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 2qjm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKITAARVII TCPGRNFVTL KIETDQGVYG IGDATLNGRE LSVVAYLQEH DATA SEQUENCE VAPCLIGMDP RRIEDIWQYV YRGAYWRRGP VTMRAIAAVD MALWDIKAKM DATA SEQUENCE AGMPLYQLLG GRSRDGIMVY GHANGSDIAE TVEAVGHYID MGYKAIRAQT DATA SEQUENCE GVPGIXXXXX XXXXXXXXXX XXXSLPSVTG WDTRKALNYV PKLFEELRKT DATA SEQUENCE YGFDHHLLHD GHHRYTPQEA ANLGKMLEPY QLFWLEDCTP AENQEAFRLV DATA SEQUENCE RQHTVTPLAV GEIFNTIWDA EDLIQNQLID YIRATVVGAG GLTHLRRIAD DATA SEQUENCE LASLYQVRTG CHGATDLSPV TMGCALHFDT WVPNFGIQEY MRHTEETDAV DATA SEQUENCE FPHDYWFEKG ELFVGETPGH GVDIDEELAA KYPYKPAYLP VARLEDGTMW DATA SEQUENCE NW 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.286 176.300 -0.023 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.026 0.000 1.302 2 K N 3.961 124.351 120.400 -0.017 0.000 2.477 2 K HA 0.649 4.969 4.320 -0.000 0.000 0.255 2 K C -1.361 175.233 176.600 -0.011 0.000 0.952 2 K CA -0.837 55.439 56.287 -0.019 0.000 0.826 2 K CB 2.720 35.210 32.500 -0.016 0.000 1.331 2 K HN 0.614 nan 8.250 nan 0.000 0.437 3 I N 2.139 122.700 120.570 -0.014 0.000 2.416 3 I HA 0.001 4.170 4.170 -0.000 0.000 0.288 3 I C 1.343 177.461 176.117 0.000 0.000 1.051 3 I CA 0.142 61.441 61.300 -0.003 0.000 1.375 3 I CB 1.167 39.163 38.000 -0.008 0.000 1.407 3 I HN 0.850 nan 8.210 nan 0.000 0.516 4 T N 2.022 116.582 114.554 0.010 0.000 3.014 4 T HA 0.515 4.865 4.350 -0.000 0.000 0.250 4 T C 0.358 175.063 174.700 0.009 0.000 1.060 4 T CA -0.001 62.104 62.100 0.008 0.000 1.040 4 T CB 0.475 69.350 68.868 0.011 0.000 0.971 4 T HN 0.648 nan 8.240 nan 0.000 0.497 5 A N 0.110 122.939 122.820 0.015 0.000 2.594 5 A HA 0.798 5.117 4.320 -0.000 0.000 0.296 5 A C -1.430 176.169 177.584 0.026 0.000 1.056 5 A CA -0.565 51.481 52.037 0.015 0.000 0.693 5 A CB 0.794 19.799 19.000 0.008 0.000 1.278 5 A HN 0.965 nan 8.150 nan 0.000 0.408 6 A N 2.070 124.906 122.820 0.027 0.000 2.702 6 A HA 0.678 4.998 4.320 -0.000 0.000 0.305 6 A C -0.262 177.345 177.584 0.038 0.000 1.213 6 A CA -0.431 51.631 52.037 0.042 0.000 0.745 6 A CB 0.471 19.499 19.000 0.047 0.000 1.161 6 A HN 0.717 nan 8.150 nan 0.000 0.445 7 R N 0.760 121.282 120.500 0.036 0.000 2.540 7 R HA 0.637 4.977 4.340 -0.000 0.000 0.287 7 R C -0.850 175.479 176.300 0.049 0.000 0.980 7 R CA -0.679 55.439 56.100 0.030 0.000 0.966 7 R CB 2.105 32.412 30.300 0.012 0.000 1.106 7 R HN 0.361 nan 8.270 nan 0.000 0.480 8 V N 4.623 124.565 119.914 0.046 0.000 2.435 8 V HA 0.411 4.531 4.120 -0.000 0.000 0.290 8 V C -0.007 176.123 176.094 0.060 0.000 1.030 8 V CA -0.541 61.797 62.300 0.063 0.000 0.881 8 V CB 1.459 33.315 31.823 0.055 0.000 0.983 8 V HN 0.579 nan 8.190 nan 0.000 0.445 9 I N 5.917 126.539 120.570 0.087 0.000 2.436 9 I HA 0.523 4.693 4.170 -0.000 0.000 0.289 9 I C -0.626 175.568 176.117 0.128 0.000 1.010 9 I CA -0.332 61.022 61.300 0.089 0.000 1.098 9 I CB 1.867 39.917 38.000 0.085 0.000 1.266 9 I HN 0.414 nan 8.210 nan 0.000 0.434 10 I N 4.921 125.559 120.570 0.114 0.000 2.404 10 I HA 0.532 4.702 4.170 -0.000 0.000 0.293 10 I C -0.048 176.179 176.117 0.183 0.000 0.992 10 I CA -0.307 61.084 61.300 0.151 0.000 1.149 10 I CB 2.090 40.145 38.000 0.091 0.000 1.315 10 I HN 0.503 nan 8.210 nan 0.000 0.446 11 T N 4.167 118.869 114.554 0.247 0.000 2.868 11 T HA 0.360 4.710 4.350 -0.000 0.000 0.306 11 T C -1.584 173.271 174.700 0.257 0.000 1.224 11 T CA -0.407 61.843 62.100 0.250 0.000 1.012 11 T CB 1.670 70.671 68.868 0.221 0.000 1.221 11 T HN 0.715 nan 8.240 nan 0.000 0.499 12 C N 6.521 125.953 119.300 0.220 0.000 3.335 12 C HA 0.573 5.033 4.460 -0.000 0.000 0.217 12 C C -2.526 172.481 174.990 0.029 0.000 1.330 12 C CA -1.479 57.597 59.018 0.096 0.000 1.470 12 C CB -0.000 27.761 27.740 0.035 0.000 1.806 12 C HN 0.638 nan 8.230 nan 0.000 0.468 13 P HA 0.338 nan 4.420 nan 0.000 0.219 13 P C 0.835 178.047 177.300 -0.147 0.000 1.847 13 P CA 1.093 63.924 63.100 -0.449 0.000 1.059 13 P CB 0.134 31.484 31.700 -0.584 0.000 1.900 14 G N 2.203 110.947 108.800 -0.093 0.000 2.307 14 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.210 14 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.210 14 G C 0.098 174.951 174.900 -0.080 0.000 1.005 14 G CA 0.050 45.128 45.100 -0.037 0.000 0.634 14 G HN 0.767 nan 8.290 nan 0.000 0.496 15 R N -1.024 119.372 120.500 -0.174 0.000 2.829 15 R HA 0.494 4.834 4.340 -0.000 0.000 0.283 15 R C -1.390 174.614 176.300 -0.494 0.000 1.013 15 R CA -0.853 55.056 56.100 -0.318 0.000 0.848 15 R CB -0.233 29.852 30.300 -0.359 0.000 1.291 15 R HN 0.037 nan 8.270 nan 0.000 0.496 16 N N 0.447 118.894 118.700 -0.422 0.000 2.513 16 N HA 0.324 5.064 4.740 -0.000 0.000 0.268 16 N C -1.211 174.022 175.510 -0.462 0.000 1.180 16 N CA 0.453 53.347 53.050 -0.259 0.000 0.948 16 N CB 0.269 38.746 38.487 -0.015 0.000 1.083 16 N HN 0.286 nan 8.380 nan 0.000 0.455 17 F N 0.077 120.123 119.950 0.160 0.000 2.574 17 F HA 0.322 4.849 4.527 -0.000 0.000 0.313 17 F C -0.234 175.672 175.800 0.177 0.000 1.130 17 F CA -0.858 57.228 58.000 0.144 0.000 0.936 17 F CB 1.367 40.474 39.000 0.179 0.000 1.219 17 F HN -0.012 nan 8.300 nan 0.000 0.445 18 V N 2.490 122.603 119.914 0.330 0.000 2.459 18 V HA 0.721 4.841 4.120 -0.000 0.000 0.295 18 V C -0.327 175.898 176.094 0.218 0.000 1.029 18 V CA -0.446 61.992 62.300 0.230 0.000 0.874 18 V CB 1.997 33.908 31.823 0.147 0.000 0.985 18 V HN 0.832 nan 8.190 nan 0.000 0.438 19 T N 5.417 120.104 114.554 0.221 0.000 2.893 19 T HA 0.668 5.018 4.350 -0.000 0.000 0.291 19 T C -1.027 173.772 174.700 0.166 0.000 1.028 19 T CA -0.433 61.795 62.100 0.213 0.000 0.995 19 T CB 1.898 70.960 68.868 0.322 0.000 1.051 19 T HN 0.433 nan 8.240 nan 0.000 0.470 20 L N 2.440 123.759 121.223 0.159 0.000 2.341 20 L HA 0.700 5.040 4.340 -0.000 0.000 0.278 20 L C -0.557 176.403 176.870 0.149 0.000 1.005 20 L CA -0.470 54.452 54.840 0.137 0.000 0.818 20 L CB 1.307 43.446 42.059 0.133 0.000 1.259 20 L HN 0.552 nan 8.230 nan 0.000 0.418 21 K N 5.833 126.302 120.400 0.115 0.000 2.394 21 K HA 0.554 4.874 4.320 -0.000 0.000 0.260 21 K C -1.380 175.279 176.600 0.098 0.000 0.967 21 K CA -0.448 55.906 56.287 0.112 0.000 0.855 21 K CB 0.930 33.449 32.500 0.031 0.000 1.101 21 K HN 0.687 nan 8.250 nan 0.000 0.433 22 I N 4.150 124.801 120.570 0.135 0.000 2.312 22 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 22 I C -0.121 176.073 176.117 0.129 0.000 1.008 22 I CA -0.526 60.839 61.300 0.109 0.000 1.226 22 I CB 1.515 39.575 38.000 0.100 0.000 1.371 22 I HN 0.588 nan 8.210 nan 0.000 0.468 23 E N 4.240 124.492 120.200 0.087 0.000 2.202 23 E HA 0.481 4.831 4.350 -0.000 0.000 0.272 23 E C -0.443 176.197 176.600 0.067 0.000 0.951 23 E CA -0.642 55.816 56.400 0.096 0.000 0.813 23 E CB 2.153 31.883 29.700 0.050 0.000 1.151 23 E HN 0.620 nan 8.360 nan 0.000 0.398 24 T N -1.859 112.738 114.554 0.071 0.000 2.930 24 T HA 0.156 4.506 4.350 -0.000 0.000 0.290 24 T C 0.538 175.257 174.700 0.031 0.000 1.052 24 T CA -0.878 61.245 62.100 0.038 0.000 1.017 24 T CB 1.257 70.141 68.868 0.027 0.000 1.137 24 T HN 0.461 nan 8.240 nan 0.000 0.511 25 D N -0.237 120.172 120.400 0.016 0.000 2.378 25 D HA -0.127 4.512 4.640 -0.000 0.000 0.222 25 D C 1.386 177.693 176.300 0.012 0.000 0.980 25 D CA 0.550 54.557 54.000 0.012 0.000 0.907 25 D CB -0.056 40.746 40.800 0.004 0.000 0.899 25 D HN 0.519 nan 8.370 nan 0.000 0.527 26 Q N 0.066 119.874 119.800 0.013 0.000 2.376 26 Q HA 0.119 4.458 4.340 -0.000 0.000 0.206 26 Q C 1.362 177.373 176.000 0.019 0.000 0.921 26 Q CA 1.414 57.222 55.803 0.009 0.000 0.911 26 Q CB 0.419 29.156 28.738 -0.001 0.000 1.032 26 Q HN 0.416 nan 8.270 nan 0.000 0.510 27 G N 0.194 109.016 108.800 0.038 0.000 2.561 27 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.203 27 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.203 27 G C 0.101 175.056 174.900 0.092 0.000 1.101 27 G CA 0.053 45.190 45.100 0.063 0.000 0.711 27 G HN 0.334 nan 8.290 nan 0.000 0.511 28 V N 2.861 122.793 119.914 0.029 0.000 2.901 28 V HA 0.506 4.626 4.120 -0.000 0.000 0.307 28 V C 0.270 176.391 176.094 0.045 0.000 1.084 28 V CA 0.874 63.153 62.300 -0.034 0.000 1.184 28 V CB 0.277 32.056 31.823 -0.072 0.000 0.941 28 V HN 1.346 nan 8.190 nan 0.000 0.493 29 Y N 3.472 123.772 120.300 -0.000 0.000 2.638 29 Y HA 0.940 5.490 4.550 -0.000 0.000 0.339 29 Y C -0.162 175.743 175.900 0.008 0.000 1.084 29 Y CA -0.924 57.182 58.100 0.010 0.000 1.068 29 Y CB 1.549 40.023 38.460 0.023 0.000 1.294 29 Y HN 0.845 nan 8.280 nan 0.000 0.480 30 G N 0.956 109.935 108.800 0.298 0.000 2.659 30 G HA2 0.635 4.595 3.960 -0.000 0.000 0.296 30 G HA3 0.635 4.595 3.960 -0.000 0.000 0.296 30 G C -1.810 173.271 174.900 0.302 0.000 1.369 30 G CA -1.014 44.206 45.100 0.199 0.000 0.937 30 G HN 1.157 nan 8.290 nan 0.000 0.485 31 I N -0.952 119.817 120.570 0.332 0.000 2.689 31 I HA 0.974 5.144 4.170 -0.000 0.000 0.299 31 I C 0.030 176.363 176.117 0.360 0.000 1.059 31 I CA -1.232 60.273 61.300 0.341 0.000 1.055 31 I CB 2.617 40.838 38.000 0.367 0.000 1.243 31 I HN 0.742 nan 8.210 nan 0.000 0.425 32 G N 2.141 111.088 108.800 0.245 0.000 2.612 32 G HA2 0.417 4.377 3.960 -0.000 0.000 0.298 32 G HA3 0.417 4.377 3.960 -0.000 0.000 0.298 32 G C -2.082 172.892 174.900 0.123 0.000 1.336 32 G CA -0.407 44.805 45.100 0.187 0.000 0.953 32 G HN 0.707 nan 8.290 nan 0.000 0.482 33 D N -0.055 120.381 120.400 0.061 0.000 2.255 33 D HA 0.575 5.215 4.640 -0.000 0.000 0.249 33 D C 0.584 176.932 176.300 0.079 0.000 1.078 33 D CA 0.087 54.107 54.000 0.032 0.000 0.896 33 D CB 1.727 42.499 40.800 -0.046 0.000 1.194 33 D HN 0.496 nan 8.370 nan 0.000 0.429 34 A N 2.461 125.340 122.820 0.099 0.000 2.630 34 A HA 0.200 4.520 4.320 -0.000 0.000 0.287 34 A C 0.321 177.968 177.584 0.106 0.000 1.040 34 A CA -0.384 51.713 52.037 0.100 0.000 0.971 34 A CB -0.061 19.002 19.000 0.106 0.000 1.241 34 A HN 0.448 nan 8.150 nan 0.000 0.558 35 T N 1.224 115.857 114.554 0.131 0.000 2.817 35 T HA 0.361 4.711 4.350 -0.000 0.000 0.295 35 T C -0.502 174.272 174.700 0.124 0.000 0.958 35 T CA 0.630 62.823 62.100 0.155 0.000 1.157 35 T CB 0.648 69.667 68.868 0.252 0.000 0.898 35 T HN 0.307 nan 8.240 nan 0.000 0.536 36 L N 5.017 126.299 121.223 0.098 0.000 2.366 36 L HA 0.423 4.763 4.340 -0.000 0.000 0.266 36 L C -0.174 176.741 176.870 0.075 0.000 1.010 36 L CA -0.744 54.146 54.840 0.083 0.000 0.879 36 L CB 0.872 42.965 42.059 0.057 0.000 1.228 36 L HN 0.419 nan 8.230 nan 0.000 0.439 37 N N 3.610 122.362 118.700 0.087 0.000 2.374 37 N HA 0.256 4.996 4.740 -0.000 0.000 0.269 37 N C 1.270 176.806 175.510 0.043 0.000 1.310 37 N CA 1.719 54.806 53.050 0.062 0.000 0.877 37 N CB 0.542 39.087 38.487 0.097 0.000 1.096 37 N HN 0.910 nan 8.380 nan 0.000 0.484 38 G N 3.646 112.443 108.800 -0.005 0.000 2.217 38 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.246 38 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.246 38 G C 0.565 175.453 174.900 -0.019 0.000 0.990 38 G CA 0.070 45.148 45.100 -0.036 0.000 0.627 38 G HN 0.609 nan 8.290 nan 0.000 0.522 39 R N -0.234 120.275 120.500 0.016 0.000 2.582 39 R HA 0.285 4.624 4.340 -0.000 0.000 0.453 39 R C 1.245 177.560 176.300 0.025 0.000 0.969 39 R CA 0.394 56.511 56.100 0.028 0.000 1.113 39 R CB 0.145 30.471 30.300 0.044 0.000 1.507 39 R HN 0.392 nan 8.270 nan 0.000 0.587 40 E N 1.022 121.241 120.200 0.032 0.000 2.108 40 E HA -0.175 4.175 4.350 -0.000 0.000 0.203 40 E C 1.557 178.142 176.600 -0.026 0.000 1.022 40 E CA 1.415 57.834 56.400 0.031 0.000 0.823 40 E CB -0.151 29.603 29.700 0.090 0.000 0.744 40 E HN 0.240 nan 8.360 nan 0.000 0.456 41 L N 0.260 121.427 121.223 -0.093 0.000 2.376 41 L HA -0.063 4.277 4.340 -0.000 0.000 0.219 41 L C 2.355 179.209 176.870 -0.027 0.000 1.133 41 L CA 0.634 55.398 54.840 -0.126 0.000 0.816 41 L CB -0.327 41.605 42.059 -0.212 0.000 0.933 41 L HN 0.132 nan 8.230 nan 0.000 0.449 42 S N -0.062 115.644 115.700 0.011 0.000 2.383 42 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 42 S C 1.905 176.564 174.600 0.099 0.000 1.026 42 S CA 1.081 59.314 58.200 0.055 0.000 0.981 42 S CB 0.026 63.255 63.200 0.048 0.000 0.818 42 S HN 0.217 nan 8.310 nan 0.000 0.472 43 V N 1.324 121.279 119.914 0.069 0.000 2.453 43 V HA -0.048 4.072 4.120 -0.000 0.000 0.247 43 V C 2.448 178.620 176.094 0.130 0.000 1.048 43 V CA 1.317 63.673 62.300 0.093 0.000 1.049 43 V CB -0.677 31.176 31.823 0.051 0.000 0.672 43 V HN 0.377 nan 8.190 nan 0.000 0.457 44 V N 0.687 120.644 119.914 0.071 0.000 2.287 44 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 44 V C 2.756 178.890 176.094 0.066 0.000 1.053 44 V CA 2.320 64.650 62.300 0.051 0.000 1.027 44 V CB -1.077 30.736 31.823 -0.017 0.000 0.646 44 V HN 0.565 nan 8.190 nan 0.000 0.447 45 A N -1.437 121.425 122.820 0.071 0.000 1.898 45 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 45 A C 2.142 179.805 177.584 0.132 0.000 1.181 45 A CA 1.926 54.001 52.037 0.063 0.000 0.620 45 A CB -0.808 18.233 19.000 0.068 0.000 0.819 45 A HN 0.616 nan 8.150 nan 0.000 0.442 46 Y N 0.308 120.674 120.300 0.110 0.000 2.165 46 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 46 Y C 2.049 178.035 175.900 0.143 0.000 1.155 46 Y CA 2.062 60.271 58.100 0.182 0.000 1.164 46 Y CB -0.136 38.388 38.460 0.107 0.000 0.978 46 Y HN 0.241 nan 8.280 nan 0.000 0.513 47 L N -0.713 120.673 121.223 0.272 0.000 2.049 47 L HA -0.210 4.130 4.340 -0.000 0.000 0.203 47 L C 2.518 179.428 176.870 0.068 0.000 1.074 47 L CA 1.407 56.353 54.840 0.177 0.000 0.749 47 L CB -0.633 41.521 42.059 0.158 0.000 0.907 47 L HN 0.215 nan 8.230 