1.975 174.467 176.600 -0.263 0.000 0.884 397 E CA -0.677 55.729 56.400 0.011 0.000 0.753 397 E CB 2.568 32.415 29.700 0.246 0.000 1.213 397 E HN 0.424 nan 8.360 nan 0.000 0.432 398 F N 2.499 121.874 119.950 -0.958 0.000 2.508 398 F HA 0.486 4.992 4.527 -0.036 0.000 0.325 398 F C -0.894 174.366 175.800 -0.901 0.000 1.090 398 F CA -0.498 56.726 58.000 -1.293 0.000 0.945 398 F CB 1.664 39.503 39.000 -1.935 0.000 1.156 398 F HN 0.473 nan 8.300 nan 0.000 0.463 399 E N 4.025 123.173 120.200 -1.754 0.000 2.275 399 E HA 0.675 5.004 4.350 -0.035 0.000 0.270 399 E C -1.804 173.891 176.600 -1.509 0.000 0.882 399 E CA -0.997 54.687 56.400 -1.193 0.000 0.758 399 E CB 1.734 31.136 29.700 -0.498 0.000 1.195 399 E HN 0.828 nan 8.360 nan 0.000 0.419 400 A N 4.475 126.666 122.820 -1.049 0.000 2.290 400 A HA 0.487 4.785 4.320 -0.035 0.000 0.310 400 A C -0.704 176.640 177.584 -0.399 0.000 1.202 400 A CA -0.630 50.937 52.037 -0.783 0.000 0.837 400 A CB 0.657 19.059 19.000 -0.996 0.000 1.139 400 A HN 0.550 nan 8.150 nan 0.000 0.509 401 K N 1.901 122.151 120.400 -0.250 0.000 2.367 401 K HA 0.545 4.844 4.320 -0.035 0.000 0.263 401 K C -0.505 176.076 176.600 -0.031 0.000 1.000 401 K CA -0.211 56.014 56.287 -0.102 0.000 0.891 401 K CB 1.951 34.449 32.500 -0.003 0.000 1.117 401 K HN 0.724 nan 8.250 nan 0.000 0.443 402 A N 2.629 125.444 122.820 -0.009 0.000 2.276 402 A HA 0.557 4.855 4.320 -0.035 0.000 0.316 402 A C 0.002 177.557 177.584 -0.048 0.000 1.229 402 A CA -0.206 51.818 52.037 -0.021 0.000 0.851 402 A CB 1.266 20.210 19.000 -0.094 0.000 1.165 402 A HN 0.696 nan 8.150 nan 0.000 0.513 403 T N 0.813 115.326 114.554 -0.069 0.000 2.606 403 T HA 0.766 5.095 4.350 -0.035 0.000 0.280 403 T C 0.448 175.081 174.700 -0.112 0.000 1.074 403 T CA 1.089 63.166 62.100 -0.039 0.000 1.140 403 T CB 0.466 69.357 68.868 0.038 0.000 1.631 403 T HN 2.673 nan 8.240 nan 0.000 0.464 404 G N -0.090 108.640 108.800 -0.117 0.000 2.482 404 G HA2 -0.001 3.938 3.960 -0.035 0.000 0.214 404 G HA3 -0.001 3.938 3.960 -0.035 0.000 0.214 404 G C -1.092 173.690 174.900 -0.197 0.000 1.271 404 G CA -0.199 44.793 45.100 -0.179 0.000 0.944 404 G HN 1.397 nan 8.290 nan 0.000 0.568 405 V N 1.105 120.860 119.914 -0.264 0.000 2.555 405 V HA 0.639 4.738 4.120 -0.035 0.000 0.302 405 V C 1.097 177.087 176.094 -0.174 0.000 1.038 405 V CA -0.134 62.027 62.300 -0.231 0.000 0.887 405 V CB 1.234 32.840 31.823 -0.362 0.000 0.991 405 V HN 1.695 nan 8.190 nan 0.000 0.434 406 V N 1.955 121.916 119.914 0.077 0.000 2.924 406 V HA 0.402 4.500 4.120 -0.035 0.000 0.305 406 V C -0.175 175.976 176.094 0.096 0.000 1.073 406 V CA -0.303 62.081 62.300 0.141 0.000 1.098 406 V CB 0.412 32.379 31.823 0.240 0.000 1.000 406 V HN 0.635 nan 8.190 nan 0.000 0.484 407 F N 4.188 124.127 119.950 -0.019 0.000 2.467 407 F HA 0.523 5.032 4.527 -0.031 0.000 0.362 407 F C 0.949 176.833 175.800 0.139 0.000 1.090 407 F CA 0.357 58.372 58.000 0.026 0.000 1.202 407 F CB 0.798 39.779 39.000 -0.031 0.000 1.113 407 F HN 0.994 nan 8.300 nan 0.000 0.541 408 T N 1.673 116.295 114.554 0.114 0.000 2.949 408 T HA 0.841 5.170 4.350 -0.035 0.000 0.287 408 T C -0.277 174.517 174.700 0.157 0.000 1.034 408 T CA -0.335 61.857 62.100 0.153 0.000 1.018 408 T CB 1.672 70.597 68.868 0.096 0.000 1.135 408 T HN 0.695 nan 8.240 nan 0.000 0.532 409 S N -0.482 115.251 115.700 0.056 0.000 2.727 409 S HA 0.784 5.232 4.470 -0.035 0.000 0.278 409 S C -0.528 174.032 174.600 -0.067 0.000 1.186 409 S CA -0.831 57.347 58.200 -0.035 0.000 0.836 409 S CB 0.732 63.908 63.200 -0.040 0.000 1.186 409 S HN 1.404 nan 8.310 nan 0.000 0.499 410 A N 0.423 123.150 122.820 -0.154 0.000 2.351 410 A HA 0.660 4.959 4.320 -0.035 0.000 0.257 410 A C -0.734 176.866 177.584 0.027 0.000 1.087 410 A CA -0.361 51.638 52.037 -0.064 0.000 0.798 410 A CB -0.275 18.665 19.000 -0.099 0.000 1.033 410 A HN 0.926 nan 8.150 nan 0.000 0.488 411 F N 3.089 123.021 119.950 -0.031 0.000 2.391 411 F HA 0.516 5.019 4.527 -0.039 0.000 0.359 411 F C -2.067 173.766 175.800 0.056 0.000 1.122 411 F CA -2.500 55.492 58.000 -0.012 0.000 1.120 411 F CB 0.924 39.911 39.000 -0.022 0.000 1.142 411 F HN 0.312 nan 8.300 nan 0.000 0.483 412 P HA 0.020 nan 4.420 nan 0.000 0.269 412 P C -0.790 176.327 177.300 -0.305 0.000 1.209 412 P CA -0.204 62.741 63.100 -0.259 0.000 0.776 412 P CB 0.489 32.039 31.700 -0.251 0.000 0.876 413 E N 1.238 121.377 120.200 -0.101 0.000 2.415 413 E HA 0.204 4.532 4.350 -0.035 0.000 0.263 413 E C 1.002 177.550 176.600 -0.086 0.000 0.995 413 E CA 0.707 57.073 56.400 -0.058 0.000 0.915 413 E CB -0.287 29.390 29.700 -0.038 0.000 0.951 413 E HN 0.766 nan 8.360 nan 0.000 0.449 414 G N 2.862 111.636 108.800 -0.043 0.000 2.155 414 G HA2 -0.235 3.704 3.960 -0.035 0.000 0.257 414 G HA3 -0.235 3.704 3.960 -0.035 0.000 0.257 414 G C 0.598 175.454 174.900 -0.073 0.000 0.983 414 G CA 0.257 45.336 45.100 -0.035 0.000 0.676 414 G HN 1.335 nan 8.290 nan 0.000 0.528 415 G N -1.896 106.791 108.800 -0.189 0.000 2.760 415 G HA2 0.381 4.320 3.960 -0.035 0.000 0.246 415 G HA3 0.381 4.320 3.960 -0.035 0.000 0.246 415 G C -0.158 174.547 174.900 -0.324 0.000 1.359 415 G CA 0.792 45.743 45.100 -0.248 0.000 0.861 415 G HN 2.209 nan 8.290 nan 0.000 0.541 416 S N -1.309 114.284 115.700 -0.178 0.000 2.535 416 S HA 0.575 5.023 4.470 -0.035 0.000 0.272 416 S C -0.033 174.550 174.600 -0.028 0.000 1.149 416 S CA 0.365 58.476 58.200 -0.147 0.000 0.888 416 S CB 1.678 64.732 63.200 -0.243 0.000 1.110 416 S HN 0.591 nan 8.310 nan 0.000 0.463 417 D N 2.717 123.099 120.400 -0.030 0.000 2.355 417 D HA 0.129 4.748 4.640 -0.035 0.000 0.218 417 D C 0.457 176.748 176.300 -0.014 0.000 1.004 417 D CA 0.660 54.687 54.000 0.046 0.000 0.880 417 D CB -0.007 40.829 40.800 0.059 0.000 0.911 417 D HN 0.620 nan 8.370 nan 0.000 0.528 418 N N -0.715 117.796 118.700 -0.316 0.000 2.143 418 N HA 0.254 4.973 4.740 -0.035 0.000 0.229 418 N C -0.367 174.426 175.510 -1.196 0.000 1.294 418 N CA -0.027 52.632 53.050 -0.652 0.000 0.883 418 N CB 1.678 40.030 38.487 -0.226 0.000 1.148 418 N HN -0.011 nan 8.380 nan 0.000 0.511 419 I N -0.143 119.864 120.570 -0.938 0.000 2.722 419 I HA 0.328 4.477 4.170 -0.035 0.000 0.295 419 I C -0.718 175.405 176.117 0.010 0.000 1.161 419 I CA -0.788 60.250 61.300 -0.437 0.000 1.032 419 I CB 2.327 40.276 38.000 -0.085 0.000 1.244 419 I HN -0.171 nan 8.210 nan 0.000 0.421 420 S N 3.251 119.090 115.700 0.232 0.000 2.541 420 S HA 0.326 4.775 4.470 -0.035 0.000 0.283 420 S C -0.513 174.064 174.600 -0.039 0.000 1.196 420 S CA -0.493 57.864 58.200 0.261 0.000 1.062 420 S CB 1.546 64.937 63.200 0.318 0.000 1.009 420 S HN 0.557 nan 8.310 nan 0.000 0.502 421 Q N 2.134 121.622 119.800 -0.520 0.000 2.267 421 Q HA 0.380 4.699 4.340 -0.035 0.000 0.255 421 Q C 0.004 175.780 176.000 -0.372 0.000 0.923 421 Q CA -0.229 55.062 55.803 -0.853 0.000 0.925 421 Q CB 0.487 28.341 28.738 -1.473 0.000 1.195 421 Q HN 0.714 nan 8.270 nan 0.000 0.417 422 L N 2.130 123.156 121.223 -0.328 0.000 2.609 422 L HA 0.558 4.877 4.340 -0.035 0.000 0.230 422 L C 0.291 177.004 176.870 -0.261 0.000 1.064 422 L CA 0.109 54.786 54.840 -0.271 0.000 0.873 422 L CB 0.634 42.409 42.059 -0.474 0.000 1.139 422 L HN 0.655 nan 8.230 nan 0.000 0.490 423 A N -0.979 121.667 122.820 -0.289 0.000 2.566 423 A HA 0.609 4.907 4.320 -0.035 0.000 0.290 423 A C -2.799 174.711 177.584 -0.124 0.000 1.071 423 A CA -0.885 51.052 52.037 -0.166 0.000 0.658 423 A CB 0.304 19.193 19.000 -0.185 0.000 1.285 423 A HN -0.240 nan 8.150 nan 0.000 0.427 424 P HA 0.310 nan 4.420 nan 0.000 0.261 424 P C 1.037 178.351 177.300 0.023 0.000 1.203 424 P CA 2.328 65.428 63.100 -0.001 0.000 0.767 424 P CB 0.404 32.118 31.700 0.024 0.000 0.785 425 G N 2.419 111.261 108.800 0.069 0.000 2.184 425 G HA2 -0.281 3.657 3.960 -0.035 0.000 0.264 425 G HA3 -0.281 3.657 3.960 -0.035 0.000 0.264 425 G C -0.148 174.810 174.900 0.097 0.000 0.975 425 G CA -0.094 45.078 45.100 0.119 0.000 0.642 425 G HN 0.559 nan 8.290 nan 0.000 0.536 426 L N 1.777 122.991 121.223 -0.015 0.000 2.272 