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 3al0_1_C DATA FIRST_RESID 3 DATA SEQUENCE KVTKDLVLHL ENLARLELSE DQRESLMKDF QEILDYVELL NEVDVEGVEP DATA SEQUENCE MYTPVEDSAK LRKGDPRFFE MRDLIKKNFP EEKDGHIKVP GIXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXPKKI RRCFELVRVR FAPSPTGHLH VGGARTALFN DATA SEQUENCE WMFARKEGGK FILRIEDTDT ERSSREYEQQ ILESLRWCGL DWDEGPDIGG DATA SEQUENCE DFGPYRQSER LEIYREYAEK LVEDKRAYYV VYDKEDPSKE LFTTYEYPHE DATA SEQUENCE YKEKGHPVTI KFKVLPGKTS FEDLLKGYME FDNSTLEDFI IMKSNGFPTY DATA SEQUENCE NFAVVVDDHL MRISHVFRGE DHLSNTPKQL MIYEAFGWEA PVFMHIPLIL DATA SEQUENCE GSDRTPLSKR HGATSVEHFR REGILSRALM NYLALLGWRV EGDEIFTIEE DATA SEQUENCE KLQSFDPKDI SNKGVIFDYQ KLEWVNGKHM RRIDLEDLKR EFIEWAKYAG DATA SEQUENCE KEIPSVDERY FSETLRICRE KVNTLSQLYD IMYPFMNDDY EYEKDYVEKF DATA SEQUENCE LKREEAERVL EEAKKAFKDL NSWNMEEIEK TLRDLSEKGL ASKKVVFQLI DATA SEQUENCE RGAVTGKLVT PGLFETIEVL GKERTLKRLE RTLQFLKK 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.646 176.600 0.076 0.000 0.988 3 K CA 0.000 56.324 56.287 0.061 0.000 0.838 3 K CB 0.000 32.528 32.500 0.046 0.000 1.064 4 V N -0.147 119.808 119.914 0.068 0.000 3.625 4 V HA 0.334 4.474 4.120 0.034 0.000 0.234 4 V C -1.785 174.326 176.094 0.028 0.000 1.619 4 V CA 0.363 62.701 62.300 0.064 0.000 0.966 4 V CB 0.804 32.662 31.823 0.058 0.000 1.056 4 V HN 0.190 nan 8.190 nan 0.000 0.505 5 T N 4.707 119.263 114.554 0.005 0.000 2.716 5 T HA 0.575 4.946 4.350 0.034 0.000 0.286 5 T C 0.017 174.692 174.700 -0.041 0.000 1.052 5 T CA 0.158 62.249 62.100 -0.015 0.000 1.024 5 T CB 2.218 71.077 68.868 -0.014 0.000 1.349 5 T HN 0.700 nan 8.240 nan 0.000 0.525 6 K N 0.015 120.392 120.400 -0.037 0.000 2.474 6 K HA 0.175 4.515 4.320 0.034 0.000 0.204 6 K C 0.623 177.198 176.600 -0.043 0.000 1.220 6 K CA 0.592 56.853 56.287 -0.043 0.000 0.966 6 K CB 0.191 32.675 32.500 -0.027 0.000 1.049 6 K HN 0.454 nan 8.250 nan 0.000 0.554 7 D N 1.147 121.527 120.400 -0.032 0.000 2.194 7 D HA -0.076 4.584 4.640 0.034 0.000 0.204 7 D C 1.565 177.852 176.300 -0.021 0.000 0.964 7 D CA 0.398 54.385 54.000 -0.022 0.000 0.846 7 D CB 0.118 40.909 40.800 -0.015 0.000 0.962 7 D HN -0.004 nan 8.370 nan 0.000 0.490 8 L N 0.436 121.635 121.223 -0.040 0.000 2.270 8 L HA -0.159 4.202 4.340 0.034 0.000 0.217 8 L C 2.166 179.000 176.870 -0.061 0.000 1.107 8 L CA 0.901 55.714 54.840 -0.045 0.000 0.772 8 L CB -0.604 41.389 42.059 -0.110 0.000 0.902 8 L HN 0.014 nan 8.230 nan 0.000 0.439 9 V N -0.854 119.016 119.914 -0.074 0.000 2.282 9 V HA -0.332 3.809 4.120 0.034 0.000 0.249 9 V C 2.327 178.403 176.094 -0.031 0.000 1.057 9 V CA 1.950 64.210 62.300 -0.066 0.000 1.032 9 V CB -0.246 31.542 31.823 -0.059 0.000 0.645 9 V HN 0.404 nan 8.190 nan 0.000 0.447 10 L N -0.559 120.661 121.223 -0.004 0.000 1.910 10 L HA -0.266 4.095 4.340 0.034 0.000 0.221 10 L C 2.533 179.426 176.870 0.039 0.000 1.084 10 L CA 2.248 57.100 54.840 0.020 0.000 0.779 10 L CB -0.809 41.273 42.059 0.038 0.000 0.888 10 L HN 0.390 nan 8.230 nan 0.000 0.432 11 H N -1.024 118.029 119.070 -0.027 0.000 2.554 11 H HA -0.158 4.419 4.556 0.035 0.000 0.290 11 H C 1.576 176.893 175.328 -0.018 0.000 1.058 11 H CA 1.275 57.311 56.048 -0.019 0.000 1.224 11 H CB 0.456 30.209 29.762 -0.015 0.000 1.359 11 H HN 0.238 nan 8.280 nan 0.000 0.589 12 L N 0.084 121.285 121.223 -0.036 0.000 2.590 12 L HA 0.023 4.384 4.340 0.034 0.000 0.181 12 L C 2.457 179.288 176.870 -0.065 0.000 1.134 12 L CA 1.101 55.901 54.840 -0.066 0.000 0.850 12 L CB -0.382 41.650 42.059 -0.046 0.000 1.172 12 L HN 0.263 nan 8.230 nan 0.000 0.498 13 E N -1.260 118.907 120.200 -0.054 0.000 2.472 13 E HA -0.191 4.180 4.350 0.034 0.000 0.200 13 E C 0.938 177.513 176.600 -0.041 0.000 1.046 13 E CA 0.905 57.279 56.400 -0.043 0.000 0.871 13 E CB -0.230 29.445 29.700 -0.040 0.000 0.806 13 E HN 0.357 nan 8.360 nan 0.000 0.533 14 N N 0.311 118.979 118.700 -0.053 0.000 2.415 14 N HA 0.086 4.847 4.740 0.034 0.000 0.176 14 N C 1.479 176.944 175.510 -0.075 0.000 1.042 14 N CA 0.332 53.350 53.050 -0.053 0.000 0.902 14 N CB 0.175 38.635 38.487 -0.044 0.000 0.986 14 N HN 0.262 nan 8.380 nan 0.000 0.447 15 L N -0.411 120.749 121.223 -0.105 0.000 2.249 15 L HA 0.186 4.547 4.340 0.034 0.000 0.207 15 L C 1.274 178.104 176.870 -0.067 0.000 1.090 15 L CA 0.500 55.270 54.840 -0.117 0.000 0.802 15 L CB -0.001 41.949 42.059 -0.183 0.000 0.947 15 L HN 0.022 nan 8.230 nan 0.000 0.453 16 A N -0.852 121.939 122.820 -0.048 0.000 2.415 16 A HA 0.126 4.467 4.320 0.034 0.000 0.248 16 A C 0.184 177.754 177.584 -0.023 0.000 1.299 16 A CA -0.417 51.603 52.037 -0.027 0.000 0.899 16 A CB -0.117 18.875 19.000 -0.013 0.000 0.997 16 A HN 0.265 nan 8.150 nan 0.000 0.506 17 R N -0.803 119.679 120.500 -0.030 0.000 2.879 17 R HA -0.179 4.182 4.340 0.034 0.000 0.241 17 R C -0.909 175.380 176.300 -0.017 0.000 0.845 17 R CA 0.633 56.719 56.100 -0.024 0.000 0.599 17 R CB -2.209 28.078 30.300 -0.021 0.000 1.213 17 R