nan 0.000 0.439 48 Q N -0.319 119.499 119.800 0.030 0.000 2.050 48 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 48 Q C 2.088 178.030 176.000 -0.096 0.000 0.980 48 Q CA 1.267 57.057 55.803 -0.021 0.000 0.840 48 Q CB 0.019 28.742 28.738 -0.025 0.000 0.898 48 Q HN 0.413 nan 8.270 nan 0.000 0.424 49 E N -0.613 119.469 120.200 -0.196 0.000 2.216 49 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 49 E C 1.600 177.832 176.600 -0.612 0.000 0.988 49 E CA 1.018 57.157 56.400 -0.434 0.000 0.834 49 E CB 0.146 29.473 29.700 -0.622 0.000 0.772 49 E HN 0.510 nan 8.360 nan 0.000 0.479 50 H N -0.976 118.032 119.070 -0.104 0.000 2.274 50 H HA 0.197 4.753 4.556 -0.000 0.000 0.271 50 H C 2.300 177.572 175.328 -0.092 0.000 0.945 50 H CA 0.416 56.376 56.048 -0.148 0.000 1.200 50 H CB -0.040 29.527 29.762 -0.326 0.000 1.456 50 H HN -0.102 nan 8.280 nan 0.000 0.536 51 V N 2.025 121.966 119.914 0.045 0.000 2.270 51 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 51 V C 2.873 179.019 176.094 0.087 0.000 1.043 51 V CA 1.751 64.108 62.300 0.095 0.000 1.014 51 V CB -1.070 30.851 31.823 0.162 0.000 0.645 51 V HN 0.447 nan 8.190 nan 0.000 0.447 52 A N 0.784 123.642 122.820 0.063 0.000 1.881 52 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 52 A C 0.589 178.191 177.584 0.031 0.000 1.215 52 A CA 2.729 54.793 52.037 0.045 0.000 0.648 52 A CB -2.211 16.805 19.000 0.028 0.000 0.832 52 A HN 0.537 nan 8.150 nan 0.000 0.455 53 P HA -0.101 nan 4.420 nan 0.000 0.219 53 P C 1.344 178.662 177.300 0.030 0.000 1.146 53 P CA 1.312 64.421 63.100 0.015 0.000 0.808 53 P CB -0.249 31.452 31.700 0.002 0.000 0.779 54 C N -1.859 117.476 119.300 0.060 0.000 2.467 54 C HA 0.058 4.518 4.460 -0.000 0.000 0.279 54 C C 2.583 177.572 174.990 -0.001 0.000 1.347 54 C CA 0.297 59.363 59.018 0.081 0.000 1.748 54 C CB -1.629 26.245 27.740 0.224 0.000 1.977 54 C HN 0.202 nan 8.230 nan 0.000 0.501 55 L N 0.800 122.026 121.223 0.005 0.000 2.141 55 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 55 L C 0.745 177.592 176.870 -0.038 0.000 1.094 55 L CA 0.608 55.428 54.840 -0.033 0.000 0.763 55 L CB -0.574 41.489 42.059 0.008 0.000 0.908 55 L HN 0.236 nan 8.230 nan 0.000 0.437 56 I N 1.414 121.974 120.570 -0.016 0.000 2.821 56 I HA -0.041 4.129 4.170 -0.000 0.000 0.294 56 I C 1.508 177.609 176.117 -0.027 0.000 1.210 56 I CA 1.313 62.604 61.300 -0.015 0.000 1.430 56 I CB -0.630 37.367 38.000 -0.006 0.000 1.356 56 I HN 0.423 nan 8.210 nan 0.000 0.563 57 G N 5.548 114.332 108.800 -0.027 0.000 2.241 57 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 57 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 57 G C 0.432 175.303 174.900 -0.047 0.000 0.998 57 G CA -0.150 44.931 45.100 -0.031 0.000 0.621 57 G HN 0.485 nan 8.290 nan 0.000 0.519 58 M N 0.947 120.506 119.600 -0.068 0.000 2.228 58 M HA 0.341 4.821 4.480 -0.000 0.000 0.326 58 M C 0.088 176.348 176.300 -0.065 0.000 1.122 58 M CA -0.293 54.953 55.300 -0.090 0.000 1.161 58 M CB 0.479 32.992 32.600 -0.144 0.000 1.437 58 M HN 0.139 nan 8.290 nan 0.000 0.465 59 D N 3.345 123.706 120.400 -0.066 0.000 2.365 59 D HA 0.150 4.790 4.640 -0.000 0.000 0.237 59 D C -1.599 174.664 176.300 -0.062 0.000 1.190 59 D CA -2.112 51.855 54.000 -0.055 0.000 0.867 59 D CB 0.845 41.615 40.800 -0.049 0.000 1.050 59 D HN 0.230 nan 8.370 nan 0.000 0.491 60 P HA -0.162 nan 4.420 nan 0.000 0.222 60 P C 0.873 178.114 177.300 -0.098 0.000 1.142 60 P CA 0.734 63.796 63.100 -0.063 0.000 0.788 60 P CB 0.328 32.003 31.700 -0.041 0.000 0.767 61 R N -0.165 120.277 120.500 -0.097 0.000 2.236 61 R HA 0.058 4.398 4.340 -0.000 0.000 0.208 61 R C 1.290 177.503 176.300 -0.146 0.000 1.036 61 R CA 0.355 56.378 56.100 -0.127 0.000 1.001 61 R CB -0.240 30.004 30.300 -0.094 0.000 0.896 61 R HN 0.225 nan 8.270 nan 0.000 0.464 62 R N 1.388 121.823 120.500 -0.108 0.000 4.071 62 R HA 0.166 4.506 4.340 -0.000 0.000 0.220 62 R C 0.864 177.114 176.300 -0.084 0.000 1.614 62 R CA -0.150 55.899 56.100 -0.085 0.000 1.505 62 R CB -0.046 30.224 30.300 -0.049 0.000 1.384 62 R HN 0.195 nan 8.270 nan 0.000 0.758 63 I N 0.513 120.978 120.570 -0.176 0.000 2.151 63 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 63 I C 2.395 178.525 176.117 0.022 0.000 1.080 63 I CA 1.434 62.625 61.300 -0.183 0.000 1.339 63 I CB -0.097 37.565 38.000 -0.563 0.000 1.039 63 I HN 0.369 nan 8.210 nan 0.000 0.409 64 E N 1.316 121.529 120.200 0.021 0.000 2.051 64 E HA -0.283 4.067 4.350 -0.000 0.000 0.192 64 E C 1.680 178.401 176.600 0.203 0.000 0.991 64 E CA 1.898 58.371 56.400 0.122 0.000 0.799 64 E CB -0.203 29.536 29.700 0.065 0.000 0.748 64 E HN 0.447 nan 8.360 nan 0.000 0.449 65 D N -0.651 119.826 120.400 0.130 0.000 2.117 65 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 65 D C 1.862 178.281 176.300 0.198 0.000 0.987 65 D CA 1.480 55.570 54.000 0.149 0.000 0.829 65 D CB -0.097 40.748 40.800 0.074 0.000 0.961 65 D HN 0.306 nan 8.370 nan 0.000 0.460 66 I N -0.689 119.970 120.570 0.148 0.000 2.439 66 I HA -0.114 4.056 4.170 -0.000 0.000 0.251 66 I C 1.860 178.133 176.117 0.260 0.000 1.139 66 I CA 0.433 61.819 61.300 0.144 0.000 1.438 66 I CB -0.271 37.760 38.000 0.052 0.000 1.085 66 I HN 0.275 nan 8.210 nan 0.000 0.427 67 W N 1.788 123.168 121.300 0.135 0.000 2.354 67 W HA -0.219 4.441 4.660 -0.000 0.000 0.315 67 W C 2.664 179.313 176.519 0.215 0.000 1.206 67 W CA 1.269 58.712 57.345 0.164 0.000 1.290 67 W CB -0.028 29.514 29.460 0.137 0.000 1.152 67 W HN 0.026 nan 8.180 nan 0.000 0.489 68 Q N -0.655 119.510 119.800 0.608 0.000 2.124 68 Q HA -0.275 4.065 4.340 -0.000 0.000 0.202 68 Q C 1.958 178.136 176.000 0.296 0.000 0.977 68 Q CA 1.975 58.080 55.803 0.503 0.000 0.850 68 Q CB -1.394 27.592 28.738 0.413 0.000 0.901 68 Q HN 0.600 nan 8.270 nan 0.000 0.429 69 Y N 0.955 121.337 120.300 0.136 0.000 2.145 69 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 69 Y C 2.191 178.105 175.900 0.023 0.000 1.145 69 Y CA 1.426 59.569 58.100 0.071 0.000 1.148 69 Y CB -0.027 38.470 38.460 0.062 0.000 0.981 69 Y HN -0.137 nan 8.280 nan 0.000 0.507 70 V N -0.470 119.561 119.914 0.195 0.000 2.548 70 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 70 V C 1.889 177.926 176.094 -0.096 0.000 1.055 70 V CA 1.912 64.244 62.300 0.054 0.000 1.065 70 V CB -1.012 30.856 31.823 0.075 0.000 0.681 70 V HN 0.553 nan 8.190 nan 0.000 0.462 71 Y N 1.573 121.676 120.300 -0.329 0.000 2.130 71 Y HA -0.147 4.403 4.550 -0.000 0.000 0.287 71 Y C 2.746 178.538 175.900 -0.180 0.000 1.124 71 Y CA 1.722 59.586 58.100 -0.393 0.000 1.118 71 Y CB -0.185 37.830 38.460 -0.741 0.000 0.994 71 Y HN 0.047 nan 8.280 nan 0.000 0.497 72 R N -0.459 119.982 120.500 -0.098 0.000 2.073 72 R HA -0.045 4.295 4.340 -0.000 0.000 0.229 72 R C 2.557 178.733 176.300 -0.207 0.000 1.120 72 R CA 1.055 57.065 56.100 -0.149 0.000 0.967 72 R CB -0.994 29.330 30.300 0.039 0.000 0.862 72 R HN 0.500 nan 8.270 nan 0.000 0.436 73 G N 1.188 109.843 108.800 -0.242 0.000 2.462 73 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 73 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 73 G C 1.534 176.298 174.900 -0.226 0.000 1.121 73 G CA 0.767 45.671 45.100 -0.327 0.000 0.758 73 G HN 0.405 nan 8.290 nan 0.000 0.559 74 A N -1.140 121.570 122.820 -0.182 0.000 2.070 74 A HA 0.110 4.430 4.320 -0.000 0.000 0.220 74 A C 1.530 179.061 177.584 -0.088 0.000 1.159 74 A CA 1.764 53.756 52.037 -0.075 0.000 0.656 74 A CB -0.371 18.632 19.000 0.004 0.000 0.800 74 A HN 0.950 nan 8.150 nan 0.000 0.453 75 Y N -3.126 116.947 120.300 -0.378 0.000 2.769 75 Y HA -0.332 4.218 4.550 -0.000 0.000 0.487 75 Y C -0.129 175.422 175.900 -0.582 0.000 1.131 75 Y CA 1.864 59.626 58.100 -0.563 0.000 2.888 75 Y CB -1.598 36.383 38.460 -0.798 0.000 0.920 75 Y HN 0.427 nan 8.280 nan 0.000 0.553 76 W N 4.957 126.173 121.300 -0.141 0.000 2.433 76 W HA 0.546 5.206 4.660 -0.000 0.000 0.331 76 W C 0.470 176.857 176.519 -0.219 0.000 1.110 76 W CA -0.469 56.764 57.345 -0.187 0.000 1.450 76 W CB 0.248 29.672 29.460 -0.059 0.000 1.348 76 W HN -0.063 nan 8.180 nan 0.000 0.415 77 R N 2.764 123.157 120.500 -0.178 0.000 2.528 77 R HA 0.694 5.034 4.340 -0.000 0.000 0.271 77 R C 0.425 176.657 176.300 -0.112 0.000 1.056 77 R CA -0.884 55.038 56.100 -0.297 0.000 1.117 77 R CB 0.686 30.687 30.300 -0.500 0.000 1.085 77 R HN 0.513 nan 8.270 nan 0.000 0.530 78 R N -0.710 119.755 120.500 -0.057 0.000 3.936 78 R HA -0.166 4.174 4.340 -0.000 0.000 0.451 78 R C -0.201 176.116 176.300 0.028 0.000 0.241 78 R CA 0.656 56.814 56.100 0.096 0.000 1.423 78 R CB -1.355 29.028 30.300 0.139 0.000 1.085 78 R HN 1.094 nan 8.270 nan 0.000 0.524 79 G N -1.463 107.361 108.800 0.040 0.000 2.617 79 G HA2 0.010 3.969 3.960 -0.000 0.000 0.686 79 G HA3 0.010 3.969 3.960 -0.000 0.000 0.686 79 G C -2.449 172.445 174.900 -0.010 0.000 1.214 79 G CA -0.527 44.577 45.100 0.005 0.000 0.796 79 G HN 0.380 nan 8.290 nan 0.000 0.654 80 P HA -0.064 nan 4.420 nan 0.000 0.214 80 P C 2.188 179.459 177.300 -0.048 0.000 1.163 80 P CA 1.818 64.917 63.100 -0.002 0.000 0.883 80 P CB 0.149 31.855 31.700 0.010 0.000 0.788 81 V N -0.673 119.184 119.914 -0.094 0.000 2.270 81 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 81 V C 2.339 178.193 176.094 -0.400 0.000 1.043 81 V CA 2.576 64.767 62.300 -0.182 0.000 1.014 81 V CB -1.895 29.836 31.823 -0.153 0.000 0.645 81 V HN 0.175 nan 8.190 nan 0.000 0.447 82 T N 0.269 114.549 114.554 -0.458 0.000 2.652 82 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 82 T C 1.924 176.444 174.700 -0.301 0.000 1.039 82 T CA 1.760 63.508 62.100 -0.586 0.000 1.153 82 T CB -0.327 68.380 68.868 -0.268 0.000 0.863 82 T HN 0.191 nan 8.240 nan 0.000 0.428 83 M N 0.570 120.092 119.600 -0.130 0.000 2.296 83 M HA 0.109 4.589 4.480 -0.000 0.000 0.265 83 M C 2.245 178.541 176.300 -0.008 0.000 1.064 83 M CA 1.103 56.385 55.300 -0.030 0.000 1.109 83 M CB -1.061 31.567 32.600 0.047 0.000 1.396 83 M HN 0.036 nan 8.290 nan 0.000 0.430 84 R N 0.641 121.120 120.500 -0.036 0.000 2.075 84 R HA 0.033 4.373 4.340 -0.000 0.000 0.232 84 R C 2.288 178.598 176.300 0.017 0.000 1.126 84 R CA 1.781 57.887 56.100 0.009 0.000 0.963 84 R CB -0.783 29.519 30.300 0.003 0.000 0.858 84 R HN 0.384 nan 8.270 nan 0.000 0.435 85 A N 0.292 123.087 122.820 -0.041 0.000 1.877 85 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 85 A C 2.200 179.826 177.584 0.070 0.000 1.186 85 A CA 1.479 53.540 52.037 0.041 0.000 0.620 85 A CB -0.599 18.446 19.000 0.074 0.000 0.822 85 A HN 0.289 nan 8.150 nan 0.000 0.443 86 I N -0.246 120.333 120.570 0.015 0.000 2.226 86 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 86 I C 2.960 179.134 176.117 0.095 0.000 1.100 86 I CA 1.037 62.333 61.300 -0.007 0.000 1.374 86 I CB -0.364 37.532 38.000 -0.173 0.000 1.057 86 I HN 0.374 nan 8.210 nan 0.000 0.413 87 A N 0.818 123.712 122.820 0.125 0.000 1.902 87 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 87 A C 2.569 180.259 177.584 0.178 0.000 1.181 87 A CA 1.809 53.957 52.037 0.185 0.000 0.623 87 A CB -0.802 18.287 19.000 0.149 0.000 0.818 87 A HN 0.427 nan 8.150 nan 0.000 0.443 88 A N -0.574 122.331 122.820 0.141 0.000 1.908 88 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 88 A C 2.253 179.937 177.584 0.166 0.000 1.181 88 A CA 1.882 54.006 52.037 0.145 0.000 0.627 88 A CB -0.945 18.132 19.000 0.128 0.000 0.818 88 A HN 0.382 nan 8.150 nan 0.000 0.445 89 V N 0.265 120.273 119.914 0.158 0.000 2.261 89 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 89 V C 2.341 178.549 176.094 0.188 0.000 1.047 89 V CA 2.513 64.906 62.300 0.154 0.000 1.015 89 V CB -0.835 31.068 31.823 0.132 0.000 0.642 89 V HN 0.711 nan 8.190 nan 0.000 0.446 90 D N -0.613 119.937 120.400 0.251 0.000 2.123 90 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 90 D C 2.209 178.742 176.300 0.389 0.000 0.992 90 D CA 1.711 55.923 54.000 0.353 0.000 0.833 90 D CB -0.124 40.978 40.800 0.503 0.000 0.954 90 D HN 0.326 nan 8.370 nan 0.000 0.455 91 M N -0.184 119.615 119.600 0.332 0.000 2.117 91 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 91 M C 2.333 178.843 176.300 0.349 0.000 1.065 91 M CA 1.506 57.012 55.300 0.345 0.000 1.114 91 M CB -0.234 32.511 32.600 0.243 0.000 1.361 91 M HN 0.128 nan 8.290 nan 0.000 0.408 92 A N 0.417 123.396 122.820 0.265 0.000 1.902 92 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 92 A C 2.062 179.732 177.584 0.143 0.000 1.181 92 A CA 1.351 53.518 52.037 0.218 0.000 0.623 92 A CB -0.904 18.206 19.000 0.183 0.000 0.818 92 A HN 0.462 nan 8.150 nan 0.000 0.443 93 L N -2.871 118.416 121.223 0.107 0.000 2.093 93 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 93 L C 2.570 179.390 176.870 -0.083 0.000 1.085 93 L CA 1.221 56.046 54.840 -0.025 0.000 0.755 93 L CB -0.499 41.499 42.059 -0.101 0.000 0.904 93 L HN 0.608 nan 8.230 nan 0.000 0.435 94 W N 0.526 121.861 121.300 0.057 0.000 2.436 94 W HA -0.178 4.482 4.660 -0.000 0.000 0.284 94 W C 2.345 178.844 176.519 -0.033 0.000 1.225 94 W CA 0.950 58.307 57.345 0.020 0.000 1.271 94 W CB -0.107 29.382 29.460 0.048 0.000 1.114 94 W HN 0.216 nan 8.180 nan 0.000 0.559 95 D N 0.438 120.944 120.400 0.176 0.000 2.097 95 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 95 D C 1.925 178.164 176.300 -0.102 0.000 0.989 95 D CA 1.605 55.552 54.000 -0.089 0.000 0.827 95 D CB -0.349 40.304 40.800 -0.246 0.000 0.966 95 D HN 0.079 nan 8.370 nan 0.000 0.456 96 I N 0.057 120.592 120.570 -0.057 0.000 2.208 96 I HA -0.243 3.926 4.170 -0.000 0.000 0.245 96 I C 2.515 178.586 176.117 -0.077 0.000 1.097 96 I CA 1.072 