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 1z90_1_B DATA FIRST_RESID 8 DATA SEQUENCE LPQLKSAVDG LTEMSESEKS GFISLVSRYL XXXXXXIEWS KIQTPTDEIV DATA SEQUENCE VPYEKMTPVS QDVAETKNLL DKLVVLKLNG GLGTTMGCTG PKSVIEVRDG DATA SEQUENCE LTFLDLIVIQ IENLNNKYGC KVPLVLMNSF NTHDDTHKIV EKYTNSNVDI DATA SEQUENCE HTFNQSKYPR VVADEFVPWP SKGKTDKEGW YPPGHGDVFP ALMNSGKLDT DATA SEQUENCE FLSQGKEYVF VANSDNLGAI VDLTILKHLI QNKNEYCMEV TPKTLADVKG DATA SEQUENCE GTLISYEGKV QLLEIAQVPD EHVNEFKSIE KFKIFNTNNL WVNLKAIKKL DATA SEQUENCE VEADALKMEI IPNPKEVDGV KVLQLETAAG AAIRFFDNAI GVNVPRSRFL DATA SEQUENCE PVKASSDLLL VQSDLYTLVD GFVTRNKART NPSNPSIELG PEFKKVATFL DATA SEQUENCE SRFKSIPSIV ELDSLKVSGD VWFGSSIVLK GKVTVAAKSG VKLEIPDRAV DATA SEQUENCE VENKNINGPE D 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.895 176.870 0.041 0.000 1.165 8 L CA 0.000 54.852 54.840 0.020 0.000 0.813 8 L CB 0.000 42.076 42.059 0.029 0.000 0.961 9 P HA -0.197 nan 4.420 nan 0.000 0.218 9 P C 1.085 178.412 177.300 0.045 0.000 1.150 9 P CA 1.344 64.463 63.100 0.032 0.000 0.841 9 P CB 0.536 32.249 31.700 0.021 0.000 0.784 10 Q N -1.670 118.163 119.800 0.054 0.000 2.269 10 Q HA 0.066 4.406 4.340 -0.001 0.000 0.201 10 Q C 2.026 178.081 176.000 0.091 0.000 0.946 10 Q CA 0.618 56.459 55.803 0.064 0.000 0.877 10 Q CB -0.981 27.793 28.738 0.059 0.000 0.963 10 Q HN 0.254 nan 8.270 nan 0.000 0.472 11 L N 0.155 121.451 121.223 0.121 0.000 2.056 11 L HA -0.178 4.161 4.340 -0.001 0.000 0.207 11 L C 2.171 179.118 176.870 0.129 0.000 1.078 11 L CA 1.383 56.319 54.840 0.159 0.000 0.749 11 L CB -0.162 42.033 42.059 0.226 0.000 0.901 11 L HN 0.214 nan 8.230 nan 0.000 0.433 12 K N -0.821 119.637 120.400 0.097 0.000 2.097 12 K HA -0.214 4.105 4.320 -0.001 0.000 0.206 12 K C 2.269 178.913 176.600 0.073 0.000 1.049 12 K CA 1.617 57.952 56.287 0.080 0.000 0.933 12 K CB -0.030 32.502 32.500 0.054 0.000 0.717 12 K HN 0.221 nan 8.250 nan 0.000 0.442 13 S N -0.084 115.654 115.700 0.064 0.000 2.383 13 S HA -0.102 4.368 4.470 -0.001 0.000 0.227 13 S C 1.941 176.575 174.600 0.057 0.000 1.026 13 S CA 1.148 59.379 58.200 0.053 0.000 0.981 13 S CB -0.206 63.021 63.200 0.044 0.000 0.818 13 S HN 0.435 nan 8.310 nan 0.000 0.472 14 A N 0.983 123.843 122.820 0.068 0.000 1.855 14 A HA 0.025 4.344 4.320 -0.001 0.000 0.215 14 A C 2.368 179.993 177.584 0.068 0.000 1.191 14 A CA 1.784 53.858 52.037 0.063 0.000 0.613 14 A CB -1.170 17.872 19.000 0.070 0.000 0.829 14 A HN 0.455 nan 8.150 nan 0.000 0.442 15 V N 0.890 120.863 119.914 0.098 0.000 2.287 15 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 15 V C 2.106 178.250 176.094 0.084 0.000 1.053 15 V CA 2.302 64.669 62.300 0.111 0.000 1.027 15 V CB -0.923 31.015 31.823 0.193 0.000 0.646 15 V HN 0.499 nan 8.190 nan 0.000 0.447 16 D N 0.710 121.153 120.400 0.072 0.000 2.228 16 D HA -0.142 4.498 4.640 -0.001 0.000 0.203 16 D C 2.095 178.422 176.300 0.046 0.000 0.988 16 D CA 1.601 55.633 54.000 0.053 0.000 0.864 16 D CB -0.400 40.426 40.800 0.044 0.000 0.928 16 D HN 0.536 nan 8.370 nan 0.000 0.469 17 G N -0.138 108.691 108.800 0.048 0.000 2.572 17 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.216 17 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.216 17 G C 0.752 175.682 174.900 0.049 0.000 1.133 17 G CA -0.221 44.903 45.100 0.041 0.000 0.791 17 G HN 0.227 nan 8.290 nan 0.000 0.538 18 L N 2.557 123.820 121.223 0.068 0.000 2.385 18 L HA 0.143 4.482 4.340 -0.001 0.000 0.285 18 L C 2.180 179.096 176.870 0.076 0.000 1.125 18 L CA -0.073 54.831 54.840 0.106 0.000 0.890 18 L CB 0.768 42.934 42.059 0.178 0.000 1.251 18 L HN 0.200 nan 8.230 nan 0.000 0.445 19 T N -1.896 112.689 114.554 0.051 0.000 2.929 19 T HA -0.140 4.210 4.350 -0.001 0.000 0.271 19 T C 1.410 176.097 174.700 -0.022 0.000 1.085 19 T CA 0.840 62.949 62.100 0.014 0.000 1.125 19 T CB 0.051 68.923 68.868 0.007 0.000 0.874 19 T HN 0.436 nan 8.240 nan 0.000 0.494 20 E N 0.879 121.060 120.200 -0.031 0.000 2.268 20 E HA 0.125 4.475 4.350 -0.001 0.000 0.195 20 E C 0.732 177.189 176.600 -0.239 0.000 0.995 20 E CA 0.487 56.783 56.400 -0.174 0.000 0.836 20 E CB -0.271 29.246 29.700 -0.305 0.000 0.763 20 E HN 0.685 nan 8.360 nan 0.000 0.491 21 M N 0.977 120.499 119.600 -0.130 0.000 2.188 21 M HA 0.108 4.587 4.480 -0.001 0.000 0.357 21 M C 0.615 176.887 176.300 -0.046 0.000 1.204 21 M CA -0.412 54.829 55.300 -0.098 0.000 1.095 21 M CB 1.438 34.033 32.600 -0.007 0.000 1.604 21 M HN -0.174 nan 8.290 nan 0.000 0.464 22 S N 1.754 117.430 115.700 -0.040 0.000 2.580 22 S HA 0.064 4.533 4.470 -0.001 0.000 0.266 22 S C 0.948 175.557 174.600 0.015 0.000 1.354 22 S CA -0.444 57.749 58.200 -0.012 0.000 1.008 22 S CB 0.813 64.008 63.200 -0.008 0.000 0.898 22 S HN 0.688 nan 8.310 nan 0.000 0.555 23 E N 1.706 121.915 120.200 0.016 0.000 2.118 23 E HA -0.100 4.250 4.350 -0.001 0.000 0.195 23 E C 2.288 178.913 176.600 0.041 0.000 0.992 23 E CA 1.467 57.883 56.400 0.027 0.000 0.804 23 E CB -0.909 28.802 29.700 0.019 0.000 0.741 23 E HN 0.702 nan 8.360 nan 0.000 0.458 24 S N 0.884 116.609 115.700 0.043 0.000 2.359 24 S HA -0.179 4.291 4.470 -0.001 0.000 0.224 24 S C 1.873 176.538 174.600 0.108 0.000 1.035 24 S CA 1.348 59.586 58.200 0.063 0.000 1.018 24 S CB -0.128 63.103 63.200 0.053 0.000 0.876 24 S HN 0.338 nan 8.310 nan 0.000 0.448 25 E N 0.730 121.003 120.200 0.121 0.000 2.072 25 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 25 E C 2.172 178.859 176.600 0.146 0.000 0.985 25 E CA 0.819 57.352 56.400 0.222 0.000 0.801 25 E CB -0.046 29.768 29.700 0.190 0.000 0.750 25 E HN 0.410 nan 8.360 nan 0.000 0.452 26 K N 0.570 121.021 120.400 0.086 0.000 2.032 26 K HA -0.142 4.177 4.320 -0.001 0.000 0.209 26 K C 2.388 179.030 176.600 0.070 0.000 1.048 26 K CA 1.671 58.004 56.287 0.077 0.000 0.927 26 K CB -0.145 32.394 32.500 0.065 0.000 0.712 26 K HN -0.006 nan 8.250 nan 0.000 0.441 27 S N 0.578 116.315 115.700 0.063 0.000 2.356 27 S HA -0.122 4.347 4.470 -0.001 0.000 0.223 27 S C 2.217 176.846 174.600 0.049 0.000 1.032 27 S CA 1.307 59.536 58.200 0.048 0.000 1.005 27 S CB -0.773 62.456 63.200 0.048 0.000 0.867 27 S HN 0.556 nan 8.310 nan 0.000 0.449 28 G N 1.232 110.090 108.800 0.097 0.000 2.446 28 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 28 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 28 G C 1.253 176.167 174.900 0.023 0.000 1.168 28 G CA 0.952 46.147 45.100 0.158 0.000 0.771 28 G HN 0.464 nan 8.290 nan 0.000 0.551 29 F N 1.244 120.915 119.950 -0.464 0.000 2.102 29 F HA -0.008 4.519 4.527 -0.001 0.000 0.298 29 F C 2.439 178.083 175.800 -0.259 0.000 1.105 29 F CA 0.754 58.286 58.000 -0.780 0.000 1.239 29 F CB -0.115 38.270 39.000 -1.026 0.000 0.991 29 F HN 0.005 nan 8.300 nan 0.000 0.474 30 I N -0.335 120.113 120.570 -0.203 0.000 2.226 30 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 30 I C 2.752 178.782 176.117 -0.146 0.000 1.100 30 I CA 1.604 62.792 61.300 -0.186 0.000 1.374 30 I CB -1.740 36.240 38.000 -0.032 0.000 1.057 30 I HN 0.230 nan 8.210 nan 0.000 0.413 31 S N 0.685 116.339 115.700 -0.076 0.000 2.365 31 S HA -0.215 4.255 4.470 -0.001 0.000 0.225 31 S C 2.037 176.615 174.600 -0.036 0.000 1.039 31 S CA 1.521 59.702 58.200 -0.032 0.000 1.033 31 S CB -0.304 62.900 63.200 0.007 0.000 0.887 31 S HN 0.291 nan 8.310 nan 0.000 0.447 32 L N 1.296 122.481 121.223 -0.064 0.000 2.027 32 L HA 0.002 4.341 4.340 -0.001 0.000 0.206 32 L C 2.361 179.191 176.870 -0.068 0.000 1.074 32 L CA 1.529 56.352 54.840 -0.027 0.000 0.745 32 L CB -0.778 41.296 42.059 0.025 0.000 0.898 32 L HN 0.207 nan 8.230 nan 0.000 0.433 33 V N -1.496 118.264 119.914 -0.257 0.000 2.295 33 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 33 V C 2.560 178.672 176.094 0.029 0.000 1.049 33 V CA 1.774 63.988 62.300 -0.143 0.000 1.024 33 V CB -0.880 30.755 31.823 -0.312 0.000 0.648 33 V HN 0.439 nan 8.190 nan 0.000 0.447 34 S N -0.478 115.207 115.700 -0.024 0.000 2.378 34 S HA -0.283 4.186 4.470 -0.001 0.000 0.229 34 S C 2.202 176.821 174.600 0.030 0.000 1.052 34 S CA 1.721 59.923 58.200 0.004 0.000 1.084 34 S CB -0.394 62.800 63.200 -0.009 0.000 0.950 34 S HN 0.413 nan 8.310 nan 0.000 0.440 35 R N -0.127 120.401 120.500 0.047 0.000 2.073 35 R HA -0.051 4.289 4.340 -0.001 0.000 0.234 35 R C 2.026 178.388 176.300 0.104 0.000 1.134 35 R CA 1.373 57.514 56.100 0.070 0.000 0.952 35 R CB -1.110 29.240 30.300 0.084 0.000 0.850 35 R HN 0.569 nan 8.270 nan 0.000 0.433 36 Y N 0.707 121.013 120.300 0.009 0.000 2.403 36 Y HA -0.069 4.481 4.550 -0.001 0.000 0.291 36 Y C 0.565 176.462 175.900 -0.004 0.000 1.143 36 Y CA 0.911 59.026 58.100 0.024 0.000 1.257 36 Y CB 0.149 38.646 38.460 0.062 0.000 0.984 36 Y HN -0.103 nan 8.280 nan 0.000 0.550 45 E N 6.139 126.489 120.200 0.251 0.000 2.003 45 E HA -0.005 4.344 4.350 -0.001 0.000 0.279 45 E C 0.327 177.119 176.600 0.320 0.000 1.132 45 E CA -0.078 56.499 56.400 0.295 0.000 0.888 45 E CB 0.545 30.404 29.700 0.265 0.000 1.056 45 E HN 0.656 nan 8.360 nan 0.000 0.399 46 W N 3.422 124.773 121.300 0.086 0.000 2.305 46 W HA -0.302 4.357 4.660 -0.001 0.000 0.308 46 W C 1.665 178.197 176.519 0.021 0.000 1.226 46 W CA 2.177 59.512 57.345 -0.017 0.000 1.253 46 W CB 0.117 29.385 29.460 -0.320 0.000 1.146 46 W HN 0.436 nan 8.180 nan 0.000 0.507 47 S N 0.181 115.983 115.700 0.170 0.000 2.419 47 S HA -0.217 4.253 4.470 -0.001 0.000 0.235 47 S C 1.450 176.037 174.600 -0.022 0.000 1.019 47 S CA 1.490 59.736 58.200 0.076 0.000 0.982 47 S CB -0.500 62.758 63.200 0.095 0.000 0.789 47 S HN 0.293 nan 8.310 nan 0.000 0.490 48 K N 0.400 120.794 120.400 -0.010 0.000 2.393 48 K HA 0.348 4.667 4.320 -0.001 0.000 0.193 48 K C -0.065 176.479 176.600 -0.094 0.000 1.026 48 K CA -0.116 56.102 56.287 -0.116 0.000 1.064 48 K CB 0.053 32.386 32.500 -0.279 0.000 0.833 48 K HN 0.414 nan 8.250 nan 0.000 0.521 49 I N 2.568 123.114 120.570 -0.040 0.000 2.598 49 I HA -0.061 4.109 4.170 -0.001 0.000 0.284 49 I C 0.035 176.086 176.117 -0.111 0.000 1.140 49 I CA 0.395 61.663 61.300 -0.052 0.000 1.420 49 I CB 0.531 38.345 38.000 -0.309 0.000 1.387 49 I HN 0.094 nan 8.210 nan 0.000 0.553 50 Q N 4.259 124.032 119.800 -0.046 0.000 2.309 50 Q HA 0.363 4.702 4.340 -0.001 0.000 0.264 50 Q C -0.458 175.513 176.000 -0.048 0.000 1.008 50 Q CA -0.798 54.965 55.803 -0.068 0.000 0.853 50 Q CB 2.169 30.874 28.738 -0.055 0.000 1.314 50 Q HN 0.525 nan 8.270 nan 0.000 0.448 51 T N 3.785 118.281 114.554 -0.096 0.000 2.916 51 T HA 0.165 4.514 4.350 -0.001 0.000 0.303 51 T C -2.173 172.498 174.700 -0.049 0.000 1.025 51 T CA -0.775 61.267 62.100 -0.098 0.000 1.142 51 T CB 0.176 68.945 68.868 -0.165 0.000 0.947 51 T HN 0.307 nan 8.240 nan 0.000 0.544 52 P HA 0.262 nan 4.420 nan 0.000 0.274 52 P C 0.046 177.330 177.300 -0.026 0.000 1.231 52 P CA -0.577 62.514 63.100 -0.014 0.000 0.790 52 P CB 0.424 32.126 31.700 0.003 0.000 0.951 53 T N -2.401 112.140 114.554 -0.022 0.000 2.862 53 T HA 0.210 4.559 4.350 -0.001 0.000 0.276 53 T C 0.760 175.448 174.700 -0.020 0.000 0.974 53 T CA -0.461 61.625 62.100 -0.024 0.000 0.966 53 T CB 0.362 69.217 68.868 -0.021 0.000 1.072 53 T HN 0.136 nan 8.240 nan 0.000 0.538 54 D N 0.179 120.565 120.400 -0.022 0.000 2.311 54 D HA -0.063 4.577 4.640 -0.001 0.000 0.212 54 D C 1.851 178.140 176.300 -0.018 0.000 0.972 54 D CA 0.775 54.761 54.000 -0.024 0.000 0.887 54 D CB 0.018 40.803 40.800 -0.024 0.000 0.915 54 D HN 0.542 nan 8.370 nan 0.000 0.497 55 E N -0.283 119.911 120.200 -0.009 0.000 2.216 55 E HA -0.038 4.312 4.350 -0.001 0.000 0.192 55 E C 1.872 178.478 176.600 0.010 0.000 0.988 55 E CA 0.303 56.706 56.400 0.004 0.000 0.834 55 E CB 0.251 29.955 29.700 0.006 0.000 0.772 55 E HN 0.311 nan 8.360 nan 0.000 0.479 56 I N 0.002 120.574 120.570 0.003 0.000 2.810 56 I HA -0.006 4.163 4.170 -0.001 0.000 0.262 56 I C 0.781 176.900 176.117 0.003 0.000 1.131 56 I CA 0.291 61.596 61.300 0.010 0.000 1.453 56 I CB 0.072 38.077 38.000 0.008 0.000 1.161 56 I HN -0.264 nan 8.210 nan 0.000 0.444 57 V N 2.785 122.694 119.914 -0.010 0.000 2.275 57 V HA 0.269 4.389 4.120 -0.001 0.000 0.272 57 V C -0.121 175.948 176.094 -0.040 0.000 1.028 57 V CA -0.563 61.725 62.300 -0.020 0.000 0.810 57 V CB 1.634 33.449 31.823 -0.013 0.000 1.043 57 V HN -0.153 nan 8.190 nan 0.000 0.453 58 V N 8.388 128.259 119.914 -0.071 0.000 2.432 58 V HA 0.250 4.369 4.120 -0.001 0.000 0.271 58 V C -2.101 173.936 176.094 -0.094 0.000 1.046 58 V CA -1.802 60.433 62.300 -0.109 0.000 0.945 58 V CB 1.294 32.976 31.823 -0.236 0.000 0.992 58 V HN 0.666 nan 8.190 nan 0.000 0.471 59 P HA 0.014 nan 4.420 nan 0.000 0.267 59 P C 0.276 177.559 177.300 -0.028 0.000 1.205 59 P CA 0.083 63.164 63.100 -0.031 0.000 0.765 59 P CB 0.342 32.026 31.700 -0.026 0.000 0.828 60 Y N 4.662 124.891 120.300 -0.118 0.000 2.207 60 Y HA -0.264 4.286 4.550 -0.001 0.000 0.287 60 Y C 1.924 177.759 175.900 -0.108 0.000 1.156 60 Y CA 1.859 59.880 58.100 -0.131 0.000 1.182 60 Y CB -0.136 38.259 38.460 -0.109 0.000 0.979 60 Y HN 0.410 nan 8.280 nan 0.000 0.521 61 E N -0.547 119.649 120.200 -0.007 0.000 2.482 61 E HA -0.119 4.230 4.350 -0.001 0.000 0.196 61 E C 1.115 177.639 176.600 -0.126 0.000 1.047 61 E CA 0.672 57.023 56.400 -0.081 0.000 0.869 61 E CB -0.149 29.556 29.700 0.009 0.000 0.836 61 E HN 0.347 nan 8.360 nan 0.000 0.520 62 K N 0.395 120.719 120.400 -0.127 0.000 2.393 62 K HA 0.258 4.578 4.320 -0.001 0.000 0.193 62 K C 0.934 177.455 176.600 -0.133 0.000 1.026 62 K CA 0.108 56.331 56.287 -0.108 0.000 1.064 62 K CB 0.121 32.576 32.500 -0.075 0.000 0.833 62 K HN 0.261 nan 8.250 nan 0.000 0.521 63 M N 1.351 120.815 119.600 -0.226 0.000 2.233 63 M HA 0.063 4.542 4.480 -0.001 0.000 0.350 63 M C 0.053 176.241 176.300 -0.188 0.000 1.176 63 M CA 0.296 55.474 55.300 -0.204 0.000 1.150 63 M CB 0.663 33.051 32.600 -0.355 0.000 1.530 63 M HN -0.177 nan 8.290 nan 0.000 0.459 64 T N 4.728 119.219 114.554 -0.105 0.000 2.769 64 T HA 0.235 4.584 4.350 -0.001 0.000 0.293 64 T C -2.099 172.512 174.700 -0.149 0.000 0.931 64 T CA -0.949 61.082 62.100 -0.114 0.000 1.139 64 T CB -0.198 68.620 68.868 -0.084 0.000 0.881 64 T HN 0.427 nan 8.240 nan 0.000 0.532 65 P HA 0.247 nan 4.420 nan 0.000 0.274 65 P C -0.192 177.039 177.300 -0.115 0.000 1.256 65 P CA -0.561 62.446 63.100 -0.156 0.000 0.795 65 P CB 0.569 32.189 31.700 -0.134 0.000 1.038 66 V N 0.846 120.695 119.914 -0.108 0.000 2.811 66 V HA 0.074 4.194 4.120 -0.001 0.000 0.302 66 V C 1.534 177.589 176.094 -0.065 0.000 1.063 66 V CA 0.092 62.339 62.300 -0.089 0.000 1.088 66 V CB 0.444 32.210 31.823 -0.095 0.000 0.982 66 V HN 0.837 nan 8.190 nan 0.000 0.485 67 S N 3.894 119.562 115.700 -0.054 0.000 2.634 67 S HA 0.058 4.528 4.470 -0.001 0.000 0.254 67 S C 0.604 175.191 174.600 -0.022 0.000 1.299 67 S CA -0.190 57.988 58.200 -0.036 0.000 0.974 67 S CB 0.381 63.563 63.200 -0.031 0.000 1.001 67 S HN 0.656 nan 8.310 nan 0.000 0.584 68 Q N 0.374 120.168 119.800 -0.009 0.000 2.365 68 Q HA 0.225 4.565 4.340 -0.001 0.000 0.203 68 Q C -0.481 175.529 176.000 0.017 0.000 0.929 68 Q CA 0.215 56.022 55.803 0.008 0.000 0.948 68 Q CB -0.535 28.208 28.738 0.009 0.000 1.043 68 Q HN 0.706 nan 8.270 nan 0.000 0.505 69 D N 0.120 120.524 120.400 0.007 0.000 2.313 69 D HA 0.059 4.699 4.640 -0.001 0.000 0.239 69 D C 1.078 177.390 176.300 0.021 0.000 1.142 69 D CA -0.274 53.734 54.000 0.014 0.000 0.847 69 D CB 1.411 42.213 40.800 0.003 0.000 1.082 69 D HN -0.218 nan 8.370 nan 0.000 0.480 70 V N 4.341 124.288 119.914 0.054 0.000 2.594 70 V HA -0.229 3.891 4.120 -0.001 0.000 0.253 70 V C 2.427 178.550 176.094 0.049 0.000 1.069 70 V CA 1.939 64.295 62.300 0.094 0.000 1.082 70 V CB -0.730 31.202 31.823 0.182 0.000 0.680 70 V HN 0.721 nan 8.190 nan 0.000 0.469 71 A N -0.305 122.536 122.820 0.034 0.000 1.948 71 A HA -0.311 4.009 4.320 -0.001 0.000 0.220 71 A C 2.300 179.876 177.584 -0.014 0.000 1.177 71 A CA 2.182 54.229 52.037 0.016 0.000 0.636 71 A CB -0.455 18.554 19.000 0.015 0.000 0.815 71 A HN 0.640 nan 8.150 nan 0.000 0.449 