426 L HA 0.782 5.101 4.340 -0.035 0.000 0.289 426 L C 0.706 177.512 176.870 -0.108 0.000 1.032 426 L CA 0.189 54.957 54.840 -0.120 0.000 0.810 426 L CB 1.161 43.015 42.059 -0.341 0.000 1.205 426 L HN 0.368 nan 8.230 nan 0.000 0.422 427 G N 3.381 112.180 108.800 -0.002 0.000 2.489 427 G HA2 0.769 4.708 3.960 -0.035 0.000 0.327 427 G HA3 0.769 4.708 3.960 -0.035 0.000 0.327 427 G C -1.594 173.324 174.900 0.030 0.000 1.189 427 G CA -0.334 44.824 45.100 0.097 0.000 0.962 427 G HN 0.933 nan 8.290 nan 0.000 0.486 428 A N 1.561 124.437 122.820 0.093 0.000 2.457 428 A HA 0.754 5.052 4.320 -0.035 0.000 0.283 428 A C -2.859 174.850 177.584 0.209 0.000 1.166 428 A CA -1.305 50.821 52.037 0.148 0.000 0.740 428 A CB 1.723 20.801 19.000 0.130 0.000 1.181 428 A HN 0.406 nan 8.150 nan 0.000 0.446 429 P HA 0.245 nan 4.420 nan 0.000 0.268 429 P C -0.374 177.169 177.300 0.406 0.000 1.205 429 P CA 0.154 63.374 63.100 0.201 0.000 0.771 429 P CB 0.199 32.033 31.700 0.223 0.000 0.858 430 F N 3.299 123.337 119.950 0.146 0.000 2.553 430 F HA 0.218 4.725 4.527 -0.034 0.000 0.356 430 F C 1.636 177.362 175.800 -0.123 0.000 1.142 430 F CA 0.552 58.523 58.000 -0.048 0.000 1.322 430 F CB -0.501 38.453 39.000 -0.076 0.000 1.126 430 F HN 0.499 nan 8.300 nan 0.000 0.599 431 H N -0.455 118.447 119.070 -0.281 0.000 2.917 431 H HA 0.439 4.974 4.556 -0.035 0.000 0.299 431 H C -1.891 173.147 175.328 -0.483 0.000 1.418 431 H CA -1.143 54.558 56.048 -0.578 0.000 1.138 431 H CB 1.186 30.221 29.762 -1.211 0.000 1.830 431 H HN 0.593 nan 8.280 nan 0.000 0.514 432 Q N 0.442 119.975 119.800 -0.446 0.000 2.413 432 Q HA 0.380 4.699 4.340 -0.035 0.000 0.276 432 Q C -0.960 174.816 176.000 -0.373 0.000 1.099 432 Q CA -0.971 54.627 55.803 -0.341 0.000 0.814 432 Q CB 2.851 31.436 28.738 -0.256 0.000 1.379 432 Q HN 0.539 nan 8.270 nan 0.000 0.436 433 H N 1.702 120.728 119.070 -0.073 0.000 2.638 433 H HA 0.446 4.981 4.556 -0.036 0.000 0.317 433 H C -0.716 174.492 175.328 -0.199 0.000 1.006 433 H CA -0.327 55.643 56.048 -0.130 0.000 1.222 433 H CB 0.883 30.651 29.762 0.010 0.000 1.419 433 H HN 0.429 nan 8.280 nan 0.000 0.489 434 I N 4.149 124.571 120.570 -0.247 0.000 2.389 434 I HA 0.215 4.364 4.170 -0.035 0.000 0.288 434 I C -0.567 175.354 176.117 -0.327 0.000 0.999 434 I CA -0.606 60.574 61.300 -0.201 0.000 1.129 434 I CB 0.951 38.838 38.000 -0.188 0.000 1.288 434 I HN 0.240 nan 8.210 nan 0.000 0.444 435 F N 3.310 123.006 119.950 -0.424 0.000 2.432 435 F HA 0.482 4.987 4.527 -0.035 0.000 0.329 435 F C 0.708 176.285 175.800 -0.372 0.000 1.076 435 F CA -0.688 56.989 58.000 -0.538 0.000 1.018 435 F CB 1.725 40.039 39.000 -1.143 0.000 1.201 435 F HN 0.280 nan 8.300 nan 0.000 0.489 436 S N 1.419 117.120 115.700 0.002 0.000 2.596 436 S HA 0.780 5.229 4.470 -0.035 0.000 0.318 436 S C -0.816 173.870 174.600 0.144 0.000 1.097 436 S CA -0.573 57.662 58.200 0.060 0.000 1.080 436 S CB 0.491 63.551 63.200 -0.232 0.000 0.991 436 S HN 0.817 nan 8.310 nan 0.000 0.471 437 A N 4.923 127.891 122.820 0.248 0.000 2.260 437 A HA 0.610 4.908 4.320 -0.035 0.000 0.308 437 A C 0.136 177.758 177.584 0.064 0.000 1.254 437 A CA -0.677 51.484 52.037 0.207 0.000 0.874 437 A CB 0.367 19.486 19.000 0.199 0.000 1.153 437 A HN 0.857 nan 8.150 nan 0.000 0.527 438 R N 3.489 123.960 120.500 -0.049 0.000 2.229 438 R HA 0.537 4.855 4.340 -0.035 0.000 0.332 438 R C -1.548 174.572 176.300 -0.300 0.000 0.989 438 R CA -0.359 55.507 56.100 -0.391 0.000 0.842 438 R CB 0.328 30.265 30.300 -0.604 0.000 1.119 438 R HN 0.715 nan 8.270 nan 0.000 0.456 439 L N 4.643 125.673 121.223 -0.322 0.000 2.356 439 L HA 0.242 4.561 4.340 -0.035 0.000 0.264 439 L C -0.489 176.252 176.870 -0.214 0.000 1.029 439 L CA -0.891 53.837 54.840 -0.187 0.000 0.897 439 L CB 1.357 43.370 42.059 -0.078 0.000 1.256 439 L HN 0.565 nan 8.230 nan 0.000 0.444 440 D N 4.498 124.777 120.400 -0.203 0.000 2.348 440 D HA 0.130 4.749 4.640 -0.035 0.000 0.259 440 D C 0.086 176.344 176.300 -0.070 0.000 1.296 440 D CA -0.047 53.883 54.000 -0.115 0.000 0.931 440 D CB 0.630 41.380 40.800 -0.083 0.000 1.067 440 D HN 0.131 nan 8.370 nan 0.000 0.503 441 M N 2.481 122.059 119.600 -0.038 0.000 2.250 441 M HA 0.406 4.865 4.480 -0.035 0.000 0.344 441 M C 0.274 176.545 176.300 -0.048 0.000 1.150 441 M CA -0.654 54.618 55.300 -0.046 0.000 1.147 441 M CB 1.025 33.618 32.600 -0.012 0.000 1.498 441 M HN 0.473 nan 8.290 nan 0.000 0.461 442 A N 3.993 126.723 122.820 -0.150 0.000 3.365 442 A HA 0.416 4.715 4.320 -0.035 0.000 0.258 442 A C -0.349 177.117 177.584 -0.197 0.000 0.964 442 A CA -0.528 51.327 52.037 -0.304 0.000 0.988 442 A CB 0.089 18.720 19.000 -0.617 0.000 1.193 442 A HN 0.629 nan 8.150 nan 0.000 0.508 443 I N 1.569 122.093 120.570 -0.076 0.000 2.576 443 I HA 0.057 4.206 4.170 -0.035 0.000 0.288 443 I C 0.349 176.512 176.117 0.077 0.000 1.126 443 I CA 0.770 62.098 61.300 0.046 0.000 1.362 443 I CB -0.747 37.322 38.000 0.116 0.000 1.419 443 I HN 0.497 nan 8.210 nan 0.000 0.533 444 D N 5.146 125.621 120.400 0.126 0.000 2.811 444 D HA -0.159 4.460 4.640 -0.035 0.000 0.231 444 D C 0.696 176.954 176.300 -0.070 0.000 1.157 444 D CA 1.676 55.686 54.000 0.016 0.000 0.716 444 D CB -0.718 40.053 40.800 -0.048 0.000 1.077 444 D HN 1.138 nan 8.370 nan 0.000 0.428 445 G N -2.097 106.600 108.800 -0.171 0.000 2.434 445 G HA2 -0.150 3.788 3.960 -0.035 0.000 0.671 445 G HA3 -0.150 3.788 3.960 -0.035 0.000 0.671 445 G C 0.320 175.046 174.900 -0.290 0.000 1.280 445 G CA -0.339 44.590 45.100 -0.285 0.000 0.975 445 G HN 0.077 nan 8.290 nan 0.000 0.510 446 F N 0.794 120.734 119.950 -0.016 0.000 2.743 446 F HA 0.227 4.732 4.527 -0.035 0.000 0.297 446 F C 2.259 178.055 175.800 -0.007 0.000 1.131 446 F CA 1.197 59.180 58.000 -0.029 0.000 1.426 446 F CB 0.310 39.278 39.000 -0.054 0.000 1.116 446 F HN 0.309 nan 8.300 nan 0.000 0.583 447 T N 2.328 116.969 114.554 0.146 0.000 2.978 447 T HA 0.147 4.476 4.350 -0.035 0.000 0.278 447 T C -0.110 174.637 174.700 0.079 0.000 0.945 447 T CA -0.024 62.138 62.100 0.103 0.000 1.070 447 T CB -0.716 68.196 68.868 0.075 0.000 0.948 447 T HN 0.199 nan 8.240 nan 0.000 0.617 448 N N 2.082 120.835 118.700 0.089 0.000 2.380 448 N HA 0.751 5.469 4.740 -0.035 0.000 0.290 448 N C -0.326 175.233 175.510 0.081 0.000 1.236 448 N CA -1.290 51.808 53.050 0.079 0.000 0.780 448 N CB 2.172 40.706 38.487 0.078 0.000 1.438 448 N HN 0.514 nan 8.380 nan 0.000 0.491 449 R N -1.079 119.470 120.500 0.081 0.000 2.752 449 R HA 0.662 4.981 4.340 -0.035 0.000 0.271 449 R C -2.047 174.311 176.300 0.096 0.000 1.026 449 R CA -0.763 55.389 56.100 0.086 0.000 0.901 449 R CB 0.915 31.261 30.300 0.076 0.000 1.243 449 R HN 0.202 nan 8.270 nan 0.000 0.463 450 V N 0.846 120.824 119.914 0.107 0.000 2.588 450 V HA 0.433 4.532 4.120 -0.035 0.000 0.304 450 V C -0.701 175.477 176.094 0.140 0.000 1.042 450 V CA -0.718 61.662 62.300 0.134 0.000 0.877 450 V CB 1.788 33.696 31.823 0.142 0.000 0.996 450 V HN 0.754 nan 8.190 nan 0.000 0.425 451 E N 2.192 122.482 120.200 0.150 0.000 2.238 451 E HA 0.442 4.771 4.350 -0.035 0.000 0.267 451 E C -0.951 175.742 176.600 0.155 0.000 0.887 451 E CA -0.674 55.802 56.400 0.127 0.000 0.769 451 E CB 2.777 32.519 29.700 0.071 0.000 1.187 451 E HN 0.733 nan 8.360 nan 0.000 0.416 452 E N 2.527 122.804 120.200 0.129 0.000 2.167 452 E HA 0.066 4.394 4.350 -0.035 0.000 0.284 452 E C -0.999 175.524 176.600 -0.128 0.000 1.016 452 E CA -0.233 56.151 56.400 -0.026 0.000 0.817 452 E CB 0.852 30.601 29.700 0.081 0.000 1.080 452 E HN 0.388 nan 8.360 nan 0.000 0.397 453 E N 4.361 124.409 120.200 -0.255 0.000 2.145 453 E HA 0.175 4.504 4.350 -0.035 0.000 0.270 453 E C -1.275 175.199 176.600 -0.210 0.000 0.906 453 E CA -0.827 55.467 56.400 -0.177 0.000 0.761 453 E CB 0.899 30.514 29.700 -0.143 0.000 1.116 453 E HN 0.419 nan 8.360 nan 0.000 0.408 454 D N 2.760 123.083 120.400 -0.128 0.000 2.350 454 D HA 0.226 4.845 4.640 -0.035 0.000 0.245 454 D C -0.347 175.923 176.300 -0.051 0.000 1.036 454 D CA -0.569 53.368 54.000 -0.106 0.000 0.848 454 D CB 2.108 