62.325 61.300 -0.078 0.000 1.363 96 I CB -0.242 37.727 38.000 -0.051 0.000 1.051 96 I HN 0.061 nan 8.210 nan 0.000 0.413 97 K N 1.028 121.388 120.400 -0.067 0.000 2.097 97 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 97 K C 2.166 178.755 176.600 -0.019 0.000 1.049 97 K CA 1.401 57.649 56.287 -0.066 0.000 0.933 97 K CB -0.064 32.356 32.500 -0.133 0.000 0.717 97 K HN 0.298 nan 8.250 nan 0.000 0.442 98 A N 1.399 124.224 122.820 0.009 0.000 1.898 98 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 98 A C 1.862 179.406 177.584 -0.066 0.000 1.181 98 A CA 1.480 53.503 52.037 -0.025 0.000 0.620 98 A CB -0.293 18.673 19.000 -0.056 0.000 0.819 98 A HN 0.271 nan 8.150 nan 0.000 0.442 99 K N -0.775 119.570 120.400 -0.091 0.000 2.009 99 K HA -0.107 4.213 4.320 -0.000 0.000 0.210 99 K C 2.090 178.643 176.600 -0.077 0.000 1.049 99 K CA 1.815 58.040 56.287 -0.102 0.000 0.929 99 K CB -0.330 32.080 32.500 -0.149 0.000 0.714 99 K HN 0.485 nan 8.250 nan 0.000 0.440 100 M N 0.227 119.785 119.600 -0.071 0.000 2.202 100 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 100 M C 2.192 178.465 176.300 -0.045 0.000 1.063 100 M CA 1.509 56.776 55.300 -0.056 0.000 1.097 100 M CB -0.227 32.340 32.600 -0.055 0.000 1.382 100 M HN 0.192 nan 8.290 nan 0.000 0.413 101 A N -0.256 122.538 122.820 -0.043 0.000 2.208 101 A HA 0.324 4.644 4.320 -0.000 0.000 0.209 101 A C 1.607 179.167 177.584 -0.039 0.000 1.161 101 A CA 0.771 52.787 52.037 -0.035 0.000 0.782 101 A CB -0.788 18.195 19.000 -0.028 0.000 0.816 101 A HN 0.636 nan 8.150 nan 0.000 0.477 102 G N -0.888 107.885 108.800 -0.045 0.000 2.246 102 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.273 102 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.273 102 G C -0.068 174.804 174.900 -0.047 0.000 1.055 102 G CA 0.830 45.906 45.100 -0.042 0.000 0.851 102 G HN 0.587 nan 8.290 nan 0.000 0.500 103 M N -0.368 119.192 119.600 -0.066 0.000 2.531 103 M HA 0.507 4.987 4.480 -0.000 0.000 0.286 103 M C -2.687 173.534 176.300 -0.131 0.000 1.232 103 M CA -2.345 52.896 55.300 -0.098 0.000 0.877 103 M CB 2.676 35.203 32.600 -0.122 0.000 1.726 103 M HN -0.086 nan 8.290 nan 0.000 0.463 104 P HA 0.031 nan 4.420 nan 0.000 0.271 104 P C 0.487 177.614 177.300 -0.289 0.000 1.218 104 P CA -0.345 62.673 63.100 -0.137 0.000 0.780 104 P CB 0.997 32.692 31.700 -0.008 0.000 0.901 105 L N 4.519 125.503 121.223 -0.399 0.000 2.051 105 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 105 L C 2.540 179.346 176.870 -0.106 0.000 1.076 105 L CA 2.120 56.775 54.840 -0.310 0.000 0.758 105 L CB -2.029 39.744 42.059 -0.477 0.000 0.890 105 L HN 0.477 nan 8.230 nan 0.000 0.433 106 Y N -1.571 118.848 120.300 0.198 0.000 2.315 106 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 106 Y C 2.178 178.097 175.900 0.032 0.000 1.154 106 Y CA 1.358 59.548 58.100 0.150 0.000 1.229 106 Y CB -1.224 37.371 38.460 0.224 0.000 0.980 106 Y HN 0.288 nan 8.280 nan 0.000 0.540 107 Q N 0.317 119.880 119.800 -0.396 0.000 2.167 107 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 107 Q C 2.151 178.072 176.000 -0.132 0.000 0.970 107 Q CA 1.173 56.834 55.803 -0.238 0.000 0.855 107 Q CB -0.275 28.260 28.738 -0.337 0.000 0.911 107 Q HN 0.527 nan 8.270 nan 0.000 0.438 108 L N 0.065 121.200 121.223 -0.147 0.000 2.156 108 L HA -0.096 4.243 4.340 -0.000 0.000 0.208 108 L C 2.194 178.921 176.870 -0.239 0.000 1.095 108 L CA 1.104 55.880 54.840 -0.106 0.000 0.770 108 L CB -0.571 41.495 42.059 0.012 0.000 0.914 108 L HN 0.131 nan 8.230 nan 0.000 0.439 109 L N -1.238 119.741 121.223 -0.407 0.000 2.291 109 L HA 0.082 4.422 4.340 -0.000 0.000 0.214 109 L C 1.415 177.680 176.870 -1.008 0.000 1.120 109 L CA 0.966 55.299 54.840 -0.846 0.000 0.799 109 L CB -0.452 41.018 42.059 -0.981 0.000 0.925 109 L HN 0.500 nan 8.230 nan 0.000 0.446 110 G N -1.410 107.124 108.800 -0.443 0.000 2.789 110 G HA2 0.217 4.177 3.960 -0.000 0.000 0.218 110 G HA3 0.217 4.177 3.960 -0.000 0.000 0.218 110 G C 0.444 175.447 174.900 0.172 0.000 0.980 110 G CA -0.337 44.690 45.100 -0.123 0.000 0.848 110 G HN 0.630 nan 8.290 nan 0.000 0.591 111 G N -0.118 108.801 108.800 0.198 0.000 2.756 111 G HA2 0.269 4.229 3.960 -0.000 0.000 0.678 111 G HA3 0.269 4.229 3.960 -0.000 0.000 0.678 111 G C -0.003 175.140 174.900 0.405 0.000 1.349 111 G CA 0.369 45.668 45.100 0.332 0.000 0.847 111 G HN 1.672 nan 8.290 nan 0.000 0.548 112 R N -0.967 119.699 120.500 0.276 0.000 2.441 112 R HA 0.745 5.085 4.340 -0.000 0.000 0.284 112 R C 0.694 176.980 176.300 -0.023 0.000 1.070 112 R CA 0.058 56.151 56.100 -0.013 0.000 1.047 112 R CB 1.353 31.492 30.300 -0.267 0.000 1.016 112 R HN 0.373 nan 8.270 nan 0.000 0.477 113 S N 1.347 116.976 115.700 -0.119 0.000 2.526 113 S HA 0.109 4.579 4.470 -0.000 0.000 0.220 113 S C -0.063 174.444 174.600 -0.155 0.000 1.017 113 S CA -0.331 57.788 58.200 -0.136 0.000 0.930 113 S CB -0.001 63.066 63.200 -0.220 0.000 0.856 113 S HN 0.759 nan 8.310 nan 0.000 0.497 114 R N 0.114 120.490 120.500 -0.207 0.000 2.766 114 R HA 0.548 4.888 4.340 -0.000 0.000 0.270 114 R C -1.265 174.896 176.300 -0.232 0.000 1.035 114 R CA -0.651 55.323 56.100 -0.210 0.000 0.911 114 R CB 0.444 30.580 30.300 -0.273 0.000 1.243 114 R HN -0.143 nan 8.270 nan 0.000 0.460 115 D N 0.344 120.632 120.400 -0.187 0.000 2.648 115 D HA 0.141 4.780 4.640 -0.000 0.000 0.261 115 D C 0.764 176.906 176.300 -0.264 0.000 1.261 115 D CA 0.858 54.780 54.000 -0.130 0.000 1.011 115 D CB -0.449 40.357 40.800 0.009 0.000 1.092 115 D HN 0.589 nan 8.370 nan 0.000 0.417 116 G N 0.063 108.650 108.800 -0.356 0.000 2.504 116 G HA2 0.489 4.449 3.960 -0.000 0.000 0.288 116 G HA3 0.489 4.449 3.960 -0.000 0.000 0.288 116 G C -0.525 173.924 174.900 -0.751 0.000 1.182 116 G CA -0.410 44.114 45.100 -0.960 0.000 0.894 116 G HN 0.090 nan 8.290 nan 0.000 0.521 117 I N 1.694 121.757 120.570 -0.845 0.000 2.354 117 I HA 0.208 4.378 4.170 -0.000 0.000 0.286 117 I C 0.502 176.426 176.117 -0.322 0.000 1.007 117 I CA -0.701 60.231 61.300 -0.613 0.000 1.167 117 I CB 1.114 38.765 38.000 -0.582 0.000 1.320 117 I HN 0.520 nan 8.210 nan 0.000 0.458 118 M N 8.021 127.588 119.600 -0.055 0.000 2.248 118 M HA 0.308 4.788 4.480 -0.000 0.000 0.345 118 M C -0.401 175.944 176.300 0.076 0.000 1.243 118 M CA 0.295 55.610 55.300 0.024 0.000 1.090 118 M CB 0.566 33.231 32.600 0.108 0.000 1.683 118 M HN 0.492 nan 8.290 nan 0.000 0.450 119 V N 3.185 123.111 119.914 0.019 0.000 3.158 119 V HA 0.788 4.908 4.120 -0.000 0.000 0.311 119 V C -1.547 174.641 176.094 0.155 0.000 1.181 119 V CA -0.911 61.419 62.300 0.050 0.000 1.054 119 V CB 1.771 33.629 31.823 0.058 0.000 1.085 119 V HN 0.903 nan 8.190 nan 0.000 0.446 120 Y N -0.434 119.939 120.300 0.123 0.000 2.512 120 Y HA 0.986 5.536 4.550 -0.000 0.000 0.348 120 Y C 0.073 176.102 175.900 0.215 0.000 0.990 120 Y CA -0.630 57.541 58.100 0.117 0.000 1.033 120 Y CB 1.456 39.800 38.460 -0.193 0.000 1.259 120 Y HN 1.051 nan 8.280 nan 0.000 0.461 121 G N 0.514 109.436 108.800 0.204 0.000 2.521 121 G HA2 0.414 4.374 3.960 -0.000 0.000 0.323 121 G HA3 0.414 4.374 3.960 -0.000 0.000 0.323 121 G C -1.721 172.960 174.900 -0.365 0.000 1.211 121 G CA -0.926 43.955 45.100 -0.365 0.000 0.979 121 G HN 0.745 nan 8.290 nan 0.000 0.490 122 H N -0.145 118.424 119.070 -0.835 0.000 2.690 122 H HA 0.561 5.117 4.556 -0.000 0.000 0.280 122 H C 0.297 175.299 175.328 -0.542 0.000 1.138 122 H CA -0.395 55.366 56.048 -0.478 0.000 1.241 122 H CB 0.909 30.552 29.762 -0.197 0.000 1.394 122 H HN 0.592 nan 8.280 nan 0.000 0.489 123 A N 4.406 126.983 122.820 -0.405 0.000 2.279 123 A HA 0.369 4.689 4.320 -0.000 0.000 0.306 123 A C -0.103 177.457 177.584 -0.040 0.000 1.300 123 A CA -0.691 51.264 52.037 -0.138 0.000 0.925 123 A CB -0.044 18.889 19.000 -0.112 0.000 1.152 123 A HN 0.633 nan 8.150 nan 0.000 0.544 124 N N 1.124 119.846 118.700 0.038 0.000 2.384 124 N HA 0.753 5.493 4.740 -0.000 0.000 0.301 124 N C -0.200 175.341 175.510 0.052 0.000 1.133 124 N CA -0.148 52.928 53.050 0.043 0.000 0.853 124 N CB 2.311 40.836 38.487 0.064 0.000 1.241 124 N HN 0.784 nan 8.380 nan 0.000 0.502 125 G N -1.240 107.592 108.800 0.052 0.000 2.742 125 G HA2 0.264 4.224 3.960 -0.000 0.000 0.296 125 G HA3 0.264 4.224 3.960 -0.000 0.000 0.296 125 G C 0.386 175.326 174.900 0.066 0.000 1.436 125 G CA -0.486 44.645 45.100 0.051 0.000 0.928 125 G HN 0.410 nan 8.290 nan 0.000 0.520 126 S N -0.650 115.084 115.700 0.058 0.000 2.453 126 S HA 0.111 4.581 4.470 -0.000 0.000 0.231 126 S C 0.631 175.276 174.600 0.076 0.000 1.005 126 S CA 1.568 59.802 58.200 0.057 0.000 0.949 126 S CB -0.322 62.901 63.200 0.037 0.000 0.774 126 S HN 0.917 nan 8.310 nan 0.000 0.510 127 D N -1.246 119.212 120.400 0.097 0.000 2.759 127 D HA 0.418 5.058 4.640 -0.000 0.000 0.321 127 D C 0.683 177.063 176.300 0.133 0.000 1.267 127 D CA -0.863 53.242 54.000 0.175 0.000 0.933 127 D CB -0.108 40.776 40.800 0.140 0.000 1.431 127 D HN -0.014 nan 8.370 nan 0.000 0.504 128 I N 0.223 120.868 120.570 0.124 0.000 2.179 128 I HA -0.210 3.959 4.170 -0.000 0.000 0.242 128 I C 2.501 178.582 176.117 -0.060 0.000 1.088 128 I CA 1.823 63.079 61.300 -0.073 0.000 1.357 128 I CB -0.497 37.361 38.000 -0.237 0.000 1.051 128 I HN 0.608 nan 8.210 nan 0.000 0.409 129 A N 0.238 123.043 122.820 -0.025 0.000 1.892 129 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 129 A C 2.316 179.894 177.584 -0.011 0.000 1.188 129 A CA 2.298 54.319 52.037 -0.027 0.000 0.631 129 A CB -0.791 18.202 19.000 -0.010 0.000 0.822 129 A HN 0.521 nan 8.150 nan 0.000 0.447 130 E N -1.163 119.042 120.200 0.008 0.000 2.106 130 E HA -0.139 4.210 4.350 -0.000 0.000 0.192 130 E C 1.942 178.553 176.600 0.018 0.000 0.984 130 E CA 1.522 57.931 56.400 0.016 0.000 0.806 130 E CB -0.077 29.639 29.700 0.025 0.000 0.750 130 E HN 0.617 nan 8.360 nan 0.000 0.458 131 T N 0.188 114.745 114.554 0.004 0.000 2.857 131 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 131 T C 1.925 176.616 174.700 -0.014 0.000 1.048 131 T CA 0.957 63.050 62.100 -0.012 0.000 1.139 131 T CB -0.083 68.755 68.868 -0.050 0.000 0.874 131 T HN 0.010 nan 8.240 nan 0.000 0.455 132 V N 2.123 122.021 119.914 -0.026 0.000 2.343 132 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 132 V C 2.788 178.965 176.094 0.138 0.000 1.051 132 V CA 1.797 64.113 62.300 0.028 0.000 1.036 132 V CB -0.547 31.239 31.823 -0.061 0.000 0.654 132 V HN 0.518 nan 8.190 nan 0.000 0.451 133 E N 0.983 121.232 120.200 0.082 0.000 2.110 133 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 133 E C 2.171 178.834 176.600 0.105 0.000 0.988 133 E CA 1.786 58.245 56.400 0.098 0.000 0.804 133 E CB -0.192 29.535 29.700 0.045 0.000 0.745 133 E HN 0.510 nan 8.360 nan 0.000 0.458 134 A N 0.905 123.781 122.820 0.094 0.000 1.933 134 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 134 A C 2.584 180.285 177.584 0.196 0.000 1.175 134 A CA 1.505 53.633 52.037 0.151 0.000 0.628 134 A CB -0.640 18.439 19.000 0.131 0.000 0.814 134 A HN 0.197 nan 8.150 nan 0.000 0.444 135 V N -0.105 119.857 119.914 0.080 0.000 2.427 135 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 135 V C 2.795 178.762 176.094 -0.211 0.000 1.051 135 V CA 1.823 64.098 62.300 -0.041 0.000 1.048 135 V CB -1.360 30.410 31.823 -0.088 0.000 0.666 135 V HN 0.611 nan 8.190 nan 0.000 0.456 136 G N -0.848 107.831 108.800 -0.202 0.000 2.442 136 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.219 136 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.219 136 G C 1.443 176.272 174.900 -0.119 0.000 1.141 136 G CA 1.270 46.181 45.100 -0.315 0.000 0.763 136 G HN 0.641 nan 8.290 nan 0.000 0.554 137 H N -0.456 118.551 119.070 -0.105 0.000 2.353 137 H HA -0.064 4.492 4.556 -0.000 0.000 0.300 137 H C 2.118 177.307 175.328 -0.231 0.000 1.090 137 H CA 1.426 57.385 56.048 -0.148 0.000 1.327 137 H CB -0.341 29.321 29.762 -0.165 0.000 1.383 137 H HN 0.424 nan 8.280 nan 0.000 0.508 138 Y N -0.326 119.794 120.300 -0.300 0.000 2.373 138 Y HA -0.057 4.493 4.550 -0.000 0.000 0.293 138 Y C 2.568 178.361 175.900 -0.179 0.000 1.129 138 Y CA 1.052 58.916 58.100 -0.394 0.000 1.226 138 Y CB -0.100 38.079 38.460 -0.469 0.000 1.000 138 Y HN 0.229 nan 8.280 nan 0.000 0.549 139 I N -0.298 120.194 120.570 -0.129 0.000 2.252 139 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 139 I C 1.678 177.766 176.117 -0.048 0.000 1.102 139 I CA 1.275 62.478 61.300 -0.162 0.000 1.385 139 I CB -0.290 37.407 38.000 -0.506 0.000 1.064 139 I HN 0.176 nan 8.210 nan 0.000 0.414 140 D N 0.821 121.167 120.400 -0.090 0.000 2.123 140 D HA -0.179 4.460 4.640 -0.000 0.000 0.196 140 D C 2.143 178.439 176.300 -0.007 0.000 0.992 140 D CA 1.403 55.381 54.000 -0.037 0.000 0.833 140 D CB -0.208 40.573 40.800 -0.032 0.000 0.954 140 D HN 0.324 nan 8.370 nan 0.000 0.455 141 M N -0.735 118.842 119.600 -0.038 0.000 2.686 141 M HA 0.069 4.549 4.480 -0.000 0.000 0.246 141 M C 1.140 177.558 176.300 0.196 0.000 1.096 141 M CA 0.909 56.258 55.300 0.081 0.000 1.076 141 M CB 0.245 32.886 32.600 0.068 0.000 1.504 141 M HN 0.161 nan 8.290 nan 0.000 0.524 142 G N -0.437 108.468 108.800 0.174 0.000 2.159 142 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.227 142 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.227 142 G C -0.331 174.652 174.900 0.139 0.000 0.986 142 G CA -0.617 44.553 45.100 0.117 0.000 0.651 142 G HN 0.411 nan 8.290 nan 0.000 0.523 143 Y N 1.150 121.533 120.300 0.137 0.000 2.465 143 Y HA 0.383 4.933 4.550 -0.000 0.000 0.331 143 Y C 1.847 177.833 175.900 0.142 0.000 1.102 143 Y CA 0.490 58.697 58.100 0.178 