72 E N -1.018 119.165 120.200 -0.028 0.000 2.047 72 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 72 E C 2.021 178.569 176.600 -0.088 0.000 0.987 72 E CA 1.560 57.930 56.400 -0.050 0.000 0.799 72 E CB -0.137 29.532 29.700 -0.051 0.000 0.752 72 E HN 0.547 nan 8.360 nan 0.000 0.449 73 T N 1.179 115.657 114.554 -0.128 0.000 2.708 73 T HA -0.154 4.195 4.350 -0.001 0.000 0.266 73 T C 1.794 176.338 174.700 -0.260 0.000 1.037 73 T CA 1.171 63.121 62.100 -0.249 0.000 1.146 73 T CB -0.136 68.480 68.868 -0.421 0.000 0.865 73 T HN 0.047 nan 8.240 nan 0.000 0.435 74 K N 1.419 121.713 120.400 -0.178 0.000 2.063 74 K HA -0.123 4.196 4.320 -0.001 0.000 0.208 74 K C 2.239 178.813 176.600 -0.042 0.000 1.048 74 K CA 1.280 57.519 56.287 -0.079 0.000 0.928 74 K CB -0.649 31.867 32.500 0.028 0.000 0.713 74 K HN 0.409 nan 8.250 nan 0.000 0.442 75 N N 0.546 119.225 118.700 -0.035 0.000 2.061 75 N HA -0.184 4.555 4.740 -0.001 0.000 0.193 75 N C 2.123 177.622 175.510 -0.019 0.000 1.030 75 N CA 1.230 54.270 53.050 -0.016 0.000 0.856 75 N CB -0.045 38.432 38.487 -0.017 0.000 1.023 75 N HN 0.124 nan 8.380 nan 0.000 0.424 76 L N 0.952 122.146 121.223 -0.049 0.000 2.017 76 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 76 L C 2.490 179.350 176.870 -0.016 0.000 1.073 76 L CA 0.846 55.659 54.840 -0.045 0.000 0.745 76 L CB -0.463 41.543 42.059 -0.089 0.000 0.894 76 L HN 0.236 nan 8.230 nan 0.000 0.432 77 L N -0.410 120.787 121.223 -0.043 0.000 2.131 77 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 77 L C 1.948 178.835 176.870 0.028 0.000 1.092 77 L CA 0.865 55.698 54.840 -0.011 0.000 0.759 77 L CB -0.615 41.415 42.059 -0.047 0.000 0.903 77 L HN 0.301 nan 8.230 nan 0.000 0.435 78 D N 0.241 120.657 120.400 0.027 0.000 2.350 78 D HA -0.126 4.513 4.640 -0.001 0.000 0.216 78 D C 1.725 178.061 176.300 0.059 0.000 0.968 78 D CA 1.046 55.074 54.000 0.046 0.000 0.894 78 D CB 0.069 40.895 40.800 0.043 0.000 0.909 78 D HN 0.358 nan 8.370 nan 0.000 0.520 79 K N -0.430 120.012 120.400 0.071 0.000 2.358 79 K HA 0.134 4.454 4.320 -0.001 0.000 0.197 79 K C 0.246 176.920 176.600 0.123 0.000 1.025 79 K CA -0.320 56.029 56.287 0.104 0.000 1.104 79 K CB 1.022 33.604 32.500 0.136 0.000 0.855 79 K HN -0.012 nan 8.250 nan 0.000 0.531 80 L N 0.941 122.218 121.223 0.090 0.000 2.334 80 L HA 0.364 4.704 4.340 -0.001 0.000 0.276 80 L C -0.962 175.894 176.870 -0.024 0.000 1.014 80 L CA -0.784 54.112 54.840 0.093 0.000 0.815 80 L CB 1.809 43.941 42.059 0.122 0.000 1.268 80 L HN -0.287 nan 8.230 nan 0.000 0.428 81 V N 4.963 124.817 119.914 -0.101 0.000 2.555 81 V HA 0.510 4.630 4.120 -0.001 0.000 0.302 81 V C -0.499 175.497 176.094 -0.164 0.000 1.038 81 V CA -0.768 61.359 62.300 -0.289 0.000 0.887 81 V CB 1.894 33.349 31.823 -0.614 0.000 0.991 81 V HN 0.515 nan 8.190 nan 0.000 0.434 82 V N 6.048 125.877 119.914 -0.142 0.000 2.370 82 V HA 0.490 4.610 4.120 -0.001 0.000 0.279 82 V C -0.253 175.749 176.094 -0.153 0.000 1.029 82 V CA -0.380 61.864 62.300 -0.094 0.000 0.870 82 V CB 1.510 33.329 31.823 -0.007 0.000 0.984 82 V HN 0.698 nan 8.190 nan 0.000 0.451 83 L N 5.831 126.920 121.223 -0.224 0.000 2.365 83 L HA 0.704 5.044 4.340 -0.001 0.000 0.273 83 L C -0.720 175.989 176.870 -0.269 0.000 1.000 83 L CA -0.518 54.211 54.840 -0.185 0.000 0.819 83 L CB 1.669 43.649 42.059 -0.133 0.000 1.284 83 L HN 0.441 nan 8.230 nan 0.000 0.418 84 K N 5.911 126.190 120.400 -0.201 0.000 2.345 84 K HA 0.453 4.773 4.320 -0.001 0.000 0.255 84 K C -1.053 175.420 176.600 -0.210 0.000 0.934 84 K CA -0.562 55.588 56.287 -0.227 0.000 0.801 84 K CB 2.249 34.645 32.500 -0.173 0.000 1.137 84 K HN 0.611 nan 8.250 nan 0.000 0.424 85 L N 2.769 123.858 121.223 -0.223 0.000 2.433 85 L HA 0.118 4.458 4.340 -0.001 0.000 0.275 85 L C 0.798 177.560 176.870 -0.180 0.000 1.128 85 L CA -0.003 54.720 54.840 -0.195 0.000 0.875 85 L CB -0.115 41.844 42.059 -0.166 0.000 1.171 85 L HN 0.575 nan 8.230 nan 0.000 0.463 86 N N 1.466 120.055 118.700 -0.185 0.000 2.466 86 N HA 0.162 4.902 4.740 -0.001 0.000 0.272 86 N C 0.920 176.336 175.510 -0.158 0.000 1.455 86 N CA 0.141 53.093 53.050 -0.164 0.000 0.875 86 N CB 0.905 39.305 38.487 -0.145 0.000 1.372 86 N HN 0.571 nan 8.380 nan 0.000 0.492 87 G N -1.339 107.365 108.800 -0.160 0.000 2.838 87 G HA2 0.193 4.152 3.960 -0.001 0.000 0.210 87 G HA3 0.193 4.152 3.960 -0.001 0.000 0.210 87 G C 0.621 175.420 174.900 -0.168 0.000 1.153 87 G CA 0.068 45.065 45.100 -0.172 0.000 0.778 87 G HN 0.315 nan 8.290 nan 0.000 0.539 88 G N -0.092 108.624 108.800 -0.139 0.000 2.377 88 G HA2 0.542 4.501 3.960 -0.001 0.000 0.299 88 G HA3 0.542 4.501 3.960 -0.001 0.000 0.299 88 G C -0.453 174.379 174.900 -0.114 0.000 1.150 88 G CA -0.584 44.443 45.100 -0.122 0.000 0.847 88 G HN 0.185 nan 8.290 nan 0.000 0.501 89 L N 0.956 122.122 121.223 -0.096 0.000 2.399 89 L HA 0.437 4.777 4.340 -0.001 0.000 0.265 89 L C 1.650 178.487 176.870 -0.055 0.000 1.089 89 L CA -0.722 54.075 54.840 -0.071 0.000 0.802 89 L CB 1.761 43.785 42.059 -0.060 0.000 1.180 89 L HN 0.658 nan 8.230 nan 0.000 0.454 90 G N -1.141 107.638 108.800 -0.035 0.000 3.210 90 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.220 90 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.220 90 G C 1.331 176.226 174.900 -0.008 0.000 1.200 90 G CA 0.553 45.642 45.100 -0.020 0.000 0.834 90 G HN 0.800 nan 8.290 nan 0.000 0.524 91 T N -1.776 112.772 114.554 -0.011 0.000 2.720 91 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 91 T C 2.268 176.969 174.700 0.003 0.000 1.037 91 T CA 2.094 64.194 62.100 0.000 0.000 1.144 91 T CB -0.759 68.110 68.868 0.002 0.000 0.864 91 T HN 0.069 nan 8.240 nan 0.000 0.444 92 T N 1.842 116.393 114.554 -0.005 0.000 2.803 92 T HA 0.066 4.415 4.350 -0.001 0.000 0.269 92 T C 1.498 176.198 174.700 0.001 0.000 1.052 92 T CA 1.318 63.416 62.100 -0.003 0.000 1.136 92 T CB -0.431 68.430 68.868 -0.012 0.000 0.864 92 T HN 0.434 nan 8.240 nan 0.000 0.467 93 M N 0.570 120.170 119.600 -0.001 0.000 2.551 93 M HA 0.299 4.779 4.480 -0.001 0.000 0.252 93 M C 1.257 177.572 176.300 0.024 0.000 1.219 93 M CA -0.168 55.136 55.300 0.006 0.000 0.978 93 M CB 0.305 32.902 32.600 -0.004 0.000 1.533 93 M HN 0.334 nan 8.290 nan 0.000 0.474 94 G N 0.901 109.715 108.800 0.024 0.000 2.283 94 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.280 94 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.280 94 G C -0.272 174.648 174.900 0.033 0.000 1.029 94 G CA -0.103 45.015 45.100 0.030 0.000 0.840 94 G HN 0.553 nan 8.290 nan 0.000 0.505 95 C N -0.401 118.915 119.300 0.027 0.000 2.561 95 C HA 0.757 5.217 4.460 -0.001 0.000 0.319 95 C C 1.957 176.959 174.990 0.019 0.000 1.198 95 C CA 0.127 59.162 59.018 0.029 0.000 1.665 95 C CB 1.409 29.172 27.740 0.038 0.000 2.258 95 C HN 0.694 nan 8.230 nan 0.000 0.493 96 T N 1.251 115.816 114.554 0.020 0.000 2.559 96 T HA 0.081 4.431 4.350 -0.001 0.000 0.251 96 T C 1.370 176.073 174.700 0.005 0.000 1.122 96 T CA 1.169 63.278 62.100 0.014 0.000 1.231 96 T CB -0.905 67.972 68.868 0.016 0.000 0.881 96 T HN 0.881 nan 8.240 nan 0.000 0.397 97 G N 2.989 111.792 108.800 0.005 0.000 2.467 97 G HA2 0.412 4.371 3.960 -0.001 0.000 0.243 97 G HA3 0.412 4.371 3.960 -0.001 0.000 0.243 97 G C -2.408 172.483 174.900 -0.016 0.000 1.521 97 G CA -0.990 44.107 45.100 -0.005 0.000 1.055 97 G HN 0.379 nan 8.290 nan 0.000 0.553 98 P HA 0.112 nan 4.420 nan 0.000 0.266 98 P C 0.595 177.875 177.300 -0.034 0.000 1.195 98 P CA -0.060 63.015 63.100 -0.042 0.000 0.768 98 P CB 0.885 32.564 31.700 -0.036 0.000 0.838 99 K N 2.330 122.686 120.400 -0.073 0.000 2.152 99 K HA -0.164 4.156 4.320 -0.001 0.000 0.206 99 K C 1.621 178.174 176.600 -0.078 0.000 1.048 99 K CA 1.990 58.222 56.287 -0.091 0.000 0.933 99 K CB -0.317 32.074 32.500 -0.181 0.000 0.721 99 K HN 0.530 nan 8.250 nan 0.000 0.447 100 S N 0.126 115.768 115.700 -0.097 0.000 2.507 100 S HA -0.078 4.392 4.470 -0.001 0.000 0.235 100 S C 1.629 176.359 174.600 0.217 0.000 0.988 100 S CA 0.900 59.099 58.200 -0.002 0.000 0.944 100 S CB -0.263 62.914 63.200 -0.037 0.000 0.762 100 S HN 0.261 nan 8.310 nan 0.000 0.526 101 V N -1.598 118.398 119.914 0.136 0.000 3.596 101 V HA 0.481 4.601 4.120 -0.001 0.000 0.289 101 V C 0.498 176.671 176.094 0.132 0.000 1.336 101 V CA -0.708 61.665 62.300 0.122 0.000 1.137 101 V CB -1.049 30.810 31.823 0.061 0.000 0.966 101 V HN 0.421 nan 8.190 nan 0.000 0.428 102 I N 1.941 122.639 120.570 0.213 0.000 2.648 102 I HA 0.111 4.281 4.170 -0.001 0.000 0.284 102 I C 0.714 176.869 176.117 0.062 0.000 1.153 102 I CA 0.295 61.700 61.300 0.175 0.000 1.426 102 I CB 0.537 38.694 38.000 0.263 0.000 1.381 102 I HN 0.361 nan 8.210 nan 0.000 0.571 103 E N 4.374 124.568 120.200 -0.009 0.000 2.344 103 E HA 0.058 4.408 4.350 -0.001 0.000 0.270 103 E C 0.477 176.952 176.600 -0.209 0.000 1.021 103 E CA -0.305 56.036 56.400 -0.098 0.000 0.887 103 E CB 1.435 31.110 29.700 -0.041 0.000 0.997 103 E HN 0.423 nan 8.360 nan 0.000 0.429 104 V N 3.386 123.083 119.914 -0.363 0.000 2.403 104 V HA 0.012 4.131 4.120 -0.001 0.000 0.239 104 V C 0.581 176.539 176.094 -0.227 0.000 1.041 104 V CA 0.967 62.994 62.300 -0.455 0.000 1.051 104 V CB -0.096 31.332 31.823 -0.659 0.000 0.704 104 V HN 0.690 nan 8.190 nan 0.000 0.472 105 R N -0.725 119.673 120.500 -0.169 0.000 2.604 105 R HA 0.312 4.651 4.340 -0.001 0.000 0.261 105 R C -1.407 174.854 176.300 -0.064 0.000 1.080 105 R CA -0.121 55.924 56.100 -0.092 0.000 0.917 105 R CB 0.799 31.049 30.300 -0.084 0.000 1.252 105 R HN 0.150 nan 8.270 nan 0.000 0.456 106 D N 2.949 123.328 120.400 -0.035 0.000 2.837 106 D HA -0.152 4.487 4.640 -0.001 0.000 0.230 106 D C 0.827 177.113 176.300 -0.024 0.000 1.152 106 D CA 2.381 56.367 54.000 -0.023 0.000 0.736 106 D CB -1.254 39.534 40.800 -0.020 0.000 1.084 106 D HN 1.286 nan 8.370 nan 0.000 0.429 107 G N -1.360 107.424 108.800 -0.027 0.000 2.168 107 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.263 107 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.263 107 G C 0.259 175.142 174.900 -0.029 0.000 0.977 107 G CA 0.582 45.669 45.100 -0.022 0.000 0.659 107 G HN 0.522 nan 8.290 nan 0.000 0.533 108 L N 1.524 122.718 121.223 -0.049 0.000 2.309 108 L HA 0.598 4.938 4.340 -0.001 0.000 0.282 108 L C 1.329 178.141 176.870 -0.096 0.000 1.036 108 L CA -0.376 54.436 54.840 -0.047 0.000 0.806 108 L CB 1.595 43.627 42.059 -0.045 0.000 1.220 108 L HN 0.334 nan 8.230 nan 0.000 0.429 109 T N -1.860 112.662 114.554 -0.052 0.000 2.788 109 T HA 0.261 4.611 4.350 -0.001 0.000 0.280 109 T C 1.138 175.781 174.700 -0.096 0.000 0.984 109 T CA -0.291 61.767 62.100 -0.070 0.000 0.972 109 T CB 0.557 69.455 68.868 0.050 0.000 1.039 109 T HN 0.291 nan 8.240 nan 0.000 0.530 110 F N 0.074 120.009 119.950 -0.025 0.000 2.095 110 F HA -0.005 4.522 4.527 -0.001 0.000 0.298 110 F C 2.394 178.171 175.800 -0.039 0.000 1.104 110 F CA 1.292 59.268 58.000 -0.041 0.000 1.232 110 F CB -0.829 38.139 39.000 -0.054 0.000 0.987 110 F HN 0.376 nan 8.300 nan 0.000 0.475 111 L N -0.439 120.897 121.223 0.188 0.000 2.042 111 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 111 L C 2.187 179.082 176.870 0.042 0.000 1.076 111 L CA 1.292 56.187 54.840 0.091 0.000 0.749 111 L CB -0.799 41.315 42.059 0.092 0.000 0.893 111 L HN 0.117 nan 8.230 nan 0.000 0.432 112 D N 0.340 120.791 120.400 0.084 0.000 2.116 112 D HA -0.189 4.451 4.640 -0.001 0.000 0.193 112 D C 2.378 178.639 176.300 -0.065 0.000 0.998 112 D CA 1.369 55.414 54.000 0.076 0.000 0.836 112 D CB -0.195 40.679 40.800 0.124 0.000 0.951 112 D HN 0.306 nan 8.370 nan 0.000 0.449 113 L N 0.385 121.578 121.223 -0.050 0.000 2.056 113 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 113 L C 2.626 179.439 176.870 -0.095 0.000 1.078 113 L CA 0.547 55.338 54.840 -0.083 0.000 0.749 113 L CB -0.343 41.679 42.059 -0.063 0.000 0.901 113 L HN -0.001 nan 8.230 nan 0.000 0.433 114 I N -0.581 119.958 120.570 -0.052 0.000 2.163 114 I HA -0.299 3.871 4.170 -0.001 0.000 0.243 114 I C 2.464 178.505 176.117 -0.126 0.000 1.085 114 I CA 1.317 62.584 61.300 -0.055 0.000 1.347 114 I CB -0.339 37.644 38.000 -0.028 0.000 1.044 114 I HN 0.012 nan 8.210 nan 0.000 0.408 115 V N 0.883 120.662 119.914 -0.224 0.000 2.343 115 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 115 V C 2.292 178.189 176.094 -0.329 0.000 1.051 115 V CA 1.849 63.933 62.300 -0.360 0.000 1.036 115 V CB -0.464 30.884 31.823 -0.791 0.000 0.654 115 V HN 0.330 nan 8.190 nan 0.000 0.451 116 I N -0.317 120.067 120.570 -0.311 0.000 2.208 116 I HA -0.324 3.845 4.170 -0.001 0.000 0.245 116 I C 2.681 178.669 176.117 -0.216 0.000 1.097 116 I CA 1.709 62.869 61.300 -0.234 0.000 1.363 116 I CB -0.323 37.565 38.000 -0.187 0.000 1.051 116 I HN 0.353 nan 8.210 nan 0.000 0.413 117 Q N 0.035 119.701 119.800 -0.224 0.000 2.079 117 Q HA -0.151 4.189 4.340 -0.001 0.000 0.200 117 Q C 2.305 178.252 176.000 -0.088 0.000 0.974 117 Q CA 1.232 56.890 55.803 -0.241 0.000 0.840 117 Q CB 0.057 28.698 28.738 -0.162 0.000 0.898 117 Q HN 0.417 nan 8.270 nan 0.000 0.430 118 I N 0.855 121.390 120.570 -0.058 0.000 2.252 118 I HA -0.225 3.944 4.170 -0.001 0.000 0.245 118 I C 2.311 178.419 176.117 -0.014 0.000 1.102 118 I CA 1.391 62.687 61.300 -0.007 0.000 1.385 118 I CB -1.180 36.815 38.000 -0.009 0.000 1.064 118 I HN 0.352 nan 8.210 nan 0.000 0.414 119 E N 1.394 121.556 120.200 -0.063 0.000 2.097 119 E HA -0.270 4.079 4.350 -0.001 0.000 0.196 119 E C 1.883 178.462 176.600 -0.035 0.000 1.000 119 E CA 1.767 58.137 56.400 -0.051 0.000 0.804 119 E CB 0.066 29.715 29.700 -0.084 0.000 0.740 119 E HN 0.419 nan 8.360 nan 0.000 0.454 120 N N 0.496 119.160 118.700 -0.060 0.000 2.120 120 N HA -0.141 4.599 4.740 -0.001 0.000 0.188 120 N C 1.999 177.509 175.510 0.001 0.000 1.024 120 N CA 0.880 53.898 53.050 -0.053 0.000 0.852 120 N CB -0.361 38.063 38.487 -0.106 0.000 1.003 120 N HN 0.238 nan 8.380 nan 0.000 0.424 121 L N 1.015 122.281 121.223 0.071 0.000 2.013 121 L HA -0.212 4.128 4.340 -0.001 0.000 0.212 121 L C 1.811 178.787 176.870 0.176 0.000 1.073 121 L CA 1.193 56.151 54.840 0.197 0.000 0.753 121 L CB -0.429 41.758 42.059 0.213 0.000 0.890 121 L HN 0.178 nan 8.230 nan 0.000 0.432 122 N N -0.111 118.649 118.700 0.100 0.000 2.142 122 N HA -0.154 4.586 4.740 -0.001 0.000 0.186 122 N C 1.598 177.139 175.510 0.052 0.000 1.023 122 N CA 1.121 54.224 53.050 0.088 0.000 0.852 122 N CB -0.522 38.000 38.487 0.058 0.000 0.998 122 N HN 0.305 nan 8.380 nan 0.000 0.424 123 N N 0.876 119.582 118.700 0.010 0.000 2.188 123 N HA -0.100 4.639 4.740 -0.001 0.000 0.184 123 N C 1.604 177.072 175.510 -0.070 0.000 1.018 123 N CA 0.704 53.741 53.050 -0.022 0.000 0.858 123 N CB -0.090 38.378 38.487 -0.031 0.000 0.989 123 N HN 0.382 nan 8.380 nan 0.000 0.426 124 K N -0.471 119.844 120.400 -0.140 0.000 2.062 124 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 124 K C 0.815 177.150 176.600 -0.442 0.000 1.051 124 K CA 1.079 57.149 56.287 -0.363 0.000 0.941 124 K CB 0.051 32.200 32.500 -0.586 0.000 0.719 124 K HN 0.166 nan 8.250 nan 0.000 0.440 125 Y N -1.037 119.279 120.300 0.028 0.000 2.442 125 Y HA 0.267 4.817 4.550 -0.001 0.000 0.250 125 Y C 1.198 177.113 175.900 0.025 0.000 1.113 125 Y CA 0.236 58.353 58.100 0.027 0.000 1.273 125 Y CB 1.092 39.571 38.460 0.031 0.000 1.138 125 Y HN 0.287 nan 8.280 nan 0.000 0.522 126 G N 0.451 109.327 108.800 0.127 0.000 2.153 126 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.252 126 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.252 126 G C 0.451 175.411 174.900 0.101 0.000 0.994 126 G CA 0.135 45.290 45.100 0.092 0.000 0.698 126 G HN 0.505 nan 8.290 nan 0.000 0.521 127 C N -1.546 117.831 119.300 0.129 0.000 2.411 127 C HA 0.912 5.372 4.460 -0.001 0.000 0.358 127 C C 0.548 175.591 174.990 0.089 0.000 1.349 127 C CA -1.211 57.869 59.018 0.103 0.000 2.326 127 C CB 1.662 29.465 27.740 0.105 0.000 2.166 127 C HN 0.291 nan 8.230 nan 0.000 0.609 128 K N 1.115 121.564 