42.861 40.800 -0.079 0.000 1.307 454 D HN 0.168 nan 8.370 nan 0.000 0.469 455 V N 1.414 121.303 119.914 -0.042 0.000 2.763 455 V HA 0.095 4.194 4.120 -0.035 0.000 0.306 455 V C 0.340 176.441 176.094 0.012 0.000 1.059 455 V CA -0.030 62.271 62.300 0.001 0.000 1.138 455 V CB 1.035 32.834 31.823 -0.038 0.000 0.940 455 V HN 0.258 nan 8.190 nan 0.000 0.489 456 V N 6.155 126.104 119.914 0.059 0.000 2.407 456 V HA 0.415 4.514 4.120 -0.035 0.000 0.291 456 V C 0.254 176.400 176.094 0.086 0.000 1.018 456 V CA -0.786 61.545 62.300 0.052 0.000 0.842 456 V CB 1.528 33.377 31.823 0.043 0.000 0.996 456 V HN 0.826 nan 8.190 nan 0.000 0.426 457 R N 3.449 123.980 120.500 0.051 0.000 2.490 457 R HA 0.525 4.844 4.340 -0.035 0.000 0.278 457 R C -0.480 175.855 176.300 0.059 0.000 1.069 457 R CA -0.382 55.755 56.100 0.061 0.000 1.080 457 R CB 0.973 31.286 30.300 0.021 0.000 1.030 457 R HN 0.664 nan 8.270 nan 0.000 0.491 458 Q N 0.514 120.356 119.800 0.071 0.000 2.365 458 Q HA 0.270 4.589 4.340 -0.035 0.000 0.269 458 Q C -0.841 175.182 176.000 0.038 0.000 1.061 458 Q CA -0.654 55.178 55.803 0.048 0.000 0.816 458 Q CB 2.653 31.420 28.738 0.049 0.000 1.325 458 Q HN 0.471 nan 8.270 nan 0.000 0.446 459 T N 2.325 116.894 114.554 0.025 0.000 2.869 459 T HA 0.211 4.540 4.350 -0.035 0.000 0.295 459 T C 0.142 174.852 174.700 0.017 0.000 0.987 459 T CA -0.337 61.774 62.100 0.019 0.000 1.109 459 T CB 0.403 69.279 68.868 0.013 0.000 0.932 459 T HN 0.496 nan 8.240 nan 0.000 0.518 460 M N 3.333 122.943 119.600 0.016 0.000 2.260 460 M HA 0.391 4.849 4.480 -0.035 0.000 0.348 460 M C 0.544 176.850 176.300 0.009 0.000 1.342 460 M CA 1.133 56.441 55.300 0.013 0.000 1.040 460 M CB -0.579 32.029 32.600 0.012 0.000 1.810 460 M HN 0.912 nan 8.290 nan 0.000 0.453 461 G N 4.411 113.215 108.800 0.007 0.000 2.344 461 G HA2 0.222 4.161 3.960 -0.035 0.000 0.282 461 G HA3 0.222 4.161 3.960 -0.035 0.000 0.282 461 G C -3.414 171.488 174.900 0.003 0.000 1.281 461 G CA -1.172 43.931 45.100 0.005 0.000 0.877 461 G HN 0.415 nan 8.290 nan 0.000 0.494 462 P HA 0.332 nan 4.420 nan 0.000 0.261 462 P C 0.994 178.293 177.300 -0.001 0.000 1.183 462 P CA 2.295 65.395 63.100 0.000 0.000 0.761 462 P CB 0.778 32.478 31.700 0.000 0.000 0.785 463 G N 2.923 111.722 108.800 -0.003 0.000 2.217 463 G HA2 -0.263 3.676 3.960 -0.035 0.000 0.246 463 G HA3 -0.263 3.676 3.960 -0.035 0.000 0.246 463 G C 0.500 175.396 174.900 -0.006 0.000 0.990 463 G CA 0.270 45.366 45.100 -0.006 0.000 0.627 463 G HN 0.645 nan 8.290 nan 0.000 0.522 464 N N 0.115 118.814 118.700 -0.002 0.000 2.620 464 N HA 0.370 5.089 4.740 -0.035 0.000 0.277 464 N C 0.867 176.379 175.510 0.004 0.000 1.726 464 N CA 0.314 53.364 53.050 -0.000 0.000 0.840 464 N CB 0.502 38.992 38.487 0.004 0.000 1.379 464 N HN 0.160 nan 8.380 nan 0.000 0.506 465 E N -0.005 120.196 120.200 0.002 0.000 2.204 465 E HA 0.038 4.367 4.350 -0.035 0.000 0.194 465 E C 1.174 177.777 176.600 0.005 0.000 0.989 465 E CA 1.092 57.494 56.400 0.003 0.000 0.824 465 E CB 0.157 29.858 29.700 0.001 0.000 0.756 465 E HN 0.379 nan 8.360 nan 0.000 0.477 466 R N -0.662 119.842 120.500 0.006 0.000 2.310 466 R HA 0.147 4.466 4.340 -0.035 0.000 0.202 466 R C 0.722 177.031 176.300 0.015 0.000 0.933 466 R CA 0.505 56.611 56.100 0.010 0.000 1.054 466 R CB 0.314 30.619 30.300 0.009 0.000 0.985 466 R HN 0.202 nan 8.270 nan 0.000 0.489 467 G N 2.642 111.452 108.800 0.017 0.000 2.295 467 G HA2 -0.285 3.653 3.960 -0.035 0.000 0.287 467 G HA3 -0.285 3.653 3.960 -0.035 0.000 0.287 467 G C 0.386 175.311 174.900 0.041 0.000 1.055 467 G CA 0.693 45.809 45.100 0.026 0.000 0.922 467 G HN 0.573 nan 8.290 nan 0.000 0.503 468 N N -0.674 118.051 118.700 0.042 0.000 2.250 468 N HA 0.370 5.088 4.740 -0.035 0.000 0.190 468 N C 1.056 176.620 175.510 0.090 0.000 1.116 468 N CA 0.677 53.767 53.050 0.066 0.000 0.881 468 N CB 0.123 38.636 38.487 0.043 0.000 1.006 468 N HN 0.979 nan 8.380 nan 0.000 0.491 469 A N 0.975 123.823 122.820 0.048 0.000 2.462 469 A HA 0.468 4.767 4.320 -0.035 0.000 0.243 469 A C -0.438 177.214 177.584 0.113 0.000 1.076 469 A CA -0.308 51.731 52.037 0.003 0.000 0.773 469 A CB -0.364 18.628 19.000 -0.014 0.000 1.010 469 A HN 0.456 nan 8.150 nan 0.000 0.493 470 F N 0.286 120.231 119.950 -0.009 0.000 2.643 470 F HA 0.852 5.358 4.527 -0.035 0.000 0.314 470 F C -0.223 175.570 175.800 -0.012 0.000 1.096 470 F CA -0.509 57.485 58.000 -0.011 0.000 0.953 470 F CB 1.088 40.081 39.000 -0.012 0.000 1.345 470 F HN 0.604 nan 8.300 nan 0.000 0.468 471 S N 0.232 116.059 115.700 0.212 0.000 2.998 471 S HA 0.880 5.329 4.470 -0.035 0.000 0.321 471 S C -1.580 173.103 174.600 0.138 0.000 1.171 471 S CA -0.838 57.410 58.200 0.080 0.000 0.882 471 S CB 1.554 64.767 63.200 0.022 0.000 1.301 471 S HN 1.108 nan 8.310 nan 0.000 0.629 472 R N 0.369 120.906 120.500 0.062 0.000 2.710 472 R HA 0.661 4.980 4.340 -0.035 0.000 0.270 472 R C -1.925 174.384 176.300 0.014 0.000 1.021 472 R CA -1.084 55.041 56.100 0.043 0.000 0.889 472 R CB 1.170 31.494 30.300 0.040 0.000 1.243 472 R HN 0.663 nan 8.270 nan 0.000 0.464 473 K N 1.346 121.746 120.400 -0.000 0.000 2.426 473 K HA 0.590 4.889 4.320 -0.035 0.000 0.251 473 K C -1.128 175.463 176.600 -0.015 0.000 0.941 473 K CA -1.141 55.143 56.287 -0.005 0.000 0.808 473 K CB 2.695 35.194 32.500 -0.002 0.000 1.265 473 K HN 0.617 nan 8.250 nan 0.000 0.432 474 R N 1.177 121.674 120.500 -0.006 0.000 2.534 474 R HA 0.386 4.705 4.340 -0.035 0.000 0.301 474 R C -1.127 175.180 176.300 0.012 0.000 0.961 474 R CA -0.909 55.189 56.100 -0.003 0.000 0.871 474 R CB 2.519 32.821 30.300 0.003 0.000 1.170 474 R HN 0.667 nan 8.270 nan 0.000 0.446 475 T N 2.172 116.739 114.554 0.022 0.000 2.815 475 T HA 0.215 4.544 4.350 -0.035 0.000 0.289 475 T C -0.008 174.727 174.700 0.058 0.000 1.000 475 T CA -0.636 61.486 62.100 0.036 0.000 0.958 475 T CB 1.504 70.395 68.868 0.038 0.000 0.944 475 T HN 0.153 nan 8.240 nan 0.000 0.442 476 V N 4.965 124.912 119.914 0.054 0.000 2.655 476 V HA 0.156 4.255 4.120 -0.035 0.000 0.300 476 V C 0.484 176.621 176.094 0.073 0.000 1.044 476 V CA -0.393 61.947 62.300 0.066 0.000 1.095 476 V CB 0.276 32.132 31.823 0.054 0.000 0.952 476 V HN 0.720 nan 8.190 nan 0.000 0.485 477 L N 5.606 126.883 121.223 0.090 0.000 2.295 477 L HA 0.237 4.556 4.340 -0.035 0.000 0.288 477 L C 1.515 178.430 176.870 0.076 0.000 1.079 477 L CA -0.102 54.791 54.840 0.087 0.000 0.830 477 L CB 0.788 42.910 42.059 0.104 0.000 1.200 477 L HN 0.931 nan 8.230 nan 0.000 0.438 478 T N -0.010 114.582 114.554 0.064 0.000 3.031 478 T HA 0.151 4.480 4.350 -0.035 0.000 0.254 478 T C 0.968 175.704 174.700 0.060 0.000 1.060 478 T CA 0.175 62.310 62.100 0.058 0.000 1.135 478 T CB 0.316 69.212 68.868 0.047 0.000 0.896 478 T HN 0.470 nan 8.240 nan 0.000 0.472 479 R N 0.175 120.711 120.500 0.060 0.000 2.740 479 R HA 0.417 4.736 4.340 -0.035 0.000 0.273 479 R C 0.368 176.710 176.300 0.070 0.000 0.998 479 R CA -0.678 55.459 56.100 0.062 0.000 0.900 479 R CB 1.660 31.990 30.300 0.050 0.000 1.223 479 R HN 0.112 nan 8.270 nan 0.000 0.466 480 E N 0.536 120.784 120.200 0.081 0.000 2.171 480 E HA -0.212 4.117 4.350 -0.035 0.000 0.197 480 E C 1.505 178.154 176.600 0.081 0.000 0.997 480 E CA 2.058 58.517 56.400 0.099 0.000 0.810 480 E CB 0.069 29.837 29.700 0.113 0.000 0.738 480 E HN 0.606 nan 8.360 nan 0.000 0.467 481 S N 0.772 116.509 115.700 0.062 0.000 2.442 481 S HA -0.163 4.286 4.470 -0.035 0.000 0.236 481 S C 1.512 176.128 174.600 0.027 0.000 1.007 481 S CA 0.974 59.200 58.200 0.044 0.000 0.965 481 S CB -0.120 63.102 63.200 0.037 0.000 0.773 481 S HN 0.250 nan 8.310 nan 0.000 0.504 482 E N 0.733 120.953 120.200 0.033 0.000 2.463 482 E HA 0.371 4.700 4.350 -0.035 0.000 0.193 482 E C 0.907 177.521 176.600 0.022 0.000 1.041 482 E CA 0.282 56.698 56.400 0.026 0.000 0.879 482 E CB 0.317 30.040 29.700 0.038 0.000 0.997 482 E HN 0.659 nan 8.360 nan 0.000 0.478 483 A N 0.927 123.759 122.820 0.021 0.000 2.574 483 A HA 0.229 4.528 4.320 -0.035 0.000 0.283 483 A C 0.173 177.715 177.584 -0.070 0.000 