HN 0.559 nan 8.270 nan 0.000 0.510 18 L N 0.825 122.038 121.223 -0.017 0.000 2.388 18 L HA 0.254 4.615 4.340 0.034 0.000 0.267 18 L C 0.945 177.808 176.870 -0.013 0.000 0.995 18 L CA -0.424 54.410 54.840 -0.012 0.000 0.864 18 L CB 1.479 43.534 42.059 -0.007 0.000 1.216 18 L HN 0.321 nan 8.230 nan 0.000 0.430 19 E N 3.731 123.925 120.200 -0.010 0.000 2.447 19 E HA 0.183 4.554 4.350 0.034 0.000 0.259 19 E C -0.884 175.710 176.600 -0.009 0.000 1.196 19 E CA 0.042 56.436 56.400 -0.010 0.000 0.995 19 E CB 0.730 30.425 29.700 -0.008 0.000 0.974 19 E HN 0.535 nan 8.360 nan 0.000 0.465 20 L N 2.602 123.819 121.223 -0.010 0.000 2.367 20 L HA 0.116 4.477 4.340 0.034 0.000 0.263 20 L C -0.638 176.227 176.870 -0.008 0.000 1.473 20 L CA -0.472 54.362 54.840 -0.009 0.000 0.807 20 L CB 1.258 43.309 42.059 -0.014 0.000 0.968 20 L HN 0.424 nan 8.230 nan 0.000 0.520 21 S N 0.349 116.046 115.700 -0.005 0.000 2.631 21 S HA -0.143 4.348 4.470 0.034 0.000 0.311 21 S C 1.371 175.969 174.600 -0.004 0.000 1.254 21 S CA 0.314 58.511 58.200 -0.004 0.000 1.039 21 S CB 0.685 63.884 63.200 -0.002 0.000 0.753 21 S HN 0.572 nan 8.310 nan 0.000 0.494 22 E N 1.562 121.759 120.200 -0.005 0.000 2.301 22 E HA -0.241 4.130 4.350 0.034 0.000 0.202 22 E C 1.255 177.853 176.600 -0.003 0.000 1.017 22 E CA 1.721 58.118 56.400 -0.005 0.000 0.831 22 E CB -0.012 29.686 29.700 -0.004 0.000 0.742 22 E HN 0.566 nan 8.360 nan 0.000 0.491 23 D N 0.715 121.114 120.400 -0.001 0.000 2.096 23 D HA -0.190 4.471 4.640 0.034 0.000 0.200 23 D C 1.668 177.969 176.300 0.001 0.000 0.980 23 D CA 1.193 55.193 54.000 0.001 0.000 0.860 23 D CB -0.790 40.011 40.800 0.002 0.000 1.005 23 D HN 0.337 nan 8.370 nan 0.000 0.449 24 Q N 1.409 121.210 119.800 0.002 0.000 2.408 24 Q HA 0.016 4.376 4.340 0.034 0.000 0.214 24 Q C 1.269 177.269 176.000 0.001 0.000 0.957 24 Q CA 0.177 55.983 55.803 0.005 0.000 0.965 24 Q CB 0.051 28.794 28.738 0.008 0.000 0.991 24 Q HN 0.261 nan 8.270 nan 0.000 0.505 25 R N 1.303 121.800 120.500 -0.005 0.000 2.190 25 R HA -0.103 4.258 4.340 0.034 0.000 0.209 25 R C 1.390 177.682 176.300 -0.014 0.000 1.100 25 R CA 1.572 57.664 56.100 -0.013 0.000 0.887 25 R CB -0.236 30.056 30.300 -0.014 0.000 0.767 25 R HN 0.251 nan 8.270 nan 0.000 0.466 26 E N 0.834 121.028 120.200 -0.010 0.000 2.501 26 E HA -0.094 4.277 4.350 0.034 0.000 0.203 26 E C 1.663 178.267 176.600 0.006 0.000 1.072 26 E CA 0.782 57.178 56.400 -0.006 0.000 0.885 26 E CB -0.045 