120.400 0.081 0.000 2.954 128 K HA 0.325 4.644 4.320 -0.001 0.000 0.171 128 K C -0.959 175.690 176.600 0.081 0.000 1.079 128 K CA -0.160 56.175 56.287 0.080 0.000 0.908 128 K CB 1.010 33.559 32.500 0.083 0.000 1.142 128 K HN 0.590 nan 8.250 nan 0.000 0.613 129 V N 4.396 124.353 119.914 0.071 0.000 2.485 129 V HA 0.064 4.183 4.120 -0.001 0.000 0.287 129 V C -1.694 174.431 176.094 0.052 0.000 1.022 129 V CA -0.976 61.354 62.300 0.051 0.000 1.067 129 V CB 0.235 32.090 31.823 0.053 0.000 0.967 129 V HN 0.337 nan 8.190 nan 0.000 0.479 130 P HA 0.265 nan 4.420 nan 0.000 0.278 130 P C -0.877 176.438 177.300 0.025 0.000 1.238 130 P CA -0.570 62.589 63.100 0.098 0.000 0.794 130 P CB 1.512 33.293 31.700 0.134 0.000 0.955 131 L N 4.122 125.412 121.223 0.112 0.000 2.296 131 L HA 0.440 4.779 4.340 -0.001 0.000 0.286 131 L C -0.995 175.972 176.870 0.162 0.000 1.023 131 L CA -0.541 54.339 54.840 0.067 0.000 0.812 131 L CB 1.413 43.494 42.059 0.037 0.000 1.223 131 L HN 0.090 nan 8.230 nan 0.000 0.421 132 V N 6.263 126.236 119.914 0.099 0.000 2.540 132 V HA 0.471 4.591 4.120 -0.001 0.000 0.302 132 V C -0.195 175.948 176.094 0.082 0.000 1.035 132 V CA -0.641 61.782 62.300 0.204 0.000 0.873 132 V CB 1.625 33.618 31.823 0.284 0.000 0.992 132 V HN 0.606 nan 8.190 nan 0.000 0.428 133 L N 4.895 126.150 121.223 0.053 0.000 2.287 133 L HA 0.566 4.906 4.340 -0.001 0.000 0.287 133 L C -0.028 176.657 176.870 -0.307 0.000 1.022 133 L CA -0.284 54.502 54.840 -0.090 0.000 0.814 133 L CB 1.566 43.592 42.059 -0.056 0.000 1.217 133 L HN 0.621 nan 8.230 nan 0.000 0.420 134 M N 4.768 124.093 119.600 -0.459 0.000 2.135 134 M HA 0.253 4.732 4.480 -0.001 0.000 0.345 134 M C -0.809 175.199 176.300 -0.487 0.000 1.340 134 M CA -0.206 54.583 55.300 -0.851 0.000 1.162 134 M CB 0.109 32.312 32.600 -0.662 0.000 1.570 134 M HN 0.597 nan 8.290 nan 0.000 0.454 135 N N 2.087 120.525 118.700 -0.437 0.000 2.478 135 N HA 0.496 5.236 4.740 -0.001 0.000 0.275 135 N C -0.560 174.814 175.510 -0.227 0.000 1.221 135 N CA -0.385 52.541 53.050 -0.207 0.000 0.979 135 N CB 1.551 40.060 38.487 0.036 0.000 1.202 135 N HN 0.703 nan 8.380 nan 0.000 0.564 136 S N -0.988 114.606 115.700 -0.177 0.000 2.759 136 S HA 0.416 4.886 4.470 -0.001 0.000 0.310 136 S C 0.930 175.443 174.600 -0.145 0.000 1.123 136 S CA -0.777 57.298 58.200 -0.209 0.000 0.959 136 S CB 0.340 63.335 63.200 -0.342 0.000 1.172 136 S HN 0.510 nan 8.310 nan 0.000 0.539 137 F N 0.562 120.462 119.950 -0.085 0.000 2.307 137 F HA 0.096 4.622 4.527 -0.001 0.000 0.301 137 F C 1.306 177.098 175.800 -0.015 0.000 1.076 137 F CA 1.183 59.146 58.000 -0.062 0.000 1.383 137 F CB -1.320 37.607 39.000 -0.123 0.000 1.055 137 F HN 0.519 nan 8.300 nan 0.000 0.526 138 N N -0.251 118.142 118.700 -0.512 0.000 2.446 138 N HA -0.028 4.712 4.740 -0.001 0.000 0.179 138 N C 1.272 176.705 175.510 -0.129 0.000 1.054 138 N CA 1.117 53.988 53.050 -0.298 0.000 0.905 138 N CB 0.016 38.249 38.487 -0.422 0.000 0.973 138 N HN 0.538 nan 8.380 nan 0.000 0.448 139 T N -4.097 110.393 114.554 -0.107 0.000 3.004 139 T HA 0.121 4.471 4.350 -0.001 0.000 0.266 139 T C 1.217 175.929 174.700 0.021 0.000 0.986 139 T CA -0.177 61.894 62.100 -0.048 0.000 0.902 139 T CB -0.014 68.808 68.868 -0.077 0.000 1.118 139 T HN 0.100 nan 8.240 nan 0.000 0.522 140 H N 2.889 121.931 119.070 -0.047 0.000 2.284 140 H HA 0.015 4.571 4.556 -0.001 0.000 0.304 140 H C 1.594 176.943 175.328 0.035 0.000 1.069 140 H CA 2.496 58.538 56.048 -0.009 0.000 1.327 140 H CB -0.503 29.256 29.762 -0.006 0.000 1.387 140 H HN 0.548 nan 8.280 nan 0.000 0.498 141 D N 0.464 120.856 120.400 -0.014 0.000 2.723 141 D HA -0.312 4.327 4.640 -0.001 0.000 0.208 141 D C 1.500 177.773 176.300 -0.046 0.000 1.050 141 D CA 2.057 56.028 54.000 -0.049 0.000 0.893 141 D CB -0.663 40.142 40.800 0.008 0.000 1.062 141 D HN 0.418 nan 8.370 nan 0.000 0.478 142 D N -0.579 119.810 120.400 -0.019 0.000 2.117 142 D HA -0.092 4.547 4.640 -0.001 0.000 0.197 142 D C 2.329 178.619 176.300 -0.016 0.000 0.987 142 D CA 1.730 55.723 54.000 -0.013 0.000 0.829 142 D CB -0.832 39.963 40.800 -0.008 0.000 0.961 142 D HN 0.341 nan 8.370 nan 0.000 0.460 143 T N -0.410 114.128 114.554 -0.026 0.000 2.708 143 T HA -0.185 4.165 4.350 -0.001 0.000 0.266 143 T C 1.745 176.420 174.700 -0.042 0.000 1.037 143 T CA 1.448 63.531 62.100 -0.029 0.000 1.146 143 T CB -0.463 68.391 68.868 -0.023 0.000 0.865 143 T HN 0.315 nan 8.240 nan 0.000 0.435 144 H N 1.263 120.222 119.070 -0.186 0.000 2.353 144 H HA -0.069 4.486 4.556 -0.001 0.000 0.298 144 H C 2.388 177.654 175.328 -0.103 0.000 1.103 144 H CA 1.892 57.829 56.048 -0.185 0.000 1.293 144 H CB 0.061 29.630 29.762 -0.321 0.000 1.372 144 H HN 0.214 nan 8.280 nan 0.000 0.501 145 K N 0.670 121.106 120.400 0.060 0.000 2.002 145 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 145 K C 2.073 178.667 176.600 -0.011 0.000 1.048 145 K CA 1.980 58.281 56.287 0.023 0.000 0.930 145 K CB -0.299 32.206 32.500 0.009 0.000 0.714 145 K HN 0.380 nan 8.250 nan 0.000 0.438 146 I N 2.405 122.967 120.570 -0.015 0.000 2.264 146 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 146 I C 2.375 178.482 176.117 -0.016 0.000 1.111 146 I CA 1.262 62.553 61.300 -0.015 0.000 1.382 146 I CB -0.314 37.687 38.000 0.002 0.000 1.060 146 I HN 0.111 nan 8.210 nan 0.000 0.418 147 V N -1.957 117.943 119.914 -0.023 0.000 2.913 147 V HA -0.168 3.951 4.120 -0.001 0.000 0.260 147 V C 2.110 178.197 176.094 -0.012 0.000 1.098 147 V CA 1.339 63.641 62.300 0.005 0.000 1.121 147 V CB -0.822 30.978 31.823 -0.038 0.000 0.714 147 V HN 0.308 nan 8.190 nan 0.000 0.487 148 E N 2.180 122.349 120.200 -0.050 0.000 2.136 148 E HA -0.283 4.067 4.350 -0.001 0.000 0.202 148 E C 2.116 178.666 176.600 -0.082 0.000 1.019 148 E CA 2.388 58.756 56.400 -0.054 0.000 0.819 148 E CB -0.456 29.217 29.700 -0.045 0.000 0.739 148 E HN 0.919 nan 8.360 nan 0.000 0.458 149 K N -0.870 119.444 120.400 -0.144 0.000 2.286 149 K HA -0.216 4.103 4.320 -0.001 0.000 0.203 149 K C 0.724 177.056 176.600 -0.446 0.000 1.045 149 K CA 1.583 57.681 56.287 -0.315 0.000 0.935 149 K CB -0.290 31.954 32.500 -0.426 0.000 0.737 149 K HN 0.224 nan 8.250 nan 0.000 0.460 150 Y N 1.545 121.824 120.300 -0.034 0.000 2.636 150 Y HA 0.184 4.733 4.550 -0.001 0.000 0.260 150 Y C 1.437 177.317 175.900 -0.032 0.000 1.177 150 Y CA -0.344 57.737 58.100 -0.031 0.000 1.209 150 Y CB 0.455 38.897 38.460 -0.031 0.000 1.166 150 Y HN 0.055 nan 8.280 nan 0.000 0.531 151 T N -0.776 113.809 114.554 0.051 0.000 2.778 151 T HA -0.261 4.088 4.350 -0.001 0.000 0.269 151 T C 1.501 176.223 174.700 0.037 0.000 1.050 151 T CA 1.963 64.079 62.100 0.027 0.000 1.137 151 T CB -0.235 68.630 68.868 -0.005 0.000 0.860 151 T HN 0.527 nan 8.240 nan 0.000 0.468 152 N N 0.546 119.273 118.700 0.046 0.000 2.461 152 N HA 0.085 4.824 4.740 -0.001 0.000 0.188 152 N C -0.066 175.485 175.510 0.069 0.000 1.134 152 N CA -0.328 52.749 53.050 0.045 0.000 0.878 152 N CB 0.222 38.727 38.487 0.029 0.000 0.972 152 N HN 0.182 nan 8.380 nan 0.000 0.456 153 S N 1.040 116.807 115.700 0.110 0.000 2.580 153 S HA 0.040 4.509 4.470 -0.001 0.000 0.274 153 S C 0.460 175.082 174.600 0.038 0.000 1.329 153 S CA -0.524 57.728 58.200 0.086 0.000 1.036 153 S CB 0.854 64.102 63.200 0.081 0.000 0.919 153 S HN 0.228 nan 8.310 nan 0.000 0.515 154 N N 2.176 120.888 118.700 0.020 0.000 3.193 154 N HA 0.205 4.945 4.740 -0.001 0.000 0.312 154 N C -1.039 174.480 175.510 0.014 0.000 1.261 154 N CA -0.050 53.011 53.050 0.018 0.000 1.208 154 N CB -0.357 38.140 38.487 0.015 0.000 1.471 154 N HN 0.384 nan 8.380 nan 0.000 0.548 155 V N 0.740 120.662 119.914 0.014 0.000 2.924 155 V HA 0.306 4.426 4.120 -0.001 0.000 0.300 155 V C -1.707 174.403 176.094 0.028 0.000 1.227 155 V CA -0.980 61.332 62.300 0.020 0.000 0.954 155 V CB 2.028 33.845 31.823 -0.011 0.000 1.055 155 V HN 0.156 nan 8.190 nan 0.000 0.429 156 D N 6.154 126.589 120.400 0.058 0.000 2.316 156 D HA 0.457 5.097 4.640 -0.001 0.000 0.245 156 D C -0.139 176.192 176.300 0.052 0.000 1.171 156 D CA 0.391 54.409 54.000 0.030 0.000 0.856 156 D CB 1.486 42.338 40.800 0.087 0.000 1.090 156 D HN 0.543 nan 8.370 nan 0.000 0.476 157 I N 3.508 124.061 120.570 -0.028 0.000 2.312 157 I HA 0.150 4.319 4.170 -0.001 0.000 0.290 157 I C 0.548 176.648 176.117 -0.029 0.000 1.008 157 I CA -0.549 60.764 61.300 0.022 0.000 1.226 157 I CB 0.904 38.904 38.000 -0.000 0.000 1.371 157 I HN 0.169 nan 8.210 nan 0.000 0.468 158 H N 4.021 123.163 119.070 0.121 0.000 2.533 158 H HA 0.584 5.139 4.556 -0.001 0.000 0.343 158 H C -0.256 175.170 175.328 0.162 0.000 1.160 158 H CA -0.460 55.686 56.048 0.164 0.000 1.218 158 H CB 2.414 32.352 29.762 0.292 0.000 1.566 158 H HN 0.564 nan 8.280 nan 0.000 0.522 159 T N -0.282 114.460 114.554 0.314 0.000 2.909 159 T HA 0.611 4.960 4.350 -0.001 0.000 0.299 159 T C -0.817 174.138 174.700 0.425 0.000 1.073 159 T CA -0.915 61.350 62.100 0.276 0.000 0.999 159 T CB 1.591 70.580 68.868 0.203 0.000 1.098 159 T HN 0.514 nan 8.240 nan 0.000 0.477 160 F N -0.353 119.691 119.950 0.157 0.000 2.645 160 F HA 0.794 5.321 4.527 -0.001 0.000 0.310 160 F C -1.164 174.534 175.800 -0.169 0.000 1.102 160 F CA -1.249 56.760 58.000 0.015 0.000 0.952 160 F CB 1.316 40.319 39.000 0.004 0.000 1.326 160 F HN 0.652 nan 8.300 nan 0.000 0.456 161 N N 1.844 120.375 118.700 -0.281 0.000 2.438 161 N HA 0.266 5.006 4.740 -0.001 0.000 0.282 161 N C -0.735 174.724 175.510 -0.086 0.000 1.037 161 N CA -0.494 52.315 53.050 -0.400 0.000 0.942 161 N CB 1.470 39.593 38.487 -0.606 0.000 1.136 161 N HN 0.903 nan 8.380 nan 0.000 0.481 162 Q N 1.558 121.280 119.800 -0.132 0.000 2.397 162 Q HA 0.383 4.722 4.340 -0.001 0.000 0.193 162 Q C -0.362 175.604 176.000 -0.057 0.000 1.083 162 Q CA -0.656 55.135 55.803 -0.019 0.000 1.108 162 Q CB 0.136 28.825 28.738 -0.081 0.000 1.172 162 Q HN 0.464 nan 8.270 nan 0.000 0.617 163 S N 0.247 115.881 115.700 -0.110 0.000 2.573 163 S HA 0.101 4.570 4.470 -0.001 0.000 0.277 163 S C -0.307 174.163 174.600 -0.218 0.000 1.346 163 S CA -0.417 57.672 58.200 -0.185 0.000 1.034 163 S CB 0.377 63.334 63.200 -0.405 0.000 0.879 163 S HN 0.473 nan 8.310 nan 0.000 0.528 164 K N 1.992 122.304 120.400 -0.147 0.000 2.450 164 K HA 0.365 4.684 4.320 -0.001 0.000 0.257 164 K C -1.845 174.750 176.600 -0.009 0.000 0.953 164 K CA -0.469 55.733 56.287 -0.141 0.000 0.844 164 K CB 0.556 32.844 32.500 -0.354 0.000 1.103 164 K HN 0.508 nan 8.250 nan 0.000 0.429 165 Y N 2.987 123.112 120.300 -0.291 0.000 2.549 165 Y HA 0.438 4.987 4.550 -0.001 0.000 0.339 165 Y C -2.216 173.557 175.900 -0.212 0.000 1.053 165 Y CA -3.098 54.756 58.100 -0.409 0.000 1.105 165 Y CB 1.492 39.598 38.460 -0.589 0.000 1.258 165 Y HN 0.510 nan 8.280 nan 0.000 0.478 166 P HA 0.278 nan 4.420 nan 0.000 0.285 166 P C -0.539 176.781 177.300 0.033 0.000 1.259 166 P CA -0.516 62.421 63.100 -0.271 0.000 0.794 166 P CB 1.051 32.427 31.700 -0.539 0.000 0.940 167 R N 1.460 122.054 120.500 0.156 0.000 2.570 167 R HA 0.253 4.592 4.340 -0.001 0.000 0.277 167 R C -0.173 176.121 176.300 -0.011 0.000 1.039 167 R CA -0.152 56.033 56.100 0.142 0.000 1.065 167 R CB 0.212 30.619 30.300 0.178 0.000 0.964 167 R HN 0.319 nan 8.270 nan 0.000 0.428 168 V N 4.516 124.369 119.914 -0.102 0.000 2.394 168 V HA 0.137 4.256 4.120 -0.001 0.000 0.282 168 V C 0.046 175.959 176.094 -0.301 0.000 1.031 168 V CA -0.748 61.421 62.300 -0.218 0.000 0.881 168 V CB 1.850 33.450 31.823 -0.370 0.000 0.982 168 V HN 0.470 nan 8.190 nan 0.000 0.451 169 V N 5.421 125.162 119.914 -0.288 0.000 2.479 169 V HA 0.124 4.244 4.120 -0.001 0.000 0.281 169 V C 1.518 177.489 176.094 -0.204 0.000 1.031 169 V CA 0.752 62.858 62.300 -0.323 0.000 1.038 169 V CB 0.483 32.148 31.823 -0.264 0.000 0.981 169 V HN 1.105 nan 8.190 nan 0.000 0.478 170 A N 4.499 127.204 122.820 -0.191 0.000 1.892 170 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 170 A C 1.843 179.448 177.584 0.036 0.000 1.188 170 A CA 2.146 54.140 52.037 -0.072 0.000 0.631 170 A CB -0.339 18.610 19.000 -0.085 0.000 0.822 170 A HN 0.910 nan 8.150 nan 0.000 0.447 171 D N -0.456 119.946 120.400 0.003 0.000 2.144 171 D HA -0.108 4.531 4.640 -0.001 0.000 0.207 171 D C 1.748 178.097 176.300 0.081 0.000 0.970 171 D CA 1.238 55.262 54.000 0.040 0.000 0.853 171 D CB -0.710 40.095 40.800 0.007 0.000 1.007 171 D HN 0.662 nan 8.370 nan 0.000 0.469 172 E N 0.212 120.445 120.200 0.055 0.000 2.077 172 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 172 E C 0.157 176.870 176.600 0.189 0.000 0.989 172 E CA 0.216 56.666 56.400 0.082 0.000 0.800 172 E CB -0.246 29.479 29.700 0.041 0.000 0.746 172 E HN 0.151 nan 8.360 nan 0.000 0.452 173 F N -0.212 119.736 119.950 -0.002 0.000 3.006 173 F HA -0.209 4.318 4.527 -0.001 0.000 0.318 173 F C -0.591 175.231 175.800 0.037 0.000 0.936 173 F CA 0.204 58.216 58.000 0.020 0.000 1.151 173 F CB -0.753 38.268 39.000 0.034 0.000 1.212 173 F HN -0.068 nan 8.300 nan 0.000 0.687 174 V N -0.571 119.317 119.914 -0.044 0.000 2.823 174 V HA 0.864 4.983 4.120 -0.001 0.000 0.312 174 V C -2.539 173.519 176.094 -0.059 0.000 1.072 174 V CA -2.430 59.867 62.300 -0.006 0.000 0.937 174 V CB 2.114 33.961 31.823 0.040 0.000 1.013 174 V HN -0.018 nan 8.190 nan 0.000 0.430 175 P HA 0.083 nan 4.420 nan 0.000 0.268 175 P C -0.207 177.084 177.300 -0.014 0.000 1.204 175 P CA 0.169 63.230 63.100 -0.065 0.000 0.768 175 P CB 0.404 32.049 31.700 -0.091 0.000 0.842 176 W N 6.442 127.583 121.300 -0.265 0.000 2.358 176 W HA -0.047 4.613 4.660 -0.001 0.000 0.303 176 W C -1.152 175.186 176.519 -0.301 0.000 1.208 176 W CA 1.231 58.425 57.345 -0.252 0.000 1.274 176 W CB -2.393 26.917 29.460 -0.251 0.000 1.138 176 W HN 0.487 nan 8.180 nan 0.000 0.515 177 P HA -0.157 nan 4.420 nan 0.000 0.218 177 P C 1.859 179.035 177.300 -0.206 0.000 1.146 177 P CA 2.514 65.343 63.100 -0.452 0.000 0.813 177 P CB -0.149 31.078 31.700 -0.789 0.000 0.778 178 S N -0.658 114.967 115.700 -0.124 0.000 2.402 178 S HA -0.078 4.392 4.470 -0.001 0.000 0.229 178 S C 1.525 176.111 174.600 -0.023 0.000 1.021 178 S CA 1.041 59.213 58.200 -0.046 0.000 0.974 178 S CB -0.513 62.679 63.200 -0.013 0.000 0.800 178 S HN 0.315 nan 8.310 nan 0.000 0.484 179 K N 0.296 120.694 120.400 -0.004 0.000 2.487 179 K HA 0.137 4.457 4.320 -0.001 0.000 0.192 179 K C 1.224 177.794 176.600 -0.050 0.000 1.027 179 K CA 0.548 56.847 56.287 0.019 0.000 1.054 179 K CB 0.161 32.740 32.500 0.132 0.000 0.824 179 K HN 0.457 nan 8.250 nan 0.000 0.510 180 G N 1.966 110.698 108.800 -0.114 0.000 2.184 180 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.206 180 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.206 180 G C 0.064 174.807 174.900 -0.260 0.000 0.995 180 G CA -0.303 44.711 45.100 -0.144 0.000 0.651 180 G HN 0.128 nan 8.290 nan 0.000 0.511 181 K N 2.405 122.534 120.400 -0.453 0.000 2.155 181 K HA 0.509 4.828 4.320 -0.001 0.000 0.240 181 K C 1.646 177.915 176.600 -0.552 0.000 1.193 181 K CA 0.571 56.425 56.287 -0.721 0.000 1.104 181 K CB -0.345 31.178 32.500 -1.628 0.000 1.558 181 K HN 0.366 nan 8.250 nan 0.000 0.313 182 T N -1.622 112.757 114.554 -0.291 0.000 3.037 182 T HA 0.016 4.365 4.350 -0.001 0.000 0.251 182 T C 0.564 175.321 174.700 0.095 0.000 1.079 182 T CA -0.199 61.859 62.100 -0.069 0.000 1.067 182 T CB -0.324 68.545 68.868 0.002 0.000 0.948 182 T HN 0.521 nan 8.240 nan 0.000 0.496 183 D N 1.585 121.962 120.400 -0.037 0.000 2.380 183 D HA 0.102 4.742 4.640 -0.001 0.000 0.254 183 D C 0.882 177.249 176.300 0.112 0.000 1.288 183 D CA -0.605 53.410 54.000 0.025 0.000 1.008 183 D CB 1.295 42.073 40.800 -0.036 0.000 1.099 183 D HN -0.005 nan 8.370 nan 0.000 0.537 184 K N -0.600 119.883 120.400 0.138 0.000 2.103 184 K HA -0.144 4.175 4.320 -0.001 0.000 0.207 184 K C 1.687 178.462 176.600 0.292 0.000 1.048 184 K CA 1.158 57.600 56.287 0.258 0.000 0.930 184 K CB 0.036 32.723 32.500 0.312 0.000 0.716 184 K HN 0.383 nan 8.250 nan 0.000 0.444 185 E N -0.356 119.925 