1.270 483 A CA -0.232 51.818 52.037 0.021 0.000 0.945 483 A CB 0.408 19.459 19.000 0.085 0.000 1.127 483 A HN 0.015 nan 8.150 nan 0.000 0.522 484 V N 2.612 122.417 119.914 -0.182 0.000 2.294 484 V HA 0.423 4.522 4.120 -0.035 0.000 0.272 484 V C -0.464 175.410 176.094 -0.367 0.000 1.027 484 V CA -0.667 61.336 62.300 -0.495 0.000 0.823 484 V CB 0.510 31.963 31.823 -0.618 0.000 1.030 484 V HN 0.453 nan 8.190 nan 0.000 0.457 485 R N 3.427 123.711 120.500 -0.359 0.000 2.778 485 R HA 0.632 4.950 4.340 -0.035 0.000 0.277 485 R C -0.135 176.116 176.300 -0.082 0.000 0.977 485 R CA -0.702 55.328 56.100 -0.116 0.000 0.950 485 R CB 2.292 32.632 30.300 0.066 0.000 1.165 485 R HN 0.897 nan 8.270 nan 0.000 0.474 486 E N 0.593 120.845 120.200 0.087 0.000 2.249 486 E HA 0.706 5.035 4.350 -0.035 0.000 0.263 486 E C -0.750 176.051 176.600 0.334 0.000 0.950 486 E CA -1.085 55.398 56.400 0.139 0.000 0.827 486 E CB 1.590 31.330 29.700 0.067 0.000 1.220 486 E HN 0.523 nan 8.360 nan 0.000 0.411 487 A N 1.247 124.258 122.820 0.318 0.000 2.425 487 A HA 0.188 4.486 4.320 -0.035 0.000 0.242 487 A C -0.220 177.459 177.584 0.158 0.000 1.077 487 A CA 0.083 52.315 52.037 0.325 0.000 0.781 487 A CB 0.253 19.422 19.000 0.281 0.000 1.020 487 A HN 0.689 nan 8.150 nan 0.000 0.494 488 D N 0.687 121.132 120.400 0.075 0.000 2.527 488 D HA 0.428 5.047 4.640 -0.035 0.000 0.242 488 D C 0.750 177.048 176.300 -0.003 0.000 1.285 488 D CA 0.277 54.292 54.000 0.025 0.000 0.886 488 D CB 0.648 41.446 40.800 -0.003 0.000 1.402 488 D HN 0.474 nan 8.370 nan 0.000 0.528 489 A N 2.941 125.777 122.820 0.027 0.000 1.940 489 A HA -0.182 4.117 4.320 -0.035 0.000 0.219 489 A C 2.076 179.655 177.584 -0.009 0.000 1.176 489 A CA 1.436 53.485 52.037 0.020 0.000 0.631 489 A CB -0.274 18.752 19.000 0.043 0.000 0.814 489 A HN 0.508 nan 8.150 nan 0.000 0.446 490 R N -0.112 120.383 120.500 -0.009 0.000 2.127 490 R HA -0.133 4.185 4.340 -0.035 0.000 0.238 490 R C 1.547 177.822 176.300 -0.041 0.000 1.134 490 R CA 1.965 58.051 56.100 -0.023 0.000 0.975 490 R CB -0.386 29.905 30.300 -0.015 0.000 0.865 490 R HN 0.604 nan 8.270 nan 0.000 0.447 491 T N -3.348 111.179 114.554 -0.045 0.000 3.186 491 T HA 0.249 4.578 4.350 -0.035 0.000 0.257 491 T C 0.864 175.517 174.700 -0.078 0.000 1.029 491 T CA 0.174 62.238 62.100 -0.060 0.000 0.916 491 T CB 0.733 69.568 68.868 -0.054 0.000 1.041 491 T HN 0.369 nan 8.240 nan 0.000 0.562 492 G N 2.400 111.157 108.800 -0.072 0.000 2.305 492 G HA2 -0.341 3.598 3.960 -0.035 0.000 0.287 492 G HA3 -0.341 3.598 3.960 -0.035 0.000 0.287 492 G C 0.032 174.850 174.900 -0.136 0.000 1.036 492 G CA 0.176 45.232 45.100 -0.074 0.000 0.887 492 G HN 0.899 nan 8.290 nan 0.000 0.505 493 R N 0.555 120.938 120.500 -0.195 0.000 2.522 493 R HA 0.438 4.756 4.340 -0.035 0.000 0.284 493 R C 0.885 176.818 176.300 -0.612 0.000 1.032 493 R CA 0.967 56.828 56.100 -0.398 0.000 1.049 493 R CB 0.238 30.294 30.300 -0.407 0.000 0.956 493 R HN 0.482 nan 8.270 nan 0.000 0.422 494 T N 0.661 114.763 114.554 -0.753 0.000 2.804 494 T HA 0.540 4.869 4.350 -0.035 0.000 0.290 494 T C -1.054 173.095 174.700 -0.918 0.000 1.099 494 T CA -0.956 60.693 62.100 -0.752 0.000 1.011 494 T CB 1.255 69.872 68.868 -0.419 0.000 1.291 494 T HN 0.564 nan 8.240 nan 0.000 0.523 495 W N 0.644 121.887 121.300 -0.095 0.000 2.781 495 W HA 0.582 5.221 4.660 -0.035 0.000 0.333 495 W C -1.226 175.265 176.519 -0.047 0.000 1.047 495 W CA -1.172 56.142 57.345 -0.052 0.000 1.236 495 W CB 1.592 31.031 29.460 -0.036 0.000 1.394 495 W HN 0.585 nan 8.180 nan 0.000 0.466 496 I N 4.402 125.063 120.570 0.152 0.000 2.354 496 I HA 0.292 4.440 4.170 -0.035 0.000 0.292 496 I C -0.254 175.946 176.117 0.138 0.000 0.989 496 I CA -0.930 60.437 61.300 0.110 0.000 1.188 496 I CB 1.222 39.257 38.000 0.059 0.000 1.342 496 I HN 0.087 nan 8.210 nan 0.000 0.457 497 I N 6.136 126.792 120.570 0.143 0.000 2.312 497 I HA 0.294 4.442 4.170 -0.035 0.000 0.290 497 I C 0.416 176.612 176.117 0.132 0.000 1.008 497 I CA 0.260 61.637 61.300 0.128 0.000 1.226 497 I CB 1.142 39.209 38.000 0.111 0.000 1.371 497 I HN 0.600 nan 8.210 nan 0.000 0.468 498 S N 4.046 119.812 115.700 0.109 0.000 2.715 498 S HA 0.576 5.025 4.470 -0.035 0.000 0.307 498 S C -0.637 174.014 174.600 0.086 0.000 1.119 498 S CA -0.926 57.337 58.200 0.104 0.000 0.937 498 S CB 1.925 65.173 63.200 0.080 0.000 1.150 498 S HN 0.531 nan 8.310 nan 0.000 0.521 499 N N 1.708 120.452 118.700 0.073 0.000 2.564 499 N HA 0.377 5.095 4.740 -0.035 0.000 0.248 499 N C -2.099 173.429 175.510 0.030 0.000 0.986 499 N CA -2.273 50.806 53.050 0.048 0.000 0.921 499 N CB 1.576 40.084 38.487 0.035 0.000 1.136 499 N HN 0.374 nan 8.380 nan 0.000 0.509 500 P HA -0.013 nan 4.420 nan 0.000 0.230 500 P C 0.004 177.312 177.300 0.013 0.000 1.158 500 P CA 0.997 64.112 63.100 0.024 0.000 0.769 500 P CB 0.501 32.220 31.700 0.031 0.000 0.807 501 E N -0.916 119.290 120.200 0.011 0.000 2.476 501 E HA 0.147 4.475 4.350 -0.035 0.000 0.196 501 E C 0.121 176.712 176.600 -0.014 0.000 1.029 501 E CA -0.096 56.306 56.400 0.002 0.000 0.896 501 E CB 0.348 30.054 29.700 0.010 0.000 1.012 501 E HN -0.025 nan 8.360 nan 0.000 0.475 502 S N 1.015 116.700 115.700 -0.025 0.000 2.640 502 S HA 0.394 4.843 4.470 -0.035 0.000 0.320 502 S C -0.906 173.653 174.600 -0.068 0.000 1.097 502 S CA -0.750 57.416 58.200 -0.057 0.000 1.092 502 S CB 0.478 63.630 63.200 -0.081 0.000 0.988 502 S HN -0.091 nan 8.310 nan 0.000 0.470 503 K N 3.197 123.556 120.400 -0.069 0.000 2.164 503 K HA 0.463 4.762 4.320 -0.035 0.000 0.258 503 K C 0.197 176.743 176.600 -0.089 0.000 0.951 503 K CA -0.836 55.412 56.287 -0.064 0.000 0.844 503 K CB 0.958 33.434 32.500 -0.041 0.000 1.099 503 K HN 0.768 nan 8.250 nan 0.000 0.435 504 N N 0.740 119.387 118.700 -0.088 0.000 2.327 504 N HA 0.036 4.754 4.740 -0.035 0.000 0.257 504 N C 0.609 176.084 175.510 -0.057 0.000 1.281 504 N CA -0.231 52.763 53.050 -0.093 0.000 0.942 504 N CB 0.325 38.760 38.487 -0.086 0.000 1.199 504 N HN 0.580 nan 8.380 nan 0.000 0.532 505 R N -0.701 119.772 120.500 -0.045 0.000 2.285 505 R HA 0.034 4.353 4.340 -0.035 0.000 0.213 505 R C 0.533 176.819 176.300 -0.023 0.000 1.068 505 R CA 1.057 57.139 56.100 -0.030 0.000 1.004 505 R CB -0.684 29.603 30.300 -0.021 0.000 0.873 505 R HN 0.568 nan 8.270 nan 0.000 0.467 506 L N 1.215 122.424 121.223 -0.022 0.000 2.685 506 L HA 0.172 4.491 4.340 -0.035 0.000 0.233 506 L C -0.053 176.806 176.870 -0.018 0.000 1.173 506 L CA -0.236 54.593 54.840 -0.018 0.000 0.961 506 L CB -0.564 41.486 42.059 -0.014 0.000 1.217 506 L HN 0.273 nan 8.230 nan 0.000 0.478 507 N N 1.282 119.969 118.700 -0.023 0.000 2.741 507 N HA -0.200 4.519 4.740 -0.035 0.000 0.250 507 N C -0.291 175.208 175.510 -0.018 0.000 1.115 507 N CA 0.729 53.766 53.050 -0.021 0.000 0.724 507 N CB -0.448 38.029 38.487 -0.016 0.000 1.090 507 N HN 0.390 nan 8.380 nan 0.000 0.558 508 E N -0.133 120.054 120.200 -0.021 0.000 2.179 508 E HA 0.386 4.715 4.350 -0.035 0.000 0.275 508 E C -2.436 174.153 176.600 -0.019 0.000 0.945 508 E CA -1.821 54.571 56.400 -0.015 0.000 0.792 508 E CB 1.163 30.856 29.700 -0.011 0.000 1.125 508 E HN 0.170 nan 8.360 nan 0.000 0.397 509 P HA -0.065 nan 4.420 nan 0.000 0.265 509 P C -0.058 177.242 177.300 -0.000 0.000 1.193 509 P CA -0.123 62.974 63.100 -0.006 0.000 0.765 509 P CB 0.387 32.095 31.700 0.013 0.000 0.823 510 V N 1.494 121.397 119.914 -0.019 0.000 2.843 510 V HA 0.737 4.836 4.120 -0.035 0.000 0.305 510 V C 0.499 176.676 176.094 0.139 0.000 1.065 510 V CA 0.176 62.479 62.300 0.006 0.000 1.116 510 V CB 0.277 32.007 31.823 -0.156 0.000 0.968 510 V HN 0.728 nan 8.190 nan 0.000 0.487 511 G N 2.384 111.319 108.800 0.226 0.000 2.677 511 G HA2 0.602 4.541 3.960 -0.035 0.000 0.291 511 G HA3 0.602 4.541 3.960 -0.035 0.000 0.291 511 G C -2.267 172.755 174.900 0.203 0.000 1.435 511 G CA -0.724 44.501 45.100 0.209 0.000 0.826 511 G HN 0.737 nan 8.290 nan 0.000 0.491 512 Y N -0.033 120.289 120.300 0.036 0.000 2.462 512 Y HA 0.625 5.153 4.550 -0.035 0.000 0.346 512 Y C 