0.000 1.358 143 Y CB 0.886 39.489 38.460 0.238 0.000 1.213 143 Y HN 0.126 nan 8.280 nan 0.000 0.525 144 K N 2.358 122.881 120.400 0.205 0.000 2.365 144 K HA 0.319 4.639 4.320 -0.000 0.000 0.197 144 K C 0.172 176.875 176.600 0.172 0.000 1.042 144 K CA 0.654 57.030 56.287 0.148 0.000 0.987 144 K CB 0.350 32.907 32.500 0.096 0.000 0.779 144 K HN 0.552 nan 8.250 nan 0.000 0.484 145 A N 1.201 124.136 122.820 0.193 0.000 2.422 145 A HA 0.651 4.971 4.320 -0.000 0.000 0.302 145 A C -1.361 176.280 177.584 0.094 0.000 1.041 145 A CA -0.780 51.299 52.037 0.070 0.000 0.708 145 A CB 0.990 19.867 19.000 -0.204 0.000 1.257 145 A HN 0.063 nan 8.150 nan 0.000 0.414 146 I N 0.822 121.373 120.570 -0.031 0.000 2.619 146 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 146 I C 0.081 176.100 176.117 -0.164 0.000 1.100 146 I CA -0.349 60.890 61.300 -0.103 0.000 1.043 146 I CB 2.164 40.081 38.000 -0.137 0.000 1.239 146 I HN 0.731 nan 8.210 nan 0.000 0.420 147 R N 4.017 124.401 120.500 -0.193 0.000 2.254 147 R HA 0.841 5.181 4.340 -0.000 0.000 0.318 147 R C -0.927 175.290 176.300 -0.138 0.000 1.031 147 R CA -0.483 55.494 56.100 -0.204 0.000 0.905 147 R CB 1.101 31.230 30.300 -0.285 0.000 1.050 147 R HN 0.848 nan 8.270 nan 0.000 0.456 148 A N 5.094 127.924 122.820 0.016 0.000 2.273 148 A HA 0.363 4.683 4.320 -0.000 0.000 0.315 148 A C -1.030 176.629 177.584 0.125 0.000 1.256 148 A CA -0.736 51.288 52.037 -0.022 0.000 0.851 148 A CB 1.322 20.196 19.000 -0.210 0.000 1.172 148 A HN 0.639 nan 8.150 nan 0.000 0.508 149 Q N 0.916 120.746 119.800 0.049 0.000 2.353 149 Q HA 0.610 4.950 4.340 -0.000 0.000 0.268 149 Q C -0.782 175.281 176.000 0.106 0.000 1.045 149 Q CA -0.298 55.579 55.803 0.123 0.000 0.811 149 Q CB 2.200 30.949 28.738 0.019 0.000 1.305 149 Q HN 0.684 nan 8.270 nan 0.000 0.447 150 T N -0.019 114.643 114.554 0.179 0.000 2.900 150 T HA 0.697 5.047 4.350 -0.000 0.000 0.295 150 T C -0.274 174.553 174.700 0.213 0.000 1.044 150 T CA -0.377 61.824 62.100 0.168 0.000 0.995 150 T CB 1.394 70.362 68.868 0.165 0.000 1.072 150 T HN 0.663 nan 8.240 nan 0.000 0.473 151 G N 1.354 110.251 108.800 0.162 0.000 2.527 151 G HA2 0.502 4.462 3.960 -0.000 0.000 0.248 151 G HA3 0.502 4.462 3.960 -0.000 0.000 0.248 151 G C -0.672 174.271 174.900 0.072 0.000 1.231 151 G CA -0.343 44.828 45.100 0.118 0.000 0.838 151 G HN 0.740 nan 8.290 nan 0.000 0.570 152 V N 3.469 123.361 119.914 -0.035 0.000 2.313 152 V HA 0.223 4.343 4.120 -0.000 0.000 0.278 152 V C -2.012 173.865 176.094 -0.360 0.000 1.017 152 V CA -1.420 60.700 62.300 -0.300 0.000 0.823 152 V CB 1.552 33.262 31.823 -0.189 0.000 1.010 152 V HN 0.549 nan 8.190 nan 0.000 0.443 153 P HA 0.265 nan 4.420 nan 0.000 0.262 153 P C 1.020 178.161 177.300 -0.266 0.000 1.199 153 P CA 1.296 64.207 63.100 -0.315 0.000 0.763 153 P CB 0.623 32.133 31.700 -0.317 0.000 0.790 154 G N 2.736 111.432 108.800 -0.174 0.000 2.316 154 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.203 154 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.203 154 G C 0.231 175.047 174.900 -0.140 0.000 0.999 154 G CA -0.498 44.513 45.100 -0.149 0.000 0.649 154 G HN 0.388 nan 8.290 nan 0.000 0.489 175 L N 0.294 121.567 121.223 0.083 0.000 2.283 175 L HA 0.689 5.029 4.340 -0.000 0.000 0.259 175 L C -2.585 174.221 176.870 -0.108 0.000 1.027 175 L CA -2.775 52.016 54.840 -0.082 0.000 0.828 175 L CB 1.903 43.876 42.059 -0.143 0.000 1.380 175 L HN 0.482 nan 8.230 nan 0.000 0.425 176 P HA 0.081 nan 4.420 nan 0.000 0.264 176 P C -0.861 176.357 177.300 -0.136 0.000 1.193 176 P CA 0.113 63.100 63.100 -0.188 0.000 0.763 176 P CB 0.594 32.137 31.700 -0.261 0.000 0.810 177 S N 1.299 116.926 115.700 -0.123 0.000 2.593 177 S HA 0.268 4.738 4.470 -0.000 0.000 0.269 177 S C 0.068 174.614 174.600 -0.090 0.000 1.334 177 S CA -0.515 57.630 58.200 -0.091 0.000 1.015 177 S CB 0.500 63.651 63.200 -0.082 0.000 0.912 177 S HN 0.161 nan 8.310 nan 0.000 0.541 178 V N 2.664 122.556 119.914 -0.036 0.000 2.378 178 V HA 0.482 4.601 4.120 -0.000 0.000 0.288 178 V C 0.408 176.532 176.094 0.050 0.000 1.016 178 V CA -0.742 61.559 62.300 0.002 0.000 0.840 178 V CB 1.205 33.034 31.823 0.010 0.000 0.994 178 V HN 1.037 nan 8.190 nan 0.000 0.431 179 T N 1.903 116.522 114.554 0.108 0.000 2.895 179 T HA 0.785 5.135 4.350 -0.000 0.000 0.283 179 T C 0.283 175.105 174.700 0.203 0.000 1.014 179 T CA -0.308 61.896 62.100 0.172 0.000 1.037 179 T CB 1.854 70.888 68.868 0.276 0.000 1.006 179 T HN 0.817 nan 8.240 nan 0.000 0.468 180 G N 1.070 109.980 108.800 0.184 0.000 2.502 180 G HA2 0.574 4.534 3.960 -0.000 0.000 0.305 180 G HA3 0.574 4.534 3.960 -0.000 0.000 0.305 180 G C -1.558 173.522 174.900 0.300 0.000 1.190 180 G CA -0.962 44.246 45.100 0.181 0.000 0.933 180 G HN 0.844 nan 8.290 nan 0.000 0.503 181 W N 0.473 121.771 121.300 -0.003 0.000 3.419 181 W HA 0.476 5.136 4.660 -0.000 0.000 0.298 181 W C -2.482 173.967 176.519 -0.116 0.000 1.260 181 W CA -0.619 56.705 57.345 -0.036 0.000 1.199 181 W CB 2.246 31.710 29.460 0.008 0.000 1.349 181 W HN 0.610 nan 8.180 nan 0.000 0.557 182 D N 2.075 121.799 120.400 -1.126 0.000 2.763 182 D HA 0.284 4.924 4.640 -0.000 0.000 0.235 182 D C 0.506 176.134 176.300 -1.120 0.000 1.334 182 D CA -0.124 53.376 54.000 -0.833 0.000 0.950 182 D CB 2.175 42.695 40.800 -0.467 0.000 1.433 182 D HN 0.140 nan 8.370 nan 0.000 0.580 183 T N 1.863 116.013 114.554 -0.674 0.000 2.746 183 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 183 T C 1.779 176.405 174.700 -0.123 0.000 1.039 183 T CA 1.020 62.969 62.100 -0.252 0.000 1.142 183 T CB -0.079 68.860 68.868 0.118 0.000 0.866 183 T HN 0.264 nan 8.240 nan 0.000 0.444 184 R N 1.759 122.180 120.500 -0.132 0.000 2.105 184 R HA 0.003 4.343 4.340 -0.000 0.000 0.239 184 R C 2.050 178.298 176.300 -0.086 0.000 1.135 184 R CA 1.597 57.657 56.100 -0.067 0.000 0.967 184 R CB -0.394 29.864 30.300 -0.071 0.000 0.861 184 R HN 0.347 nan 8.270 nan 0.000 0.442 185 K N -0.442 119.847 120.400 -0.186 0.000 2.057 185 K HA -0.001 4.319 4.320 -0.000 0.000 0.206 185 K C 2.059 178.595 176.600 -0.107 0.000 1.050 185 K CA 1.358 57.544 56.287 -0.170 0.000 0.935 185 K CB -0.194 32.151 32.500 -0.259 0.000 0.715 185 K HN 0.259 nan 8.250 nan 0.000 0.439 186 A N 1.493 124.201 122.820 -0.186 0.000 1.898 186 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 186 A C 2.109 179.814 177.584 0.201 0.000 1.181 186 A CA 1.135 53.188 52.037 0.027 0.000 0.620 186 A CB -0.630 18.374 19.000 0.007 0.000 0.819 186 A HN 0.149 nan 8.150 nan 0.000 0.442 187 L N -0.126 121.205 121.223 0.180 0.000 2.127 187 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 187 L C 1.906 178.842 176.870 0.110 0.000 1.089 187 L CA 1.169 56.106 54.840 0.162 0.000 0.757 187 L CB -0.551 41.590 42.059 0.137 0.000 0.899 187 L HN 0.400 nan 8.230 nan 0.000 0.434 188 N N -1.552 117.207 118.700 0.097 0.000 2.416 188 N HA -0.132 4.608 4.740 -0.000 0.000 0.177 188 N C 1.547 177.146 175.510 0.149 0.000 1.036 188 N CA 0.814 53.921 53.050 0.095 0.000 0.901 188 N CB 0.003 38.530 38.487 0.068 0.000 0.976 188 N HN 0.299 nan 8.380 nan 0.000 0.444 189 Y N 1.177 121.484 120.300 0.011 0.000 2.266 189 Y HA 0.094 4.644 4.550 -0.000 0.000 0.294 189 Y C 2.210 178.123 175.900 0.021 0.000 1.127 189 Y CA 0.488 58.592 58.100 0.007 0.000 1.140 189 Y CB -0.406 38.052 38.460 -0.002 0.000 1.071 189 Y HN -0.275 nan 8.280 nan 0.000 0.525 190 V N 2.647 122.652 119.914 0.152 0.000 2.278 190 V HA -0.298 3.822 4.120 -0.000 0.000 0.251 190 V C -0.574 175.537 176.094 0.027 0.000 1.062 190 V CA 2.632 64.971 62.300 0.065 0.000 1.038 190 V CB -2.004 29.892 31.823 0.122 0.000 0.646 190 V HN 0.355 nan 8.190 nan 0.000 0.447 191 P HA -0.155 nan 4.420 nan 0.000 0.220 191 P C 1.351 178.621 177.300 -0.051 0.000 1.148 191 P CA 1.375 64.524 63.100 0.082 0.000 0.803 191 P CB -0.078 31.694 31.700 0.120 0.000 0.782 192 K N -0.668 119.644 120.400 -0.146 0.000 2.217 192 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 192 K C 2.121 178.497 176.600 -0.374 0.000 1.051 192 K CA 0.589 56.725 56.287 -0.251 0.000 0.952 192 K CB -0.624 31.712 32.500 -0.274 0.000 0.736 192 K HN 0.073 nan 8.250 nan 0.000 0.453 193 L N 0.557 121.526 121.223 -0.424 0.000 1.994 193 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 193 L C 1.825 178.333 176.870 -0.602 0.000 1.071 193 L CA 1.788 56.318 54.840 -0.518 0.000 0.745 193 L CB -0.515 41.215 42.059 -0.549 0.000 0.892 193 L HN -0.001 nan 8.230 nan 0.000 0.431 194 F N 0.172 119.873 119.950 -0.416 0.000 2.293 194 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 194 F C 2.559 177.818 175.800 -0.900 0.000 1.086 194 F CA 1.400 59.098 58.000 -0.503 0.000 1.375 194 F CB -0.459 38.332 39.000 -0.348 0.000 1.045 194 F HN 0.338 nan 8.300 nan 0.000 0.516 195 E N 0.550 120.148 120.200 -1.003 0.000 2.072 195 E HA -0.249 4.101 4.350 -0.000 0.000 0.191 195 E C 2.026 178.369 176.600 -0.429 0.000 0.985 195 E CA 1.268 57.088 56.400 -0.967 0.000 0.801 195 E CB -0.035 29.362 29.700 -0.505 0.000 0.750 195 E HN 0.287 nan 8.360 nan 0.000 0.452 196 E N 0.547 120.521 120.200 -0.377 0.000 2.106 196 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 196 E C 2.066 178.483 176.600 -0.306 0.000 0.984 196 E CA 0.811 57.036 56.400 -0.291 0.000 0.806 196 E CB -0.141 29.392 29.700 -0.279 0.000 0.750 196 E HN 0.337 nan 8.360 nan 0.000 0.458 197 L N -0.036 120.991 121.223 -0.327 0.000 2.046 197 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 197 L C 2.495 179.247 176.870 -0.197 0.000 1.077 197 L CA 0.992 55.695 54.840 -0.229 0.000 0.747 197 L CB -0.315 41.614 42.059 -0.217 0.000 0.896 197 L HN 0.072 nan 8.230 nan 0.000 0.432 198 R N 0.372 120.717 120.500 -0.258 0.000 2.073 198 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 198 R C 2.156 178.348 176.300 -0.180 0.000 1.120 198 R CA 1.064 56.962 56.100 -0.336 0.000 0.967 198 R CB -0.446 29.567 30.300 -0.477 0.000 0.862 198 R HN 0.359 nan 8.270 nan 0.000 0.436 199 K N -0.318 120.000 120.400 -0.136 0.000 2.097 199 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 199 K C 1.868 178.385 176.600 -0.138 0.000 1.049 199 K CA 1.727 57.967 56.287 -0.079 0.000 0.933 199 K CB 0.028 32.477 32.500 -0.085 0.000 0.717 199 K HN 0.151 nan 8.250 nan 0.000 0.442 200 T N -0.488 113.899 114.554 -0.278 0.000 2.894 200 T HA -0.043 4.307 4.350 -0.000 0.000 0.258 200 T C 0.949 175.365 174.700 -0.474 0.000 1.043 200 T CA 1.000 62.818 62.100 -0.470 0.000 1.141 200 T CB -0.043 68.332 68.868 -0.821 0.000 0.873 200 T HN 0.165 nan 8.240 nan 0.000 0.449 201 Y N 0.755 121.019 120.300 -0.060 0.000 2.481 201 Y HA 0.494 5.044 4.550 -0.000 0.000 0.247 201 Y C 1.510 177.435 175.900 0.042 0.000 1.151 201 Y CA -0.551 57.537 58.100 -0.021 0.000 1.238 201 Y CB -0.066 38.346 38.460 -0.080 0.000 1.179 201 Y HN 0.340 nan 8.280 nan 0.000 0.524 202 G N 0.391 109.257 108.800 0.109 0.000 2.782 202 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.228 202 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.228 202 G C -0.048 174.892 174.900 0.067 0.000 1.372 202 G CA -0.210 44.986 45.100 0.161 0.000 0.862 202 G HN 0.205 nan 8.290 nan 0.000 0.547 203 F N -0.137 119.892 119.950 0.132 0.000 2.693 203 F HA 0.255 4.782 4.527 -0.000 0.000 0.303 203 F C 2.004 177.838 175.800 0.056 0.000 1.097 203 F CA 0.271 58.341 58.000 0.117 0.000 1.330 203 F CB 0.597 39.653 39.000 0.093 0.000 1.067 203 F HN 0.426 nan 8.300 nan 0.000 0.565 204 D N -0.271 120.214 120.400 0.143 0.000 2.378 204 D HA -0.047 4.593 4.640 -0.000 0.000 0.227 204 D C -0.075 175.991 176.300 -0.391 0.000 1.012 204 D CA 0.757 54.692 54.000 -0.109 0.000 0.905 204 D CB 0.037 40.728 40.800 -0.181 0.000 0.895 204 D HN 0.323 nan 8.370 nan 0.000 0.532 205 H N -1.194 117.848 119.070 -0.047 0.000 2.622 205 H HA 0.259 4.815 4.556 -0.000 0.000 0.363 205 H C -0.084 175.186 175.328 -0.097 0.000 1.151 205 H CA -0.705 55.267 56.048 -0.126 0.000 1.184 205 H CB 0.959 30.679 29.762 -0.070 0.000 1.643 205 H HN -0.020 nan 8.280 nan 0.000 0.531 206 H N 2.479 121.610 119.070 0.101 0.000 2.819 206 H HA 0.170 4.725 4.556 -0.000 0.000 0.303 206 H C -0.253 175.064 175.328 -0.019 0.000 1.058 206 H CA 0.059 56.120 56.048 0.021 0.000 1.471 206 H CB 0.310 29.921 29.762 -0.252 0.000 1.480 206 H HN 0.331 nan 8.280 nan 0.000 0.517 207 L N 5.160 126.487 121.223 0.173 0.000 2.333 207 L HA 0.295 4.635 4.340 -0.000 0.000 0.280 207 L C -0.611 176.302 176.870 0.073 0.000 1.004 207 L CA -0.821 54.105 54.840 0.144 0.000 0.820 207 L CB 1.312 43.538 42.059 0.278 0.000 1.247 207 L HN 0.210 nan 8.230 nan 0.000 0.416 208 L N 2.409 123.606 121.223 -0.044 0.000 2.319 208 L HA 0.600 4.940 4.340 -0.000 0.000 0.267 208 L C -0.622 176.313 176.870 0.107 0.000 1.011 208 L CA -0.579 54.146 54.840 -0.192 0.000 0.818 208 L CB 1.654 43.241 42.059 -0.787 0.000 1.316 208 L HN 0.400 nan 8.230 nan 0.000 0.432 209 H N -0.154 118.944 119.070 0.047 0.000 2.865 209 H HA 0.452 5.008 4.556 -0.000 0.000 0.362 209 H C -1.754 173.666 175.328 0.153 0.000 1.114 209 H CA -0.640 55.488 56.048 0.133 0.000 1.208 209 H CB 1.613 31.397 29.762 0.036 0.000 1.727 209 H HN 0.524 nan 8.280 nan 0.000 0.534 210 D N 2.560 122.676 120.400 -0.474 0.000 2.427 210 D HA 0.230 4.870 4.640 -0.000 0.000 0.226 210 D C 1.112 177.191 176.300 -0.368 0.000 1.076 210 D CA 0.047 53.879 54.000 -0.281 0.000 0.849 210 D CB 1.153 41.872 40.800 -0.136 0.000 1.052 210 D HN 0.883 nan 8.370 nan 0.000 0.515 211 G N 2.151 110.858 108.800 -0.155 0.000 2.534 211 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 211 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 