120.200 0.136 0.000 2.472 185 E HA -0.087 4.263 4.350 -0.001 0.000 0.200 185 E C 1.710 178.342 176.600 0.054 0.000 1.046 185 E CA 0.606 57.081 56.400 0.124 0.000 0.871 185 E CB -0.001 29.733 29.700 0.056 0.000 0.806 185 E HN 0.429 nan 8.360 nan 0.000 0.533 186 G N -0.519 108.175 108.800 -0.177 0.000 2.813 186 G HA2 0.016 3.976 3.960 -0.001 0.000 0.209 186 G HA3 0.016 3.976 3.960 -0.001 0.000 0.209 186 G C -0.017 174.596 174.900 -0.479 0.000 1.150 186 G CA -0.166 44.655 45.100 -0.465 0.000 0.785 186 G HN 0.048 nan 8.290 nan 0.000 0.535 187 W N -1.155 120.192 121.300 0.080 0.000 3.017 187 W HA 0.682 5.341 4.660 -0.001 0.000 0.341 187 W C -0.759 175.994 176.519 0.390 0.000 1.180 187 W CA -1.419 55.950 57.345 0.041 0.000 1.097 187 W CB 1.126 30.310 29.460 -0.461 0.000 1.468 187 W HN 0.088 nan 8.180 nan 0.000 0.584 188 Y N -1.618 119.006 120.300 0.540 0.000 2.592 188 Y HA 0.646 5.195 4.550 -0.001 0.000 0.334 188 Y C -3.147 173.007 175.900 0.423 0.000 1.136 188 Y CA -3.262 55.134 58.100 0.494 0.000 1.042 188 Y CB 1.162 39.776 38.460 0.256 0.000 1.325 188 Y HN 0.049 nan 8.280 nan 0.000 0.457 189 P HA 0.258 nan 4.420 nan 0.000 0.287 189 P C -2.521 174.776 177.300 -0.005 0.000 1.281 189 P CA -1.929 61.136 63.100 -0.058 0.000 0.781 189 P CB 1.128 32.770 31.700 -0.097 0.000 0.903 190 P HA 0.130 nan 4.420 nan 0.000 0.246 190 P C 0.493 177.831 177.300 0.064 0.000 1.686 190 P CA 0.496 63.637 63.100 0.069 0.000 0.867 190 P CB -0.537 31.037 31.700 -0.210 0.000 1.733 191 G N 2.148 110.958 108.800 0.017 0.000 2.746 191 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.685 191 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.685 191 G C 0.314 175.159 174.900 -0.092 0.000 1.350 191 G CA -0.124 44.919 45.100 -0.096 0.000 0.837 191 G HN 0.492 nan 8.290 nan 0.000 0.564 192 H N -0.646 118.433 119.070 0.014 0.000 2.555 192 H HA 0.274 4.830 4.556 -0.001 0.000 0.269 192 H C 2.452 177.777 175.328 -0.005 0.000 0.988 192 H CA 1.581 57.612 56.048 -0.028 0.000 1.178 192 H CB -0.562 29.169 29.762 -0.053 0.000 1.373 192 H HN 0.996 nan 8.280 nan 0.000 0.588 193 G N 0.855 109.796 108.800 0.235 0.000 2.485 193 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.221 193 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.221 193 G C 1.363 176.410 174.900 0.246 0.000 1.115 193 G CA 1.088 46.371 45.100 0.305 0.000 0.751 193 G HN 0.543 nan 8.290 nan 0.000 0.567 194 D N -0.419 120.056 120.400 0.124 0.000 2.350 194 D HA -0.048 4.592 4.640 -0.001 0.000 0.216 194 D C 2.291 178.625 176.300 0.058 0.000 0.968 194 D CA 0.525 54.574 54.000 0.081 0.000 0.894 194 D CB -0.042 40.738 40.800 -0.034 0.000 0.909 194 D HN 0.081 nan 8.370 nan 0.000 0.520 195 V N -0.334 119.549 119.914 -0.052 0.000 2.380 195 V HA -0.272 3.848 4.120 -0.001 0.000 0.251 195 V C 1.662 177.670 176.094 -0.143 0.000 1.063 195 V CA 1.718 63.932 62.300 -0.145 0.000 1.055 195 V CB -0.535 31.062 31.823 -0.376 0.000 0.657 195 V HN 0.167 nan 8.190 nan 0.000 0.455 196 F N 1.145 121.190 119.950 0.159 0.000 2.060 196 F HA 0.032 4.558 4.527 -0.001 0.000 0.295 196 F C 0.330 176.182 175.800 0.088 0.000 1.120 196 F CA 1.805 59.890 58.000 0.141 0.000 1.205 196 F CB -2.461 36.658 39.000 0.198 0.000 0.986 196 F HN 0.263 nan 8.300 nan 0.000 0.470 197 P HA -0.112 nan 4.420 nan 0.000 0.218 197 P C 1.350 178.697 177.300 0.078 0.000 1.149 197 P CA 2.087 65.275 63.100 0.147 0.000 0.817 197 P CB -0.202 31.588 31.700 0.150 0.000 0.785 198 A N 0.010 122.883 122.820 0.088 0.000 1.930 198 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 198 A C 2.218 179.697 177.584 -0.176 0.000 1.175 198 A CA 1.265 53.346 52.037 0.074 0.000 0.627 198 A CB -1.616 17.543 19.000 0.265 0.000 0.815 198 A HN 0.147 nan 8.150 nan 0.000 0.443 199 L N -1.151 119.931 121.223 -0.235 0.000 2.046 199 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 199 L C 2.413 179.091 176.870 -0.319 0.000 1.077 199 L CA 2.618 57.136 54.840 -0.536 0.000 0.747 199 L CB -0.553 41.387 42.059 -0.198 0.000 0.896 199 L HN 0.474 nan 8.230 nan 0.000 0.432 200 M N -0.265 119.263 119.600 -0.120 0.000 2.077 200 M HA -0.169 4.310 4.480 -0.001 0.000 0.261 200 M C 1.895 178.140 176.300 -0.092 0.000 1.070 200 M CA 1.728 56.986 55.300 -0.071 0.000 1.125 200 M CB -0.651 31.951 32.600 0.004 0.000 1.339 200 M HN 0.277 nan 8.290 nan 0.000 0.409 201 N N 0.026 118.684 118.700 -0.069 0.000 2.289 201 N HA -0.116 4.623 4.740 -0.001 0.000 0.184 201 N C 1.726 177.189 175.510 -0.079 0.000 1.016 201 N CA 1.609 54.630 53.050 -0.048 0.000 0.872 201 N CB -0.778 37.705 38.487 -0.006 0.000 0.973 201 N HN 0.640 nan 8.380 nan 0.000 0.433 202 S N -0.787 114.818 115.700 -0.159 0.000 2.515 202 S HA 0.099 4.569 4.470 -0.001 0.000 0.231 202 S C 1.594 176.106 174.600 -0.147 0.000 0.987 202 S CA 0.950 59.053 58.200 -0.162 0.000 0.936 202 S CB -0.184 62.808 63.200 -0.345 0.000 0.766 202 S HN 0.453 nan 8.310 nan 0.000 0.528 203 G N 1.253 109.957 108.800 -0.159 0.000 2.176 203 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.253 203 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.253 203 G C 0.987 175.760 174.900 -0.211 0.000 0.979 203 G CA 0.472 45.487 45.100 -0.142 0.000 0.641 203 G HN 0.429 nan 8.290 nan 0.000 0.530 204 K N -0.306 119.918 120.400 -0.293 0.000 2.116 204 K HA 0.220 4.540 4.320 -0.001 0.000 0.203 204 K C 2.423 178.806 176.600 -0.362 0.000 1.052 204 K CA 1.220 57.252 56.287 -0.426 0.000 0.952 204 K CB -0.483 31.790 32.500 -0.378 0.000 0.729 204 K HN 0.488 nan 8.250 nan 0.000 0.446 205 L N 2.222 123.340 121.223 -0.175 0.000 2.042 205 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 205 L C 1.447 178.293 176.870 -0.041 0.000 1.076 205 L CA 1.991 56.816 54.840 -0.024 0.000 0.749 205 L CB -0.583 41.469 42.059 -0.013 0.000 0.893 205 L HN 0.092 nan 8.230 nan 0.000 0.432 206 D N -1.419 118.925 120.400 -0.095 0.000 2.149 206 D HA -0.120 4.520 4.640 -0.001 0.000 0.201 206 D C 2.031 178.269 176.300 -0.102 0.000 0.972 206 D CA 1.542 55.500 54.000 -0.070 0.000 0.835 206 D CB -0.005 40.755 40.800 -0.066 0.000 0.966 206 D HN 0.369 nan 8.370 nan 0.000 0.476 207 T N 0.697 115.118 114.554 -0.221 0.000 2.652 207 T HA -0.149 4.200 4.350 -0.001 0.000 0.267 207 T C 1.716 176.278 174.700 -0.230 0.000 1.039 207 T CA 0.916 62.841 62.100 -0.292 0.000 1.153 207 T CB -0.360 68.212 68.868 -0.494 0.000 0.863 207 T HN 0.072 nan 8.240 nan 0.000 0.428 208 F N 1.001 120.911 119.950 -0.065 0.000 2.234 208 F HA 0.144 4.671 4.527 -0.001 0.000 0.299 208 F C 2.132 177.919 175.800 -0.021 0.000 1.087 208 F CA 0.108 58.077 58.000 -0.051 0.000 1.340 208 F CB -0.998 37.958 39.000 -0.073 0.000 1.031 208 F HN 0.092 nan 8.300 nan 0.000 0.500 209 L N -0.946 120.359 121.223 0.137 0.000 2.046 209 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 209 L C 2.461 179.366 176.870 0.058 0.000 1.077 209 L CA 1.329 56.217 54.840 0.079 0.000 0.747 209 L CB -0.761 41.324 42.059 0.044 0.000 0.896 209 L HN 0.057 nan 8.230 nan 0.000 0.432 210 S N -0.810 114.912 115.700 0.036 0.000 2.402 210 S HA -0.203 4.267 4.470 -0.001 0.000 0.229 210 S C 1.747 176.376 174.600 0.049 0.000 1.021 210 S CA 1.040 59.257 58.200 0.027 0.000 0.974 210 S CB -0.154 63.048 63.200 0.004 0.000 0.800 210 S HN 0.470 nan 8.310 nan 0.000 0.484 211 Q N -0.106 119.742 119.800 0.080 0.000 2.482 211 Q HA 0.185 4.525 4.340 -0.001 0.000 0.209 211 Q C 1.279 177.337 176.000 0.096 0.000 0.961 211 Q CA 0.363 56.227 55.803 0.102 0.000 0.945 211 Q CB 0.112 28.948 28.738 0.163 0.000 1.012 211 Q HN 0.631 nan 8.270 nan 0.000 0.515 212 G N 1.015 109.866 108.800 0.084 0.000 2.141 212 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.242 212 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.242 212 G C -0.135 174.813 174.900 0.080 0.000 0.982 212 G CA -0.230 44.913 45.100 0.071 0.000 0.662 212 G HN 0.038 nan 8.290 nan 0.000 0.527 213 K N 0.421 120.881 120.400 0.100 0.000 2.295 213 K HA 0.449 4.769 4.320 -0.001 0.000 0.270 213 K C 1.066 177.707 176.600 0.068 0.000 1.011 213 K CA -0.051 56.288 56.287 0.086 0.000 0.953 213 K CB 1.078 33.621 32.500 0.072 0.000 0.956 213 K HN 0.520 nan 8.250 nan 0.000 0.477 214 E N 0.347 120.595 120.200 0.079 0.000 2.421 214 E HA 0.081 4.430 4.350 -0.001 0.000 0.209 214 E C -0.446 176.043 176.600 -0.185 0.000 0.871 214 E CA 0.196 56.595 56.400 -0.002 0.000 1.064 214 E CB 0.524 30.291 29.700 0.111 0.000 1.075 214 E HN 0.408 nan 8.360 nan 0.000 0.513 215 Y N -0.273 120.077 120.300 0.084 0.000 2.512 215 Y HA 0.441 4.990 4.550 -0.001 0.000 0.348 215 Y C -0.720 175.217 175.900 0.062 0.000 0.990 215 Y CA -1.026 57.142 58.100 0.113 0.000 1.033 215 Y CB 2.139 40.713 38.460 0.189 0.000 1.259 215 Y HN -0.251 nan 8.280 nan 0.000 0.461 216 V N 4.376 124.405 119.914 0.191 0.000 2.555 216 V HA 0.525 4.644 4.120 -0.001 0.000 0.302 216 V C -1.603 174.508 176.094 0.029 0.000 1.038 216 V CA -0.779 61.551 62.300 0.050 0.000 0.887 216 V CB 1.354 33.166 31.823 -0.017 0.000 0.991 216 V HN 0.578 nan 8.190 nan 0.000 0.434 217 F N 7.261 127.001 119.950 -0.350 0.000 2.385 217 F HA 0.704 5.230 4.527 -0.001 0.000 0.360 217 F C -0.549 174.944 175.800 -0.513 0.000 1.122 217 F CA -0.773 56.764 58.000 -0.770 0.000 1.090 217 F CB 1.384 39.645 39.000 -1.232 0.000 1.150 217 F HN 0.300 nan 8.300 nan 0.000 0.472 218 V N 6.239 125.701 119.914 -0.753 0.000 2.435 218 V HA 0.887 5.007 4.120 -0.001 0.000 0.290 218 V C -0.110 175.494 176.094 -0.817 0.000 1.030 218 V CA -0.268 61.645 62.300 -0.645 0.000 0.881 218 V CB 0.741 32.326 31.823 -0.396 0.000 0.983 218 V HN 1.073 nan 8.190 nan 0.000 0.445 219 A N 3.922 126.317 122.820 -0.708 0.000 2.606 219 A HA 0.646 4.966 4.320 -0.001 0.000 0.293 219 A C -0.674 176.698 177.584 -0.354 0.000 1.082 219 A CA -0.923 50.793 52.037 -0.534 0.000 0.685 219 A CB 1.056 19.671 19.000 -0.641 0.000 1.284 219 A HN 0.774 nan 8.150 nan 0.000 0.408 220 N N 0.565 119.113 118.700 -0.252 0.000 2.454 220 N HA 0.192 4.931 4.740 -0.001 0.000 0.254 220 N C 1.464 176.844 175.510 -0.217 0.000 1.228 220 N CA 0.637 53.563 53.050 -0.208 0.000 0.900 220 N CB 0.828 39.222 38.487 -0.154 0.000 1.089 220 N HN 0.716 nan 8.380 nan 0.000 0.449 221 S N 0.461 116.025 115.700 -0.227 0.000 2.469 221 S HA -0.175 4.295 4.470 -0.001 0.000 0.238 221 S C 0.814 175.231 174.600 -0.304 0.000 0.998 221 S CA 1.141 59.210 58.200 -0.217 0.000 0.957 221 S CB -0.173 62.906 63.200 -0.203 0.000 0.764 221 S HN 0.766 nan 8.310 nan 0.000 0.514 222 D N 0.281 120.423 120.400 -0.430 0.000 2.363 222 D HA 0.130 4.769 4.640 -0.001 0.000 0.214 222 D C 0.033 176.191 176.300 -0.236 0.000 1.093 222 D CA -0.439 53.159 54.000 -0.671 0.000 0.837 222 D CB -0.709 39.607 40.800 -0.807 0.000 0.948 222 D HN 0.323 nan 8.370 nan 0.000 0.507 223 N N 1.266 119.875 118.700 -0.151 0.000 2.469 223 N HA 0.108 4.848 4.740 -0.001 0.000 0.239 223 N C 0.612 176.116 175.510 -0.010 0.000 1.053 223 N CA -0.282 52.708 53.050 -0.101 0.000 0.937 223 N CB 0.598 39.030 38.487 -0.092 0.000 1.163 223 N HN 0.080 nan 8.380 nan 0.000 0.509 224 L N 1.861 123.091 121.223 0.012 0.000 2.551 224 L HA 0.135 4.474 4.340 -0.001 0.000 0.228 224 L C 1.870 178.765 176.870 0.042 0.000 1.153 224 L CA 0.613 55.479 54.840 0.044 0.000 0.851 224 L CB 0.004 42.050 42.059 -0.022 0.000 0.959 224 L HN 0.593 nan 8.230 nan 0.000 0.451 225 G N -0.421 108.393 108.800 0.024 0.000 2.939 225 G HA2 0.149 4.109 3.960 -0.001 0.000 0.210 225 G HA3 0.149 4.109 3.960 -0.001 0.000 0.210 225 G C 0.874 175.838 174.900 0.106 0.000 1.160 225 G CA 0.340 45.472 45.100 0.054 0.000 0.770 225 G HN 0.315 nan 8.290 nan 0.000 0.543 226 A N 1.392 124.292 122.820 0.133 0.000 3.037 226 A HA 0.561 4.881 4.320 -0.001 0.000 0.272 226 A C 0.438 178.237 177.584 0.358 0.000 1.723 226 A CA -0.473 51.721 52.037 0.263 0.000 1.413 226 A CB -1.062 17.999 19.000 0.101 0.000 1.112 226 A HN 0.583 nan 8.150 nan 0.000 0.606 227 I N -1.200 119.534 120.570 0.274 0.000 2.577 227 I HA 0.586 4.755 4.170 -0.001 0.000 0.305 227 I C -0.036 176.166 176.117 0.141 0.000 0.986 227 I CA -1.089 60.359 61.300 0.246 0.000 1.189 227 I CB 1.533 39.603 38.000 0.117 0.000 1.355 227 I HN -0.031 nan 8.210 nan 0.000 0.476 228 V N 3.926 123.920 119.914 0.132 0.000 2.584 228 V HA -0.072 4.048 4.120 -0.001 0.000 0.303 228 V C 0.200 176.305 176.094 0.019 0.000 1.035 228 V CA 0.758 63.046 62.300 -0.020 0.000 1.172 228 V CB -0.154 31.721 31.823 0.087 0.000 0.896 228 V HN 0.798 nan 8.190 nan 0.000 0.486 229 D N 4.833 125.262 120.400 0.049 0.000 2.481 229 D HA 0.267 4.906 4.640 -0.001 0.000 0.246 229 D C 0.542 176.756 176.300 -0.143 0.000 1.109 229 D CA -0.532 53.454 54.000 -0.022 0.000 0.845 229 D CB 1.780 42.574 40.800 -0.009 0.000 1.160 229 D HN 0.381 nan 8.370 nan 0.000 0.534 230 L N 2.566 123.721 121.223 -0.112 0.000 2.341 230 L HA -0.052 4.288 4.340 -0.001 0.000 0.214 230 L C 2.109 178.852 176.870 -0.212 0.000 1.115 230 L CA 0.591 55.332 54.840 -0.165 0.000 0.820 230 L CB -0.145 41.836 42.059 -0.131 0.000 0.944 230 L HN 0.422 nan 8.230 nan 0.000 0.452 231 T N 0.706 115.153 114.554 -0.179 0.000 2.684 231 T HA -0.202 4.148 4.350 -0.001 0.000 0.267 231 T C 1.950 176.465 174.700 -0.308 0.000 1.036 231 T CA 1.442 63.398 62.100 -0.240 0.000 1.148 231 T CB -0.152 68.525 68.868 -0.319 0.000 0.863 231 T HN 0.181 nan 8.240 nan 0.000 0.436 232 I N 0.502 120.845 120.570 -0.378 0.000 2.163 232 I HA -0.156 4.014 4.170 -0.001 0.000 0.243 232 I C 2.339 178.027 176.117 -0.714 0.000 1.085 232 I CA 0.964 61.903 61.300 -0.602 0.000 1.347 232 I CB -0.352 37.094 38.000 -0.924 0.000 1.044 232 I HN 0.165 nan 8.210 nan 0.000 0.408 233 L N 1.252 121.991 121.223 -0.806 0.000 2.056 233 L HA -0.214 4.126 4.340 -0.001 0.000 0.207 233 L C 2.474 179.102 176.870 -0.404 0.000 1.078 233 L CA 1.884 56.331 54.840 -0.655 0.000 0.749 233 L CB -0.753 41.056 42.059 -0.416 0.000 0.901 233 L HN 0.124 nan 8.230 nan 0.000 0.433 234 K N -1.453 118.770 120.400 -0.295 0.000 2.074 234 K HA -0.328 3.991 4.320 -0.001 0.000 0.209 234 K C 2.273 178.757 176.600 -0.194 0.000 1.048 234 K CA 2.030 58.192 56.287 -0.207 0.000 0.926 234 K CB -0.405 31.994 32.500 -0.169 0.000 0.713 234 K HN 0.604 nan 8.250 nan 0.000 0.444 235 H N 0.307 119.202 119.070 -0.290 0.000 2.387 235 H HA -0.046 4.510 4.556 -0.001 0.000 0.299 235 H C 1.863 177.058 175.328 -0.220 0.000 1.090 235 H CA 2.013 57.918 56.048 -0.239 0.000 1.332 235 H CB 0.025 29.637 29.762 -0.250 0.000 1.386 235 H HN 0.163 nan 8.280 nan 0.000 0.516 236 L N -0.328 120.776 121.223 -0.199 0.000 2.056 236 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 236 L C 2.402 179.165 176.870 -0.180 0.000 1.078 236 L CA 1.195 55.896 54.840 -0.232 0.000 0.749 236 L CB -0.417 41.296 42.059 -0.575 0.000 0.901 236 L HN 0.340 nan 8.230 nan 0.000 0.433 237 I N -0.346 120.094 120.570 -0.217 0.000 2.179 237 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 237 I C 2.649 178.722 176.117 -0.074 0.000 1.088 237 I CA 1.406 62.663 61.300 -0.070 0.000 1.357 237 I CB -0.297 37.661 38.000 -0.070 0.000 1.051 237 I HN 0.335 nan 8.210 nan 0.000 0.409 238 Q N 0.221 119.932 119.800 -0.150 0.000 2.291 238 Q HA -0.094 4.246 4.340 -0.001 0.000 0.205 238 Q C 1.243 177.141 176.000 -0.171 0.000 0.970 238 Q CA 0.934 56.642 55.803 -0.159 0.000 0.876 238 Q CB 0.032 28.644 28.738 -0.210 0.000 0.935 238 Q HN 0.581 nan 8.270 nan 0.000 0.455 239 N N -0.201 118.375 118.700 -0.207 0.000 2.171 239 N HA 0.041 4.781 4.740 -0.001 0.000 0.212 239 N C -0.432 175.054 175.510 -0.040 0.000 1.184 239 N CA 0.017 52.968 53.050 -0.167 0.000 0.888 239 N CB 0.767 39.075 38.487 -0.298 0.000 1.038 239 N HN 0.058 nan 8.380 nan 0.000 0.517 240 K N 1.458 121.866 120.400 0.013 0.000 3.125 240 K HA -0.145 4.175 4.320 -0.001 0.000 0.268 240 K C -1.234 175.454 176.600 0.147 0.000 1.078 240 K CA 0.192 56.539 56.287 0.100 0.000 0.775 240 K CB -1.660 30.881 32.500 0.069 0.000 1.253 240 K HN 0.357 nan 8.250 nan 0.000 0.486 241 N N 1.011 119.810 118.700 0.165 0.000 2.497 241 N HA 0.028 4.768 4.740 -0.001 0.000 0.271 241 N C 