0.233 176.154 175.900 0.034 0.000 0.976 512 Y CA -0.764 57.340 58.100 0.008 0.000 1.044 512 Y CB 2.808 41.244 38.460 -0.041 0.000 1.230 512 Y HN 0.483 nan 8.280 nan 0.000 0.455 513 K N 3.759 124.221 120.400 0.104 0.000 2.235 513 K HA 0.503 4.802 4.320 -0.035 0.000 0.266 513 K C -1.662 174.945 176.600 0.011 0.000 0.980 513 K CA -0.880 55.410 56.287 0.005 0.000 0.849 513 K CB 0.946 33.374 32.500 -0.121 0.000 1.098 513 K HN 0.603 nan 8.250 nan 0.000 0.445 514 L N 5.538 126.770 121.223 0.016 0.000 2.260 514 L HA 0.260 4.579 4.340 -0.035 0.000 0.289 514 L C -1.145 175.704 176.870 -0.035 0.000 1.057 514 L CA 0.115 55.004 54.840 0.081 0.000 0.811 514 L CB 0.489 42.617 42.059 0.115 0.000 1.184 514 L HN 0.642 nan 8.230 nan 0.000 0.429 515 H N 5.465 124.641 119.070 0.178 0.000 2.638 515 H HA 0.570 5.105 4.556 -0.035 0.000 0.303 515 H C -0.322 175.139 175.328 0.223 0.000 1.034 515 H CA -0.317 55.831 56.048 0.166 0.000 1.225 515 H CB 1.400 31.248 29.762 0.143 0.000 1.394 515 H HN 0.831 nan 8.280 nan 0.000 0.477 516 A N 2.644 125.661 122.820 0.328 0.000 2.279 516 A HA 0.230 4.529 4.320 -0.035 0.000 0.303 516 A C 0.597 178.470 177.584 0.482 0.000 1.108 516 A CA -0.532 51.730 52.037 0.375 0.000 0.830 516 A CB 0.560 19.807 19.000 0.411 0.000 1.106 516 A HN 0.902 nan 8.150 nan 0.000 0.493 517 H N 0.770 120.015 119.070 0.291 0.000 2.535 517 H HA -0.006 4.528 4.556 -0.036 0.000 0.273 517 H C -0.106 175.338 175.328 0.193 0.000 0.983 517 H CA 0.303 56.474 56.048 0.205 0.000 1.238 517 H CB 0.184 30.054 29.762 0.181 0.000 1.412 517 H HN 0.764 nan 8.280 nan 0.000 0.562 518 N N 1.830 120.750 118.700 0.367 0.000 2.754 518 N HA -0.160 4.559 4.740 -0.035 0.000 0.248 518 N C -0.596 175.043 175.510 0.215 0.000 1.093 518 N CA 0.507 53.721 53.050 0.272 0.000 0.699 518 N CB -0.937 37.672 38.487 0.203 0.000 1.016 518 N HN 0.509 nan 8.380 nan 0.000 0.552 519 Q N -0.064 119.879 119.800 0.238 0.000 2.443 519 Q HA 0.335 4.654 4.340 -0.035 0.000 0.232 519 Q C -1.806 174.279 176.000 0.142 0.000 1.026 519 Q CA -0.952 54.959 55.803 0.180 0.000 0.924 519 Q CB 0.117 28.975 28.738 0.200 0.000 1.256 519 Q HN 0.136 nan 8.270 nan 0.000 0.519 520 P HA 0.000 nan 4.420 nan 0.000 0.269 520 P C -0.194 177.137 177.300 0.051 0.000 1.209 520 P CA 0.218 63.361 63.100 0.071 0.000 0.776 520 P CB 0.467 32.199 31.700 0.052 0.000 0.876 521 T N 0.066 114.642 114.554 0.036 0.000 2.891 521 T HA 0.320 4.649 4.350 -0.035 0.000 0.294 521 T C 0.269 174.943 174.700 -0.044 0.000 1.065 521 T CA -0.867 61.233 62.100 0.001 0.000 0.936 521 T CB 0.056 68.934 68.868 0.016 0.000 1.415 521 T HN 0.189 nan 8.240 nan 0.000 0.572 522 L N 0.954 122.124 121.223 -0.088 0.000 2.559 522 L HA 0.192 4.511 4.340 -0.035 0.000 0.274 522 L C 0.776 177.606 176.870 -0.067 0.000 1.205 522 L CA 0.203 54.974 54.840 -0.116 0.000 0.907 522 L CB -0.424 41.536 42.059 -0.164 0.000 1.153 522 L HN 0.657 nan 8.230 nan 0.000 0.490 523 L N 4.996 126.181 121.223 -0.063 0.000 2.307 523 L HA 0.232 4.551 4.340 -0.035 0.000 0.211 523 L C 1.439 178.299 176.870 -0.017 0.000 1.099 523 L CA 0.277 55.100 54.840 -0.028 0.000 0.816 523 L CB -0.524 41.523 42.059 -0.020 0.000 0.952 523 L HN 0.848 nan 8.230 nan 0.000 0.455 524 A N 0.893 123.693 122.820 -0.033 0.000 2.586 524 A HA -0.139 4.160 4.320 -0.035 0.000 0.231 524 A C 0.351 177.934 177.584 -0.002 0.000 1.055 524 A CA 0.016 52.044 52.037 -0.015 0.000 0.756 524 A CB -0.130 18.858 19.000 -0.022 0.000 0.988 524 A HN 0.313 nan 8.150 nan 0.000 0.509 525 D N 2.554 122.961 120.400 0.011 0.000 2.525 525 D HA -0.005 4.614 4.640 -0.035 0.000 0.235 525 D C -1.143 175.164 176.300 0.011 0.000 1.137 525 D CA -0.737 53.272 54.000 0.014 0.000 0.868 525 D CB 0.814 41.627 40.800 0.021 0.000 1.180 525 D HN 0.280 nan 8.370 nan 0.000 0.465 526 P HA -0.071 nan 4.420 nan 0.000 0.221 526 P C 1.023 178.329 177.300 0.011 0.000 1.145 526 P CA 0.792 63.897 63.100 0.008 0.000 0.795 526 P CB 0.085 31.790 31.700 0.008 0.000 0.775 527 G N -0.086 108.722 108.800 0.014 0.000 3.088 527 G HA2 0.032 3.971 3.960 -0.035 0.000 0.212 527 G HA3 0.032 3.971 3.960 -0.035 0.000 0.212 527 G C 0.607 175.520 174.900 0.021 0.000 1.173 527 G CA 0.081 45.189 45.100 0.014 0.000 0.779 527 G HN 0.430 nan 8.290 nan 0.000 0.540 528 S N -0.699 115.017 115.700 0.028 0.000 2.614 528 S HA 0.317 4.766 4.470 -0.035 0.000 0.265 528 S C 1.582 176.205 174.600 0.038 0.000 1.303 528 S CA 0.430 58.659 58.200 0.049 0.000 1.000 528 S CB 1.671 64.904 63.200 0.056 0.000 0.935 528 S HN 0.059 nan 8.310 nan 0.000 0.551 529 S N 0.514 116.248 115.700 0.057 0.000 2.356 529 S HA -0.145 4.304 4.470 -0.035 0.000 0.223 529 S C 1.689 176.294 174.600 0.009 0.000 1.032 529 S CA 1.252 59.437 58.200 -0.026 0.000 1.005 529 S CB -0.806 62.278 63.200 -0.192 0.000 0.867 529 S HN 0.703 nan 8.310 nan 0.000 0.449 530 I N 1.997 122.608 120.570 0.068 0.000 2.361 530 I HA 0.018 4.166 4.170 -0.035 0.000 0.251 530 I C 2.290 178.426 176.117 0.032 0.000 1.133 530 I CA 1.216 62.561 61.300 0.074 0.000 1.413 530 I CB -0.917 37.114 38.000 0.051 0.000 1.073 530 I HN 0.327 nan 8.210 nan 0.000 0.424 531 A N 0.222 123.049 122.820 0.011 0.000 1.972 531 A HA -0.171 4.128 4.320 -0.035 0.000 0.219 531 A C 2.455 180.042 177.584 0.004 0.000 1.169 531 A CA 1.468 53.501 52.037 -0.008 0.000 0.635 531 A CB -0.520 18.478 19.000 -0.002 0.000 0.810 531 A HN 0.447 nan 8.150 nan 0.000 0.446 532 R N -0.975 119.532 120.500 0.011 0.000 2.075 532 R HA 0.043 4.361 4.340 -0.035 0.000 0.226 532 R C 2.366 178.680 176.300 0.023 0.000 1.114 532 R CA 1.132 57.237 56.100 0.008 0.000 0.972 532 R CB -0.194 30.100 30.300 -0.010 0.000 0.869 532 R HN 0.451 nan 8.270 nan 0.000 0.437 533 R N 0.196 120.729 120.500 0.055 0.000 2.119 533 R HA 0.081 4.400 4.340 -0.035 0.000 0.222 533 R C 0.957 177.385 176.300 0.213 0.000 1.088 533 R CA 1.067 57.225 56.100 0.097 0.000 0.984 533 R CB 0.214 30.581 30.300 0.111 0.000 0.884 533 R HN 0.039 nan 8.270 nan 0.000 0.447 534 A N 0.401 123.358 122.820 0.229 0.000 3.106 534 A HA 0.491 4.789 4.320 -0.035 0.000 0.306 534 A C 1.205 178.710 177.584 -0.133 0.000 1.192 534 A CA -0.042 52.087 52.037 0.152 0.000 0.994 534 A CB 0.152 19.139 19.000 -0.021 0.000 1.107 534 A HN 0.270 nan 8.150 nan 0.000 0.585 535 A N 0.503 123.316 122.820 -0.011 0.000 1.948 535 A HA -0.104 4.194 4.320 -0.035 0.000 0.220 535 A C 1.825 179.430 177.584 0.034 0.000 1.177 535 A CA 1.885 53.923 52.037 0.001 0.000 0.636 535 A CB -0.987 18.023 19.000 0.017 0.000 0.815 535 A HN 1.419 nan 8.150 nan 0.000 0.449 536 F N 0.114 119.956 119.950 -0.180 0.000 2.154 536 F HA -0.094 4.412 4.527 -0.036 0.000 0.301 536 F C 2.018 177.917 175.800 0.164 0.000 1.087 536 F CA 1.097 58.936 58.000 -0.268 0.000 1.274 536 F CB -0.927 37.792 39.000 -0.468 0.000 1.009 536 F HN 0.161 nan 8.300 nan 0.000 0.485 537 A N 0.301 122.511 122.820 -1.017 0.000 2.206 537 A HA 0.012 4.311 4.320 -0.035 0.000 0.211 537 A C 2.100 179.551 177.584 -0.221 0.000 1.158 537 A CA 1.184 52.772 52.037 -0.748 0.000 0.761 537 A CB -1.460 16.926 19.000 -1.023 0.000 0.801 537 A HN 0.598 nan 8.150 nan 0.000 0.473 538 T N -3.285 111.230 114.554 -0.064 0.000 3.088 538 T HA 0.168 4.497 4.350 -0.035 0.000 0.259 538 T C 0.641 175.363 174.700 0.038 0.000 1.122 538 T CA 0.326 62.429 62.100 0.004 0.000 1.095 538 T CB 0.048 68.934 68.868 0.030 0.000 0.930 538 T HN 0.137 nan 8.240 nan 0.000 0.508 539 K N 0.883 121.350 120.400 0.112 0.000 2.469 539 K HA 0.359 4.658 4.320 -0.035 0.000 0.254 539 K C -0.614 176.026 176.600 0.066 0.000 0.939 539 K CA -0.448 55.817 56.287 -0.037 0.000 0.812 539 K CB 2.223 34.468 32.500 -0.426 0.000 1.301 539 K HN -0.051 nan 8.250 nan 0.000 0.433 540 D N 0.415 120.819 120.400 0.008 0.000 2.194 540 D HA -0.018 4.601 4.640 -0.035 0.000 0.204 540 D C -0.048 176.287 176.300 0.060 0.000 0.964 540 D CA 0.803 54.861 54.000 0.095 0.000 0.846 540 D CB 0.306 41.211 40.800 0.176 0.000 0.962 540 D HN 0.106 nan 8.370 nan 0.000 0.490 541 L N -0.072 121.022 121.223 -0.215 0.000 2.505 541 L HA 0.424 4.743 4.340 -0.035 0.000 0.266 541 L C -1.995 