29.654 29.700 -0.003 0.000 0.813 26 E HN 0.271 nan 8.360 nan 0.000 0.556 27 S N 0.094 115.799 115.700 0.009 0.000 2.357 27 S HA -0.096 4.394 4.470 0.034 0.000 0.221 27 S C 1.668 176.288 174.600 0.034 0.000 1.031 27 S CA 0.502 58.714 58.200 0.020 0.000 0.982 27 S CB -0.234 62.976 63.200 0.017 0.000 0.853 27 S HN 0.228 nan 8.310 nan 0.000 0.458 28 L N 2.509 123.750 121.223 0.030 0.000 1.943 28 L HA -0.053 4.307 4.340 0.034 0.000 0.215 28 L C 2.223 179.147 176.870 0.091 0.000 1.074 28 L CA 1.861 56.736 54.840 0.058 0.000 0.759 28 L CB -1.125 40.947 42.059 0.022 0.000 0.888 28 L HN 0.258 nan 8.230 nan 0.000 0.433 29 M N -0.558 119.057 119.600 0.024 0.000 2.240 29 M HA -0.371 4.130 4.480 0.034 0.000 0.250 29 M C 2.261 178.636 176.300 0.126 0.000 1.075 29 M CA 2.271 57.594 55.300 0.040 0.000 1.072 29 M CB -0.826 31.765 32.600 -0.016 0.000 1.305 29 M HN 0.350 nan 8.290 nan 0.000 0.414 30 K N 1.142 121.593 120.400 0.084 0.000 1.990 30 K HA -0.243 4.098 4.320 0.034 0.000 0.225 30 K C 1.165 177.827 176.600 0.103 0.000 1.053 30 K CA 2.694 59.028 56.287 0.078 0.000 0.982 30 K CB -0.774 31.758 32.500 0.053 0.000 0.734 30 K HN 0.547 nan 8.250 nan 0.000 0.448 31 D N -0.811 119.651 120.400 0.104 0.000 2.363 31 D HA -0.095 4.565 4.640 0.034 0.000 0.226 31 D C 1.692 178.066 176.300 0.123 0.000 1.020 31 D CA 0.206 54.262 54.000 0.092 0.000 0.892 31 D CB -0.516 40.323 40.800 0.065 0.000 0.900 31 D HN 0.235 nan 8.370 nan 0.000 0.531 32 F N 0.949 120.913 119.950 0.023 0.000 2.335 32 F HA 0.027 4.575 4.527 0.034 0.000 0.296 32 F C 2.149 177.964 175.800 0.026 0.000 1.091 32 F CA 0.745 58.758 58.000 0.023 0.000 1.399 32 F CB 0.116 39.127 39.000 0.018 0.000 1.067 32 F HN -0.184 nan 8.300 nan 0.000 0.520 33 Q N 1.008 120.998 119.800 0.316 0.000 1.990 33 Q HA -0.193 4.168 4.340 0.034 0.000 0.200 33 Q C 2.129 178.183 176.000 0.090 0.000 0.980 33 Q CA 2.190 58.118 55.803 0.209 0.000 0.832 33 Q CB -0.418 28.411 28.738 0.151 0.000 0.897 33 Q HN 0.551 nan 8.270 nan 0.000 0.427 34 E N 0.252 120.496 120.200 0.072 0.000 2.065 34 E HA -0.228 4.143 4.350 0.034 0.000 0.201 34 E C 2.084 178.706 176.600 0.038 0.000 1.016 34 E CA 1.301 57.731 56.400 0.050 0.000 0.818 34 E CB -0.280 29.446 29.700 0.043 0.000 0.749 34 E HN 0.195 nan 8.360 nan 0.000 0.453 35 I N 1.161 121.724 120.570 -0.012 0.000 2.208 35 I HA -0.257 3.934 4.170 0.034 0.000 0.245 35 I C 2.197 178.232 176.117 -0.138 0.000 1.097 35 I CA 0.968 62.225 61.300 -0.073 0.000 1.363 