0.634 176.346 175.510 0.337 0.000 1.142 241 N CA -0.225 52.954 53.050 0.215 0.000 0.965 241 N CB 0.798 39.397 38.487 0.188 0.000 1.077 241 N HN 0.207 nan 8.380 nan 0.000 0.462 242 E N 0.968 121.366 120.200 0.330 0.000 2.435 242 E HA -0.054 4.296 4.350 -0.001 0.000 0.195 242 E C -0.682 176.148 176.600 0.384 0.000 1.029 242 E CA 0.557 57.193 56.400 0.392 0.000 0.865 242 E CB 0.289 30.268 29.700 0.465 0.000 0.833 242 E HN 0.584 nan 8.360 nan 0.000 0.510 243 Y N -0.587 119.813 120.300 0.167 0.000 2.424 243 Y HA 0.256 4.805 4.550 -0.001 0.000 0.323 243 Y C -1.813 174.140 175.900 0.089 0.000 1.174 243 Y CA -1.186 56.913 58.100 -0.001 0.000 1.060 243 Y CB 1.629 39.893 38.460 -0.327 0.000 1.314 243 Y HN -0.057 nan 8.280 nan 0.000 0.439 244 C N 8.756 128.212 119.300 0.260 0.000 2.505 244 C HA 0.605 5.064 4.460 -0.001 0.000 0.342 244 C C -0.975 174.200 174.990 0.308 0.000 1.121 244 C CA -0.706 58.475 59.018 0.272 0.000 1.306 244 C CB 0.332 28.135 27.740 0.104 0.000 1.897 244 C HN 0.967 nan 8.230 nan 0.000 0.446 245 M N 5.208 125.016 119.600 0.347 0.000 2.144 245 M HA 0.418 4.898 4.480 -0.001 0.000 0.356 245 M C -0.021 176.390 176.300 0.184 0.000 1.217 245 M CA 0.282 55.760 55.300 0.296 0.000 1.087 245 M CB 0.726 33.501 32.600 0.291 0.000 1.609 245 M HN 0.736 nan 8.290 nan 0.000 0.467 246 E N 4.189 124.507 120.200 0.195 0.000 2.257 246 E HA 0.314 4.663 4.350 -0.001 0.000 0.278 246 E C -0.563 176.024 176.600 -0.021 0.000 1.049 246 E CA -0.432 56.030 56.400 0.104 0.000 0.876 246 E CB 1.001 30.806 29.700 0.176 0.000 1.035 246 E HN 0.592 nan 8.360 nan 0.000 0.419 247 V N 0.377 120.233 119.914 -0.096 0.000 3.103 247 V HA 0.786 4.905 4.120 -0.001 0.000 0.318 247 V C -0.097 175.799 176.094 -0.330 0.000 1.114 247 V CA -0.606 61.550 62.300 -0.240 0.000 1.020 247 V CB 2.051 33.787 31.823 -0.145 0.000 1.085 247 V HN 0.594 nan 8.190 nan 0.000 0.446 248 T N 1.291 115.500 114.554 -0.574 0.000 2.883 248 T HA 0.653 5.003 4.350 -0.001 0.000 0.301 248 T C -3.132 171.373 174.700 -0.326 0.000 1.158 248 T CA -1.549 60.289 62.100 -0.437 0.000 1.007 248 T CB 2.225 70.813 68.868 -0.467 0.000 1.186 248 T HN 0.757 nan 8.240 nan 0.000 0.499 249 P HA 0.220 nan 4.420 nan 0.000 0.268 249 P C -0.820 176.586 177.300 0.176 0.000 1.204 249 P CA -0.152 62.960 63.100 0.020 0.000 0.768 249 P CB 0.246 31.960 31.700 0.024 0.000 0.842 250 K N 1.999 122.530 120.400 0.218 0.000 2.412 250 K HA 0.171 4.491 4.320 -0.001 0.000 0.284 250 K C 0.927 177.598 176.600 0.119 0.000 1.046 250 K CA 0.149 56.577 56.287 0.235 0.000 0.999 250 K CB 0.127 32.710 32.500 0.138 0.000 0.941 250 K HN 0.536 nan 8.250 nan 0.000 0.474 251 T N -0.435 114.178 114.554 0.098 0.000 2.884 251 T HA 0.233 4.583 4.350 -0.001 0.000 0.277 251 T C 1.476 176.186 174.700 0.017 0.000 0.976 251 T CA -0.841 61.293 62.100 0.056 0.000 0.956 251 T CB 0.544 69.452 68.868 0.066 0.000 1.113 251 T HN 0.460 nan 8.240 nan 0.000 0.554 252 L N 0.398 121.631 121.223 0.016 0.000 2.353 252 L HA 0.017 4.357 4.340 -0.001 0.000 0.220 252 L C 2.933 179.796 176.870 -0.011 0.000 1.133 252 L CA 1.179 56.022 54.840 0.005 0.000 0.798 252 L CB -0.759 41.308 42.059 0.013 0.000 0.922 252 L HN 0.927 nan 8.230 nan 0.000 0.445 253 A N -0.996 121.815 122.820 -0.015 0.000 2.168 253 A HA -0.117 4.203 4.320 -0.001 0.000 0.215 253 A C 1.275 178.797 177.584 -0.103 0.000 1.152 253 A CA 1.172 53.190 52.037 -0.032 0.000 0.716 253 A CB -0.156 18.842 19.000 -0.004 0.000 0.794 253 A HN 0.366 nan 8.150 nan 0.000 0.465 254 D N -0.999 119.305 120.400 -0.159 0.000 2.501 254 D HA 0.160 4.800 4.640 -0.001 0.000 0.224 254 D C 1.310 177.464 176.300 -0.243 0.000 1.202 254 D CA -0.032 53.747 54.000 -0.369 0.000 0.829 254 D CB 0.541 40.948 40.800 -0.656 0.000 1.023 254 D HN 0.128 nan 8.370 nan 0.000 0.499 255 V N 1.251 121.101 119.914 -0.105 0.000 2.380 255 V HA -0.241 3.879 4.120 -0.001 0.000 0.251 255 V C 2.041 178.137 176.094 0.004 0.000 1.063 255 V CA 1.697 63.971 62.300 -0.043 0.000 1.055 255 V CB -0.259 31.564 31.823 0.001 0.000 0.657 255 V HN 0.190 nan 8.190 nan 0.000 0.455 256 K N 0.335 120.756 120.400 0.036 0.000 2.458 256 K HA 0.158 4.478 4.320 -0.001 0.000 0.194 256 K C 0.993 177.699 176.600 0.177 0.000 1.024 256 K CA 0.227 56.614 56.287 0.167 0.000 1.108 256 K CB 0.030 32.592 32.500 0.103 0.000 0.846 256 K HN 0.503 nan 8.250 nan 0.000 0.518 257 G N 1.160 109.967 108.800 0.012 0.000 2.441 257 G HA2 0.239 4.199 3.960 -0.001 0.000 0.243 257 G HA3 0.239 4.199 3.960 -0.001 0.000 0.243 257 G C 0.208 175.227 174.900 0.199 0.000 1.281 257 G CA -0.470 44.636 45.100 0.011 0.000 0.854 257 G HN 0.177 nan 8.290 nan 0.000 0.560 258 G N -0.045 108.896 108.800 0.236 0.000 2.380 258 G HA2 0.422 4.381 3.960 -0.001 0.000 0.242 258 G HA3 0.422 4.381 3.960 -0.001 0.000 0.242 258 G C 0.136 175.161 174.900 0.208 0.000 1.298 258 G CA 0.458 45.716 45.100 0.263 0.000 0.878 258 G HN 0.738 nan 8.290 nan 0.000 0.542 259 T N 1.055 115.712 114.554 0.172 0.000 2.907 259 T HA 0.610 4.960 4.350 -0.001 0.000 0.290 259 T C -0.297 174.459 174.700 0.094 0.000 1.066 259 T CA -0.716 61.440 62.100 0.093 0.000 1.012 259 T CB 0.918 69.772 68.868 -0.023 0.000 1.184 259 T HN 0.312 nan 8.240 nan 0.000 0.522 260 L N 3.674 124.948 121.223 0.085 0.000 2.309 260 L HA 0.695 5.034 4.340 -0.001 0.000 0.282 260 L C -0.064 176.861 176.870 0.091 0.000 1.036 260 L CA -0.913 53.968 54.840 0.069 0.000 0.806 260 L CB 1.404 43.491 42.059 0.047 0.000 1.220 260 L HN 0.626 nan 8.230 nan 0.000 0.429 261 I N -1.497 119.117 120.570 0.074 0.000 3.108 261 I HA 0.589 4.759 4.170 -0.001 0.000 0.312 261 I C -0.532 175.622 176.117 0.061 0.000 1.095 261 I CA -0.701 60.653 61.300 0.089 0.000 1.000 261 I CB 2.348 40.410 38.000 0.104 0.000 1.229 261 I HN 0.323 nan 8.210 nan 0.000 0.454 262 S N 1.750 117.484 115.700 0.057 0.000 2.480 262 S HA 0.555 5.024 4.470 -0.001 0.000 0.286 262 S C -1.275 173.392 174.600 0.111 0.000 1.180 262 S CA -0.275 57.957 58.200 0.053 0.000 1.075 262 S CB 0.587 63.794 63.200 0.011 0.000 0.996 262 S HN 0.554 nan 8.310 nan 0.000 0.487 263 Y N 1.361 121.630 120.300 -0.052 0.000 2.401 263 Y HA 0.261 4.810 4.550 -0.001 0.000 0.330 263 Y C -0.035 175.834 175.900 -0.053 0.000 1.071 263 Y CA -0.667 57.400 58.100 -0.056 0.000 1.049 263 Y CB 0.861 39.287 38.460 -0.057 0.000 1.239 263 Y HN 0.876 nan 8.280 nan 0.000 0.437 264 E N 3.993 123.976 120.200 -0.362 0.000 2.360 264 E HA -0.280 4.070 4.350 -0.001 0.000 0.238 264 E C 1.003 177.547 176.600 -0.092 0.000 1.186 264 E CA 1.073 57.331 56.400 -0.236 0.000 0.719 264 E CB -1.304 28.285 29.700 -0.185 0.000 1.236 264 E HN 1.273 nan 8.360 nan 0.000 0.386 265 G N -0.475 108.281 108.800 -0.073 0.000 2.162 265 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.260 265 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.260 265 G C 0.125 175.015 174.900 -0.017 0.000 0.976 265 G CA 0.840 45.916 45.100 -0.040 0.000 0.655 265 G HN 0.167 nan 8.290 nan 0.000 0.533 266 K N -0.190 120.207 120.400 -0.004 0.000 2.375 266 K HA 0.596 4.916 4.320 -0.001 0.000 0.249 266 K C -0.136 176.467 176.600 0.005 0.000 0.942 266 K CA -0.847 55.437 56.287 -0.005 0.000 0.806 266 K CB 2.805 35.287 32.500 -0.030 0.000 1.227 266 K HN 0.244 nan 8.250 nan 0.000 0.430 267 V N 3.243 123.155 119.914 -0.004 0.000 2.529 267 V HA 0.041 4.161 4.120 -0.001 0.000 0.292 267 V C -0.588 175.481 176.094 -0.042 0.000 1.028 267 V CA 0.770 63.066 62.300 -0.006 0.000 1.074 267 V CB 0.421 32.245 31.823 0.002 0.000 0.958 267 V HN 0.617 nan 8.190 nan 0.000 0.481 268 Q N 4.868 124.652 119.800 -0.027 0.000 2.389 268 Q HA 0.432 4.772 4.340 -0.001 0.000 0.277 268 Q C -1.433 174.549 176.000 -0.031 0.000 1.082 268 Q CA -1.027 54.739 55.803 -0.063 0.000 0.810 268 Q CB 2.768 31.463 28.738 -0.073 0.000 1.374 268 Q HN 0.691 nan 8.270 nan 0.000 0.422 269 L N 2.498 123.704 121.223 -0.029 0.000 2.331 269 L HA 0.415 4.755 4.340 -0.001 0.000 0.278 269 L C -1.404 175.475 176.870 0.015 0.000 1.106 269 L CA -0.243 54.611 54.840 0.024 0.000 0.824 269 L CB 0.727 42.818 42.059 0.053 0.000 1.142 269 L HN 0.552 nan 8.230 nan 0.000 0.443 270 L N 5.144 126.400 121.223 0.055 0.000 2.349 270 L HA 0.565 4.905 4.340 -0.001 0.000 0.278 270 L C -0.667 176.276 176.870 0.122 0.000 0.996 270 L CA -0.021 54.845 54.840 0.043 0.000 0.825 270 L CB 1.311 43.398 42.059 0.047 0.000 1.243 270 L HN 0.606 nan 8.230 nan 0.000 0.412 271 E N 4.000 124.193 120.200 -0.011 0.000 2.222 271 E HA 0.201 4.551 4.350 -0.001 0.000 0.272 271 E C 0.866 177.216 176.600 -0.417 0.000 0.982 271 E CA -0.413 55.945 56.400 -0.070 0.000 0.842 271 E CB 2.399 32.086 29.700 -0.021 0.000 1.144 271 E HN 0.792 nan 8.360 nan 0.000 0.397 272 I N 1.646 121.848 120.570 -0.613 0.000 2.423 272 I HA -0.282 3.888 4.170 -0.001 0.000 0.254 272 I C 1.894 177.776 176.117 -0.392 0.000 1.151 272 I CA 1.455 62.257 61.300 -0.830 0.000 1.421 272 I CB 0.106 37.783 38.000 -0.539 0.000 1.079 272 I HN 0.618 nan 8.210 nan 0.000 0.431 273 A N -0.449 122.239 122.820 -0.220 0.000 2.070 273 A HA -0.229 4.091 4.320 -0.001 0.000 0.220 273 A C 1.985 179.501 177.584 -0.113 0.000 1.159 273 A CA 1.489 53.451 52.037 -0.126 0.000 0.656 273 A CB -0.376 18.587 19.000 -0.062 0.000 0.800 273 A HN 0.544 nan 8.150 nan 0.000 0.453 274 Q N -0.984 118.730 119.800 -0.142 0.000 2.280 274 Q HA 0.261 4.601 4.340 -0.001 0.000 0.201 274 Q C -0.449 175.503 176.000 -0.081 0.000 0.890 274 Q CA 0.128 55.874 55.803 -0.096 0.000 0.947 274 Q CB 0.673 29.357 28.738 -0.090 0.000 1.081 274 Q HN 0.335 nan 8.270 nan 0.000 0.502 275 V N 3.005 122.832 119.914 -0.144 0.000 2.383 275 V HA 0.315 4.435 4.120 -0.001 0.000 0.275 275 V C -2.117 173.938 176.094 -0.066 0.000 1.036 275 V CA -2.068 60.184 62.300 -0.080 0.000 0.889 275 V CB 1.045 32.724 31.823 -0.239 0.000 0.985 275 V HN 0.116 nan 8.190 nan 0.000 0.459 276 P HA 0.105 nan 4.420 nan 0.000 0.267 276 P C 0.467 177.697 177.300 -0.117 0.000 1.200 276 P CA -0.105 62.971 63.100 -0.039 0.000 0.772 276 P CB 0.729 32.440 31.700 0.018 0.000 0.855 277 D N 1.679 122.009 120.400 -0.116 0.000 2.149 277 D HA -0.212 4.427 4.640 -0.001 0.000 0.194 277 D C 1.526 177.718 176.300 -0.181 0.000 1.001 277 D CA 1.631 55.557 54.000 -0.125 0.000 0.849 277 D CB -0.191 40.550 40.800 -0.099 0.000 0.939 277 D HN 0.641 nan 8.370 nan 0.000 0.449 278 E N -0.728 119.312 120.200 -0.268 0.000 2.333 278 E HA -0.164 4.186 4.350 -0.001 0.000 0.198 278 E C 1.075 177.323 176.600 -0.585 0.000 1.007 278 E CA 0.959 57.110 56.400 -0.415 0.000 0.845 278 E CB -0.200 29.196 29.700 -0.507 0.000 0.766 278 E HN 0.442 nan 8.360 nan 0.000 0.507 279 H N -0.470 118.368 119.070 -0.387 0.000 2.784 279 H HA 0.227 4.782 4.556 -0.001 0.000 0.273 279 H C 1.684 176.772 175.328 -0.401 0.000 1.112 279 H CA -0.143 55.502 56.048 -0.672 0.000 1.162 279 H CB 0.789 29.662 29.762 -1.480 0.000 1.586 279 H HN 0.032 nan 8.280 nan 0.000 0.548 280 V N 1.511 121.359 119.914 -0.109 0.000 2.343 280 V HA -0.294 3.826 4.120 -0.001 0.000 0.247 280 V C 1.682 177.852 176.094 0.126 0.000 1.051 280 V CA 2.008 64.317 62.300 0.016 0.000 1.036 280 V CB -0.228 31.579 31.823 -0.027 0.000 0.654 280 V HN 0.445 nan 8.190 nan 0.000 0.451 281 N N 0.500 119.238 118.700 0.064 0.000 2.104 281 N HA -0.203 4.536 4.740 -0.001 0.000 0.190 281 N C 1.735 177.349 175.510 0.174 0.000 1.024 281 N CA 1.663 54.771 53.050 0.096 0.000 0.853 281 N CB -0.385 38.131 38.487 0.048 0.000 1.008 281 N HN 0.585 nan 8.380 nan 0.000 0.424 282 E N -0.332 119.994 120.200 0.210 0.000 2.077 282 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 282 E C 1.538 178.495 176.600 0.596 0.000 0.989 282 E CA 0.740 57.368 56.400 0.381 0.000 0.800 282 E CB -0.242 29.735 29.700 0.460 0.000 0.746 282 E HN 0.338 nan 8.360 nan 0.000 0.452 283 F N 1.971 122.143 119.950 0.371 0.000 2.134 283 F HA -0.164 4.363 4.527 -0.001 0.000 0.299 283 F C 1.653 177.553 175.800 0.167 0.000 1.097 283 F CA 1.465 59.562 58.000 0.163 0.000 1.264 283 F CB 0.130 39.131 39.000 0.001 0.000 1.001 283 F HN -0.226 nan 8.300 nan 0.000 0.479 284 K N 0.062 120.616 120.400 0.258 0.000 2.525 284 K HA -0.010 4.310 4.320 -0.001 0.000 0.192 284 K C 0.664 177.324 176.600 0.099 0.000 1.029 284 K CA 0.370 56.734 56.287 0.128 0.000 1.029 284 K CB -0.206 32.390 32.500 0.160 0.000 0.814 284 K HN 0.113 nan 8.250 nan 0.000 0.503 285 S N 1.742 117.542 115.700 0.167 0.000 2.422 285 S HA 0.113 4.583 4.470 -0.001 0.000 0.283 285 S C 1.132 175.793 174.600 0.102 0.000 1.163 285 S CA -0.728 57.550 58.200 0.131 0.000 1.054 285 S CB 0.173 63.460 63.200 0.144 0.000 0.967 285 S HN 0.355 nan 8.310 nan 0.000 0.499 286 I N 2.716 123.320 120.570 0.056 0.000 3.001 286 I HA 0.027 4.196 4.170 -0.001 0.000 0.268 286 I C 1.924 178.055 176.117 0.022 0.000 1.267 286 I CA 1.006 62.330 61.300 0.041 0.000 1.472 286 I CB -0.229 37.791 38.000 0.034 0.000 1.089 286 I HN 0.720 nan 8.210 nan 0.000 0.468 287 E N 2.063 122.272 120.200 0.015 0.000 2.047 287 E HA -0.239 4.111 4.350 -0.001 0.000 0.191 287 E C 1.914 178.479 176.600 -0.058 0.000 0.987 287 E CA 1.055 57.448 56.400 -0.012 0.000 0.799 287 E CB 0.083 29.782 29.700 -0.003 0.000 0.752 287 E HN 0.395 nan 8.360 nan 0.000 0.449 288 K N -0.161 120.191 120.400 -0.081 0.000 2.044 288 K HA 0.036 4.355 4.320 -0.001 0.000 0.204 288 K C 0.127 176.429 176.600 -0.497 0.000 1.045 288 K CA 0.539 56.657 56.287 -0.283 0.000 0.951 288 K CB 0.008 32.344 32.500 -0.274 0.000 0.738 288 K HN 0.003 nan 8.250 nan 0.000 0.443 289 F N 1.548 121.460 119.950 -0.064 0.000 2.332 289 F HA 0.310 4.837 4.527 -0.000 0.000 0.368 289 F C 1.077 176.822 175.800 -0.091 0.000 1.110 289 F CA -0.437 57.494 58.000 -0.114 0.000 1.087 289 F CB 1.446 40.299 39.000 -0.245 0.000 1.235 289 F HN -0.198 nan 8.300 nan 0.000 0.470 290 K N 3.582 124.018 120.400 0.060 0.000 2.367 290 K HA 0.293 4.613 4.320 -0.001 0.000 0.194 290 K C 0.113 176.747 176.600 0.057 0.000 1.027 290 K CA 0.415 56.724 56.287 0.036 0.000 1.075 290 K CB 0.545 33.044 32.500 -0.001 0.000 0.845 290 K HN 0.591 nan 8.250 nan 0.000 0.529 291 I N -2.016 118.596 120.570 0.071 0.000 2.865 291 I HA 0.565 4.735 4.170 -0.001 0.000 0.302 291 I C -0.985 175.196 176.117 0.107 0.000 1.140 291 I CA -1.490 59.834 61.300 0.040 0.000 1.021 291 I CB 1.818 39.805 38.000 -0.020 0.000 1.233 291 I HN -0.191 nan 8.210 nan 0.000 0.427 292 F N 1.538 121.439 119.950 -0.081 0.000 2.613 292 F HA 0.602 5.129 4.527 -0.001 0.000 0.314 292 F C -0.703 175.029 175.800 -0.114 0.000 1.075 292 F CA -1.089 56.855 58.000 -0.095 0.000 0.945 292 F CB 1.138 40.065 39.000 -0.123 0.000 1.310 292 F HN 0.560 nan 8.300 nan 0.000 0.467 293 N N 1.070 119.780 118.700 0.016 0.000 2.468 293 N HA 0.119 4.859 4.740 -0.001 0.000 0.265 293 N C 0.815 176.266 175.510 -0.098 0.000 1.199 293 N CA 0.630 53.660 53.050 -0.032 0.000 0.928 293 N CB 1.242 39.794 38.487 0.109 0.000 1.059 293 N HN 0.859 nan 8.380 nan 0.000 0.467 294 T N 0.447 114.887 114.554 -0.190 0.000 3.081 294 T HA 0.055 4.405 4.350 -0.001 0.000 0.255 294 T C 0.764 175.554 174.700 0.150 0.000 1.113 294 T CA 0.177 62.217 62.100 -0.101 0.000 1.082 294 T CB -0.245 68.612 68.868 -0.018 0.000 0.939 294 T HN 0.635 nan 8.240 nan 0.000 0.506 295 N N 0.996 119.742 118.700 0.076 0.000 2.800 295 N HA -0.139 4.601 4.740 -0.001 0.000 0.250 295 N C -1.413 174.071 175.510 -0.044 0.000 1.078 295 N CA 0.543 53.597 53.050 0.007 0.000 0.804 295 N CB -1.827 36.630 38.487 -0.050 0.000 1.135 295 N HN 0.467 nan 8.380 nan 0.000 0.565 296 N N 0.770 119.491 118.700 0.036 0.000 2.414 296 N HA 0.445 5.185 4.740 -0.001 0.000 0.256 296 N C -0.522 175.048 175.510 0.099 0.000 1.029 296 N CA 0.061 53.135 53.050 0.040 0.000 0.948 296 N CB 0.660 39.305 38.487 0.263 0.000 1.102 296 N HN 0.255 nan 8.380 nan 0.000 0.496 297 L N 1.395 122.569 121.223 -0.082 0.000 2.401 297 L HA 0.597 4.936 4.340 -0.001 0.000 0.266 297 L C -1.031 175.762 176.870 -0.130 0.000 0.991 297 L CA -0.902 53.908 54.840 -0.050 0.000 0.818 297 L CB 1.834 43.804 42.059 -0.147 0.000 1.321 297 L HN 0.338 nan 8.230 nan 