211 G C 0.875 175.742 174.900 -0.056 0.000 1.128 211 G CA 0.068 45.224 45.100 0.092 0.000 0.784 211 G HN 0.852 nan 8.290 nan 0.000 0.542 212 H N 0.919 119.745 119.070 -0.406 0.000 2.604 212 H HA -0.189 4.367 4.556 -0.000 0.000 0.321 212 H C 0.515 175.507 175.328 -0.560 0.000 1.132 212 H CA 1.156 56.840 56.048 -0.608 0.000 1.129 212 H CB -1.567 27.868 29.762 -0.545 0.000 1.526 212 H HN 0.799 nan 8.280 nan 0.000 0.415 213 H N -1.905 117.024 119.070 -0.234 0.000 3.141 213 H HA -0.204 4.352 4.556 -0.000 0.000 0.260 213 H C 1.481 176.631 175.328 -0.296 0.000 1.132 213 H CA 1.161 57.072 56.048 -0.229 0.000 1.171 213 H CB -0.800 28.794 29.762 -0.281 0.000 1.274 213 H HN 0.479 nan 8.280 nan 0.000 0.329 214 R N 0.180 120.497 120.500 -0.305 0.000 2.240 214 R HA 0.085 4.425 4.340 -0.000 0.000 0.203 214 R C 0.426 176.614 176.300 -0.187 0.000 1.011 214 R CA 0.590 56.386 56.100 -0.507 0.000 1.007 214 R CB 0.055 29.496 30.300 -1.432 0.000 0.911 214 R HN 0.333 nan 8.270 nan 0.000 0.468 215 Y N 0.244 120.636 120.300 0.152 0.000 2.457 215 Y HA 0.229 4.779 4.550 -0.000 0.000 0.333 215 Y C 1.199 177.191 175.900 0.153 0.000 1.119 215 Y CA -1.032 57.202 58.100 0.223 0.000 1.143 215 Y CB 0.869 39.416 38.460 0.144 0.000 1.230 215 Y HN -0.135 nan 8.280 nan 0.000 0.469 216 T N -1.692 113.067 114.554 0.341 0.000 2.816 216 T HA 0.212 4.562 4.350 -0.000 0.000 0.282 216 T C -2.121 172.653 174.700 0.124 0.000 0.993 216 T CA -1.841 60.384 62.100 0.209 0.000 0.994 216 T CB 1.251 70.242 68.868 0.204 0.000 1.025 216 T HN 0.321 nan 8.240 nan 0.000 0.529 217 P HA -0.159 nan 4.420 nan 0.000 0.215 217 P C 1.877 179.165 177.300 -0.019 0.000 1.153 217 P CA 0.836 63.926 63.100 -0.017 0.000 0.853 217 P CB 0.013 31.713 31.700 0.000 0.000 0.788 218 Q N 0.583 120.388 119.800 0.008 0.000 2.050 218 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 218 Q C 1.872 177.862 176.000 -0.016 0.000 0.980 218 Q CA 1.917 57.704 55.803 -0.028 0.000 0.840 218 Q CB -0.500 28.230 28.738 -0.014 0.000 0.898 218 Q HN 0.355 nan 8.270 nan 0.000 0.424 219 E N 0.109 120.346 120.200 0.062 0.000 2.106 219 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 219 E C 1.939 178.532 176.600 -0.011 0.000 0.984 219 E CA 0.946 57.408 56.400 0.102 0.000 0.806 219 E CB -0.137 29.741 29.700 0.297 0.000 0.750 219 E HN 0.454 nan 8.360 nan 0.000 0.458 220 A N 1.556 124.356 122.820 -0.035 0.000 1.930 220 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 220 A C 2.401 179.884 177.584 -0.169 0.000 1.175 220 A CA 1.529 53.457 52.037 -0.182 0.000 0.627 220 A CB -0.570 18.324 19.000 -0.177 0.000 0.815 220 A HN 0.285 nan 8.150 nan 0.000 0.443 221 A N 0.357 123.109 122.820 -0.114 0.000 1.933 221 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 221 A C 2.001 179.536 177.584 -0.081 0.000 1.175 221 A CA 2.066 54.053 52.037 -0.082 0.000 0.628 221 A CB -0.665 18.287 19.000 -0.080 0.000 0.814 221 A HN 0.597 nan 8.150 nan 0.000 0.444 222 N N 0.043 118.689 118.700 -0.089 0.000 2.058 222 N HA -0.141 4.599 4.740 -0.000 0.000 0.191 222 N C 1.599 177.064 175.510 -0.075 0.000 1.037 222 N CA 1.754 54.764 53.050 -0.068 0.000 0.848 222 N CB -0.504 37.958 38.487 -0.041 0.000 1.021 222 N HN 0.289 nan 8.380 nan 0.000 0.422 223 L N 0.563 121.710 121.223 -0.127 0.000 2.012 223 L HA 0.061 4.401 4.340 -0.000 0.000 0.210 223 L C 2.156 178.948 176.870 -0.131 0.000 1.073 223 L CA 2.317 57.060 54.840 -0.162 0.000 0.748 223 L CB -1.355 40.489 42.059 -0.359 0.000 0.891 223 L HN 0.279 nan 8.230 nan 0.000 0.431 224 G N -0.827 107.891 108.800 -0.136 0.000 2.440 224 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.218 224 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.218 224 G C 1.739 176.599 174.900 -0.067 0.000 1.154 224 G CA 0.955 45.995 45.100 -0.100 0.000 0.767 224 G HN 0.475 nan 8.290 nan 0.000 0.552 225 K N -0.323 120.046 120.400 -0.051 0.000 2.097 225 K HA 0.069 4.389 4.320 -0.000 0.000 0.205 225 K C 2.531 179.103 176.600 -0.046 0.000 1.050 225 K CA 0.896 57.162 56.287 -0.035 0.000 0.938 225 K CB -0.200 32.292 32.500 -0.014 0.000 0.718 225 K HN 0.303 nan 8.250 nan 0.000 0.442 226 M N 0.479 120.058 119.600 -0.036 0.000 2.394 226 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 226 M C 1.654 177.958 176.300 0.006 0.000 1.073 226 M CA 1.051 56.346 55.300 -0.009 0.000 1.111 226 M CB 0.112 32.726 32.600 0.023 0.000 1.401 226 M HN 0.158 nan 8.290 nan 0.000 0.448 227 L N -0.780 120.433 121.223 -0.016 0.000 2.509 227 L HA -0.032 4.308 4.340 -0.000 0.000 0.222 227 L C 1.945 178.770 176.870 -0.075 0.000 1.123 227 L CA 0.252 55.105 54.840 0.022 0.000 0.856 227 L CB -0.347 41.653 42.059 -0.097 0.000 0.985 227 L HN 0.284 nan 8.230 nan 0.000 0.456 228 E N 1.004 121.137 120.200 -0.111 0.000 2.114 228 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 228 E C -0.697 175.806 176.600 -0.161 0.000 1.008 228 E CA 1.576 57.912 56.400 -0.106 0.000 0.810 228 E CB -0.771 28.879 29.700 -0.084 0.000 0.739 228 E HN 0.465 nan 8.360 nan 0.000 0.456 229 P HA -0.142 nan 4.420 nan 0.000 0.234 229 P C 0.189 177.320 177.300 -0.282 0.000 1.167 229 P CA 1.151 64.017 63.100 -0.389 0.000 0.763 229 P CB -0.016 31.361 31.700 -0.540 0.000 0.835 230 Y N -0.481 119.934 120.300 0.191 0.000 2.457 230 Y HA 0.204 4.754 4.550 0.000 0.000 0.263 230 Y C 0.980 177.026 175.900 0.243 0.000 1.164 230 Y CA -0.804 57.426 58.100 0.217 0.000 1.274 230 Y CB -0.717 37.808 38.460 0.109 0.000 1.097 230 Y HN -0.098 nan 8.280 nan 0.000 0.523 231 Q N 0.467 120.438 119.800 0.285 0.000 2.439 231 Q HA -0.205 4.135 4.340 -0.000 0.000 0.361 231 Q C -0.816 175.312 176.000 0.213 0.000 1.408 231 Q CA 0.409 56.361 55.803 0.248 0.000 1.052 231 Q CB -1.522 27.442 28.738 0.378 0.000 1.233 231 Q HN 0.378 nan 8.270 nan 0.000 0.347 232 L N -0.036 121.256 121.223 0.116 0.000 2.436 232 L HA 0.146 4.486 4.340 -0.000 0.000 0.265 232 L C 1.579 178.533 176.870 0.141 0.000 1.168 232 L CA 0.388 55.280 54.840 0.087 0.000 0.815 232 L CB -0.047 41.969 42.059 -0.072 0.000 1.109 232 L HN 0.384 nan 8.230 nan 0.000 0.462 233 F N 1.801 121.738 119.950 -0.022 0.000 2.186 233 F HA -0.003 4.524 4.527 0.000 0.000 0.299 233 F C 0.074 175.889 175.800 0.025 0.000 1.090 233 F CA 0.903 58.850 58.000 -0.087 0.000 1.307 233 F CB 0.253 39.043 39.000 -0.351 0.000 1.019 233 F HN 0.526 nan 8.300 nan 0.000 0.489 234 W N -0.276 121.016 121.300 -0.014 0.000 3.064 234 W HA 0.458 5.118 4.660 -0.000 0.000 0.328 234 W C -2.757 173.718 176.519 -0.073 0.000 1.210 234 W CA -2.391 54.904 57.345 -0.084 0.000 1.178 234 W CB -0.123 29.241 29.460 -0.160 0.000 1.416 234 W HN -0.085 nan 8.180 nan 0.000 0.568 235 L N 3.021 124.421 121.223 0.295 0.000 2.343 235 L HA 0.590 4.930 4.340 -0.000 0.000 0.278 235 L C -0.190 176.660 176.870 -0.033 0.000 0.996 235 L CA -0.620 54.307 54.840 0.145 0.000 0.831 235 L CB 1.335 43.404 42.059 0.016 0.000 1.232 235 L HN 0.588 nan 8.230 nan 0.000 0.413 236 E N 3.337 123.481 120.200 -0.093 0.000 2.214 236 E HA 0.243 4.593 4.350 -0.000 0.000 0.274 236 E C -0.688 175.759 176.600 -0.254 0.000 0.977 236 E CA -0.478 55.721 56.400 -0.334 0.000 0.827 236 E CB 0.962 30.424 29.700 -0.398 0.000 1.130 236 E HN 0.714 nan 8.360 nan 0.000 0.394 237 D N 2.445 122.690 120.400 -0.260 0.000 2.720 237 D HA -0.223 4.417 4.640 -0.000 0.000 0.229 237 D C 1.172 177.345 176.300 -0.211 0.000 1.198 237 D CA 0.997 54.833 54.000 -0.273 0.000 0.639 237 D CB -1.826 38.542 40.800 -0.721 0.000 1.003 237 D HN 0.583 nan 8.370 nan 0.000 0.411 238 C N -2.612 116.624 119.300 -0.107 0.000 2.422 238 C HA 0.063 4.523 4.460 -0.000 0.000 0.279 238 C C 1.254 176.241 174.990 -0.005 0.000 1.305 238 C CA 0.791 59.759 59.018 -0.084 0.000 1.757 238 C CB -0.378 27.228 27.740 -0.223 0.000 1.962 238 C HN 0.555 nan 8.230 nan 0.000 0.499 239 T N -0.300 114.220 114.554 -0.058 0.000 2.932 239 T HA 0.543 4.893 4.350 -0.000 0.000 0.318 239 T C -3.169 171.623 174.700 0.153 0.000 1.265 239 T CA -0.701 61.414 62.100 0.025 0.000 1.036 239 T CB 1.498 70.332 68.868 -0.057 0.000 1.209 239 T HN -0.026 nan 8.240 nan 0.000 0.484 240 P HA 0.242 nan 4.420 nan 0.000 0.264 240 P C -0.629 176.791 177.300 0.199 0.000 1.183 240 P CA 0.114 63.282 63.100 0.113 0.000 0.763 240 P CB 0.433 32.110 31.700 -0.039 0.000 0.807 241 A N 3.021 125.978 122.820 0.228 0.000 2.535 241 A HA 0.110 4.429 4.320 -0.000 0.000 0.273 241 A C 1.539 179.186 177.584 0.106 0.000 1.267 241 A CA -0.017 52.157 52.037 0.229 0.000 0.940 241 A CB -0.507 18.653 19.000 0.268 0.000 1.101 241 A HN 0.429 nan 8.150 nan 0.000 0.521 242 E N 0.847 121.084 120.200 0.063 0.000 2.097 242 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 242 E C 0.879 177.478 176.600 -0.002 0.000 1.000 242 E CA 1.170 57.575 56.400 0.007 0.000 0.804 242 E CB -0.040 29.658 29.700 -0.003 0.000 0.740 242 E HN 0.567 nan 8.360 nan 0.000 0.454 243 N N 0.739 119.456 118.700 0.028 0.000 2.500 243 N HA 0.026 4.766 4.740 -0.000 0.000 0.236 243 N C -0.061 175.479 175.510 0.051 0.000 1.022 243 N CA 0.094 53.162 53.050 0.030 0.000 0.935 243 N CB 0.652 39.164 38.487 0.041 0.000 1.147 243 N HN 0.084 nan 8.380 nan 0.000 0.512 244 Q N 1.559 121.364 119.800 0.008 0.000 2.297 244 Q HA -0.135 4.205 4.340 -0.000 0.000 0.208 244 Q C 0.487 176.519 176.000 0.053 0.000 0.981 244 Q CA 1.221 57.020 55.803 -0.006 0.000 0.876 244 Q CB 0.233 28.927 28.738 -0.073 0.000 0.921 244 Q HN 0.701 nan 8.270 nan 0.000 0.446 245 E N 0.297 120.534 120.200 0.061 0.000 2.418 245 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 245 E C 1.783 178.459 176.600 0.127 0.000 1.026 245 E CA 0.431 56.877 56.400 0.076 0.000 0.862 245 E CB -0.016 29.714 29.700 0.050 0.000 0.799 245 E HN 0.336 nan 8.360 nan 0.000 0.518 246 A N 0.726 123.648 122.820 0.171 0.000 2.024 246 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 246 A C 1.576 179.288 177.584 0.213 0.000 1.164 246 A CA 1.032 53.181 52.037 0.187 0.000 0.643 246 A CB -0.469 18.657 19.000 0.211 0.000 0.806 246 A HN 0.170 nan 8.150 nan 0.000 0.451 247 F N -0.630 119.331 119.950 0.019 0.000 2.710 247 F HA 0.129 4.656 4.527 -0.000 0.000 0.298 247 F C 2.124 177.931 175.800 0.011 0.000 1.137 247 F CA 0.474 58.481 58.000 0.011 0.000 1.444 247 F CB -0.277 38.721 39.000 -0.002 0.000 1.111 247 F HN 0.224 nan 8.300 nan 0.000 0.580 248 R N 0.267 120.868 120.500 0.168 0.000 2.083 248 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 248 R C 2.275 178.622 176.300 0.078 0.000 1.137 248 R CA 1.242 57.400 56.100 0.097 0.000 0.951 248 R CB -0.531 29.812 30.300 0.071 0.000 0.851 248 R HN 0.234 nan 8.270 nan 0.000 0.434 249 L N 0.923 122.196 121.223 0.083 0.000 2.046 249 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 249 L C 2.129 179.084 176.870 0.143 0.000 1.077 249 L CA 1.625 56.541 54.840 0.126 0.000 0.747 249 L CB -0.676 41.436 42.059 0.088 0.000 0.896 249 L HN 0.159 nan 8.230 nan 0.000 0.432 250 V N 0.152 120.080 119.914 0.024 0.000 2.295 250 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 250 V C 2.726 178.830 176.094 0.015 0.000 1.049 250 V CA 1.828 64.110 62.300 -0.031 0.000 1.024 250 V CB -0.771 30.922 31.823 -0.217 0.000 0.648 250 V HN 0.390 nan 8.190 nan 0.000 0.447 251 R N 0.483 120.999 120.500 0.028 0.000 2.096 251 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 251 R C 2.336 178.632 176.300 -0.006 0.000 1.127 251 R CA 1.903 58.019 56.100 0.027 0.000 0.968 251 R CB -0.671 29.660 30.300 0.052 0.000 0.861 251 R HN 0.696 nan 8.270 nan 0.000 0.440 252 Q N -1.171 118.617 119.800 -0.020 0.000 2.230 252 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 252 Q C 0.655 176.494 176.000 -0.269 0.000 0.963 252 Q CA 1.620 57.337 55.803 -0.143 0.000 0.866 252 Q CB 0.060 28.684 28.738 -0.190 0.000 0.931 252 Q HN 0.584 nan 8.270 nan 0.000 0.452 253 H N -1.140 117.917 119.070 -0.022 0.000 2.586 253 H HA 0.274 4.830 4.556 -0.000 0.000 0.273 253 H C -0.580 174.727 175.328 -0.034 0.000 0.997 253 H CA 0.607 56.639 56.048 -0.027 0.000 1.177 253 H CB 1.227 30.972 29.762 -0.028 0.000 1.471 253 H HN 0.017 nan 8.280 nan 0.000 0.538 254 T N -0.454 114.124 114.554 0.041 0.000 2.889 254 T HA 0.263 4.613 4.350 -0.000 0.000 0.315 254 T C 0.325 175.020 174.700 -0.009 0.000 1.291 254 T CA -0.578 61.528 62.100 0.010 0.000 1.028 254 T CB 1.163 70.030 68.868 -0.003 0.000 1.235 254 T HN -0.038 nan 8.240 nan 0.000 0.491 255 V N 0.696 120.601 119.914 -0.015 0.000 3.542 255 V HA 0.381 4.501 4.120 -0.000 0.000 0.296 255 V C 0.959 177.047 176.094 -0.010 0.000 1.364 255 V CA -0.132 62.158 62.300 -0.015 0.000 1.118 255 V CB -0.582 31.230 31.823 -0.019 0.000 0.972 255 V HN 0.825 nan 8.190 nan 0.000 0.430 256 T N 4.236 118.783 114.554 -0.012 0.000 2.888 256 T HA 0.263 4.613 4.350 -0.000 0.000 0.301 256 T C -2.269 172.440 174.700 0.015 0.000 1.001 256 T CA -0.033 62.064 62.100 -0.005 0.000 1.147 256 T CB 0.849 69.700 68.868 -0.028 0.000 0.931 256 T HN 0.348 nan 8.240 nan 0.000 0.541 257 P HA 0.213 nan 4.420 nan 0.000 0.268 257 P C -0.737 176.627 177.300 0.108 0.000 1.205 257 P CA -0.100 63.047 63.100 0.079 0.000 0.771 257 P CB 0.443 32.213 31.700 0.117 0.000 0.858 258 L N 1.970 123.249 121.223 0.092 0.000 2.346 258 L HA 0.810 5.150 4.340 -0.000 0.000 0.274 258 L C 0.101 176.969 176.870 -0.002 0.000 1.007 258 L CA -0.802 54.080 54.840 0.070 0.000 0.818 258 L CB 1.960 44.108 42.059 0.149 0.000 1.284 258 L HN 0.345 nan 8.230 nan 0.000 0.424 259 A N 2.564 125.252 122.820 -0.220 0.000 2.454 259 A HA 0.932 5.252 4.320 -0.000 0.000 0.302 259 A C -1.306 176.021 177.584 -0.428 0.000 1.079 259 A CA -0.629 51.099 52.037 -0.514 0.000 0.731 259 A CB 2.386 20.466 