174.708 176.870 -0.280 0.000 0.954 541 L CA -0.606 54.057 54.840 -0.295 0.000 0.852 541 L CB 1.372 42.801 42.059 -1.050 0.000 1.282 541 L HN -0.123 nan 8.230 nan 0.000 0.403 542 W N 4.400 125.690 121.300 -0.017 0.000 2.736 542 W HA 0.768 5.407 4.660 -0.035 0.000 0.335 542 W C -1.084 175.546 176.519 0.185 0.000 1.059 542 W CA -0.900 56.479 57.345 0.056 0.000 1.226 542 W CB 1.929 31.403 29.460 0.023 0.000 1.416 542 W HN 0.150 nan 8.180 nan 0.000 0.505 543 V N 2.611 122.747 119.914 0.369 0.000 2.483 543 V HA 0.659 4.758 4.120 -0.035 0.000 0.297 543 V C -0.034 176.262 176.094 0.336 0.000 1.027 543 V CA -0.841 61.656 62.300 0.330 0.000 0.855 543 V CB 1.138 33.069 31.823 0.180 0.000 0.995 543 V HN 0.598 nan 8.190 nan 0.000 0.424 544 T N 1.586 116.391 114.554 0.418 0.000 2.942 544 T HA 0.749 5.078 4.350 -0.035 0.000 0.289 544 T C -0.338 174.504 174.700 0.238 0.000 1.044 544 T CA -0.942 61.353 62.100 0.325 0.000 1.023 544 T CB 2.077 71.190 68.868 0.408 0.000 1.123 544 T HN 0.503 nan 8.240 nan 0.000 0.512 545 R N 0.752 121.350 120.500 0.163 0.000 2.491 545 R HA 0.295 4.614 4.340 -0.035 0.000 0.283 545 R C -0.862 175.507 176.300 0.116 0.000 1.072 545 R CA -0.741 55.437 56.100 0.129 0.000 1.048 545 R CB -0.417 29.933 30.300 0.085 0.000 0.983 545 R HN 0.772 nan 8.270 nan 0.000 0.450 546 Y N 3.013 123.319 120.300 0.010 0.000 2.511 546 Y HA 0.378 4.907 4.550 -0.035 0.000 0.332 546 Y C -0.799 175.060 175.900 -0.067 0.000 1.177 546 Y CA 0.419 58.498 58.100 -0.035 0.000 1.422 546 Y CB 0.548 38.970 38.460 -0.064 0.000 1.271 546 Y HN 0.717 nan 8.280 nan 0.000 0.550 547 A N 4.682 126.936 122.820 -0.945 0.000 2.486 547 A HA 0.324 4.622 4.320 -0.035 0.000 0.300 547 A C 0.177 177.100 177.584 -1.101 0.000 1.048 547 A CA -0.311 51.200 52.037 -0.877 0.000 0.696 547 A CB 0.715 19.444 19.000 -0.451 0.000 1.278 547 A HN 0.830 nan 8.150 nan 0.000 0.405 548 D N 1.166 121.109 120.400 -0.762 0.000 2.182 548 D HA -0.193 4.426 4.640 -0.035 0.000 0.201 548 D C 0.575 176.689 176.300 -0.311 0.000 0.986 548 D CA 1.807 55.557 54.000 -0.417 0.000 0.847 548 D CB -0.115 40.598 40.800 -0.144 0.000 0.942 548 D HN 0.557 nan 8.370 nan 0.000 0.467 549 D N -0.215 120.002 120.400 -0.305 0.000 2.328 549 D HA -0.028 4.591 4.640 -0.035 0.000 0.221 549 D C -0.273 175.841 176.300 -0.311 0.000 1.072 549 D CA -0.181 53.678 54.000 -0.234 0.000 0.850 549 D CB -0.673 40.037 40.800 -0.150 0.000 0.922 549 D HN 0.303 nan 8.370 nan 0.000 0.516 550 E N 0.666 120.597 120.200 -0.448 0.000 2.167 550 E HA 0.331 4.660 4.350 -0.035 0.000 0.247 550 E C 0.499 176.933 176.600 -0.276 0.000 0.961 550 E CA -0.293 55.742 56.400 -0.608 0.000 0.797 550 E CB 1.109 30.198 29.700 -1.018 0.000 1.182 550 E HN 0.127 nan 8.360 nan 0.000 0.437 551 R N 1.037 121.352 120.500 -0.308 0.000 2.195 551 R HA 0.124 4.443 4.340 -0.035 0.000 0.197 551 R C -0.098 175.891 176.300 -0.520 0.000 0.990 551 R CA 0.594 56.346 56.100 -0.579 0.000 1.048 551 R CB 0.527 30.137 30.300 -1.150 0.000 0.997 551 R HN 0.284 nan 8.270 nan 0.000 0.502 552 Y N 0.141 120.559 120.300 0.198 0.000 2.462 552 Y HA 0.304 4.833 4.550 -0.035 0.000 0.346 552 Y C -1.834 174.061 175.900 -0.008 0.000 0.976 552 Y CA -3.168 55.002 58.100 0.118 0.000 1.044 552 Y CB 1.297 39.718 38.460 -0.066 0.000 1.230 552 Y HN -0.168 nan 8.280 nan 0.000 0.455 553 P HA -0.073 nan 4.420 nan 0.000 0.230 553 P C 0.660 177.693 177.300 -0.445 0.000 1.158 553 P CA 1.322 64.084 63.100 -0.563 0.000 0.769 553 P CB 0.159 31.425 31.700 -0.723 0.000 0.807 554 T N -4.817 109.579 114.554 -0.263 0.000 3.085 554 T HA 0.506 4.835 4.350 -0.035 0.000 0.264 554 T C 0.906 175.441 174.700 -0.274 0.000 1.019 554 T CA 0.113 62.081 62.100 -0.220 0.000 0.910 554 T CB -0.089 68.687 68.868 -0.153 0.000 1.059 554 T HN 0.323 nan 8.240 nan 0.000 0.542 555 G N 1.454 110.142 108.800 -0.188 0.000 2.757 555 G HA2 -0.169 3.770 3.960 -0.035 0.000 0.638 555 G HA3 -0.169 3.770 3.960 -0.035 0.000 0.638 555 G C -0.192 174.632 174.900 -0.127 0.000 1.344 555 G CA -0.116 44.889 45.100 -0.158 0.000 0.855 555 G HN 0.165 nan 8.290 nan 0.000 0.537 556 D N -0.556 119.703 120.400 -0.236 0.000 2.149 556 D HA 0.071 4.690 4.640 -0.035 0.000 0.201 556 D C 0.885 176.632 176.300 -0.922 0.000 0.972 556 D CA 1.518 55.189 54.000 -0.549 0.000 0.835 556 D CB -0.025 40.248 40.800 -0.878 0.000 0.966 556 D HN 0.238 nan 8.370 nan 0.000 0.476 557 F N 0.173 119.971 119.950 -0.254 0.000 2.434 557 F HA 0.231 4.736 4.527 -0.036 0.000 0.367 557 F C 1.038 176.669 175.800 -0.281 0.000 1.093 557 F CA -0.644 57.193 58.000 -0.272 0.000 1.085 557 F CB 1.470 40.309 39.000 -0.268 0.000 1.322 557 F HN -0.365 nan 8.300 nan 0.000 0.452 558 V N 0.224 120.030 119.914 -0.180 0.000 2.599 558 V HA -0.115 3.984 4.120 -0.035 0.000 0.245 558 V C 1.156 177.115 176.094 -0.224 0.000 1.046 558 V CA 0.516 62.629 62.300 -0.312 0.000 1.065 558 V CB -0.448 31.081 31.823 -0.489 0.000 0.703 558 V HN 0.672 nan 8.190 nan 0.000 0.464 559 N N 1.593 120.214 118.700 -0.132 0.000 2.374 559 N HA -0.080 4.638 4.740 -0.035 0.000 0.269 559 N C 0.497 175.980 175.510 -0.046 0.000 1.310 559 N CA 0.737 53.738 53.050 -0.080 0.000 0.877 559 N CB -0.252 38.193 38.487 -0.070 0.000 1.096 559 N HN 0.467 nan 8.380 nan 0.000 0.484 560 Q N 0.037 119.811 119.800 -0.045 0.000 2.457 560 Q HA -0.307 4.012 4.340 -0.035 0.000 0.283 560 Q C -0.691 175.273 176.000 -0.060 0.000 1.234 560 Q CA 0.824 56.594 55.803 -0.055 0.000 0.877 560 Q CB -1.555 27.152 28.738 -0.053 0.000 1.250 560 Q HN 0.657 nan 8.270 nan 0.000 0.481 561 H N -0.051 118.934 119.070 -0.142 0.000 2.473 561 H HA 0.234 4.769 4.556 -0.036 0.000 0.327 561 H C 1.113 176.354 175.328 -0.145 0.000 1.105 561 H CA 0.546 56.514 56.048 -0.133 0.000 1.280 561 H CB 1.207 30.890 29.762 -0.132 0.000 1.450 561 H HN 0.252 nan 8.280 nan 0.000 0.492 562 S N 2.726 118.098 115.700 -0.547 0.000 2.453 562 S HA 0.170 4.619 4.470 -0.035 0.000 0.231 562 S C 0.994 175.494 174.600 -0.167 0.000 1.005 562 S CA 0.422 58.430 58.200 -0.321 0.000 0.949 562 S CB 0.220 63.216 63.200 -0.340 0.000 0.774 562 S HN 1.004 nan 8.310 nan 0.000 0.510 563 G N -1.382 107.390 108.800 -0.046 0.000 2.326 563 G HA2 0.481 4.420 3.960 -0.035 0.000 0.413 563 G HA3 0.481 4.420 3.960 -0.035 0.000 0.413 563 G C 0.381 175.316 174.900 0.059 0.000 1.444 563 G CA -0.086 45.036 45.100 0.036 0.000 1.002 563 G HN 1.404 nan 8.290 nan 0.000 0.649 564 G N -1.259 107.545 108.800 0.007 0.000 2.212 564 G HA2 0.187 4.125 3.960 -0.035 0.000 0.266 564 G HA3 0.187 4.125 3.960 -0.035 0.000 0.266 564 G C 1.174 176.010 174.900 -0.106 0.000 0.978 564 G CA 1.488 46.565 45.100 -0.038 0.000 0.632 564 G HN 2.517 nan 8.290 nan 0.000 0.537 565 A N -0.251 122.508 122.820 -0.102 0.000 2.386 565 A HA 0.785 5.084 4.320 -0.035 0.000 0.246 565 A C 1.972 179.289 177.584 -0.445 0.000 1.089 565 A CA 1.853 53.733 52.037 -0.263 0.000 0.790 565 A CB 0.026 nan 19.000 nan 0.000 1.042 565 A HN 2.483 nan 8.150 nan 0.000 0.497 566 G N -0.691 107.707 108.800 -0.671 0.000 2.527 566 G HA2 -0.257 3.682 3.960 -0.035 0.000 0.268 566 G HA3 -0.257 3.682 3.960 -0.035 0.000 0.268 566 G C 0.934 174.861 174.900 -1.622 0.000 1.175 566 G CA 0.391 44.783 45.100 -1.179 0.000 0.962 566 G HN 1.172 nan 8.290 nan 0.000 0.560 567 L N 1.963 122.463 121.223 -1.204 0.000 2.010 567 L HA -0.131 4.188 4.340 -0.035 0.000 0.219 567 L C 0.355 176.862 176.870 -0.604 0.000 1.077 567 L CA 2.895 57.118 54.840 -1.028 0.000 0.773 567 L CB -1.260 39.946 42.059 -1.421 0.000 0.892 567 L HN 0.453 nan 8.230 nan 0.000 0.436 568 P HA -0.144 nan 4.420 nan 0.000 0.218 568 P C 1.736 178.954 177.300 -0.137 0.000 1.149 568 P CA 1.762 64.782 63.100 -0.133 0.000 0.817 568 P CB -0.067 31.586 31.700 -0.079 0.000 0.785 569 S N -2.152 113.384 115.700 -0.274 0.000 2.395 569 S HA -0.162 4.287 4.470 -0.035 0.000 0.225 569 S C 1.911 176.492 174.600 -0.031 0.000 1.027 569 S CA 0.726 58.833 58.200 -0.155 0.000 0.965 569 S CB -1.609 61.487 63.200 -0.174 0.000 0.812 569 S HN -0.015 nan 8.310 nan 0.000 0.482 570 Y N 2.286 122.521 120.300 -0.108 0.000 2.114 570 Y