0.000 0.413 298 W N 2.663 123.899 121.300 -0.106 0.000 2.600 298 W HA 0.714 5.374 4.660 -0.000 0.000 0.325 298 W C -0.979 175.466 176.519 -0.123 0.000 1.034 298 W CA -0.576 56.773 57.345 0.007 0.000 1.226 298 W CB 2.054 31.521 29.460 0.012 0.000 1.379 298 W HN -0.002 nan 8.180 nan 0.000 0.466 299 V N 3.009 123.042 119.914 0.199 0.000 2.841 299 V HA 0.322 4.441 4.120 -0.001 0.000 0.310 299 V C -0.249 175.920 176.094 0.126 0.000 1.090 299 V CA -1.394 60.918 62.300 0.020 0.000 0.930 299 V CB 1.908 33.642 31.823 -0.149 0.000 1.014 299 V HN 0.534 nan 8.190 nan 0.000 0.425 300 N N 2.922 121.615 118.700 -0.011 0.000 2.442 300 N HA 0.243 4.983 4.740 -0.001 0.000 0.265 300 N C 0.797 176.267 175.510 -0.067 0.000 1.138 300 N CA -0.156 52.669 53.050 -0.375 0.000 0.956 300 N CB 1.409 39.756 38.487 -0.233 0.000 1.067 300 N HN 0.692 nan 8.380 nan 0.000 0.474 301 L N 4.071 125.222 121.223 -0.120 0.000 2.027 301 L HA -0.148 4.192 4.340 -0.001 0.000 0.206 301 L C 2.381 179.275 176.870 0.041 0.000 1.074 301 L CA 1.225 56.078 54.840 0.021 0.000 0.745 301 L CB -0.257 41.816 42.059 0.023 0.000 0.898 301 L HN 0.581 nan 8.230 nan 0.000 0.433 302 K N 0.094 120.491 120.400 -0.006 0.000 2.074 302 K HA -0.209 4.111 4.320 -0.001 0.000 0.209 302 K C 2.217 178.835 176.600 0.029 0.000 1.048 302 K CA 1.529 57.822 56.287 0.010 0.000 0.926 302 K CB -0.294 32.202 32.500 -0.007 0.000 0.713 302 K HN 0.311 nan 8.250 nan 0.000 0.444 303 A N 1.322 124.178 122.820 0.060 0.000 1.908 303 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 303 A C 2.091 179.717 177.584 0.071 0.000 1.181 303 A CA 1.395 53.482 52.037 0.083 0.000 0.627 303 A CB -0.601 18.547 19.000 0.247 0.000 0.818 303 A HN 0.207 nan 8.150 nan 0.000 0.445 304 I N -0.650 120.053 120.570 0.223 0.000 2.163 304 I HA -0.290 3.880 4.170 -0.001 0.000 0.243 304 I C 2.554 178.726 176.117 0.091 0.000 1.085 304 I CA 1.958 63.392 61.300 0.222 0.000 1.347 304 I CB -0.278 37.925 38.000 0.338 0.000 1.044 304 I HN 0.370 nan 8.210 nan 0.000 0.408 305 K N 1.435 121.878 120.400 0.070 0.000 2.032 305 K HA -0.269 4.050 4.320 -0.001 0.000 0.209 305 K C 2.250 178.847 176.600 -0.004 0.000 1.048 305 K CA 1.763 58.069 56.287 0.032 0.000 0.927 305 K CB -0.078 32.436 32.500 0.023 0.000 0.712 305 K HN 0.140 nan 8.250 nan 0.000 0.441 306 K N 0.614 121.000 120.400 -0.023 0.000 2.026 306 K HA -0.136 4.183 4.320 -0.001 0.000 0.208 306 K C 2.057 178.607 176.600 -0.083 0.000 1.048 306 K CA 1.388 57.646 56.287 -0.049 0.000 0.929 306 K CB -0.067 32.402 32.500 -0.052 0.000 0.713 306 K HN 0.159 nan 8.250 nan 0.000 0.439 307 L N 0.547 121.687 121.223 -0.139 0.000 2.109 307 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 307 L C 2.393 179.182 176.870 -0.135 0.000 1.086 307 L CA 0.432 55.154 54.840 -0.197 0.000 0.760 307 L CB -0.213 41.613 42.059 -0.388 0.000 0.910 307 L HN 0.026 nan 8.230 nan 0.000 0.437 308 V N -0.082 119.792 119.914 -0.066 0.000 2.307 308 V HA -0.251 3.868 4.120 -0.001 0.000 0.245 308 V C 2.369 178.451 176.094 -0.020 0.000 1.045 308 V CA 1.745 64.036 62.300 -0.015 0.000 1.024 308 V CB -0.408 31.445 31.823 0.050 0.000 0.651 308 V HN 0.439 nan 8.190 nan 0.000 0.449 309 E N 0.189 120.377 120.200 -0.020 0.000 2.153 309 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 309 E C 2.030 178.613 176.600 -0.028 0.000 0.988 309 E CA 1.228 57.617 56.400 -0.017 0.000 0.811 309 E CB -0.216 29.475 29.700 -0.014 0.000 0.746 309 E HN 0.584 nan 8.360 nan 0.000 0.466 310 A N 1.264 124.057 122.820 -0.045 0.000 2.251 310 A HA -0.043 4.277 4.320 -0.001 0.000 0.209 310 A C 0.529 178.079 177.584 -0.057 0.000 1.187 310 A CA 0.634 52.642 52.037 -0.049 0.000 0.823 310 A CB -0.001 18.965 19.000 -0.057 0.000 0.846 310 A HN 0.261 nan 8.150 nan 0.000 0.486 311 D N -2.790 117.574 120.400 -0.061 0.000 2.772 311 D HA -0.209 4.430 4.640 -0.001 0.000 0.233 311 D C 0.743 176.972 176.300 -0.118 0.000 1.143 311 D CA 1.065 55.025 54.000 -0.066 0.000 0.700 311 D CB -1.267 39.511 40.800 -0.037 0.000 1.076 311 D HN 0.494 nan 8.370 nan 0.000 0.430 312 A N -0.517 122.195 122.820 -0.180 0.000 2.147 312 A HA 0.298 4.617 4.320 -0.001 0.000 0.211 312 A C 1.229 178.453 177.584 -0.601 0.000 1.160 312 A CA 0.007 51.884 52.037 -0.266 0.000 0.781 312 A CB 0.282 19.153 19.000 -0.216 0.000 0.842 312 A HN 0.352 nan 8.150 nan 0.000 0.475 313 L N 1.578 122.457 121.223 -0.574 0.000 2.385 313 L HA 0.182 4.522 4.340 -0.001 0.000 0.285 313 L C -0.327 176.191 176.870 -0.588 0.000 1.125 313 L CA -0.001 54.327 54.840 -0.853 0.000 0.890 313 L CB 0.240 42.087 42.059 -0.353 0.000 1.251 313 L HN 0.192 nan 8.230 nan 0.000 0.445 314 K N 4.400 124.331 120.400 -0.781 0.000 2.526 314 K HA 0.380 4.699 4.320 -0.001 0.000 0.214 314 K C -0.487 176.250 176.600 0.227 0.000 1.088 314 K CA -0.564 55.654 56.287 -0.114 0.000 1.058 314 K CB 0.744 33.245 32.500 0.003 0.000 1.653 314 K HN 0.417 nan 8.250 nan 0.000 0.521 315 M N 1.314 121.055 119.600 0.236 0.000 2.240 315 M HA 0.033 4.512 4.480 -0.001 0.000 0.333 315 M C 0.267 176.704 176.300 0.230 0.000 1.110 315 M CA 0.118 55.617 55.300 0.331 0.000 1.173 315 M CB 0.263 33.046 32.600 0.305 0.000 1.458 315 M HN 0.229 nan 8.290 nan 0.000 0.458 316 E N 1.647 121.962 120.200 0.192 0.000 2.502 316 E HA 0.018 4.367 4.350 -0.001 0.000 0.261 316 E C -0.788 175.902 176.600 0.149 0.000 0.974 316 E CA 0.428 56.912 56.400 0.141 0.000 0.936 316 E CB 0.114 29.872 29.700 0.096 0.000 0.926 316 E HN 0.272 nan 8.360 nan 0.000 0.459 317 I N 4.196 124.860 120.570 0.156 0.000 2.371 317 I HA 0.149 4.319 4.170 -0.001 0.000 0.290 317 I C 0.304 176.509 176.117 0.146 0.000 1.028 317 I CA -0.207 61.196 61.300 0.171 0.000 1.345 317 I CB 0.107 38.256 38.000 0.248 0.000 1.407 317 I HN 0.425 nan 8.210 nan 0.000 0.501 318 I N 8.805 129.440 120.570 0.108 0.000 2.291 318 I HA 0.219 4.389 4.170 -0.001 0.000 0.290 318 I C -2.122 174.019 176.117 0.041 0.000 1.050 318 I CA -1.648 59.695 61.300 0.071 0.000 1.245 318 I CB 1.248 39.277 38.000 0.048 0.000 1.405 318 I HN 0.298 nan 8.210 nan 0.000 0.478 319 P HA 0.136 nan 4.420 nan 0.000 0.288 319 P C -0.892 176.388 177.300 -0.033 0.000 1.363 319 P CA -0.418 62.672 63.100 -0.016 0.000 0.837 319 P CB 0.721 32.481 31.700 0.100 0.000 0.981 320 N N 5.307 123.956 118.700 -0.085 0.000 2.801 320 N HA 0.290 5.030 4.740 -0.001 0.000 0.235 320 N C -2.522 172.917 175.510 -0.120 0.000 1.069 320 N CA -2.651 50.348 53.050 -0.086 0.000 0.946 320 N CB 0.112 38.542 38.487 -0.094 0.000 1.212 320 N HN 0.173 nan 8.380 nan 0.000 0.509 321 P HA 0.269 nan 4.420 nan 0.000 0.275 321 P C -0.669 176.577 177.300 -0.090 0.000 1.228 321 P CA -0.144 62.899 63.100 -0.094 0.000 0.786 321 P CB 0.958 32.623 31.700 -0.058 0.000 0.927 322 K N 0.808 121.143 120.400 -0.108 0.000 2.495 322 K HA 0.524 4.844 4.320 -0.001 0.000 0.268 322 K C -1.305 175.235 176.600 -0.100 0.000 1.008 322 K CA -0.701 55.535 56.287 -0.085 0.000 0.882 322 K CB 1.919 34.373 32.500 -0.076 0.000 1.443 322 K HN 0.293 nan 8.250 nan 0.000 0.447 323 E N 1.104 121.263 120.200 -0.068 0.000 2.216 323 E HA 0.487 4.836 4.350 -0.001 0.000 0.260 323 E C -1.719 174.866 176.600 -0.025 0.000 0.880 323 E CA -0.759 55.598 56.400 -0.073 0.000 0.765 323 E CB 1.503 31.175 29.700 -0.047 0.000 1.174 323 E HN 0.237 nan 8.360 nan 0.000 0.417 324 V N 4.329 124.228 119.914 -0.025 0.000 2.531 324 V HA 0.252 4.372 4.120 -0.001 0.000 0.301 324 V C -0.587 175.613 176.094 0.176 0.000 1.034 324 V CA -0.917 61.454 62.300 0.118 0.000 0.865 324 V CB 1.814 33.803 31.823 0.276 0.000 0.995 324 V HN 0.890 nan 8.190 nan 0.000 0.424 325 D N 3.744 124.238 120.400 0.158 0.000 2.686 325 D HA -0.193 4.446 4.640 -0.001 0.000 0.235 325 D C 1.379 177.736 176.300 0.095 0.000 1.160 325 D CA 1.662 55.748 54.000 0.144 0.000 0.645 325 D CB -1.114 39.816 40.800 0.217 0.000 1.039 325 D HN 1.524 nan 8.370 nan 0.000 0.423 326 G N -1.782 107.042 108.800 0.041 0.000 2.187 326 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.261 326 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.261 326 G C 0.370 175.249 174.900 -0.034 0.000 1.000 326 G CA 0.471 45.574 45.100 0.005 0.000 0.718 326 G HN 0.680 nan 8.290 nan 0.000 0.519 327 V N 0.512 120.378 119.914 -0.081 0.000 2.347 327 V HA 0.346 4.466 4.120 -0.001 0.000 0.280 327 V C 0.689 176.587 176.094 -0.328 0.000 1.021 327 V CA -1.005 61.151 62.300 -0.240 0.000 0.847 327 V CB 1.578 33.148 31.823 -0.422 0.000 0.990 327 V HN 0.302 nan 8.190 nan 0.000 0.444 328 K N 3.927 124.172 120.400 -0.258 0.000 2.402 328 K HA 0.379 4.698 4.320 -0.001 0.000 0.285 328 K C -0.202 176.195 176.600 -0.338 0.000 1.054 328 K CA -0.034 56.114 56.287 -0.232 0.000 1.001 328 K CB 0.924 33.336 32.500 -0.147 0.000 0.946 328 K HN 0.678 nan 8.250 nan 0.000 0.473 329 V N 1.109 120.822 119.914 -0.334 0.000 2.960 329 V HA 0.545 4.665 4.120 -0.001 0.000 0.315 329 V C -0.554 175.393 176.094 -0.245 0.000 1.087 329 V CA -1.239 60.847 62.300 -0.357 0.000 0.982 329 V CB 1.719 33.287 31.823 -0.425 0.000 1.039 329 V HN 0.602 nan 8.190 nan 0.000 0.437 330 L N 2.516 123.590 121.223 -0.248 0.000 2.296 330 L HA 0.559 4.898 4.340 -0.001 0.000 0.286 330 L C -0.301 176.375 176.870 -0.324 0.000 1.023 330 L CA -0.338 54.358 54.840 -0.239 0.000 0.812 330 L CB 1.658 43.581 42.059 -0.228 0.000 1.223 330 L HN 0.814 nan 8.230 nan 0.000 0.421 331 Q N 5.660 125.213 119.800 -0.412 0.000 2.333 331 Q HA 0.493 4.832 4.340 -0.001 0.000 0.265 331 Q C -1.224 174.546 176.000 -0.383 0.000 0.989 331 Q CA -0.575 54.757 55.803 -0.787 0.000 0.842 331 Q CB 2.660 30.847 28.738 -0.919 0.000 1.262 331 Q HN 0.542 nan 8.270 nan 0.000 0.451 332 L N 2.929 124.086 121.223 -0.110 0.000 2.272 332 L HA 0.451 4.790 4.340 -0.001 0.000 0.289 332 L C 0.015 177.059 176.870 0.291 0.000 1.032 332 L CA -0.258 54.615 54.840 0.055 0.000 0.810 332 L CB 0.841 42.910 42.059 0.017 0.000 1.205 332 L HN 0.565 nan 8.230 nan 0.000 0.422 333 E N 1.659 121.964 120.200 0.174 0.000 2.359 333 E HA 0.672 5.022 4.350 -0.001 0.000 0.266 333 E C -0.811 175.875 176.600 0.144 0.000 0.920 333 E CA -0.818 55.695 56.400 0.188 0.000 0.788 333 E CB 2.678 32.440 29.700 0.104 0.000 1.279 333 E HN 0.584 nan 8.360 nan 0.000 0.438 334 T N -2.508 112.125 114.554 0.131 0.000 2.901 334 T HA 0.767 5.117 4.350 -0.001 0.000 0.293 334 T C -0.877 173.892 174.700 0.115 0.000 1.084 334 T CA -0.981 61.206 62.100 0.146 0.000 1.008 334 T CB 1.670 70.660 68.868 0.203 0.000 1.170 334 T HN 0.504 nan 8.240 nan 0.000 0.509 335 A N 0.645 123.577 122.820 0.186 0.000 2.317 335 A HA 0.825 5.144 4.320 -0.001 0.000 0.327 335 A C 1.458 179.319 177.584 0.461 0.000 1.178 335 A CA -0.402 51.805 52.037 0.284 0.000 0.817 335 A CB 0.682 19.850 19.000 0.280 0.000 1.189 335 A HN 1.475 nan 8.150 nan 0.000 0.489 336 A N 2.315 125.525 122.820 0.651 0.000 1.940 336 A HA 0.043 4.363 4.320 -0.001 0.000 0.219 336 A C 2.076 179.997 177.584 0.562 0.000 1.176 336 A CA 2.330 54.696 52.037 0.548 0.000 0.631 336 A CB -0.979 18.129 19.000 0.180 0.000 0.814 336 A HN 1.455 nan 8.150 nan 0.000 0.446 337 G N -0.936 108.097 108.800 0.388 0.000 2.471 337 G HA2 0.100 4.060 3.960 -0.001 0.000 0.219 337 G HA3 0.100 4.060 3.960 -0.001 0.000 0.219 337 G C 1.509 176.547 174.900 0.230 0.000 1.125 337 G CA 1.081 46.382 45.100 0.335 0.000 0.775 337 G HN 0.796 nan 8.290 nan 0.000 0.548 338 A N 0.805 123.776 122.820 0.252 0.000 2.119 338 A HA 0.474 4.793 4.320 -0.001 0.000 0.217 338 A C 2.588 180.285 177.584 0.188 0.000 1.153 338 A CA 1.510 53.654 52.037 0.178 0.000 0.692 338 A CB -0.329 18.794 19.000 0.204 0.000 0.799 338 A HN 0.602 nan 8.150 nan 0.000 0.458 339 A N -0.110 122.878 122.820 0.281 0.000 2.172 339 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 339 A C 1.919 179.557 177.584 0.091 0.000 1.154 339 A CA 1.049 53.305 52.037 0.365 0.000 0.701 339 A CB -0.623 18.561 19.000 0.307 0.000 0.789 339 A HN 0.611 nan 8.150 nan 0.000 0.465 340 I N 0.541 120.847 120.570 -0.439 0.000 2.315 340 I HA -0.330 3.840 4.170 -0.001 0.000 0.251 340 I C 2.559 178.489 176.117 -0.312 0.000 1.125 340 I CA 1.910 62.672 61.300 -0.897 0.000 1.392 340 I CB -0.063 37.505 38.000 -0.721 0.000 1.065 340 I HN 0.553 nan 8.210 nan 0.000 0.424 341 R N -0.245 120.068 120.500 -0.311 0.000 2.280 341 R HA -0.107 4.232 4.340 -0.001 0.000 0.207 341 R C 1.420 177.479 176.300 -0.401 0.000 1.043 341 R CA 1.130 57.006 56.100 -0.375 0.000 1.006 341 R CB -0.678 29.316 30.300 -0.511 0.000 0.885 341 R HN 0.294 nan 8.270 nan 0.000 0.467 342 F N 0.085 120.062 119.950 0.045 0.000 2.754 342 F HA 0.314 4.841 4.527 -0.001 0.000 0.297 342 F C 0.458 176.164 175.800 -0.157 0.000 1.122 342 F CA -0.335 57.627 58.000 -0.064 0.000 1.400 342 F CB 0.082 38.993 39.000 -0.149 0.000 1.117 342 F HN -0.179 nan 8.300 nan 0.000 0.587 343 F N 0.111 120.088 119.950 0.045 0.000 2.408 343 F HA 0.326 4.853 4.527 -0.001 0.000 0.325 343 F C 0.403 176.235 175.800 0.054 0.000 1.082 343 F CA -1.090 56.955 58.000 0.076 0.000 1.032 343 F CB 0.559 39.643 39.000 0.139 0.000 1.259 343 F HN -0.308 nan 8.300 nan 0.000 0.503 344 D N 0.818 121.365 120.400 0.244 0.000 2.175 344 D HA 0.115 4.755 4.640 -0.001 0.000 0.248 344 D C 0.011 176.416 176.300 0.176 0.000 1.047 344 D CA 0.022 54.113 54.000 0.152 0.000 0.883 344 D CB 0.991 41.852 40.800 0.101 0.000 1.180 344 D HN 0.493 nan 8.370 nan 0.000 0.438 345 N N 0.360 119.135 118.700 0.125 0.000 2.727 345 N HA -0.225 4.515 4.740 -0.001 0.000 0.249 345 N C -1.065 174.538 175.510 0.155 0.000 1.048 345 N CA 0.665 53.786 53.050 0.119 0.000 0.714 345 N CB -0.802 37.751 38.487 0.110 0.000 0.959 345 N HN 0.508 nan 8.380 nan 0.000 0.544 346 A N 0.315 123.229 122.820 0.157 0.000 2.351 346 A HA 0.620 4.939 4.320 -0.001 0.000 0.257 346 A C 0.825 178.482 177.584 0.123 0.000 1.087 346 A CA 0.080 52.219 52.037 0.172 0.000 0.798 346 A CB 0.369 19.438 19.000 0.114 0.000 1.033 346 A HN 0.641 nan 8.150 nan 0.000 0.488 347 I N -1.696 118.958 120.570 0.141 0.000 3.095 347 I HA 0.840 5.010 4.170 -0.001 0.000 0.310 347 I C 0.205 176.380 176.117 0.098 0.000 1.196 347 I CA -1.116 60.238 61.300 0.090 0.000 0.985 347 I CB 2.000 40.038 38.000 0.063 0.000 1.250 347 I HN 0.666 nan 8.210 nan 0.000 0.446 348 G N 1.026 109.856 108.800 0.051 0.000 2.462 348 G HA2 0.578 4.538 3.960 -0.001 0.000 0.319 348 G HA3 0.578 4.538 3.960 -0.001 0.000 0.319 348 G C -1.308 173.585 174.900 -0.012 0.000 1.171 348 G CA -0.744 44.381 45.100 0.041 0.000 0.920 348 G HN 0.672 nan 8.290 nan 0.000 0.499 349 V N 1.181 121.085 119.914 -0.017 0.000 2.531 349 V HA 0.502 4.622 4.120 -0.001 0.000 0.301 349 V C -0.994 175.081 176.094 -0.032 0.000 1.034 349 V CA -1.215 61.053 62.300 -0.054 0.000 0.865 349 V CB 1.734 33.506 31.823 -0.086 0.000 0.995 349 V HN 0.669 nan 8.190 nan 0.000 0.424 350 N N 5.218 123.900 118.700 -0.031 0.000 2.420 350 N HA 0.425 5.164 4.740 -0.001 0.000 0.249 350 N C -0.545 174.946 175.510 -0.032 0.000 1.033 350 N CA -0.033 52.990 53.050 -0.046 0.000 0.944 350 N CB 1.341 39.805 38.487 -0.039 0.000 1.113 350 N HN 0.728 nan 8.380 nan 0.000 0.502 351 V N 2.153 122.008 119.914 -0.099 0.000 2.881 351 V HA 0.780 4.900 4.120 -0.001 0.000 0.316 351 V C -2.398 173.597 176.094 -0.165 0.000 1.070 351 V CA -2.425 59.761 62.300 -0.189 0.000 0.976 351 V CB 1.368 33.045 31.823 -0.242 0.000 1.038 351 V HN 0.429 nan 8.190 nan 0.000 0.446 352 P HA 0.231 nan 4.420 nan 0.000 0.268 352 P C 0.336 177.600 177.300 -0.060 0.000 1.208 352 P CA -0.116 62.918 63.100 -0.109 0.000 0.777 352 P CB 0.448 32.071 31.700 -0.128 0.000 0.875 353 R N 1.616 122.121 120.500 0.008 0.000 2.285 353 R HA -0.093 4.246 4.340 -0.001 0.000 0.213 353 R C 1.701 178.067 176.300 0.110 0.000 1.068 353 R CA 1.308 57.463 56.100 0.092 0.000 1.004 353 R CB -0.356 30.031 30.300 0.144 0.000 0.873 353 R HN 0.600 nan 8.270 nan 0.000 0.467 354 S N -0.108 115.621 115.700 0.048 0.000 2.442 354 S HA -0.121 4.348 4.470 -0.001 0.000 0.236 354 S C 1.557 176.186 174.600 0.049 0.000 1.007 354 S CA 0.691 58.923 58.200 0.053 0.000 0.965 354 S CB -0.160 