19.000 -1.534 0.000 1.299 259 A HN 0.493 nan 8.150 nan 0.000 0.413 260 V N 0.009 119.651 119.914 -0.454 0.000 3.279 260 V HA 0.686 4.806 4.120 -0.000 0.000 0.281 260 V C 0.417 176.102 176.094 -0.682 0.000 1.601 260 V CA 0.756 62.765 62.300 -0.485 0.000 1.044 260 V CB 1.921 33.495 31.823 -0.416 0.000 1.205 260 V HN 2.599 nan 8.190 nan 0.000 0.464 261 G N 2.574 110.744 108.800 -1.051 0.000 2.273 261 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.162 261 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.162 261 G C 0.559 175.013 174.900 -0.744 0.000 1.006 261 G CA 0.925 45.157 45.100 -1.446 0.000 0.704 261 G HN 1.384 nan 8.290 nan 0.000 0.487 262 E N 0.990 120.888 120.200 -0.503 0.000 2.153 262 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 262 E C 2.367 178.807 176.600 -0.266 0.000 0.988 262 E CA 1.392 57.571 56.400 -0.369 0.000 0.811 262 E CB -0.403 28.927 29.700 -0.617 0.000 0.746 262 E HN 0.942 nan 8.360 nan 0.000 0.466 263 I N -1.885 118.546 120.570 -0.231 0.000 3.793 263 I HA 0.210 4.380 4.170 -0.000 0.000 0.315 263 I C -0.167 176.049 176.117 0.165 0.000 1.275 263 I CA -0.621 60.654 61.300 -0.042 0.000 1.214 263 I CB -0.153 37.822 38.000 -0.042 0.000 1.018 263 I HN -0.227 nan 8.210 nan 0.000 0.439 264 F N 3.671 123.600 119.950 -0.036 0.000 2.450 264 F HA 0.188 4.715 4.527 -0.000 0.000 0.339 264 F C 1.226 177.041 175.800 0.026 0.000 1.146 264 F CA -0.988 57.007 58.000 -0.009 0.000 1.267 264 F CB 0.364 39.349 39.000 -0.025 0.000 1.178 264 F HN 0.265 nan 8.300 nan 0.000 0.585 265 N N -2.041 116.798 118.700 0.232 0.000 2.168 265 N HA 0.108 4.848 4.740 -0.000 0.000 0.216 265 N C -0.284 175.342 175.510 0.195 0.000 1.259 265 N CA 0.138 53.295 53.050 0.177 0.000 0.902 265 N CB 0.596 39.156 38.487 0.122 0.000 1.079 265 N HN 0.494 nan 8.380 nan 0.000 0.507 266 T N -3.715 110.956 114.554 0.194 0.000 2.816 266 T HA 0.339 4.689 4.350 -0.000 0.000 0.299 266 T C 0.426 175.208 174.700 0.136 0.000 1.230 266 T CA -0.942 61.308 62.100 0.251 0.000 1.007 266 T CB 0.995 70.032 68.868 0.282 0.000 1.289 266 T HN 0.000 nan 8.240 nan 0.000 0.508 267 I N -0.246 120.380 120.570 0.092 0.000 2.454 267 I HA 0.014 4.184 4.170 -0.000 0.000 0.254 267 I C 1.378 177.217 176.117 -0.462 0.000 1.156 267 I CA 1.021 62.109 61.300 -0.352 0.000 1.433 267 I CB -0.024 37.586 38.000 -0.651 0.000 1.082 267 I HN 0.771 nan 8.210 nan 0.000 0.432 268 W N 0.878 122.189 121.300 0.019 0.000 2.468 268 W HA -0.148 4.512 4.660 -0.000 0.000 0.262 268 W C 1.782 178.193 176.519 -0.181 0.000 1.241 268 W CA 0.189 57.502 57.345 -0.054 0.000 1.232 268 W CB -0.396 29.060 29.460 -0.007 0.000 1.124 268 W HN 0.154 nan 8.180 nan 0.000 0.597 269 D N -0.382 119.908 120.400 -0.183 0.000 2.363 269 D HA 0.034 4.674 4.640 -0.000 0.000 0.220 269 D C 1.720 177.522 176.300 -0.831 0.000 0.994 269 D CA 1.086 54.724 54.000 -0.603 0.000 0.890 269 D CB 0.063 40.260 40.800 -1.005 0.000 0.906 269 D HN 0.238 nan 8.370 nan 0.000 0.530 270 A N 0.329 122.891 122.820 -0.431 0.000 2.548 270 A HA 0.088 4.408 4.320 -0.000 0.000 0.236 270 A C 1.694 179.176 177.584 -0.171 0.000 1.246 270 A CA 0.005 51.899 52.037 -0.239 0.000 0.993 270 A CB 0.142 19.141 19.000 -0.001 0.000 1.209 270 A HN 0.093 nan 8.150 nan 0.000 0.570 271 E N 0.939 121.038 120.200 -0.168 0.000 2.097 271 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 271 E C 0.818 177.339 176.600 -0.131 0.000 1.000 271 E CA 1.807 58.122 56.400 -0.142 0.000 0.804 271 E CB -0.329 29.324 29.700 -0.079 0.000 0.740 271 E HN 0.408 nan 8.360 nan 0.000 0.454 272 D N 0.505 120.841 120.400 -0.106 0.000 2.162 272 D HA -0.011 4.629 4.640 -0.000 0.000 0.203 272 D C 2.138 178.349 176.300 -0.150 0.000 0.967 272 D CA 0.686 54.621 54.000 -0.108 0.000 0.840 272 D CB -0.087 40.675 40.800 -0.063 0.000 0.972 272 D HN 0.221 nan 8.370 nan 0.000 0.482 273 L N 0.487 121.612 121.223 -0.163 0.000 2.083 273 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 273 L C 2.460 179.204 176.870 -0.210 0.000 1.083 273 L CA 0.787 55.514 54.840 -0.189 0.000 0.752 273 L CB -0.229 41.686 42.059 -0.239 0.000 0.899 273 L HN 0.010 nan 8.230 nan 0.000 0.433 274 I N -0.815 119.616 120.570 -0.231 0.000 2.193 274 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 274 I C 2.520 178.274 176.117 -0.605 0.000 1.084 274 I CA 1.164 62.285 61.300 -0.298 0.000 1.365 274 I CB -0.257 37.614 38.000 -0.215 0.000 1.064 274 I HN 0.279 nan 8.210 nan 0.000 0.410 275 Q N 0.543 119.968 119.800 -0.624 0.000 2.224 275 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 275 Q C 1.106 176.722 176.000 -0.639 0.000 0.970 275 Q CA 0.919 56.160 55.803 -0.937 0.000 0.865 275 Q CB -0.074 28.432 28.738 -0.388 0.000 0.922 275 Q HN 0.465 nan 8.270 nan 0.000 0.445 276 N N 0.755 119.245 118.700 -0.350 0.000 2.268 276 N HA 0.010 4.750 4.740 -0.000 0.000 0.204 276 N C -0.687 174.735 175.510 -0.147 0.000 1.124 276 N CA 0.174 53.116 53.050 -0.181 0.000 0.838 276 N CB 0.605 39.032 38.487 -0.099 0.000 0.994 276 N HN 0.215 nan 8.380 nan 0.000 0.489 277 Q N 0.221 119.885 119.800 -0.226 0.000 2.439 277 Q HA -0.171 4.169 4.340 -0.000 0.000 0.325 277 Q C 0.309 176.271 176.000 -0.064 0.000 1.372 277 Q CA 0.305 56.038 55.803 -0.118 0.000 0.909 277 Q CB -1.694 27.031 28.738 -0.022 0.000 1.167 277 Q HN 0.452 nan 8.270 nan 0.000 0.418 278 L N -0.365 120.817 121.223 -0.069 0.000 2.585 278 L HA 0.308 4.648 4.340 -0.000 0.000 0.226 278 L C 1.026 177.924 176.870 0.047 0.000 1.113 278 L CA 0.307 55.157 54.840 0.017 0.000 0.876 278 L CB 0.106 42.194 42.059 0.048 0.000 1.072 278 L HN 0.391 nan 8.230 nan 0.000 0.468 279 I N -5.585 114.958 120.570 -0.046 0.000 2.969 279 I HA 0.426 4.596 4.170 -0.000 0.000 0.307 279 I C -0.501 175.552 176.117 -0.106 0.000 1.149 279 I CA -0.754 60.515 61.300 -0.051 0.000 1.008 279 I CB 2.262 40.181 38.000 -0.134 0.000 1.232 279 I HN -0.221 nan 8.210 nan 0.000 0.435 280 D N 1.193 121.518 120.400 -0.125 0.000 2.423 280 D HA 0.143 4.783 4.640 -0.000 0.000 0.212 280 D C -0.761 175.186 176.300 -0.588 0.000 1.060 280 D CA 1.130 54.936 54.000 -0.323 0.000 0.872 280 D CB 0.645 41.264 40.800 -0.302 0.000 1.012 280 D HN 0.460 nan 8.370 nan 0.000 0.503 281 Y N 0.323 120.539 120.300 -0.140 0.000 2.406 281 Y HA 0.379 4.929 4.550 -0.000 0.000 0.340 281 Y C -0.549 175.223 175.900 -0.213 0.000 0.975 281 Y CA -1.158 56.857 58.100 -0.142 0.000 1.056 281 Y CB 2.102 40.500 38.460 -0.103 0.000 1.210 281 Y HN -0.269 nan 8.280 nan 0.000 0.448 282 I N 4.164 124.733 120.570 -0.002 0.000 2.321 282 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 282 I C 0.535 176.626 176.117 -0.045 0.000 0.998 282 I CA -0.427 60.838 61.300 -0.057 0.000 1.227 282 I CB 0.746 38.737 38.000 -0.016 0.000 1.368 282 I HN 0.615 nan 8.210 nan 0.000 0.466 283 R N 5.756 126.161 120.500 -0.158 0.000 2.317 283 R HA 0.347 4.687 4.340 -0.000 0.000 0.208 283 R C 0.510 176.779 176.300 -0.052 0.000 0.914 283 R CA 0.069 56.103 56.100 -0.110 0.000 1.060 283 R CB -0.354 29.805 30.300 -0.236 0.000 1.015 283 R HN 0.697 nan 8.270 nan 0.000 0.498 284 A N 1.962 124.750 122.820 -0.054 0.000 2.555 284 A HA 0.126 4.446 4.320 -0.000 0.000 0.233 284 A C 0.775 178.371 177.584 0.020 0.000 1.060 284 A CA 0.436 52.478 52.037 0.008 0.000 0.759 284 A CB 0.134 19.173 19.000 0.064 0.000 0.995 284 A HN 0.353 nan 8.150 nan 0.000 0.506 285 T N -1.425 113.153 114.554 0.041 0.000 2.927 285 T HA 0.479 4.829 4.350 -0.000 0.000 0.286 285 T C 0.910 175.596 174.700 -0.025 0.000 1.040 285 T CA -0.124 61.986 62.100 0.017 0.000 1.010 285 T CB 1.039 69.964 68.868 0.096 0.000 1.177 285 T HN 0.412 nan 8.240 nan 0.000 0.546 286 V N 0.860 120.732 119.914 -0.071 0.000 2.427 286 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 286 V C 2.577 178.695 176.094 0.041 0.000 1.051 286 V CA 1.694 63.959 62.300 -0.057 0.000 1.048 286 V CB -0.417 31.362 31.823 -0.074 0.000 0.666 286 V HN 0.758 nan 8.190 nan 0.000 0.456 287 V N 0.384 120.329 119.914 0.052 0.000 2.649 287 V HA 0.029 4.149 4.120 -0.000 0.000 0.248 287 V C 2.294 178.447 176.094 0.098 0.000 1.054 287 V CA 1.997 64.345 62.300 0.079 0.000 1.073 287 V CB -0.008 31.858 31.823 0.072 0.000 0.699 287 V HN 0.535 nan 8.190 nan 0.000 0.463 288 G N -0.628 108.235 108.800 0.105 0.000 2.408 288 G HA2 0.074 4.034 3.960 -0.000 0.000 0.215 288 G HA3 0.074 4.034 3.960 -0.000 0.000 0.215 288 G C 1.080 176.058 174.900 0.130 0.000 1.156 288 G CA 0.666 45.834 45.100 0.113 0.000 0.793 288 G HN 0.750 nan 8.290 nan 0.000 0.535 289 A N -0.096 122.812 122.820 0.146 0.000 2.965 289 A HA 0.567 4.887 4.320 -0.000 0.000 0.304 289 A C 1.346 179.107 177.584 0.294 0.000 1.214 289 A CA 0.613 52.780 52.037 0.217 0.000 0.977 289 A CB -0.699 18.433 19.000 0.220 0.000 1.127 289 A HN 1.515 nan 8.150 nan 0.000 0.572 290 G N -0.670 108.281 108.800 0.251 0.000 2.225 290 G HA2 0.227 4.187 3.960 -0.000 0.000 0.264 290 G HA3 0.227 4.187 3.960 -0.000 0.000 0.264 290 G C 1.332 176.506 174.900 0.457 0.000 1.060 290 G CA 0.501 45.823 45.100 0.370 0.000 0.833 290 G HN 2.530 nan 8.290 nan 0.000 0.498 291 G N -1.641 107.324 108.800 0.275 0.000 2.796 291 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.226 291 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.226 291 G C 0.722 175.698 174.900 0.127 0.000 1.381 291 G CA -0.209 45.033 45.100 0.237 0.000 0.867 291 G HN 1.025 nan 8.290 nan 0.000 0.552 292 L N 0.372 121.635 121.223 0.067 0.000 2.042 292 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 292 L C 3.281 180.114 176.870 -0.061 0.000 1.076 292 L CA 3.064 57.834 54.840 -0.116 0.000 0.749 292 L CB -2.241 39.536 42.059 -0.470 0.000 0.893 292 L HN 0.843 nan 8.230 nan 0.000 0.432 293 T N -1.666 112.952 114.554 0.107 0.000 2.635 293 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 293 T C 1.933 176.524 174.700 -0.182 0.000 1.040 293 T CA 2.078 64.186 62.100 0.014 0.000 1.156 293 T CB -0.308 68.529 68.868 -0.051 0.000 0.863 293 T HN 0.376 nan 8.240 nan 0.000 0.430 294 H N 0.035 118.958 119.070 -0.245 0.000 2.415 294 H HA 0.216 4.772 4.556 -0.000 0.000 0.297 294 H C 1.921 177.181 175.328 -0.114 0.000 1.048 294 H CA 0.609 56.515 56.048 -0.237 0.000 1.365 294 H CB -0.426 29.335 29.762 -0.000 0.000 1.421 294 H HN 0.128 nan 8.280 nan 0.000 0.533 295 L N 0.834 122.001 121.223 -0.093 0.000 2.083 295 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 295 L C 2.509 179.346 176.870 -0.055 0.000 1.083 295 L CA 1.656 56.388 54.840 -0.181 0.000 0.752 295 L CB -0.618 41.201 42.059 -0.401 0.000 0.899 295 L HN 0.204 nan 8.230 nan 0.000 0.433 296 R N -0.707 119.832 120.500 0.065 0.000 2.091 296 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 296 R C 2.410 178.759 176.300 0.081 0.000 1.136 296 R CA 1.649 57.909 56.100 0.266 0.000 0.959 296 R CB -0.164 30.223 30.300 0.145 0.000 0.856 296 R HN 0.350 nan 8.270 nan 0.000 0.437 297 R N 0.043 120.469 120.500 -0.124 0.000 2.081 297 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 297 R C 2.364 178.540 176.300 -0.208 0.000 1.131 297 R CA 1.634 57.612 56.100 -0.203 0.000 0.960 297 R CB -0.306 29.774 30.300 -0.367 0.000 0.856 297 R HN 0.316 nan 8.270 nan 0.000 0.436 298 I N 0.542 120.954 120.570 -0.263 0.000 2.226 298 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 298 I C 2.593 178.682 176.117 -0.046 0.000 1.100 298 I CA 1.223 62.410 61.300 -0.188 0.000 1.374 298 I CB -0.412 37.485 38.000 -0.172 0.000 1.057 298 I HN 0.191 nan 8.210 nan 0.000 0.413 299 A N 0.485 123.343 122.820 0.062 0.000 1.933 299 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 299 A C 1.922 179.531 177.584 0.040 0.000 1.175 299 A CA 1.965 54.074 52.037 0.119 0.000 0.628 299 A CB -0.539 18.645 19.000 0.307 0.000 0.814 299 A HN 0.328 nan 8.150 nan 0.000 0.444 300 D N -0.347 120.077 120.400 0.041 0.000 2.084 300 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 300 D C 1.869 178.168 176.300 -0.001 0.000 0.990 300 D CA 1.420 55.431 54.000 0.017 0.000 0.826 300 D CB -0.529 40.284 40.800 0.023 0.000 0.971 300 D HN 0.337 nan 8.370 nan 0.000 0.453 301 L N 0.947 122.159 121.223 -0.018 0.000 2.042 301 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 301 L C 2.094 179.006 176.870 0.070 0.000 1.076 301 L CA 1.991 56.838 54.840 0.011 0.000 0.749 301 L CB -0.876 41.153 42.059 -0.051 0.000 0.893 301 L HN -0.004 nan 8.230 nan 0.000 0.432 302 A N -1.520 121.314 122.820 0.023 0.000 1.908 302 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 302 A C 2.531 180.138 177.584 0.038 0.000 1.181 302 A CA 2.031 54.084 52.037 0.027 0.000 0.627 302 A CB -1.269 17.724 19.000 -0.011 0.000 0.818 302 A HN 0.549 nan 8.150 nan 0.000 0.445 303 S N -0.438 115.260 115.700 -0.002 0.000 2.387 303 S HA -0.144 4.326 4.470 -0.000 0.000 0.230 303 S C 1.877 176.447 174.600 -0.051 0.000 1.035 303 S CA 1.511 59.687 58.200 -0.040 0.000 1.014 303 S CB -0.539 62.625 63.200 -0.060 0.000 0.836 303 S HN 0.508 nan 8.310 nan 0.000 0.466 304 L N -0.718 120.479 121.223 -0.044 0.000 2.127 304 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 304 L C 1.211 177.865 176.870 -0.360 0.000 1.089 304 L CA 1.365 56.088 54.840 -0.195 0.000 0.757 304 L CB -0.449 41.469 42.059 -0.235 0.000 0.899 304 L HN 0.459 nan 8.230 nan 0.000 0.434 305 Y N -0.941 119.316 120.300 -0.072 0.000 2.607 305 Y HA 0.151 4.701 4.550 -0.000 0.000 0.266 305 Y C 0.723 176.566 175.900 -0.096 0.000 1.178 305 Y CA -0.455 57.599 58.100 -0.076 0.000 1.226 305 Y CB 0.124 38.540 38.460 -0.074 0.000 1.144 305 Y HN 0.136 nan 8.280 nan 0.000 0.528 306 Q N -0.768 119.023 119.800 -0.015 0.000 2.494 306 Q HA -0.175 4.165 4.340 -0.000 0.000 0.266 306 Q