HA 0.047 4.576 4.550 -0.035 0.000 0.284 570 Y C 2.589 178.470 175.900 -0.031 0.000 1.143 570 Y CA -0.324 57.721 58.100 -0.091 0.000 1.135 570 Y CB -1.229 37.137 38.460 -0.156 0.000 0.980 570 Y HN 0.188 nan 8.280 nan 0.000 0.499 571 I N 0.243 120.897 120.570 0.139 0.000 2.315 571 I HA -0.302 3.846 4.170 -0.035 0.000 0.251 571 I C 2.432 178.609 176.117 0.100 0.000 1.125 571 I CA 1.556 62.940 61.300 0.140 0.000 1.392 571 I CB -1.609 36.511 38.000 0.200 0.000 1.065 571 I HN 0.191 nan 8.210 nan 0.000 0.424 572 A N -0.053 122.811 122.820 0.073 0.000 2.125 572 A HA -0.211 4.088 4.320 -0.035 0.000 0.219 572 A C 2.128 179.743 177.584 0.052 0.000 1.156 572 A CA 1.045 53.114 52.037 0.053 0.000 0.671 572 A CB -0.553 18.468 19.000 0.033 0.000 0.794 572 A HN 0.544 nan 8.150 nan 0.000 0.459 573 Q N -1.247 118.591 119.800 0.063 0.000 2.364 573 Q HA -0.100 4.218 4.340 -0.035 0.000 0.207 573 Q C 0.080 176.110 176.000 0.049 0.000 0.970 573 Q CA 0.524 56.358 55.803 0.052 0.000 0.888 573 Q CB -0.075 28.694 28.738 0.053 0.000 0.951 573 Q HN 0.617 nan 8.270 nan 0.000 0.469 574 D N 0.715 121.150 120.400 0.059 0.000 2.697 574 D HA -0.173 4.446 4.640 -0.035 0.000 0.238 574 D C -0.973 175.359 176.300 0.052 0.000 1.152 574 D CA 0.607 54.640 54.000 0.055 0.000 0.666 574 D CB -0.561 40.266 40.800 0.044 0.000 1.037 574 D HN 0.200 nan 8.370 nan 0.000 0.423 575 R N 0.448 120.984 120.500 0.060 0.000 2.528 575 R HA 0.348 4.667 4.340 -0.035 0.000 0.271 575 R C 0.142 176.478 176.300 0.060 0.000 1.056 575 R CA -0.734 55.398 56.100 0.054 0.000 1.117 575 R CB 0.522 30.854 30.300 0.053 0.000 1.085 575 R HN 0.168 nan 8.270 nan 0.000 0.530 576 D N 2.152 122.584 120.400 0.053 0.000 2.417 576 D HA 0.007 4.626 4.640 -0.035 0.000 0.250 576 D C 0.472 176.813 176.300 0.067 0.000 1.166 576 D CA 0.067 54.100 54.000 0.055 0.000 0.881 576 D CB 0.566 41.394 40.800 0.047 0.000 1.164 576 D HN 0.544 nan 8.370 nan 0.000 0.467 577 I N -0.150 120.465 120.570 0.074 0.000 3.947 577 I HA 0.344 4.493 4.170 -0.035 0.000 0.327 577 I C 0.075 176.240 176.117 0.080 0.000 1.519 577 I CA -0.554 60.798 61.300 0.086 0.000 1.122 577 I CB 0.489 38.550 38.000 0.103 0.000 1.146 577 I HN 0.053 nan 8.210 nan 0.000 0.442 578 D N 2.829 123.270 120.400 0.068 0.000 2.479 578 D HA 0.392 5.011 4.640 -0.035 0.000 0.218 578 D C 0.971 177.306 176.300 0.059 0.000 1.131 578 D CA 0.338 54.376 54.000 0.063 0.000 0.916 578 D CB 0.526 41.359 40.800 0.054 0.000 1.022 578 D HN 0.540 nan 8.370 nan 0.000 0.515 579 G N 3.321 112.159 108.800 0.064 0.000 2.452 579 G HA2 -0.161 3.778 3.960 -0.035 0.000 0.275 579 G HA3 -0.161 3.778 3.960 -0.035 0.000 0.275 579 G C -0.244 174.696 174.900 0.067 0.000 1.131 579 G CA -0.345 44.792 45.100 0.062 0.000 1.031 579 G HN 0.481 nan 8.290 nan 0.000 0.511 580 Q N -0.798 119.050 119.800 0.080 0.000 2.626 580 Q HA 0.363 4.682 4.340 -0.035 0.000 0.300 580 Q C -1.146 174.919 176.000 0.109 0.000 0.988 580 Q CA -0.930 54.924 55.803 0.085 0.000 0.761 580 Q CB 1.130 29.915 28.738 0.079 0.000 1.494 580 Q HN 0.262 nan 8.270 nan 0.000 0.439 581 D N 1.889 122.353 120.400 0.107 0.000 2.344 581 D HA 0.326 4.945 4.640 -0.035 0.000 0.253 581 D C -0.369 176.018 176.300 0.145 0.000 1.255 581 D CA 0.079 54.151 54.000 0.120 0.000 0.894 581 D CB -0.302 40.497 40.800 -0.002 0.000 1.067 581 D HN 0.434 nan 8.370 nan 0.000 0.492 582 I N 0.057 120.713 120.570 0.144 0.000 3.067 582 I HA 0.706 4.855 4.170 -0.035 0.000 0.312 582 I C -0.994 175.190 176.117 0.112 0.000 1.073 582 I CA -1.100 60.285 61.300 0.142 0.000 1.016 582 I CB 2.208 40.284 38.000 0.126 0.000 1.227 582 I HN -0.072 nan 8.210 nan 0.000 0.456 583 V N 3.288 123.267 119.914 0.108 0.000 2.638 583 V HA 0.438 4.537 4.120 -0.035 0.000 0.306 583 V C -0.213 175.860 176.094 -0.035 0.000 1.052 583 V CA -0.673 61.604 62.300 -0.038 0.000 0.885 583 V CB 1.844 33.590 31.823 -0.129 0.000 0.999 583 V HN 0.572 nan 8.190 nan 0.000 0.424 584 V N 3.388 123.218 119.914 -0.141 0.000 2.427 584 V HA 0.475 4.574 4.120 -0.035 0.000 0.286 584 V C -1.138 174.872 176.094 -0.141 0.000 1.034 584 V CA -0.463 61.820 62.300 -0.028 0.000 0.893 584 V CB 1.634 33.445 31.823 -0.021 0.000 0.982 584 V HN 0.927 nan 8.190 nan 0.000 0.452 585 W N 3.855 125.205 121.300 0.084 0.000 2.393 585 W HA 0.498 5.137 4.660 -0.036 0.000 0.315 585 W C -0.212 176.417 176.519 0.183 0.000 1.009 585 W CA -0.694 56.709 57.345 0.096 0.000 1.313 585 W CB 0.405 29.895 29.460 0.049 0.000 1.269 585 W HN 0.591 nan 8.180 nan 0.000 0.420 586 H N 1.794 120.956 119.070 0.153 0.000 2.556 586 H HA 0.471 5.006 4.556 -0.035 0.000 0.310 586 H C -0.230 175.273 175.328 0.292 0.000 1.057 586 H CA -0.240 55.850 56.048 0.071 0.000 1.264 586 H CB 0.868 30.466 29.762 -0.274 0.000 1.404 586 H HN 0.170 nan 8.280 nan 0.000 0.462 587 T N 7.325 121.893 114.554 0.024 0.000 2.817 587 T HA 0.392 4.721 4.350 -0.035 0.000 0.293 587 T C -0.886 173.703 174.700 -0.184 0.000 0.964 587 T CA -0.140 61.985 62.100 0.042 0.000 1.085 587 T CB -0.349 68.650 68.868 0.217 0.000 0.921 587 T HN 0.502 nan 8.240 nan 0.000 0.502 588 F N -0.016 119.826 119.950 -0.179 0.000 2.628 588 F HA 0.840 5.347 4.527 -0.035 0.000 0.309 588 F C -0.242 175.650 175.800 0.153 0.000 1.108 588 F CA -1.142 56.812 58.000 -0.077 0.000 0.971 588 F CB 1.068 39.991 39.000 -0.128 0.000 1.279 588 F HN 0.780 nan 8.300 nan 0.000 0.441 589 G N 1.781 110.694 108.800 0.188 0.000 2.606 589 G HA2 0.599 4.537 3.960 -0.035 0.000 0.300 589 G HA3 0.599 4.537 3.960 -0.035 0.000 0.300 589 G C -2.469 172.543 174.900 0.187 0.000 1.360 589 G CA -1.153 44.062 45.100 0.192 0.000 0.783 589 G HN 0.829 nan 8.290 nan 0.000 0.484 590 L N 0.812 122.146 121.223 0.185 0.000 2.307 590 L HA 0.513 4.831 4.340 -0.035 0.000 0.284 590 L C -0.109 176.785 176.870 0.039 0.000 1.023 590 L CA -0.619 54.296 54.840 0.124 0.000 0.810 590 L CB 2.162 44.310 42.059 0.148 0.000 1.231 590 L HN 0.416 nan 8.230 nan 0.000 0.423 591 T N 1.321 115.850 114.554 -0.042 0.000 2.749 591 T HA 0.234 4.563 4.350 -0.035 0.000 0.287 591 T C -0.608 173.918 174.700 -0.290 0.000 0.970 591 T CA -0.183 61.791 62.100 -0.210 0.000 0.980 591 T CB 0.201 68.963 68.868 -0.177 0.000 0.924 591 T HN 0.429 nan 8.240 nan 0.000 0.456 592 H N 2.958 121.642 119.070 -0.642 0.000 2.638 592 H HA 0.393 4.928 4.556 -0.034 0.000 0.317 592 H C -1.143 173.724 175.328 -0.769 0.000 1.006 592 H CA -1.131 54.574 56.048 -0.571 0.000 1.222 592 H CB 0.325 29.756 29.762 -0.552 0.000 1.419 592 H HN 0.460 nan 8.280 nan 0.000 0.489 593 F N 6.726 126.630 119.950 -0.076 0.000 2.303 593 F HA 0.280 4.785 4.527 -0.036 0.000 0.368 593 F C -2.030 173.795 175.800 0.042 0.000 1.105 593 F CA -2.392 55.448 58.000 -0.267 0.000 1.153 593 F CB 0.615 39.323 39.000 -0.488 0.000 1.362 593 F HN 0.493 nan 8.300 nan 0.000 0.511 594 P HA 0.092 nan 4.420 nan 0.000 0.268 594 P C -0.461 176.971 177.300 0.220 0.000 1.208 594 P CA -0.215 62.955 63.100 0.116 0.000 0.777 594 P CB 0.594 32.300 31.700 0.010 0.000 0.875 595 R N 1.391 122.029 120.500 0.231 0.000 2.832 595 R HA 0.438 4.756 4.340 -0.035 0.000 0.271 595 R C 0.566 176.961 176.300 0.158 0.000 0.996 595 R CA -0.837 55.363 56.100 0.168 0.000 0.977 595 R CB 0.635 31.026 30.300 0.152 0.000 1.168 595 R HN 0.180 nan 8.270 nan 0.000 0.482 596 V N 1.278 121.260 119.914 0.113 0.000 2.469 596 V HA -0.231 3.868 4.120 -0.035 0.000 0.251 596 V C 1.320 177.518 176.094 0.172 0.000 1.064 596 V CA 2.231 64.608 62.300 0.128 0.000 1.066 596 V CB -0.497 31.371 31.823 0.076 0.000 0.667 596 V HN 0.881 nan 8.190 nan 0.000 0.461 597 E N -0.065 120.216 120.200 0.134 0.000 2.409 597 E HA -0.137 4.191 4.350 -0.035 0.000 0.198 597 E C 1.630 178.309 176.600 0.132 0.000 1.024 597 E CA 1.048 57.516 56.400 0.114 0.000 0.861 597 E CB -0.191 29.556 29.700 0.080 0.000 0.788 597 E HN 0.652 nan 8.360 nan 0.000 0.521 598 D N -0.851 119.665 120.400 0.193 0.000 2.347 598 D HA -0.081 4.538 4.640 -0.035 0.000 0.215 598 D C -0.217 176.234 176.300 0.250 0.000 0.976 598 D CA 0.348 54.479 54.000 0.219 0.000 0.884 598 D CB 0.093 41.079 40.800 0.310 0.000 0.915 