63.048 63.200 0.013 0.000 0.773 354 S HN 0.383 nan 8.310 nan 0.000 0.504 355 R N -0.342 120.181 120.500 0.037 0.000 2.310 355 R HA 0.275 4.615 4.340 -0.001 0.000 0.202 355 R C -0.558 175.843 176.300 0.168 0.000 0.933 355 R CA 0.116 56.256 56.100 0.067 0.000 1.054 355 R CB -0.032 30.280 30.300 0.019 0.000 0.985 355 R HN 0.481 nan 8.270 nan 0.000 0.489 356 F N 1.275 121.232 119.950 0.013 0.000 2.451 356 F HA 0.302 4.829 4.527 -0.001 0.000 0.367 356 F C -0.708 175.129 175.800 0.061 0.000 1.100 356 F CA -0.962 57.064 58.000 0.043 0.000 1.171 356 F CB 0.629 39.662 39.000 0.055 0.000 1.405 356 F HN -0.194 nan 8.300 nan 0.000 0.482 357 L N 8.526 129.587 121.223 -0.271 0.000 2.594 357 L HA 0.468 4.807 4.340 -0.001 0.000 0.245 357 L C -2.692 173.990 176.870 -0.315 0.000 1.460 357 L CA -1.708 52.975 54.840 -0.261 0.000 0.865 357 L CB 0.912 42.894 42.059 -0.128 0.000 1.131 357 L HN 0.227 nan 8.230 nan 0.000 0.506 358 P HA 0.113 nan 4.420 nan 0.000 0.278 358 P C -0.611 176.564 177.300 -0.209 0.000 1.238 358 P CA -0.129 62.759 63.100 -0.354 0.000 0.794 358 P CB 2.161 33.581 31.700 -0.467 0.000 0.955 359 V N 4.730 124.577 119.914 -0.112 0.000 2.304 359 V HA 0.171 4.291 4.120 -0.001 0.000 0.269 359 V C 1.059 177.100 176.094 -0.089 0.000 1.036 359 V CA 0.125 62.399 62.300 -0.043 0.000 0.840 359 V CB 0.541 32.474 31.823 0.184 0.000 1.036 359 V HN 0.474 nan 8.190 nan 0.000 0.466 360 K N 2.792 123.136 120.400 -0.094 0.000 2.355 360 K HA 0.653 4.972 4.320 -0.001 0.000 0.198 360 K C 0.288 176.848 176.600 -0.067 0.000 1.039 360 K CA 0.558 56.798 56.287 -0.079 0.000 1.075 360 K CB 1.224 33.687 32.500 -0.060 0.000 0.870 360 K HN 0.772 nan 8.250 nan 0.000 0.540 361 A N -0.941 121.829 122.820 -0.083 0.000 2.586 361 A HA 0.380 4.700 4.320 -0.001 0.000 0.291 361 A C 0.511 177.992 177.584 -0.172 0.000 1.062 361 A CA -0.041 51.940 52.037 -0.093 0.000 0.666 361 A CB 0.296 19.257 19.000 -0.065 0.000 1.281 361 A HN 0.001 nan 8.150 nan 0.000 0.421 362 S N 0.185 115.752 115.700 -0.222 0.000 2.442 362 S HA -0.154 4.316 4.470 -0.001 0.000 0.236 362 S C 1.809 176.074 174.600 -0.558 0.000 1.007 362 S CA 2.032 59.914 58.200 -0.530 0.000 0.965 362 S CB -0.780 62.129 63.200 -0.485 0.000 0.773 362 S HN 1.946 nan 8.310 nan 0.000 0.504 363 S N 2.267 117.812 115.700 -0.259 0.000 2.399 363 S HA -0.167 4.303 4.470 -0.001 0.000 0.231 363 S C 1.399 175.891 174.600 -0.179 0.000 1.022 363 S CA 1.192 59.286 58.200 -0.177 0.000 0.983 363 S CB -0.624 62.517 63.200 -0.099 0.000 0.803 363 S HN 0.542 nan 8.310 nan 0.000 0.480 364 D N 1.882 122.173 120.400 -0.183 0.000 2.123 364 D HA 0.059 4.699 4.640 -0.001 0.000 0.200 364 D C 2.064 178.256 176.300 -0.180 0.000 0.976 364 D CA 0.805 54.715 54.000 -0.151 0.000 0.831 364 D CB -0.382 40.343 40.800 -0.124 0.000 0.974 364 D HN 0.366 nan 8.370 nan 0.000 0.469 365 L N 0.866 121.930 121.223 -0.265 0.000 2.043 365 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 365 L C 2.655 179.433 176.870 -0.153 0.000 1.075 365 L CA 0.710 55.394 54.840 -0.260 0.000 0.752 365 L CB -0.404 41.391 42.059 -0.440 0.000 0.891 365 L HN 0.077 nan 8.230 nan 0.000 0.432 366 L N -0.223 120.886 121.223 -0.191 0.000 2.013 366 L HA -0.293 4.047 4.340 -0.001 0.000 0.212 366 L C 2.608 179.444 176.870 -0.056 0.000 1.073 366 L CA 1.504 56.336 54.840 -0.013 0.000 0.753 366 L CB -0.155 41.864 42.059 -0.066 0.000 0.890 366 L HN 0.216 nan 8.230 nan 0.000 0.432 367 L N -1.034 120.155 121.223 -0.056 0.000 1.990 367 L HA -0.289 4.051 4.340 -0.001 0.000 0.213 367 L C 2.339 179.259 176.870 0.084 0.000 1.072 367 L CA 1.495 56.351 54.840 0.026 0.000 0.755 367 L CB -0.590 41.490 42.059 0.035 0.000 0.889 367 L HN 0.146 nan 8.230 nan 0.000 0.432 368 V N -1.296 118.581 119.914 -0.061 0.000 3.129 368 V HA -0.141 3.978 4.120 -0.001 0.000 0.259 368 V C 1.938 178.013 176.094 -0.031 0.000 1.116 368 V CA 1.048 63.255 62.300 -0.155 0.000 1.127 368 V CB -0.103 31.529 31.823 -0.318 0.000 0.742 368 V HN 0.467 nan 8.190 nan 0.000 0.474 369 Q N -0.020 119.773 119.800 -0.012 0.000 2.360 369 Q HA 0.106 4.446 4.340 -0.001 0.000 0.202 369 Q C 1.286 177.290 176.000 0.007 0.000 0.915 369 Q CA 0.225 56.030 55.803 0.004 0.000 0.943 369 Q CB 0.478 29.234 28.738 0.030 0.000 1.064 369 Q HN 0.761 nan 8.270 nan 0.000 0.511 370 S N 0.532 116.245 115.700 0.021 0.000 2.607 370 S HA 0.038 4.507 4.470 -0.001 0.000 0.272 370 S C 0.786 175.401 174.600 0.026 0.000 1.166 370 S CA -0.237 57.961 58.200 -0.004 0.000 1.021 370 S CB 0.560 63.746 63.200 -0.023 0.000 1.113 370 S HN 0.198 nan 8.310 nan 0.000 0.531 371 D N -0.470 119.930 120.400 -0.000 0.000 2.349 371 D HA 0.004 4.643 4.640 -0.001 0.000 0.224 371 D C 1.540 177.821 176.300 -0.032 0.000 1.029 371 D CA 0.164 54.160 54.000 -0.006 0.000 0.879 371 D CB -0.516 40.275 40.800 -0.014 0.000 0.906 371 D HN 0.431 nan 8.370 nan 0.000 0.528 372 L N -1.163 120.039 121.223 -0.034 0.000 2.275 372 L HA -0.031 4.309 4.340 -0.001 0.000 0.215 372 L C 0.011 176.641 176.870 -0.401 0.000 1.119 372 L CA 0.981 55.721 54.840 -0.167 0.000 0.790 372 L CB 0.023 42.020 42.059 -0.104 0.000 0.919 372 L HN -0.018 nan 8.230 nan 0.000 0.443 373 Y N -1.695 118.594 120.300 -0.018 0.000 2.605 373 Y HA 0.422 4.971 4.550 -0.001 0.000 0.343 373 Y C 0.282 176.178 175.900 -0.008 0.000 1.036 373 Y CA -1.012 57.082 58.100 -0.010 0.000 1.065 373 Y CB 1.874 40.327 38.460 -0.013 0.000 1.288 373 Y HN -0.206 nan 8.280 nan 0.000 0.481 374 T N -1.257 113.399 114.554 0.171 0.000 2.841 374 T HA 0.614 4.963 4.350 -0.001 0.000 0.296 374 T C -1.764 173.001 174.700 0.109 0.000 1.166 374 T CA -0.886 61.276 62.100 0.103 0.000 1.007 374 T CB 1.526 70.430 68.868 0.059 0.000 1.253 374 T HN 0.336 nan 8.240 nan 0.000 0.511 375 L N 1.709 122.972 121.223 0.066 0.000 2.276 375 L HA 0.663 5.002 4.340 -0.001 0.000 0.286 375 L C -0.770 176.137 176.870 0.060 0.000 1.061 375 L CA -0.423 54.450 54.840 0.055 0.000 0.807 375 L CB 1.077 43.144 42.059 0.012 0.000 1.177 375 L HN 0.689 nan 8.230 nan 0.000 0.429 376 V N 4.102 124.073 119.914 0.096 0.000 2.447 376 V HA 0.336 4.455 4.120 -0.001 0.000 0.292 376 V C -0.617 175.527 176.094 0.082 0.000 1.021 376 V CA -0.885 61.474 62.300 0.098 0.000 0.850 376 V CB 1.463 33.365 31.823 0.132 0.000 1.005 376 V HN 0.788 nan 8.190 nan 0.000 0.426 377 D N 4.210 124.600 120.400 -0.017 0.000 2.708 377 D HA -0.203 4.437 4.640 -0.001 0.000 0.236 377 D C 1.368 177.446 176.300 -0.370 0.000 1.146 377 D CA 1.751 55.666 54.000 -0.142 0.000 0.662 377 D CB -1.047 39.694 40.800 -0.098 0.000 1.059 377 D HN 1.459 nan 8.370 nan 0.000 0.428 378 G N -1.327 107.328 108.800 -0.242 0.000 2.184 378 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.264 378 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.264 378 G C 0.167 174.904 174.900 -0.272 0.000 0.975 378 G CA 0.291 45.226 45.100 -0.274 0.000 0.642 378 G HN 0.389 nan 8.290 nan 0.000 0.536 379 F N 0.708 120.663 119.950 0.008 0.000 2.404 379 F HA 0.563 5.090 4.527 -0.001 0.000 0.345 379 F C 0.914 176.725 175.800 0.017 0.000 1.110 379 F CA -1.209 56.801 58.000 0.016 0.000 1.130 379 F CB 1.687 40.708 39.000 0.035 0.000 1.129 379 F HN -0.065 nan 8.300 nan 0.000 0.500 380 V N 2.971 122.996 119.914 0.185 0.000 2.409 380 V HA 0.120 4.239 4.120 -0.001 0.000 0.270 380 V C 0.459 176.692 176.094 0.233 0.000 1.019 380 V CA 0.047 62.414 62.300 0.112 0.000 1.066 380 V CB -0.170 31.609 31.823 -0.073 0.000 1.021 380 V HN 0.863 nan 8.190 nan 0.000 0.476 381 T N 4.826 119.550 114.554 0.283 0.000 2.829 381 T HA 0.439 4.789 4.350 -0.001 0.000 0.280 381 T C -0.115 174.723 174.700 0.229 0.000 0.999 381 T CA -0.925 61.322 62.100 0.244 0.000 0.983 381 T CB 1.226 70.188 68.868 0.157 0.000 0.968 381 T HN 0.590 nan 8.240 nan 0.000 0.446 382 R N 3.103 123.658 120.500 0.091 0.000 2.570 382 R HA 0.060 4.400 4.340 -0.001 0.000 0.277 382 R C 0.316 176.506 176.300 -0.183 0.000 1.039 382 R CA -0.416 55.517 56.100 -0.280 0.000 1.065 382 R CB 0.248 30.389 30.300 -0.265 0.000 0.964 382 R HN 0.756 nan 8.270 nan 0.000 0.428 383 N N 3.119 121.668 118.700 -0.252 0.000 2.454 383 N HA -0.096 4.643 4.740 -0.001 0.000 0.260 383 N C 0.871 176.318 175.510 -0.106 0.000 1.218 383 N CA 0.457 53.428 53.050 -0.131 0.000 0.904 383 N CB 0.906 39.313 38.487 -0.134 0.000 1.065 383 N HN 0.579 nan 8.380 nan 0.000 0.462 384 K N 2.936 123.300 120.400 -0.060 0.000 2.209 384 K HA -0.121 4.199 4.320 -0.001 0.000 0.204 384 K C 1.418 177.990 176.600 -0.046 0.000 1.048 384 K CA 1.370 57.629 56.287 -0.046 0.000 0.940 384 K CB -0.213 32.271 32.500 -0.025 0.000 0.729 384 K HN 0.431 nan 8.250 nan 0.000 0.451 385 A N 1.947 124.739 122.820 -0.048 0.000 2.024 385 A HA -0.146 4.174 4.320 -0.001 0.000 0.220 385 A C 1.618 179.172 177.584 -0.050 0.000 1.164 385 A CA 1.026 53.038 52.037 -0.042 0.000 0.643 385 A CB -0.379 18.598 19.000 -0.037 0.000 0.806 385 A HN 0.346 nan 8.150 nan 0.000 0.451 386 R N 1.088 121.544 120.500 -0.073 0.000 2.565 386 R HA 0.258 4.597 4.340 -0.001 0.000 0.286 386 R C 0.841 177.101 176.300 -0.066 0.000 1.256 386 R CA 0.793 56.846 56.100 -0.078 0.000 1.238 386 R CB -0.312 29.915 30.300 -0.121 0.000 1.153 386 R HN 0.327 nan 8.270 nan 0.000 0.553 387 T N -0.418 114.110 114.554 -0.043 0.000 3.067 387 T HA 0.017 4.367 4.350 -0.001 0.000 0.261 387 T C 0.849 175.533 174.700 -0.027 0.000 1.110 387 T CA -0.100 61.980 62.100 -0.033 0.000 1.113 387 T CB -0.201 68.653 68.868 -0.023 0.000 0.917 387 T HN 0.312 nan 8.240 nan 0.000 0.499 388 N N 3.528 122.212 118.700 -0.026 0.000 2.416 388 N HA 0.106 4.846 4.740 -0.001 0.000 0.265 388 N C -1.558 173.939 175.510 -0.022 0.000 1.195 388 N CA -1.876 51.163 53.050 -0.018 0.000 0.943 388 N CB 1.551 40.030 38.487 -0.014 0.000 1.115 388 N HN 0.146 nan 8.380 nan 0.000 0.481 389 P HA 0.012 nan 4.420 nan 0.000 0.241 389 P C -0.194 177.112 177.300 0.010 0.000 1.191 389 P CA 0.195 63.291 63.100 -0.007 0.000 0.771 389 P CB 0.348 32.048 31.700 0.000 0.000 0.929 390 S N 1.072 116.780 115.700 0.013 0.000 2.565 390 S HA 0.216 4.685 4.470 -0.001 0.000 0.276 390 S C 0.476 175.091 174.600 0.025 0.000 1.326 390 S CA -0.294 57.924 58.200 0.030 0.000 1.045 390 S CB 0.130 63.347 63.200 0.028 0.000 0.918 390 S HN 0.074 nan 8.310 nan 0.000 0.505 391 N N 2.965 121.693 118.700 0.047 0.000 2.515 391 N HA 0.411 5.151 4.740 -0.001 0.000 0.279 391 N C -2.422 173.108 175.510 0.033 0.000 1.164 391 N CA -1.496 51.582 53.050 0.046 0.000 0.982 391 N CB 0.081 38.620 38.487 0.087 0.000 1.170 391 N HN 0.343 nan 8.380 nan 0.000 0.474 392 P HA 0.108 nan 4.420 nan 0.000 0.271 392 P C -0.567 176.743 177.300 0.017 0.000 1.218 392 P CA -0.120 62.989 63.100 0.015 0.000 0.780 392 P CB 0.485 32.188 31.700 0.006 0.000 0.901 393 S N 1.595 117.303 115.700 0.015 0.000 2.531 393 S HA 0.304 4.774 4.470 -0.001 0.000 0.279 393 S C 0.473 175.073 174.600 -0.001 0.000 1.305 393 S CA -0.234 57.972 58.200 0.010 0.000 1.058 393 S CB -0.266 62.941 63.200 0.013 0.000 0.899 393 S HN 0.265 nan 8.310 nan 0.000 0.493 394 I N 2.850 123.413 120.570 -0.012 0.000 2.418 394 I HA 0.378 4.547 4.170 -0.001 0.000 0.287 394 I C -0.114 175.984 176.117 -0.032 0.000 1.008 394 I CA -0.306 60.976 61.300 -0.030 0.000 1.104 394 I CB 1.741 39.712 38.000 -0.048 0.000 1.264 394 I HN 0.595 nan 8.210 nan 0.000 0.438 395 E N 8.060 128.240 120.200 -0.032 0.000 2.241 395 E HA 0.630 4.979 4.350 -0.001 0.000 0.263 395 E C -1.921 174.648 176.600 -0.052 0.000 0.882 395 E CA -0.571 55.812 56.400 -0.029 0.000 0.769 395 E CB 1.827 31.523 29.700 -0.007 0.000 1.185 395 E HN 0.549 nan 8.360 nan 0.000 0.415 396 L N 3.258 124.444 121.223 -0.061 0.000 2.354 396 L HA 0.635 4.974 4.340 -0.001 0.000 0.269 396 L C 0.836 177.730 176.870 0.041 0.000 1.005 396 L CA -1.098 53.668 54.840 -0.123 0.000 0.819 396 L CB 1.924 43.841 42.059 -0.237 0.000 1.311 396 L HN 0.714 nan 8.230 nan 0.000 0.423 397 G N 0.894 109.777 108.800 0.137 0.000 2.653 397 G HA2 0.249 4.209 3.960 -0.001 0.000 0.265 397 G HA3 0.249 4.209 3.960 -0.001 0.000 0.265 397 G C -1.685 173.354 174.900 0.232 0.000 1.237 397 G CA -0.780 44.428 45.100 0.180 0.000 0.946 397 G HN 0.500 nan 8.290 nan 0.000 0.522 398 P HA -0.050 nan 4.420 nan 0.000 0.222 398 P C 1.029 178.380 177.300 0.085 0.000 1.147 398 P CA 0.918 64.080 63.100 0.103 0.000 0.790 398 P CB 0.264 32.000 31.700 0.059 0.000 0.780 399 E N -0.992 119.248 120.200 0.066 0.000 2.267 399 E HA -0.123 4.226 4.350 -0.001 0.000 0.197 399 E C 0.986 177.411 176.600 -0.292 0.000 0.998 399 E CA 1.064 57.377 56.400 -0.145 0.000 0.830 399 E CB -0.774 28.756 29.700 -0.282 0.000 0.751 399 E HN 0.395 nan 8.360 nan 0.000 0.491 400 F N -0.548 119.408 119.950 0.010 0.000 2.653 400 F HA 0.264 4.790 4.527 -0.001 0.000 0.304 400 F C 1.772 177.632 175.800 0.101 0.000 1.092 400 F CA -0.334 57.727 58.000 0.101 0.000 1.279 400 F CB 0.321 39.438 39.000 0.195 0.000 1.044 400 F HN -0.159 nan 8.300 nan 0.000 0.564 401 K N 1.367 121.876 120.400 0.181 0.000 2.009 401 K HA -0.133 4.186 4.320 -0.001 0.000 0.210 401 K C 0.455 177.105 176.600 0.083 0.000 1.049 401 K CA 1.252 57.602 56.287 0.105 0.000 0.929 401 K CB 0.066 32.605 32.500 0.066 0.000 0.714 401 K HN 0.137 nan 8.250 nan 0.000 0.440 402 K N 0.778 121.226 120.400 0.080 0.000 2.218 402 K HA 0.056 4.376 4.320 -0.001 0.000 0.276 402 K C 1.127 177.808 176.600 0.135 0.000 1.022 402 K CA -0.511 55.822 56.287 0.077 0.000 0.946 402 K CB 1.805 34.337 32.500 0.054 0.000 1.000 402 K HN -0.143 nan 8.250 nan 0.000 0.468 403 V N 2.503 122.492 119.914 0.125 0.000 2.332 403 V HA -0.322 3.797 4.120 -0.001 0.000 0.248 403 V C 2.185 178.424 176.094 0.240 0.000 1.055 403 V CA 2.470 64.891 62.300 0.201 0.000 1.038 403 V CB -0.705 31.198 31.823 0.135 0.000 0.651 403 V HN 0.993 nan 8.190 nan 0.000 0.450 404 A N 0.653 123.557 122.820 0.140 0.000 1.908 404 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 404 A C 2.518 180.154 177.584 0.087 0.000 1.181 404 A CA 2.810 54.910 52.037 0.105 0.000 0.627 404 A CB -0.951 18.091 19.000 0.069 0.000 0.818 404 A HN 0.670 nan 8.150 nan 0.000 0.445 405 T N -3.479 111.117 114.554 0.069 0.000 2.809 405 T HA -0.113 4.237 4.350 -0.001 0.000 0.260 405 T C 1.749 176.415 174.700 -0.057 0.000 1.039 405 T CA 1.327 63.404 62.100 -0.039 0.000 1.141 405 T CB -0.617 68.190 68.868 -0.101 0.000 0.869 405 T HN 0.380 nan 8.240 nan 0.000 0.437 406 F N 2.578 122.523 119.950 -0.009 0.000 2.063 406 F HA -0.090 4.437 4.527 -0.001 0.000 0.298 406 F C 1.967 177.913 175.800 0.242 0.000 1.109 406 F CA 1.469 59.586 58.000 0.195 0.000 1.212 406 F CB -0.656 38.494 39.000 0.250 0.000 0.973 406 F HN 0.108 nan 8.300 nan 0.000 0.480 407 L N 0.094 121.320 121.223 0.005 0.000 2.083 407 L HA -0.206 4.133 4.340 -0.001 0.000 0.209 407 L C 2.798 179.643 176.870 -0.041 0.000 1.083 407 L CA 1.480 56.262 54.840 -0.097 0.000 0.752 407 L CB -1.010 41.093 42.059 0.074 0.000 0.899 407 L HN 0.416 nan 8.230 nan 0.000 0.433 408 S N -0.125 115.571 115.700 -0.006 0.000 2.383 408 S HA -0.166 4.304 4.470 -0.001 0.000 0.227 408 S C 2.036 176.678 174.600 0.070 0.000 1.026 408 S CA 0.613 58.855 58.200 0.070 0.000 0.981 408 S CB -0.328 62.946 63.200 0.123 0.000 0.818 408 S HN 0.369 nan 8.310 nan 0.000 0.472 409 R N -0.350 119.998 120.500 -0.254 0.000 2.280 409 R HA 0.198 4.537 4.340 -0.001 0.000 0.207 409 R C -0.617 175.527 176.300 -0.260 0.000 1.043 409 R CA 0.480 56.283 56.100 -0.495 0.000 1.006 409 R CB -0.133 29.533 30.300 -1.057 0.000 0.885 409 R HN 0.403 nan 8.270 nan 0.000 0.467 410 F N 0.480 120.425 119.950 -0.010 0.000 2.325 410 F HA 0.249 4.776 4.527 -0.001 0.000 0.369 410 F C 1.206 177.019 175.800 0.021 0.000 1.095 410 F CA -0.898 57.097 58.000 -0.008 0.000 1.082 410 F CB 1.443 40.275 39.000 -0.281 0.000 1.289 410 F HN -0.287 nan 8.300 nan 0.000 0.462 411 K N 1.457 122.013 120.400 0.260 0.000 2.097 411 K HA -0.062 4.257 4.320 -0.001 0.000 0.205 411 K C 0.447 177.129 176.600 0.135 0.000 1.050 411 K CA 1.178 57.570 56.287 0.175 0.000 0.938 411 K CB 0.238 32.833 32.500 0.158 0.000 0.718 411 K HN 