C -0.543 175.391 176.000 -0.111 0.000 1.053 306 Q CA 0.398 56.160 55.803 -0.068 0.000 1.029 306 Q CB -1.891 26.802 28.738 -0.075 0.000 1.423 306 Q HN 0.191 nan 8.270 nan 0.000 0.516 307 V N 0.787 120.649 119.914 -0.087 0.000 2.546 307 V HA 0.323 4.443 4.120 -0.000 0.000 0.284 307 V C 0.743 176.733 176.094 -0.172 0.000 1.050 307 V CA 0.004 62.205 62.300 -0.165 0.000 0.981 307 V CB 1.561 33.321 31.823 -0.105 0.000 0.990 307 V HN 0.182 nan 8.190 nan 0.000 0.474 308 R N 1.526 121.861 120.500 -0.275 0.000 2.758 308 R HA 0.583 4.923 4.340 -0.000 0.000 0.265 308 R C -0.048 176.267 176.300 0.026 0.000 1.016 308 R CA -0.621 55.392 56.100 -0.144 0.000 1.040 308 R CB 1.609 31.801 30.300 -0.181 0.000 1.152 308 R HN 0.836 nan 8.270 nan 0.000 0.503 309 T N -1.853 112.742 114.554 0.069 0.000 2.897 309 T HA 0.454 4.804 4.350 -0.000 0.000 0.294 309 T C 0.608 175.420 174.700 0.186 0.000 1.004 309 T CA -0.537 61.655 62.100 0.154 0.000 1.106 309 T CB 1.374 70.395 68.868 0.256 0.000 0.949 309 T HN 0.708 nan 8.240 nan 0.000 0.520 310 G N 1.555 110.506 108.800 0.252 0.000 4.632 310 G HA2 0.397 4.356 3.960 -0.000 0.000 0.244 310 G HA3 0.397 4.356 3.960 -0.000 0.000 0.244 310 G C 0.101 175.194 174.900 0.321 0.000 1.070 310 G CA -0.733 44.588 45.100 0.369 0.000 0.791 310 G HN 1.023 nan 8.290 nan 0.000 0.544 311 C N 1.505 120.954 119.300 0.248 0.000 2.465 311 C HA 0.069 4.529 4.460 -0.000 0.000 0.402 311 C C 1.269 176.397 174.990 0.230 0.000 1.448 311 C CA 0.026 59.164 59.018 0.201 0.000 1.589 311 C CB -1.044 26.795 27.740 0.166 0.000 2.535 311 C HN 0.757 nan 8.230 nan 0.000 0.600 312 H N 1.145 120.276 119.070 0.102 0.000 2.871 312 H HA 0.399 4.955 4.556 -0.000 0.000 0.355 312 H C 0.732 176.103 175.328 0.071 0.000 1.092 312 H CA 0.871 56.983 56.048 0.107 0.000 1.420 312 H CB 0.470 30.267 29.762 0.058 0.000 1.400 312 H HN 0.777 nan 8.280 nan 0.000 0.604 313 G N 3.016 111.546 108.800 -0.450 0.000 5.233 313 G HA2 0.488 4.448 3.960 -0.000 0.000 0.203 313 G HA3 0.488 4.448 3.960 -0.000 0.000 0.203 313 G C -0.217 174.439 174.900 -0.406 0.000 0.734 313 G CA 0.117 44.981 45.100 -0.393 0.000 0.662 313 G HN 0.861 nan 8.290 nan 0.000 0.468 314 A N 0.106 122.596 122.820 -0.550 0.000 2.310 314 A HA 0.595 4.915 4.320 -0.000 0.000 0.260 314 A C 1.975 179.472 177.584 -0.145 0.000 1.112 314 A CA 0.797 52.699 52.037 -0.224 0.000 0.804 314 A CB 0.152 19.179 19.000 0.046 0.000 1.081 314 A HN 0.911 nan 8.150 nan 0.000 0.499 315 T N -1.482 113.029 114.554 -0.072 0.000 3.007 315 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 315 T C 0.771 175.691 174.700 0.367 0.000 1.107 315 T CA 1.349 63.494 62.100 0.075 0.000 1.118 315 T CB -0.474 68.440 68.868 0.076 0.000 0.889 315 T HN 0.740 nan 8.240 nan 0.000 0.506 316 D N 0.637 121.175 120.400 0.230 0.000 2.371 316 D HA 0.017 4.657 4.640 -0.000 0.000 0.234 316 D C -0.063 176.441 176.300 0.340 0.000 1.049 316 D CA -0.069 54.081 54.000 0.250 0.000 0.907 316 D CB -0.156 40.744 40.800 0.167 0.000 0.891 316 D HN 0.330 nan 8.370 nan 0.000 0.531 317 L N 1.640 123.049 121.223 0.310 0.000 2.298 317 L HA 0.193 4.533 4.340 -0.000 0.000 0.284 317 L C 0.529 177.465 176.870 0.111 0.000 1.013 317 L CA -0.817 54.127 54.840 0.173 0.000 0.824 317 L CB 1.678 43.757 42.059 0.033 0.000 1.221 317 L HN -0.021 nan 8.230 nan 0.000 0.418 318 S N 3.703 119.282 115.700 -0.202 0.000 2.589 318 S HA 0.301 4.771 4.470 -0.000 0.000 0.265 318 S C -1.739 172.467 174.600 -0.657 0.000 1.342 318 S CA -0.727 56.900 58.200 -0.956 0.000 1.005 318 S CB 0.578 62.990 63.200 -1.313 0.000 0.909 318 S HN 0.516 nan 8.310 nan 0.000 0.555 319 P HA -0.091 nan 4.420 nan 0.000 0.218 319 P C 1.442 178.598 177.300 -0.240 0.000 1.146 319 P CA 0.713 63.591 63.100 -0.370 0.000 0.813 319 P CB -0.151 31.294 31.700 -0.425 0.000 0.778 320 V N -0.834 118.820 119.914 -0.434 0.000 2.295 320 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 320 V C 2.305 178.234 176.094 -0.274 0.000 1.049 320 V CA 2.509 64.613 62.300 -0.327 0.000 1.024 320 V CB -1.777 29.872 31.823 -0.289 0.000 0.648 320 V HN 0.186 nan 8.190 nan 0.000 0.447 321 T N -0.196 114.225 114.554 -0.221 0.000 2.708 321 T HA -0.234 4.116 4.350 -0.000 0.000 0.266 321 T C 1.905 176.529 174.700 -0.126 0.000 1.037 321 T CA 2.107 64.129 62.100 -0.130 0.000 1.146 321 T CB -0.324 68.493 68.868 -0.084 0.000 0.865 321 T HN 0.337 nan 8.240 nan 0.000 0.435 322 M N 1.616 121.120 119.600 -0.160 0.000 2.159 322 M HA 0.057 4.537 4.480 -0.000 0.000 0.263 322 M C 2.195 178.300 176.300 -0.325 0.000 1.063 322 M CA 1.589 56.730 55.300 -0.265 0.000 1.110 322 M CB -1.117 31.275 32.600 -0.347 0.000 1.374 322 M HN 0.226 nan 8.290 nan 0.000 0.411 323 G N -0.734 107.980 108.800 -0.143 0.000 2.480 323 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 323 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 323 G C 1.579 176.574 174.900 0.159 0.000 1.200 323 G CA 1.143 46.294 45.100 0.084 0.000 0.782 323 G HN 0.576 nan 8.290 nan 0.000 0.554 324 C N 1.007 120.348 119.300 0.068 0.000 2.413 324 C HA 0.129 4.588 4.460 -0.000 0.000 0.277 324 C C 3.550 178.631 174.990 0.152 0.000 1.265 324 C CA 0.857 59.965 59.018 0.150 0.000 1.752 324 C CB -1.027 26.744 27.740 0.050 0.000 1.998 324 C HN 0.577 nan 8.230 nan 0.000 0.489 325 A N 0.269 123.114 122.820 0.043 0.000 1.902 325 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 325 A C 2.107 179.753 177.584 0.103 0.000 1.181 325 A CA 1.422 53.500 52.037 0.068 0.000 0.623 325 A CB -0.553 18.438 19.000 -0.015 0.000 0.818 325 A HN 0.620 nan 8.150 nan 0.000 0.443 326 L N -1.523 119.665 121.223 -0.059 0.000 2.093 326 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 326 L C 2.645 179.444 176.870 -0.120 0.000 1.085 326 L CA 1.122 55.855 54.840 -0.178 0.000 0.755 326 L CB -0.784 41.060 42.059 -0.358 0.000 0.904 326 L HN 0.467 nan 8.230 nan 0.000 0.435 327 H N -0.903 118.222 119.070 0.091 0.000 2.353 327 H HA -0.212 4.344 4.556 -0.000 0.000 0.300 327 H C 2.133 177.586 175.328 0.207 0.000 1.090 327 H CA 2.040 58.197 56.048 0.182 0.000 1.327 327 H CB -0.286 29.605 29.762 0.215 0.000 1.383 327 H HN 0.272 nan 8.280 nan 0.000 0.508 328 F N 2.318 122.382 119.950 0.190 0.000 2.075 328 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 328 F C 1.961 177.868 175.800 0.177 0.000 1.113 328 F CA 1.532 59.666 58.000 0.223 0.000 1.218 328 F CB -0.164 38.930 39.000 0.156 0.000 0.984 328 F HN -0.015 nan 8.300 nan 0.000 0.472 329 D N -0.505 119.973 120.400 0.130 0.000 2.178 329 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 329 D C 2.250 178.290 176.300 -0.432 0.000 0.980 329 D CA 1.796 55.712 54.000 -0.140 0.000 0.842 329 D CB -0.630 40.070 40.800 -0.166 0.000 0.948 329 D HN 0.320 nan 8.370 nan 0.000 0.472 330 T N -0.422 113.946 114.554 -0.311 0.000 2.867 330 T HA -0.123 4.226 4.350 -0.000 0.000 0.268 330 T C 1.534 176.087 174.700 -0.245 0.000 1.057 330 T CA 0.930 62.803 62.100 -0.378 0.000 1.136 330 T CB -0.050 68.549 68.868 -0.448 0.000 0.874 330 T HN 0.387 nan 8.240 nan 0.000 0.466 331 W N 1.430 122.567 121.300 -0.272 0.000 2.644 331 W HA 0.396 5.056 4.660 -0.000 0.000 0.279 331 W C 0.407 176.767 176.519 -0.264 0.000 1.164 331 W CA -0.462 56.757 57.345 -0.210 0.000 1.457 331 W CB -0.403 28.981 29.460 -0.127 0.000 1.087 331 W HN -0.167 nan 8.180 nan 0.000 0.573 332 V N 5.119 124.331 119.914 -1.170 0.000 2.583 332 V HA -0.115 4.005 4.120 -0.000 0.000 0.302 332 V C -1.043 174.493 176.094 -0.930 0.000 1.033 332 V CA -0.135 61.174 62.300 -1.651 0.000 1.194 332 V CB 0.961 32.019 31.823 -1.274 0.000 0.879 332 V HN 0.019 nan 8.190 nan 0.000 0.482 333 P HA -0.126 nan 4.420 nan 0.000 0.213 333 P C 0.699 177.847 177.300 -0.253 0.000 1.170 333 P CA 1.297 64.127 63.100 -0.449 0.000 0.898 333 P CB -0.111 31.366 31.700 -0.372 0.000 0.787 334 N N 0.101 118.660 118.700 -0.234 0.000 2.652 334 N HA -0.051 4.689 4.740 -0.000 0.000 0.259 334 N C -0.371 175.107 175.510 -0.053 0.000 1.240 334 N CA -0.293 52.683 53.050 -0.123 0.000 0.951 334 N CB -1.253 37.164 38.487 -0.117 0.000 1.281 334 N HN 0.102 nan 8.380 nan 0.000 0.507 335 F N 0.784 120.634 119.950 -0.167 0.000 2.529 335 F HA 0.447 4.974 4.527 -0.000 0.000 0.365 335 F C 1.201 177.029 175.800 0.046 0.000 1.102 335 F CA -0.018 57.933 58.000 -0.080 0.000 1.271 335 F CB 0.979 39.894 39.000 -0.141 0.000 1.120 335 F HN 0.121 nan 8.300 nan 0.000 0.579 336 G N 5.563 113.872 108.800 -0.817 0.000 2.850 336 G HA2 0.285 4.244 3.960 -0.000 0.000 0.207 336 G HA3 0.285 4.244 3.960 -0.000 0.000 0.207 336 G C -0.393 174.030 174.900 -0.795 0.000 1.174 336 G CA 0.430 45.299 45.100 -0.385 0.000 0.844 336 G HN 0.705 nan 8.290 nan 0.000 0.635 337 I N -1.247 118.771 120.570 -0.920 0.000 2.961 337 I HA 0.448 4.618 4.170 -0.000 0.000 0.303 337 I C -2.287 173.797 176.117 -0.054 0.000 1.505 337 I CA -0.927 60.098 61.300 -0.458 0.000 0.964 337 I CB 2.347 40.224 38.000 -0.205 0.000 1.348 337 I HN 0.181 nan 8.210 nan 0.000 0.508 338 Q N 3.860 123.763 119.800 0.171 0.000 2.321 338 Q HA 0.372 4.712 4.340 -0.000 0.000 0.270 338 Q C -1.265 174.705 176.000 -0.049 0.000 1.032 338 Q CA -0.442 55.457 55.803 0.160 0.000 0.784 338 Q CB 1.744 30.590 28.738 0.181 0.000 1.264 338 Q HN 0.527 nan 8.270 nan 0.000 0.448 339 E N 3.046 123.168 120.200 -0.130 0.000 2.373 339 E HA 0.166 4.516 4.350 -0.000 0.000 0.267 339 E C -1.519 174.903 176.600 -0.298 0.000 1.032 339 E CA -0.293 55.751 56.400 -0.594 0.000 0.889 339 E CB 0.555 30.093 29.700 -0.270 0.000 0.984 339 E HN 0.630 nan 8.360 nan 0.000 0.425 340 Y N 5.115 125.101 120.300 -0.525 0.000 2.322 340 Y HA 0.356 4.906 4.550 -0.000 0.000 0.324 340 Y C -1.500 174.170 175.900 -0.382 0.000 1.027 340 Y CA -0.996 56.888 58.100 -0.360 0.000 1.179 340 Y CB 0.965 39.276 38.460 -0.249 0.000 1.136 340 Y HN 0.529 nan 8.280 nan 0.000 0.449 341 M N 6.765 125.919 119.600 -0.744 0.000 2.190 341 M HA 0.518 4.998 4.480 -0.000 0.000 0.312 341 M C -0.488 175.272 176.300 -0.900 0.000 0.990 341 M CA -0.785 54.019 55.300 -0.827 0.000 0.927 341 M CB 1.991 34.234 32.600 -0.596 0.000 1.571 341 M HN 0.591 nan 8.290 nan 0.000 0.427 342 R N 1.976 121.963 120.500 -0.855 0.000 2.590 342 R HA 0.215 4.555 4.340 -0.000 0.000 0.274 342 R C -0.180 175.943 176.300 -0.295 0.000 1.061 342 R CA -0.105 55.686 56.100 -0.515 0.000 1.081 342 R CB 0.403 30.517 30.300 -0.310 0.000 0.984 342 R HN 0.521 nan 8.270 nan 0.000 0.448 343 H N 0.330 119.402 119.070 0.004 0.000 2.499 343 H HA 0.122 4.678 4.556 -0.000 0.000 0.352 343 H C 0.566 175.938 175.328 0.074 0.000 1.237 343 H CA -0.225 55.862 56.048 0.065 0.000 1.343 343 H CB 1.176 30.994 29.762 0.094 0.000 1.578 343 H HN 0.632 nan 8.280 nan 0.000 0.577 344 T N -2.370 112.327 114.554 0.238 0.000 2.788 344 T HA 0.006 4.356 4.350 -0.000 0.000 0.287 344 T C 1.309 176.095 174.700 0.143 0.000 1.007 344 T CA -0.572 61.613 62.100 0.142 0.000 1.005 344 T CB 1.043 69.969 68.868 0.097 0.000 1.012 344 T HN 0.729 nan 8.240 nan 0.000 0.530 345 E N 0.107 120.369 120.200 0.104 0.000 2.106 345 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 345 E C 1.714 178.363 176.600 0.082 0.000 0.984 345 E CA 1.139 57.600 56.400 0.102 0.000 0.806 345 E CB -0.064 29.686 29.700 0.083 0.000 0.750 345 E HN 0.736 nan 8.360 nan 0.000 0.458 346 E N 0.075 120.297 120.200 0.036 0.000 2.051 346 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 346 E C 2.112 178.681 176.600 -0.051 0.000 0.991 346 E CA 1.850 58.218 56.400 -0.053 0.000 0.799 346 E CB -0.679 28.877 29.700 -0.241 0.000 0.748 346 E HN 0.191 nan 8.360 nan 0.000 0.449 347 T N 1.366 115.936 114.554 0.027 0.000 2.720 347 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 347 T C 1.147 175.953 174.700 0.177 0.000 1.037 347 T CA 1.559 63.738 62.100 0.132 0.000 1.144 347 T CB -0.383 68.596 68.868 0.184 0.000 0.864 347 T HN 0.118 nan 8.240 nan 0.000 0.444 348 D N 1.020 121.532 120.400 0.187 0.000 2.218 348 D HA 0.025 4.665 4.640 -0.000 0.000 0.204 348 D C 2.218 178.630 176.300 0.188 0.000 0.976 348 D CA 0.946 55.109 54.000 0.272 0.000 0.853 348 D CB -0.234 40.742 40.800 0.294 0.000 0.939 348 D HN 0.432 nan 8.370 nan 0.000 0.481 349 A N 0.377 123.263 122.820 0.111 0.000 1.898 349 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 349 A C 2.453 180.056 177.584 0.031 0.000 1.183 349 A CA 0.644 52.723 52.037 0.070 0.000 0.622 349 A CB -0.457 18.587 19.000 0.075 0.000 0.824 349 A HN 0.125 nan 8.150 nan 0.000 0.444 350 V N -1.519 118.379 119.914 -0.027 0.000 2.515 350 V HA -0.097 4.023 4.120 -0.000 0.000 0.250 350 V C 0.480 176.322 176.094 -0.421 0.000 1.058 350 V CA 1.097 63.253 62.300 -0.240 0.000 1.064 350 V CB -0.717 30.879 31.823 -0.378 0.000 0.675 350 V HN 0.489 nan 8.190 nan 0.000 0.461 351 F N 1.559 121.538 119.950 0.049 0.000 2.389 351 F HA 0.403 4.930 4.527 -0.000 0.000 0.327 351 F C -2.235 173.679 175.800 0.190 0.000 1.204 351 F CA -3.118 54.926 58.000 0.073 0.000 1.209 351 F CB 0.405 39.380 39.000 -0.042 0.000 1.460 351 F HN 0.036 nan 8.300 nan 0.000 0.537 352 P HA 0.008 nan 4.420 nan 0.000 0.264 352 P C -0.688 176.727 177.300 0.191 0.000 1.193 352 P CA 0.659 63.836 63.100 0.128 0.000 0.763 352 P CB 0.656 32.398 31.700 0.070 0.000 0.810 353 H N 0.492 119.570 119.070 0.014 0.000 2.928 353 H HA 0.397 4.953 4.556 -0.000 0.000 0.371 353 H C -1.244 174.070 175.328 -0.025 0.000 1.186 353 H CA -0.839 55.198 56.048 -0.019 0.000 1.134 353 H CB 1.337 30.948 29.762 -0.251 0.000 1.824 353 H HN 0.199 nan 8.280 nan 0.000 0.554 354 D N 1.443 121.973 120.400 0.217 0.000 2.970 354 D HA 0.167 4.807 4.640 -0.000 0.000 0.282 354 D C -1.205 175.352 176.300 0.429 0.000 