598 D HN 0.231 nan 8.370 nan 0.000 0.526 599 W N 2.343 123.676 121.300 0.056 0.000 2.520 599 W HA 0.221 4.858 4.660 -0.038 0.000 0.323 599 W C -2.019 174.534 176.519 0.055 0.000 1.062 599 W CA -1.960 55.418 57.345 0.054 0.000 1.215 599 W CB 2.104 31.594 29.460 0.051 0.000 1.340 599 W HN -0.176 nan 8.180 nan 0.000 0.516 600 P HA 0.150 nan 4.420 nan 0.000 0.257 600 P C -0.145 176.741 177.300 -0.689 0.000 1.241 600 P CA 0.593 62.799 63.100 -1.490 0.000 0.816 600 P CB 1.539 32.623 31.700 -1.026 0.000 1.150 601 I N -0.635 119.690 120.570 -0.407 0.000 2.656 601 I HA 0.355 4.504 4.170 -0.035 0.000 0.292 601 I C -0.984 175.011 176.117 -0.203 0.000 1.144 601 I CA -1.605 59.454 61.300 -0.401 0.000 1.038 601 I CB 2.770 40.283 38.000 -0.812 0.000 1.244 601 I HN -0.298 nan 8.210 nan 0.000 0.420 602 M N 8.985 128.511 119.600 -0.122 0.000 2.162 602 M HA 0.436 4.895 4.480 -0.035 0.000 0.356 602 M C -2.413 173.861 176.300 -0.043 0.000 1.303 602 M CA -1.397 53.894 55.300 -0.016 0.000 1.116 602 M CB 0.955 33.582 32.600 0.046 0.000 1.632 602 M HN 0.283 nan 8.290 nan 0.000 0.469 603 P HA 0.059 nan 4.420 nan 0.000 0.271 603 P C -0.877 176.411 177.300 -0.020 0.000 1.218 603 P CA -0.430 62.655 63.100 -0.026 0.000 0.780 603 P CB 0.496 32.187 31.700 -0.014 0.000 0.901 604 V N 3.344 123.249 119.914 -0.014 0.000 2.644 604 V HA -0.065 4.034 4.120 -0.035 0.000 0.305 604 V C 0.696 176.770 176.094 -0.033 0.000 1.053 604 V CA 1.132 63.428 62.300 -0.006 0.000 1.186 604 V CB -0.117 31.718 31.823 0.020 0.000 0.895 604 V HN 0.591 nan 8.190 nan 0.000 0.490 605 D N 2.446 122.813 120.400 -0.055 0.000 2.374 605 D HA 0.722 5.341 4.640 -0.035 0.000 0.239 605 D C -0.206 176.053 176.300 -0.068 0.000 0.991 605 D CA -0.171 53.786 54.000 -0.071 0.000 0.960 605 D CB 2.237 42.965 40.800 -0.119 0.000 1.284 605 D HN 0.721 nan 8.370 nan 0.000 0.512 606 T N -1.721 112.800 114.554 -0.055 0.000 2.906 606 T HA 0.739 5.068 4.350 -0.035 0.000 0.295 606 T C -0.910 173.785 174.700 -0.007 0.000 1.061 606 T CA -0.785 61.275 62.100 -0.066 0.000 1.000 606 T CB 1.472 70.297 68.868 -0.072 0.000 1.103 606 T HN 0.226 nan 8.240 nan 0.000 0.486 607 V N -0.039 119.850 119.914 -0.041 0.000 3.242 607 V HA 0.926 5.024 4.120 -0.035 0.000 0.298 607 V C -0.227 175.807 176.094 -0.098 0.000 1.352 607 V CA 0.528 62.868 62.300 0.067 0.000 1.052 607 V CB 1.797 33.719 31.823 0.164 0.000 1.101 607 V HN 1.714 nan 8.190 nan 0.000 0.446 608 G N 2.286 110.889 108.800 -0.329 0.000 2.335 608 G HA2 0.665 4.604 3.960 -0.035 0.000 0.291 608 G HA3 0.665 4.604 3.960 -0.035 0.000 0.291 608 G C -1.572 172.735 174.900 -0.989 0.000 1.261 608 G CA 0.171 44.861 45.100 -0.682 0.000 0.871 608 G HN 1.932 nan 8.290 nan 0.000 0.491 609 F N -1.126 118.436 119.950 -0.647 0.000 2.773 609 F HA 0.877 5.382 4.527 -0.036 0.000 0.314 609 F C -0.966 174.803 175.800 -0.052 0.000 1.160 609 F CA -1.013 56.793 58.000 -0.323 0.000 0.920 609 F CB 1.626 40.458 39.000 -0.279 0.000 1.323 609 F HN 0.828 nan 8.300 nan 0.000 0.457 610 K N 1.006 121.565 120.400 0.266 0.000 2.533 610 K HA 0.846 5.145 4.320 -0.035 0.000 0.272 610 K C -2.452 174.387 176.600 0.399 0.000 0.985 610 K CA -1.021 55.410 56.287 0.240 0.000 0.876 610 K CB 2.652 35.252 32.500 0.167 0.000 1.452 610 K HN 0.742 nan 8.250 nan 0.000 0.439 611 L N 1.416 122.871 121.223 0.387 0.000 2.385 611 L HA 0.565 4.884 4.340 -0.035 0.000 0.273 611 L C -0.601 176.544 176.870 0.459 0.000 0.990 611 L CA -0.529 54.571 54.840 0.433 0.000 0.821 611 L CB 2.087 44.412 42.059 0.444 0.000 1.279 611 L HN 0.588 nan 8.230 nan 0.000 0.412 612 R N 3.076 123.778 120.500 0.337 0.000 2.637 612 R HA 0.549 4.868 4.340 -0.035 0.000 0.291 612 R C -2.537 173.537 176.300 -0.377 0.000 0.963 612 R CA -1.931 54.233 56.100 0.106 0.000 0.901 612 R CB 1.650 32.037 30.300 0.146 0.000 1.160 612 R HN 0.292 nan 8.270 nan 0.000 0.457 613 P HA -0.062 nan 4.420 nan 0.000 0.265 613 P C -0.718 176.385 177.300 -0.328 0.000 1.187 613 P CA 0.256 62.767 63.100 -0.980 0.000 0.766 613 P CB 0.696 32.136 31.700 -0.434 0.000 0.820 614 E N 2.098 122.163 120.200 -0.224 0.000 2.914 614 E HA 0.439 4.768 4.350 -0.035 0.000 0.246 614 E C 0.684 177.283 176.600 -0.002 0.000 1.146 614 E CA -0.325 56.040 56.400 -0.058 0.000 0.803 614 E CB -0.570 29.112 29.700 -0.031 0.000 1.409 614 E HN 0.653 nan 8.360 nan 0.000 0.392 615 G N 3.173 111.984 108.800 0.018 0.000 2.160 615 G HA2 -0.369 3.570 3.960 -0.035 0.000 0.251 615 G HA3 -0.369 3.570 3.960 -0.035 0.000 0.251 615 G C 0.542 175.448 174.900 0.010 0.000 1.008 615 G CA 0.440 45.552 45.100 0.021 0.000 0.724 615 G HN 0.538 nan 8.290 nan 0.000 0.514 616 F N 0.036 119.872 119.950 -0.190 0.000 2.187 616 F HA 0.458 4.964 4.527 -0.035 0.000 0.295 616 F C 1.337 176.868 175.800 -0.448 0.000 1.091 616 F CA 0.620 58.409 58.000 -0.351 0.000 1.308 616 F CB 0.023 38.700 39.000 -0.540 0.000 1.030 616 F HN 0.107 nan 8.300 nan 0.000 0.487 617 F N 0.354 120.322 119.950 0.031 0.000 2.411 617 F HA 0.231 4.737 4.527 -0.035 0.000 0.324 617 F C 1.407 177.166 175.800 -0.068 0.000 1.086 617 F CA -0.684 57.282 58.000 -0.057 0.000 1.028 617 F CB 0.224 39.202 39.000 -0.036 0.000 1.284 617 F HN -0.284 nan 8.300 nan 0.000 0.501 618 D N -0.141 120.349 120.400 0.150 0.000 2.350 618 D HA 0.095 4.714 4.640 -0.035 0.000 0.213 618 D C 0.241 176.571 176.300 0.051 0.000 1.031 618 D CA 0.540 54.575 54.000 0.058 0.000 0.861 618 D CB 0.327 41.144 40.800 0.029 0.000 0.926 618 D HN 0.502 nan 8.370 nan 0.000 0.520 619 R N -2.227 118.316 120.500 0.072 0.000 2.832 619 R HA 0.224 4.542 4.340 -0.035 0.000 0.283 619 R C -0.647 175.656 176.300 0.004 0.000 0.998 619 R CA -0.759 55.357 56.100 0.027 0.000 0.843 619 R CB 0.283 30.585 30.300 0.004 0.000 1.332 619 R HN -0.182 nan 8.270 nan 0.000 0.490 620 S N 1.131 116.813 115.700 -0.031 0.000 2.642 620 S HA 0.046 4.495 4.470 -0.035 0.000 0.308 620 S C -1.233 173.267 174.600 -0.167 0.000 1.255 620 S CA -0.689 57.462 58.200 -0.082 0.000 1.057 620 S CB 0.398 63.569 63.200 -0.049 0.000 0.785 620 S HN 0.494 nan 8.310 nan 0.000 0.500 621 P HA 0.088 nan 4.420 nan 0.000 0.249 621 P C 0.523 177.708 177.300 -0.192 0.000 1.229 621 P CA 0.307 63.116 63.100 -0.484 0.000 0.788 621 P CB -0.216 30.720 31.700 -1.273 0.000 1.072 622 V N -4.366 115.489 119.914 -0.099 0.000 3.085 622 V HA 0.226 4.325 4.120 -0.035 0.000 0.345 622 V C 1.653 177.766 176.094 0.033 0.000 1.397 622 V CA -0.136 62.157 62.300 -0.011 0.000 1.165 622 V CB -0.838 31.002 31.823 0.030 0.000 1.153 622 V HN -0.133 nan 8.190 nan 0.000 0.495 623 L N 1.445 122.679 121.223 0.018 0.000 2.265 623 L HA -0.054 4.264 4.340 -0.035 0.000 0.215 623 L C 2.121 179.029 176.870 0.063 0.000 1.117 623 L CA 1.890 56.762 54.840 0.053 0.000 0.782 623 L CB -0.339 41.730 42.059 0.017 0.000 0.914 623 L HN 0.604 nan 8.230 nan 0.000 0.441 624 D N -1.089 119.329 120.400 0.030 0.000 2.340 624 D HA 0.012 4.630 4.640 -0.035 0.000 0.217 624 D C 0.626 176.933 176.300 0.011 0.000 1.081 624 D CA -0.067 53.945 54.000 0.020 0.000 0.842 624 D CB -0.324 40.477 40.800 0.002 0.000 0.934 624 D HN -0.023 nan 8.370 nan 0.000 0.511 625 V N 2.936 122.862 119.914 0.019 0.000 2.585 625 V HA 0.166 4.265 4.120 -0.035 0.000 0.296 625 V C -1.620 174.475 176.094 0.002 0.000 1.035 625 V CA -0.862 61.441 62.300 0.004 0.000 1.084 625 V CB 0.688 32.520 31.823 0.015 0.000 0.953 625 V HN 0.204 nan 8.190 nan 0.000 0.483 626 P HA 0.379 nan 4.420 nan 0.000 0.278 626 P C -0.590 176.681 177.300 -0.049 0.000 1.258 626 P CA -0.536 62.553 63.100 -0.019 0.000 0.811 626 P CB 0.970 32.662 31.700 -0.014 0.000 1.063 627 A N 0.779 123.562 122.820 -0.061 0.000 2.498 627 A HA 0.366 4.665 4.320 -0.035 0.000 0.239 627 A C 1.130 178.682 177.584 -0.052 0.000 1.068 627 A CA 0.350 52.335 52.037 -0.087 0.000 0.766 627 A CB -1.423 17.533 19.000 -0.073 0.000 1.003 627 A HN 0.851 nan 8.150 nan 0.000 0.497 628 N N 0.000 118.668 118.700 -0.053 0.000 1.763 628 N HA 0.000 4.719 4.740 -0.035 0.000 0.220 628 N CA 0.000 53.035 53.050 -0.025 0.000 0.885 628 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667