0.632 nan 8.250 nan 0.000 0.442 412 S N -0.447 115.345 115.700 0.154 0.000 2.595 412 S HA 0.408 4.878 4.470 -0.001 0.000 0.281 412 S C -0.316 174.321 174.600 0.062 0.000 1.117 412 S CA -1.209 57.042 58.200 0.086 0.000 0.873 412 S CB 1.251 64.490 63.200 0.065 0.000 1.108 412 S HN 0.009 nan 8.310 nan 0.000 0.477 413 I N 2.581 123.120 120.570 -0.052 0.000 2.587 413 I HA 0.264 4.434 4.170 -0.001 0.000 0.284 413 I C -2.030 174.012 176.117 -0.125 0.000 1.134 413 I CA -1.602 59.573 61.300 -0.208 0.000 1.410 413 I CB -0.538 37.342 38.000 -0.200 0.000 1.392 413 I HN 0.516 nan 8.210 nan 0.000 0.545 414 P HA 0.054 nan 4.420 nan 0.000 0.272 414 P C -0.113 177.155 177.300 -0.053 0.000 1.240 414 P CA -0.390 62.684 63.100 -0.044 0.000 0.791 414 P CB 0.536 32.220 31.700 -0.027 0.000 0.978 415 S N 1.066 116.760 115.700 -0.009 0.000 2.510 415 S HA 0.249 4.719 4.470 -0.001 0.000 0.279 415 S C 0.822 175.414 174.600 -0.014 0.000 1.284 415 S CA -0.489 57.704 58.200 -0.012 0.000 1.059 415 S CB -0.980 62.222 63.200 0.003 0.000 0.901 415 S HN 0.436 nan 8.310 nan 0.000 0.491 416 I N 3.138 123.693 120.570 -0.026 0.000 4.160 416 I HA 0.331 4.501 4.170 -0.001 0.000 0.325 416 I C 1.111 177.213 176.117 -0.025 0.000 1.455 416 I CA -0.329 60.956 61.300 -0.024 0.000 1.142 416 I CB 0.128 38.106 38.000 -0.037 0.000 1.262 416 I HN 0.489 nan 8.210 nan 0.000 0.483 417 V N 2.309 122.205 119.914 -0.029 0.000 2.453 417 V HA -0.213 3.906 4.120 -0.001 0.000 0.252 417 V C 1.772 177.850 176.094 -0.028 0.000 1.068 417 V CA 2.449 64.725 62.300 -0.039 0.000 1.070 417 V CB -0.285 31.512 31.823 -0.042 0.000 0.664 417 V HN 0.620 nan 8.190 nan 0.000 0.461 418 E N -0.385 119.807 120.200 -0.014 0.000 2.499 418 E HA 0.202 4.551 4.350 -0.001 0.000 0.199 418 E C -0.039 176.561 176.600 -0.000 0.000 1.016 418 E CA -0.449 55.947 56.400 -0.007 0.000 0.933 418 E CB 0.649 30.349 29.700 -0.001 0.000 1.050 418 E HN 0.460 nan 8.360 nan 0.000 0.462 419 L N 1.098 122.320 121.223 -0.002 0.000 2.371 419 L HA 0.099 4.438 4.340 -0.001 0.000 0.272 419 L C 0.628 177.501 176.870 0.004 0.000 1.124 419 L CA 0.524 55.367 54.840 0.005 0.000 0.816 419 L CB 0.870 42.930 42.059 0.001 0.000 1.129 419 L HN -0.113 nan 8.230 nan 0.000 0.448 420 D N 0.628 121.034 120.400 0.010 0.000 2.431 420 D HA 0.115 4.754 4.640 -0.001 0.000 0.235 420 D C -0.134 176.174 176.300 0.013 0.000 0.980 420 D CA 1.003 55.009 54.000 0.011 0.000 0.912 420 D CB 0.486 41.293 40.800 0.013 0.000 1.056 420 D HN 0.570 nan 8.370 nan 0.000 0.494 421 S N -0.102 115.608 115.700 0.015 0.000 2.537 421 S HA 0.556 5.025 4.470 -0.001 0.000 0.271 421 S C -1.504 173.108 174.600 0.019 0.000 1.148 421 S CA -0.984 57.225 58.200 0.015 0.000 0.868 421 S CB 2.298 65.508 63.200 0.016 0.000 1.115 421 S HN 0.026 nan 8.310 nan 0.000 0.461 422 L N 1.447 122.679 121.223 0.014 0.000 2.410 422 L HA 0.798 5.137 4.340 -0.001 0.000 0.270 422 L C -0.925 175.954 176.870 0.015 0.000 0.983 422 L CA -0.296 54.558 54.840 0.023 0.000 0.822 422 L CB 1.820 43.887 42.059 0.013 0.000 1.285 422 L HN 0.986 nan 8.230 nan 0.000 0.409 423 K N 3.917 124.335 120.400 0.030 0.000 2.397 423 K HA 0.819 5.138 4.320 -0.001 0.000 0.253 423 K C -2.001 174.620 176.600 0.035 0.000 0.932 423 K CA -0.670 55.629 56.287 0.020 0.000 0.795 423 K CB 2.006 34.521 32.500 0.024 0.000 1.159 423 K HN 0.504 nan 8.250 nan 0.000 0.424 424 V N 3.036 122.956 119.914 0.009 0.000 2.577 424 V HA 0.468 4.588 4.120 -0.001 0.000 0.303 424 V C -0.904 175.225 176.094 0.059 0.000 1.042 424 V CA -0.671 61.652 62.300 0.039 0.000 0.872 424 V CB 1.673 33.481 31.823 -0.025 0.000 0.998 424 V HN 0.963 nan 8.190 nan 0.000 0.423 425 S N 2.678 118.433 115.700 0.092 0.000 2.595 425 S HA 0.996 5.465 4.470 -0.001 0.000 0.281 425 S C -0.027 174.637 174.600 0.107 0.000 1.117 425 S CA -0.050 58.212 58.200 0.103 0.000 0.873 425 S CB 1.975 65.215 63.200 0.068 0.000 1.108 425 S HN 2.318 nan 8.310 nan 0.000 0.477 426 G N 1.125 109.984 108.800 0.099 0.000 2.725 426 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.220 426 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.220 426 G C -0.867 174.071 174.900 0.064 0.000 1.357 426 G CA -0.006 45.137 45.100 0.072 0.000 0.866 426 G HN 1.117 nan 8.290 nan 0.000 0.548 427 D N 0.187 120.610 120.400 0.037 0.000 2.483 427 D HA 0.449 5.089 4.640 -0.001 0.000 0.220 427 D C 0.271 176.581 176.300 0.018 0.000 1.173 427 D CA -0.010 53.992 54.000 0.004 0.000 0.964 427 D CB 0.309 41.157 40.800 0.079 0.000 1.046 427 D HN 0.524 nan 8.370 nan 0.000 0.517 428 V N 3.887 123.750 119.914 -0.085 0.000 2.495 428 V HA 0.503 4.623 4.120 -0.001 0.000 0.298 428 V C -0.513 175.419 176.094 -0.270 0.000 1.031 428 V CA -0.807 61.465 62.300 -0.048 0.000 0.871 428 V CB 1.387 33.262 31.823 0.087 0.000 0.988 428 V HN 0.381 nan 8.190 nan 0.000 0.432 429 W N 3.576 124.777 121.300 -0.166 0.000 2.702 429 W HA 0.742 5.401 4.660 -0.001 0.000 0.331 429 W C -0.862 175.493 176.519 -0.273 0.000 1.049 429 W CA -0.583 56.674 57.345 -0.147 0.000 1.230 429 W CB 1.564 30.951 29.460 -0.120 0.000 1.408 429 W HN 0.328 nan 8.180 nan 0.000 0.492 430 F N 1.723 121.703 119.950 0.051 0.000 2.458 430 F HA 0.667 5.193 4.527 -0.001 0.000 0.336 430 F C 1.054 176.929 175.800 0.125 0.000 1.114 430 F CA -0.768 57.276 58.000 0.073 0.000 0.987 430 F CB 1.062 40.104 39.000 0.070 0.000 1.130 430 F HN 0.401 nan 8.300 nan 0.000 0.458 431 G N 0.697 109.642 108.800 0.242 0.000 2.553 431 G HA2 0.418 4.378 3.960 -0.001 0.000 0.278 431 G HA3 0.418 4.378 3.960 -0.001 0.000 0.278 431 G C -0.461 174.568 174.900 0.216 0.000 1.349 431 G CA -0.568 44.644 45.100 0.186 0.000 1.037 431 G HN 0.693 nan 8.290 nan 0.000 0.508 432 S N -2.161 113.626 115.700 0.146 0.000 2.610 432 S HA 0.471 4.940 4.470 -0.001 0.000 0.273 432 S C 0.548 175.213 174.600 0.108 0.000 1.274 432 S CA 0.457 58.731 58.200 0.124 0.000 1.023 432 S CB 1.421 64.672 63.200 0.086 0.000 0.962 432 S HN 1.352 nan 8.310 nan 0.000 0.523 433 S N -0.068 115.688 115.700 0.093 0.000 3.561 433 S HA -0.146 4.324 4.470 -0.001 0.000 0.318 433 S C 0.129 174.782 174.600 0.088 0.000 1.181 433 S CA 0.525 58.769 58.200 0.074 0.000 0.916 433 S CB -2.054 61.180 63.200 0.057 0.000 0.966 433 S HN 0.724 nan 8.310 nan 0.000 0.550 434 I N 1.149 121.795 120.570 0.128 0.000 2.638 434 I HA 0.270 4.440 4.170 -0.001 0.000 0.286 434 I C 0.478 176.659 176.117 0.108 0.000 1.088 434 I CA -0.220 61.169 61.300 0.148 0.000 1.397 434 I CB 0.943 39.100 38.000 0.261 0.000 1.414 434 I HN 0.018 nan 8.210 nan 0.000 0.566 435 V N 7.138 127.110 119.914 0.096 0.000 2.448 435 V HA 0.424 4.544 4.120 -0.001 0.000 0.295 435 V C -0.207 175.934 176.094 0.077 0.000 1.025 435 V CA -0.612 61.729 62.300 0.068 0.000 0.859 435 V CB 1.505 33.357 31.823 0.047 0.000 0.988 435 V HN 0.417 nan 8.190 nan 0.000 0.431 436 L N 5.303 126.564 121.223 0.064 0.000 2.322 436 L HA 0.679 5.019 4.340 -0.001 0.000 0.281 436 L C -0.214 176.679 176.870 0.039 0.000 1.014 436 L CA -0.539 54.340 54.840 0.065 0.000 0.815 436 L CB 1.740 43.839 42.059 0.067 0.000 1.247 436 L HN 0.554 nan 8.230 nan 0.000 0.421 437 K N 1.585 122.009 120.400 0.039 0.000 2.469 437 K HA 0.726 5.046 4.320 -0.001 0.000 0.254 437 K C 0.178 176.794 176.600 0.027 0.000 0.939 437 K CA -0.399 55.904 56.287 0.027 0.000 0.812 437 K CB 2.431 34.945 32.500 0.024 0.000 1.301 437 K HN 0.723 nan 8.250 nan 0.000 0.433 438 G N 2.195 111.007 108.800 0.020 0.000 2.566 438 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.280 438 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.280 438 G C -0.904 174.009 174.900 0.023 0.000 1.225 438 G CA -0.214 44.898 45.100 0.019 0.000 0.966 438 G HN 0.523 nan 8.290 nan 0.000 0.560 439 K N -0.120 120.295 120.400 0.024 0.000 2.240 439 K HA 0.611 4.931 4.320 -0.001 0.000 0.271 439 K C -0.687 175.934 176.600 0.035 0.000 1.018 439 K CA -0.545 55.758 56.287 0.027 0.000 0.874 439 K CB 2.250 34.764 32.500 0.023 0.000 1.098 439 K HN 0.421 nan 8.250 nan 0.000 0.458 440 V N 2.428 122.368 119.914 0.042 0.000 2.577 440 V HA 0.328 4.448 4.120 -0.001 0.000 0.303 440 V C -0.383 175.747 176.094 0.060 0.000 1.042 440 V CA -0.853 61.481 62.300 0.057 0.000 0.872 440 V CB 1.964 33.834 31.823 0.078 0.000 0.998 440 V HN 0.946 nan 8.190 nan 0.000 0.423 441 T N 1.618 116.205 114.554 0.056 0.000 2.841 441 T HA 0.799 5.148 4.350 -0.001 0.000 0.283 441 T C -0.862 173.876 174.700 0.064 0.000 1.000 441 T CA -0.747 61.387 62.100 0.057 0.000 0.977 441 T CB 1.773 70.666 68.868 0.042 0.000 0.979 441 T HN 0.315 nan 8.240 nan 0.000 0.446 442 V N 2.206 122.166 119.914 0.077 0.000 2.350 442 V HA 0.765 4.885 4.120 -0.001 0.000 0.285 442 V C 0.098 176.224 176.094 0.053 0.000 1.014 442 V CA -0.882 61.453 62.300 0.059 0.000 0.831 442 V CB 0.834 32.697 31.823 0.067 0.000 1.000 442 V HN 1.277 nan 8.190 nan 0.000 0.433 443 A N 4.150 126.993 122.820 0.038 0.000 2.363 443 A HA 0.874 5.194 4.320 -0.001 0.000 0.296 443 A C 0.092 177.696 177.584 0.033 0.000 1.237 443 A CA -0.318 51.743 52.037 0.040 0.000 0.773 443 A CB 1.007 20.029 19.000 0.035 0.000 1.153 443 A HN 1.183 nan 8.150 nan 0.000 0.473 444 A N 3.072 125.915 122.820 0.038 0.000 2.328 444 A HA 0.579 4.898 4.320 -0.001 0.000 0.284 444 A C 0.421 178.025 177.584 0.033 0.000 1.160 444 A CA -0.337 51.719 52.037 0.033 0.000 0.818 444 A CB 0.267 19.291 19.000 0.039 0.000 1.087 444 A HN 0.799 nan 8.150 nan 0.000 0.504 445 K N 0.940 121.356 120.400 0.027 0.000 2.120 445 K HA 0.258 4.578 4.320 -0.001 0.000 0.245 445 K C 0.740 177.355 176.600 0.025 0.000 1.024 445 K CA -0.125 56.177 56.287 0.024 0.000 0.906 445 K CB 0.569 33.080 32.500 0.019 0.000 1.051 445 K HN 0.709 nan 8.250 nan 0.000 0.491 446 S N 0.178 115.892 115.700 0.023 0.000 2.593 446 S HA 0.071 4.541 4.470 -0.001 0.000 0.300 446 S C 1.080 175.693 174.600 0.021 0.000 1.267 446 S CA 1.182 59.395 58.200 0.022 0.000 1.065 446 S CB -0.550 62.661 63.200 0.019 0.000 0.807 446 S HN 0.811 nan 8.310 nan 0.000 0.499 447 G N 2.837 111.651 108.800 0.023 0.000 2.184 447 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.264 447 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.264 447 G C 0.083 174.997 174.900 0.025 0.000 0.975 447 G CA 0.233 45.346 45.100 0.022 0.000 0.642 447 G HN 1.048 nan 8.290 nan 0.000 0.536 448 V N 1.211 121.142 119.914 0.029 0.000 2.394 448 V HA 0.490 4.610 4.120 -0.001 0.000 0.282 448 V C 0.601 176.724 176.094 0.048 0.000 1.031 448 V CA -0.603 61.715 62.300 0.030 0.000 0.881 448 V CB 1.738 33.576 31.823 0.024 0.000 0.982 448 V HN 0.350 nan 8.190 nan 0.000 0.451 449 K N 4.698 125.130 120.400 0.052 0.000 2.234 449 K HA 0.535 4.854 4.320 -0.001 0.000 0.277 449 K C -1.325 175.318 176.600 0.071 0.000 1.038 449 K CA -0.637 55.706 56.287 0.093 0.000 0.888 449 K CB 1.078 33.620 32.500 0.071 0.000 1.091 449 K HN 0.500 nan 8.250 nan 0.000 0.467 450 L N 4.345 125.626 121.223 0.097 0.000 2.325 450 L HA 0.380 4.720 4.340 -0.001 0.000 0.281 450 L C -1.286 175.606 176.870 0.037 0.000 1.004 450 L CA -0.028 54.834 54.840 0.036 0.000 0.823 450 L CB 1.574 43.635 42.059 0.004 0.000 1.236 450 L HN 0.655 nan 8.230 nan 0.000 0.415 451 E N 6.062 126.259 120.200 -0.005 0.000 2.176 451 E HA 0.415 4.765 4.350 -0.001 0.000 0.267 451 E C -0.935 175.613 176.600 -0.086 0.000 0.893 451 E CA -0.819 55.570 56.400 -0.019 0.000 0.761 451 E CB 2.001 31.690 29.700 -0.018 0.000 1.133 451 E HN 0.417 nan 8.360 nan 0.000 0.409 452 I N 4.923 125.388 120.570 -0.175 0.000 2.337 452 I HA 0.193 4.362 4.170 -0.001 0.000 0.291 452 I C -1.946 174.155 176.117 -0.028 0.000 1.046 452 I CA -2.804 58.408 61.300 -0.147 0.000 1.324 452 I CB -0.333 37.486 38.000 -0.302 0.000 1.409 452 I HN 0.233 nan 8.210 nan 0.000 0.494 453 P HA 0.102 nan 4.420 nan 0.000 0.274 453 P C -0.506 176.824 177.300 0.050 0.000 1.237 453 P CA -0.427 62.685 63.100 0.019 0.000 0.793 453 P CB 0.739 32.444 31.700 0.009 0.000 0.977 454 D N 1.885 122.316 120.400 0.053 0.000 2.548 454 D HA -0.072 4.568 4.640 -0.001 0.000 0.231 454 D C 1.108 177.444 176.300 0.059 0.000 1.142 454 D CA 0.664 54.703 54.000 0.066 0.000 0.866 454 D CB -0.022 40.808 40.800 0.050 0.000 1.190 454 D HN 0.421 nan 8.370 nan 0.000 0.469 455 R N -0.829 119.713 120.500 0.070 0.000 3.994 455 R HA -0.207 4.133 4.340 -0.001 0.000 0.403 455 R C 0.171 176.507 176.300 0.061 0.000 1.126 455 R CA 0.873 57.009 56.100 0.060 0.000 1.143 455 R CB -1.979 28.347 30.300 0.043 0.000 1.695 455 R HN 0.535 nan 8.270 nan 0.000 0.555 456 A N 1.020 123.883 122.820 0.072 0.000 2.531 456 A HA 0.351 4.670 4.320 -0.001 0.000 0.236 456 A C 0.571 178.201 177.584 0.075 0.000 1.062 456 A CA 0.276 52.353 52.037 0.068 0.000 0.760 456 A CB 0.527 19.570 19.000 0.072 0.000 0.995 456 A HN 0.081 nan 8.150 nan 0.000 0.501 457 V N 3.836 123.786 119.914 0.060 0.000 2.357 457 V HA 0.377 4.496 4.120 -0.001 0.000 0.284 457 V C -0.377 175.751 176.094 0.058 0.000 1.018 457 V CA -0.405 61.930 62.300 0.059 0.000 0.841 457 V CB 1.351 33.199 31.823 0.043 0.000 0.991 457 V HN 0.613 nan 8.190 nan 0.000 0.437 458 V N 4.725 124.682 119.914 0.072 0.000 2.350 458 V HA 0.517 4.636 4.120 -0.001 0.000 0.285 458 V C -0.176 175.954 176.094 0.059 0.000 1.014 458 V CA -0.491 61.851 62.300 0.069 0.000 0.831 458 V CB 1.498 33.378 31.823 0.095 0.000 1.000 458 V HN 0.963 nan 8.190 nan 0.000 0.433 459 E N 4.522 124.749 120.200 0.045 0.000 2.224 459 E HA 0.378 4.728 4.350 -0.001 0.000 0.265 459 E C -0.323 176.297 176.600 0.032 0.000 0.878 459 E CA -0.700 55.722 56.400 0.037 0.000 0.759 459 E CB 0.935 30.653 29.700 0.030 0.000 1.164 459 E HN 0.643 nan 8.360 nan 0.000 0.414 460 N N 3.221 121.940 118.700 0.031 0.000 2.686 460 N HA -0.234 4.505 4.740 -0.001 0.000 0.261 460 N C -1.231 174.295 175.510 0.027 0.000 1.001 460 N CA 1.249 54.316 53.050 0.027 0.000 0.764 460 N CB -0.644 37.856 38.487 0.022 0.000 0.898 460 N HN 0.584 nan 8.380 nan 0.000 0.544 461 K N 0.388 120.807 120.400 0.032 0.000 2.502 461 K HA 0.380 4.700 4.320 -0.001 0.000 0.257 461 K C -1.385 175.235 176.600 0.034 0.000 0.938 461 K CA -0.694 55.612 56.287 0.031 0.000 0.819 461 K CB 1.219 33.738 32.500 0.033 0.000 1.333 461 K HN -0.062 nan 8.250 nan 0.000 0.434 462 N N 3.144 121.861 118.700 0.028 0.000 2.446 462 N HA 0.394 5.133 4.740 -0.001 0.000 0.265 462 N C -1.130 174.395 175.510 0.025 0.000 0.975 462 N CA -0.331 52.737 53.050 0.029 0.000 0.928 462 N CB 1.098 39.600 38.487 0.024 0.000 1.160 462 N HN 0.463 nan 8.380 nan 0.000 0.495 463 I N 2.128 122.714 120.570 0.026 0.000 2.337 463 I HA 0.231 4.401 4.170 -0.001 0.000 0.285 463 I C 0.744 176.870 176.117 0.015 0.000 1.041 463 I CA -0.309 61.001 61.300 0.017 0.000 1.199 463 I CB 0.586 38.592 38.000 0.010 0.000 1.370 463 I HN 0.327 nan 8.210 nan 0.000 0.470 464 N N 4.887 123.595 118.700 0.013 0.000 2.270 464 N HA 0.256 4.996 4.740 -0.001 0.000 0.198 464 N C 0.373 175.890 175.510 0.011 0.000 1.117 464 N CA 0.046 53.105 53.050 0.014 0.000 0.845 464 N CB 1.409 39.905 38.487 0.015 0.000 0.980 464 N HN 0.823 nan 8.380 nan 0.000 0.486 465 G N 0.347 109.151 108.800 0.006 0.000 2.321 465 G HA2 0.041 4.001 3.960 -0.001 0.000 0.298 465 G HA3 0.041 4.001 3.960 -0.001 0.000 0.298 465 G C -2.445 172.455 174.900 -0.001 0.000 1.385 465 G CA -0.609 44.493 45.100 0.004 0.000 0.856 465 G HN -0.254 nan 8.290 nan 0.000 0.584 466 P HA -0.106 nan 4.420 nan 0.000 0.219 466 P C 1.375 178.672 177.300 -0.005 0.000 1.146 466 P CA 1.820 64.915 63.100 -0.007 0.000 0.808 466 P CB 0.032 31.728 31.700 -0.007 0.000 0.779 467 E N 0.035 120.235 120.200 -0.001 0.000 2.114 467 E HA -0.169 4.180 4.350 -0.001 0.000 0.199 467 E C 0.768 177.369 176.600 0.002 0.000 1.008 467 E CA 0.933 57.333 56.400 0.001 0.000 0.810 467 E CB -0.767 28.934 29.700 0.003 0.000 0.739 467 E HN 0.325 nan 8.360 nan 0.000 0.456 468 D N 0.000 120.401 120.400 0.002 0.000 6.856 468 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 468 D CA 0.000 54.003 54.000 0.005 0.000 0.868 468 D CB 0.000 40.804 40.800 0.007 0.000 0.688 468 D HN 0.000 nan 8.370 nan 0.000 0.683