1.291 354 D CA -0.257 53.906 54.000 0.271 0.000 0.967 354 D CB -0.827 40.151 40.800 0.298 0.000 1.017 354 D HN 0.443 nan 8.370 nan 0.000 0.512 355 Y N -0.867 119.699 120.300 0.443 0.000 2.552 355 Y HA 0.700 5.249 4.550 -0.000 0.000 0.337 355 Y C -1.674 174.498 175.900 0.453 0.000 1.094 355 Y CA -1.821 56.447 58.100 0.280 0.000 1.028 355 Y CB 0.337 38.849 38.460 0.086 0.000 1.321 355 Y HN 0.012 nan 8.280 nan 0.000 0.456 356 W N 2.691 124.241 121.300 0.417 0.000 3.075 356 W HA 0.787 5.447 4.660 -0.000 0.000 0.334 356 W C -2.534 174.204 176.519 0.366 0.000 1.243 356 W CA -1.915 55.631 57.345 0.334 0.000 1.170 356 W CB 1.078 30.640 29.460 0.171 0.000 1.452 356 W HN 0.672 nan 8.180 nan 0.000 0.572 357 F N 2.418 122.562 119.950 0.324 0.000 2.422 357 F HA 0.632 5.159 4.527 -0.000 0.000 0.333 357 F C -0.460 175.521 175.800 0.302 0.000 1.095 357 F CA -0.904 57.185 58.000 0.147 0.000 1.038 357 F CB 1.655 40.717 39.000 0.103 0.000 1.156 357 F HN 0.565 nan 8.300 nan 0.000 0.483 358 E N 4.665 124.489 120.200 -0.627 0.000 2.349 358 E HA 0.181 4.531 4.350 -0.000 0.000 0.290 358 E C -1.102 175.155 176.600 -0.572 0.000 0.901 358 E CA -0.706 55.475 56.400 -0.365 0.000 0.800 358 E CB 0.782 30.520 29.700 0.063 0.000 1.303 358 E HN 0.553 nan 8.360 nan 0.000 0.397 359 K N 2.417 122.505 120.400 -0.521 0.000 3.311 359 K HA -0.233 4.087 4.320 -0.000 0.000 0.270 359 K C 0.464 176.806 176.600 -0.430 0.000 0.927 359 K CA 1.276 57.365 56.287 -0.329 0.000 0.706 359 K CB -1.882 30.537 32.500 -0.134 0.000 1.418 359 K HN 1.101 nan 8.250 nan 0.000 0.459 360 G N -0.380 107.960 108.800 -0.766 0.000 2.143 360 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 360 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 360 G C -0.210 174.444 174.900 -0.410 0.000 0.991 360 G CA 0.678 45.438 45.100 -0.566 0.000 0.689 360 G HN 0.485 nan 8.290 nan 0.000 0.522 361 E N -1.039 118.790 120.200 -0.618 0.000 2.340 361 E HA 0.678 5.028 4.350 -0.000 0.000 0.273 361 E C -0.409 175.838 176.600 -0.588 0.000 0.891 361 E CA -0.908 55.176 56.400 -0.525 0.000 0.757 361 E CB 2.083 31.427 29.700 -0.592 0.000 1.231 361 E HN 0.152 nan 8.360 nan 0.000 0.439 362 L N 2.029 122.864 121.223 -0.647 0.000 2.334 362 L HA 0.601 4.941 4.340 -0.000 0.000 0.272 362 L C -1.091 175.184 176.870 -0.992 0.000 1.020 362 L CA -0.677 53.815 54.840 -0.580 0.000 0.812 362 L CB 0.827 42.588 42.059 -0.497 0.000 1.264 362 L HN 0.467 nan 8.230 nan 0.000 0.439 363 F N 1.124 120.628 119.950 -0.744 0.000 2.569 363 F HA 0.466 4.993 4.527 -0.000 0.000 0.312 363 F C -0.175 175.113 175.800 -0.853 0.000 1.109 363 F CA -0.717 56.724 58.000 -0.933 0.000 0.919 363 F CB 2.020 40.125 39.000 -1.492 0.000 1.211 363 F HN -0.006 nan 8.300 nan 0.000 0.446 364 V N 2.596 122.263 119.914 -0.411 0.000 2.612 364 V HA 0.817 4.937 4.120 -0.000 0.000 0.301 364 V C 0.292 176.374 176.094 -0.020 0.000 1.046 364 V CA -0.174 61.986 62.300 -0.234 0.000 0.946 364 V CB 1.573 33.142 31.823 -0.422 0.000 1.003 364 V HN 0.859 nan 8.190 nan 0.000 0.459 365 G N 3.189 112.130 108.800 0.235 0.000 2.563 365 G HA2 0.334 4.294 3.960 -0.000 0.000 0.283 365 G HA3 0.334 4.294 3.960 -0.000 0.000 0.283 365 G C 0.169 175.300 174.900 0.387 0.000 1.309 365 G CA -0.210 45.137 45.100 0.413 0.000 1.022 365 G HN 0.699 nan 8.290 nan 0.000 0.501 366 E N -0.311 120.085 120.200 0.327 0.000 2.476 366 E HA 0.077 4.427 4.350 -0.000 0.000 0.196 366 E C 0.603 177.311 176.600 0.180 0.000 1.029 366 E CA 0.050 56.606 56.400 0.259 0.000 0.896 366 E CB 0.089 29.910 29.700 0.201 0.000 1.012 366 E HN 0.272 nan 8.360 nan 0.000 0.475 367 T N 3.821 118.496 114.554 0.202 0.000 2.867 367 T HA 0.112 4.462 4.350 -0.000 0.000 0.297 367 T C -2.359 172.398 174.700 0.095 0.000 0.989 367 T CA -0.903 61.280 62.100 0.138 0.000 1.159 367 T CB 0.633 69.596 68.868 0.159 0.000 0.928 367 T HN -0.068 nan 8.240 nan 0.000 0.538 368 P HA 0.297 nan 4.420 nan 0.000 0.267 368 P C 0.767 178.028 177.300 -0.065 0.000 1.201 368 P CA 0.883 63.963 63.100 -0.033 0.000 0.775 368 P CB 0.250 31.923 31.700 -0.045 0.000 0.854 369 G N 2.173 110.900 108.800 -0.123 0.000 2.615 369 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 369 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 369 G C 0.263 175.029 174.900 -0.223 0.000 1.339 369 G CA 0.260 45.239 45.100 -0.202 0.000 0.884 369 G HN 0.743 nan 8.290 nan 0.000 0.559 370 H N -0.159 118.866 119.070 -0.075 0.000 2.539 370 H HA 0.456 5.012 4.556 -0.000 0.000 0.267 370 H C 2.011 177.505 175.328 0.277 0.000 0.982 370 H CA 0.852 56.835 56.048 -0.109 0.000 1.146 370 H CB -0.185 29.620 29.762 0.072 0.000 1.382 370 H HN 2.369 nan 8.280 nan 0.000 0.577 371 G N -0.285 108.755 108.800 0.399 0.000 2.179 371 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 371 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 371 G C -0.118 175.051 174.900 0.449 0.000 0.977 371 G CA 0.353 45.708 45.100 0.425 0.000 0.641 371 G HN 0.462 nan 8.290 nan 0.000 0.533 372 V N 0.011 120.293 119.914 0.614 0.000 2.815 372 V HA 0.868 4.988 4.120 -0.000 0.000 0.314 372 V C -0.148 176.229 176.094 0.471 0.000 1.064 372 V CA -0.673 61.922 62.300 0.493 0.000 0.952 372 V CB 2.058 34.100 31.823 0.365 0.000 1.020 372 V HN 0.273 nan 8.190 nan 0.000 0.439 373 D N 0.785 121.418 120.400 0.389 0.000 2.610 373 D HA 0.560 5.199 4.640 -0.000 0.000 0.271 373 D C -1.528 174.971 176.300 0.331 0.000 1.174 373 D CA -0.443 53.772 54.000 0.357 0.000 0.949 373 D CB 2.765 43.730 40.800 0.275 0.000 1.430 373 D HN 0.540 nan 8.370 nan 0.000 0.467 374 I N 0.968 121.676 120.570 0.230 0.000 2.498 374 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 374 I C -1.179 174.921 176.117 -0.028 0.000 1.032 374 I CA -0.602 60.722 61.300 0.041 0.000 1.073 374 I CB 1.682 39.712 38.000 0.051 0.000 1.251 374 I HN 0.126 nan 8.210 nan 0.000 0.426 375 D N 7.226 127.563 120.400 -0.105 0.000 2.468 375 D HA 0.099 4.739 4.640 -0.000 0.000 0.218 375 D C 0.871 177.123 176.300 -0.079 0.000 1.155 375 D CA 0.083 54.047 54.000 -0.060 0.000 0.924 375 D CB 0.916 41.691 40.800 -0.042 0.000 1.029 375 D HN 0.608 nan 8.370 nan 0.000 0.515 376 E N 2.134 122.298 120.200 -0.060 0.000 2.118 376 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 376 E C 1.406 177.987 176.600 -0.031 0.000 0.992 376 E CA 0.871 57.241 56.400 -0.050 0.000 0.804 376 E CB 0.280 29.951 29.700 -0.049 0.000 0.741 376 E HN 0.633 nan 8.360 nan 0.000 0.458 377 E N 0.664 120.848 120.200 -0.026 0.000 2.051 377 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 377 E C 2.153 178.742 176.600 -0.018 0.000 0.991 377 E CA 0.690 57.077 56.400 -0.021 0.000 0.799 377 E CB 0.036 29.726 29.700 -0.017 0.000 0.748 377 E HN 0.095 nan 8.360 nan 0.000 0.449 378 L N 0.770 121.990 121.223 -0.004 0.000 2.093 378 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 378 L C 2.227 179.147 176.870 0.083 0.000 1.085 378 L CA 2.022 56.881 54.840 0.031 0.000 0.755 378 L CB -0.753 41.343 42.059 0.063 0.000 0.904 378 L HN 0.163 nan 8.230 nan 0.000 0.435 379 A N -0.215 122.632 122.820 0.044 0.000 1.908 379 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 379 A C 2.409 180.057 177.584 0.106 0.000 1.181 379 A CA 1.785 53.870 52.037 0.080 0.000 0.627 379 A CB -1.201 17.773 19.000 -0.043 0.000 0.818 379 A HN 0.560 nan 8.150 nan 0.000 0.445 380 A N -0.537 122.301 122.820 0.030 0.000 2.178 380 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 380 A C 1.886 179.446 177.584 -0.039 0.000 1.157 380 A CA 1.614 53.657 52.037 0.009 0.000 0.689 380 A CB -0.390 18.604 19.000 -0.011 0.000 0.787 380 A HN 0.581 nan 8.150 nan 0.000 0.465 381 K N -1.523 118.802 120.400 -0.126 0.000 2.444 381 K HA 0.069 4.389 4.320 -0.000 0.000 0.193 381 K C -0.965 175.322 176.600 -0.521 0.000 1.024 381 K CA 0.299 56.380 56.287 -0.345 0.000 1.077 381 K CB 0.113 32.317 32.500 -0.493 0.000 0.833 381 K HN 0.585 nan 8.250 nan 0.000 0.517 382 Y N 1.525 121.840 120.300 0.026 0.000 2.749 382 Y HA 0.223 4.773 4.550 -0.000 0.000 0.343 382 Y C -2.394 173.536 175.900 0.050 0.000 1.015 382 Y CA -3.287 54.835 58.100 0.036 0.000 1.270 382 Y CB 0.635 39.124 38.460 0.049 0.000 1.097 382 Y HN -0.040 nan 8.280 nan 0.000 0.571 383 P HA -0.081 nan 4.420 nan 0.000 0.271 383 P C -0.301 177.085 177.300 0.145 0.000 1.218 383 P CA -0.101 63.076 63.100 0.128 0.000 0.780 383 P CB 1.131 32.878 31.700 0.078 0.000 0.901 384 Y N 2.710 123.038 120.300 0.047 0.000 2.805 384 Y HA 0.013 4.563 4.550 -0.000 0.000 0.337 384 Y C 0.531 176.435 175.900 0.006 0.000 1.252 384 Y CA 0.724 58.838 58.100 0.023 0.000 1.515 384 Y CB 0.364 38.833 38.460 0.014 0.000 1.305 384 Y HN 0.337 nan 8.280 nan 0.000 0.600 385 K N 8.910 128.820 120.400 -0.817 0.000 2.668 385 K HA 0.337 4.657 4.320 -0.000 0.000 0.246 385 K C -2.968 173.112 176.600 -0.867 0.000 0.976 385 K CA -2.185 53.725 56.287 -0.628 0.000 0.902 385 K CB 1.277 33.608 32.500 -0.281 0.000 1.172 385 K HN 0.417 nan 8.250 nan 0.000 0.452 386 P HA 0.001 nan 4.420 nan 0.000 0.263 386 P C -1.179 175.900 177.300 -0.367 0.000 1.175 386 P CA 0.065 62.849 63.100 -0.526 0.000 0.761 386 P CB 1.008 32.573 31.700 -0.226 0.000 0.794 387 A N 3.449 126.034 122.820 -0.392 0.000 2.488 387 A HA 0.620 4.940 4.320 -0.000 0.000 0.295 387 A C -1.667 175.737 177.584 -0.299 0.000 1.045 387 A CA -0.573 51.315 52.037 -0.249 0.000 0.703 387 A CB 0.987 19.876 19.000 -0.185 0.000 1.271 387 A HN 0.397 nan 8.150 nan 0.000 0.400 388 Y N 1.035 121.286 120.300 -0.080 0.000 2.528 388 Y HA 0.636 5.186 4.550 -0.000 0.000 0.335 388 Y C 0.489 176.296 175.900 -0.155 0.000 1.093 388 Y CA -0.664 57.382 58.100 -0.090 0.000 1.134 388 Y CB 1.532 39.941 38.460 -0.085 0.000 1.253 388 Y HN 0.622 nan 8.280 nan 0.000 0.478 389 L N 3.522 124.741 121.223 -0.007 0.000 2.439 389 L HA 0.358 4.698 4.340 -0.000 0.000 0.261 389 L C -2.159 174.447 176.870 -0.440 0.000 1.153 389 L CA -1.779 52.894 54.840 -0.278 0.000 0.808 389 L CB 0.673 42.593 42.059 -0.231 0.000 1.126 389 L HN 0.373 nan 8.230 nan 0.000 0.460 390 P HA 0.150 nan 4.420 nan 0.000 0.274 390 P C -1.253 175.646 177.300 -0.668 0.000 1.256 390 P CA -0.296 62.305 63.100 -0.832 0.000 0.795 390 P CB 0.870 31.896 31.700 -1.123 0.000 1.038 391 V N -2.853 116.892 119.914 -0.282 0.000 3.001 391 V HA 0.952 5.072 4.120 -0.000 0.000 0.314 391 V C -0.856 175.313 176.094 0.126 0.000 1.099 391 V CA -1.368 60.920 62.300 -0.019 0.000 0.989 391 V CB 1.578 33.393 31.823 -0.012 0.000 1.040 391 V HN 0.633 nan 8.190 nan 0.000 0.434 392 A N 3.013 125.986 122.820 0.255 0.000 2.374 392 A HA 0.970 5.290 4.320 -0.000 0.000 0.317 392 A C -0.351 177.404 177.584 0.285 0.000 1.094 392 A CA -0.968 51.254 52.037 0.309 0.000 0.765 392 A CB 1.710 20.949 19.000 0.400 0.000 1.268 392 A HN 0.938 nan 8.150 nan 0.000 0.438 393 R N 1.099 121.747 120.500 0.248 0.000 2.673 393 R HA 0.555 4.895 4.340 -0.000 0.000 0.281 393 R C -0.845 175.550 176.300 0.157 0.000 0.991 393 R CA -0.741 55.479 56.100 0.200 0.000 0.896 393 R CB 1.849 32.223 30.300 0.123 0.000 1.201 393 R HN 0.707 nan 8.270 nan 0.000 0.457 394 L N 1.624 122.892 121.223 0.075 0.000 2.475 394 L HA 0.117 4.457 4.340 -0.000 0.000 0.250 394 L C 1.588 178.445 176.870 -0.023 0.000 1.224 394 L CA 0.005 54.821 54.840 -0.040 0.000 0.821 394 L CB 0.401 42.347 42.059 -0.188 0.000 1.141 394 L HN 0.674 nan 8.230 nan 0.000 0.494 395 E N 0.498 120.660 120.200 -0.064 0.000 2.204 395 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 395 E C 0.834 177.412 176.600 -0.036 0.000 0.990 395 E CA 1.281 57.651 56.400 -0.050 0.000 0.821 395 E CB -0.085 29.569 29.700 -0.077 0.000 0.750 395 E HN 0.679 nan 8.360 nan 0.000 0.477 396 D N -0.826 119.549 120.400 -0.042 0.000 2.340 396 D HA 0.023 4.663 4.640 -0.000 0.000 0.220 396 D C 1.293 177.590 176.300 -0.006 0.000 1.039 396 D CA 0.737 54.721 54.000 -0.026 0.000 0.866 396 D CB 0.411 41.191 40.800 -0.033 0.000 0.913 396 D HN 0.202 nan 8.370 nan 0.000 0.523 397 G N -0.503 108.301 108.800 0.005 0.000 2.195 397 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.224 397 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.224 397 G C 0.398 175.327 174.900 0.049 0.000 0.990 397 G CA 0.106 45.222 45.100 0.026 0.000 0.639 397 G HN 0.419 nan 8.290 nan 0.000 0.514 398 T N 2.224 116.805 114.554 0.046 0.000 2.902 398 T HA 0.381 4.731 4.350 -0.000 0.000 0.301 398 T C 0.707 175.508 174.700 0.169 0.000 1.012 398 T CA 0.493 62.647 62.100 0.090 0.000 1.151 398 T CB 0.907 69.815 68.868 0.066 0.000 0.946 398 T HN 0.400 nan 8.240 nan 0.000 0.542 399 M N 4.788 124.498 119.600 0.182 0.000 2.269 399 M HA 0.228 4.708 4.480 -0.000 0.000 0.350 399 M C -0.560 175.967 176.300 0.377 0.000 1.429 399 M CA 0.171 55.597 55.300 0.210 0.000 1.063 399 M CB -0.106 32.574 32.600 0.133 0.000 1.841 399 M HN 0.710 nan 8.290 nan 0.000 0.455 400 W N 3.856 125.191 121.300 0.059 0.000 3.349 400 W HA 0.416 5.076 4.660 -0.000 0.000 0.325 400 W C -0.766 175.780 176.519 0.044 0.000 1.198 400 W CA -0.916 56.459 57.345 0.050 0.000 0.985 400 W CB 1.510 31.009 29.460 0.065 0.000 1.556 400 W HN 0.391 nan 8.180 nan 0.000 0.610 401 N N 1.969 120.410 118.700 -0.432 0.000 2.422 401 N HA 0.089 4.829 4.740 -0.000 0.000 0.266 401 N C -0.629 174.866 175.510 -0.026 0.000 1.007 401 N CA -0.250 52.624 53.050 -0.293 0.000 0.941 401 N CB 1.239 39.414 38.487 -0.519 0.000 1.115 401 N HN 0.347 nan 8.380 nan 0.000 0.492 402 W N 0.000 121.288 121.300 -0.020 0.000 2.388 402 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 402 W CA 0.000 57.388 57.345 0.072 0.000 1.226 402 W CB 0.000 29.503 29.460 0.072 0.000 1.126 402 W HN 0.000 nan 8.180 nan 0.000 0.535