35 I CB -0.208 37.684 38.000 -0.181 0.000 1.051 35 I HN 0.210 nan 8.210 nan 0.000 0.413 36 L N -0.105 120.992 121.223 -0.209 0.000 2.017 36 L HA -0.246 4.115 4.340 0.034 0.000 0.208 36 L C 2.000 178.844 176.870 -0.045 0.000 1.073 36 L CA 2.154 56.892 54.840 -0.170 0.000 0.745 36 L CB -1.316 40.692 42.059 -0.085 0.000 0.894 36 L HN 0.246 nan 8.230 nan 0.000 0.432 37 D N -0.636 119.773 120.400 0.015 0.000 2.092 37 D HA -0.271 4.390 4.640 0.034 0.000 0.193 37 D C 2.072 178.433 176.300 0.101 0.000 0.994 37 D CA 1.456 55.487 54.000 0.053 0.000 0.828 37 D CB -0.521 40.315 40.800 0.060 0.000 0.963 37 D HN 0.431 nan 8.370 nan 0.000 0.450 38 Y N 1.733 122.012 120.300 -0.037 0.000 2.139 38 Y HA -0.227 4.344 4.550 0.035 0.000 0.282 38 Y C 2.225 178.105 175.900 -0.034 0.000 1.179 38 Y CA 0.748 58.828 58.100 -0.033 0.000 1.161 38 Y CB -0.939 37.498 38.460 -0.038 0.000 0.970 38 Y HN -0.116 nan 8.280 nan 0.000 0.511 39 V N 1.228 121.046 119.914 -0.160 0.000 2.469 39 V HA -0.238 3.903 4.120 0.034 0.000 0.251 39 V C 2.170 178.199 176.094 -0.108 0.000 1.064 39 V CA 2.325 64.469 62.300 -0.259 0.000 1.066 39 V CB -0.465 31.233 31.823 -0.210 0.000 0.667 39 V HN 0.410 nan 8.190 nan 0.000 0.461 40 E N 0.163 120.347 120.200 -0.027 0.000 2.284 40 E HA -0.205 4.165 4.350 0.034 0.000 0.200 40 E C 1.648 178.256 176.600 0.014 0.000 1.008 40 E CA 0.905 57.306 56.400 0.001 0.000 0.829 40 E CB -0.493 29.221 29.700 0.024 0.000 0.744 40 E HN 0.555 nan 8.360 nan 0.000 0.491 41 L N 1.079 122.326 121.223 0.041 0.000 2.949 41 L HA -0.062 4.299 4.340 0.034 0.000 0.263 41 L C 1.507 178.384 176.870 0.011 0.000 1.190 41 L CA -0.139 54.738 54.840 0.061 0.000 1.022 41 L CB -0.145 42.017 42.059 0.171 0.000 1.313 41 L HN 0.056 nan 8.230 nan 0.000 0.413 42 L N -0.822 120.392 121.223 -0.016 0.000 2.547 42 L HA 0.109 4.470 4.340 0.034 0.000 0.218 42 L C 1.761 178.625 176.870 -0.011 0.000 1.048 42 L CA 0.560 55.384 54.840 -0.026 0.000 0.859 42 L CB -0.515 41.514 42.059 -0.049 0.000 1.128 42 L HN 0.309 nan 8.230 nan 0.000 0.483 43 N N 1.586 120.283 118.700 -0.005 0.000 2.484 43 N HA -0.206 4.555 4.740 0.034 0.000 0.193 43 N C 0.284 175.795 175.510 0.002 0.000 1.033 43 N CA 0.764 53.813 53.050 -0.001 0.000 0.906 43 N CB -0.268 38.222 38.487 0.004 0.000 0.947 43 N HN 0.531 nan 8.380 nan 0.000 0.448 44 E N 0.631 120.833 120.200 0.004 0.000 2.122 44 E HA 0.214 4.585 4.350 0.034 0.000 0.288 44 E C 0.194 176.796 176.600 0.003 0.000 1.260 44 E CA -0.393 56.010 56.400 0.005 0.000 1.344 44 E CB 0.198 29.904 29.700 0.010 0.000 1.337 44 E HN 0.111 nan 8.360 nan 0.000 0.484 45 V N -2.353 117.561 119.914 0.001 0.000 3.329 45 V HA 0.500 4.641 4.120 0.034 0.000 0.308 45 V C -1.132 174.962 176.094 -0.000 0.000 1.375 45 V CA -1.228 61.072 62.300 -0.001 0.000 1.015 45 V CB 1.854 33.675 31.823 -0.004 0.000 1.155 45 V HN 0.103 nan 8.190 nan 0.000 0.479 46 D N -0.895 119.505 120.400 -0.001 0.000 2.441 46 D HA 0.487 5.148 4.640 0.034 0.000 0.231 46 D C -0.071 176.228 176.300 -0.001 0.000 1.073 46 D CA -0.161 53.838 54.000 -0.000 0.000 0.850 46 D CB 1.790 42.590 40.800 0.000 0.000 1.062 46 D HN 0.570 nan 8.370 nan 0.000 0.524 47 V N 3.464 123.377 119.914 -0.001 0.000 3.577 47 V HA 0.248 4.388 4.120 0.034 0.000 0.294 47 V C -0.224 175.868 176.094 -0.002 0.000 1.317 47 V CA 0.749 63.047 62.300 -0.002 0.000 1.169 47 V CB -0.740 31.082 31.823 -0.001 0.000 1.011 47 V HN 0.521 nan 8.190 nan 0.000 0.426 48 E N -0.464 119.735 120.200 -0.002 0.000 2.393 48 E HA 0.569 4.939 4.350 0.034 0.000 0.273 48 E C 0.190 176.789 176.600 -0.002 0.000 0.918 48 E CA -0.603 55.796 56.400 -0.002 0.000 0.773 48 E CB 1.639 31.338 29.700 -0.001 0.000 1.275 48 E HN 0.240 nan 8.360 nan 0.000 0.451 49 G N 0.623 109.421 108.800 -0.002 0.000 2.580 49 G HA2 -0.025 3.956 3.960 0.034 0.000 0.289 49 G HA3 -0.025 3.956 3.960 0.034 0.000 0.289 49 G C -0.023 174.877 174.900 -0.000 0.000 0.118 49 G CA 0.842 45.941 45.100 -0.002 0.000 1.158 49 G HN 0.677 nan 8.290 nan 0.000 0.544 50 V N -0.362 119.552 119.914 -0.000 0.000 3.566 50 V HA 0.305 4.446 4.120 0.034 0.000 0.254 50 V C 0.056 176.151 176.094 0.003 0.000 0.864 50 V CA -1.232 61.069 62.300 0.002 0.000 1.124 50 V CB 0.516 32.340 31.823 0.001 0.000 0.884 50 V HN 0.722 nan 8.190 nan 0.000 0.504 51 E N 5.269 125.471 120.200 0.004 0.000 2.606 51 E HA 0.153 4.524 4.350 0.034 0.000 0.248 51 E C -1.512 175.097 176.600 0.014 0.000 1.005 51 E CA -0.678 55.725 56.400 0.006 0.000 0.946 51 E CB 0.995 30.700 29.700 0.008 0.000 0.928 51 E HN 0.689 nan 8.360 nan 0.000 0.494 52 P HA -0.002 nan 4.420 nan 0.000 0.271 52 P C -0.591 176.747 177.300 0.063 0.000 1.244 52 P CA 0.012 63.127 63.100 0.026 0.000 0.793 52 P CB 0.596 32.301 31.700 0.009 0.000 0.984 53 M N 2.349 122.001 119.600 0.086 0.000 2.142 53 M HA 0.220 4.720 4.480 0.034 0.000 0.299 53 M C -0.203 176.216 176.300 0.197 0.000 0.960 53 M CA -0.724 54.659 55.300 0.139 0.000 0.920 53 M CB 1.360 34.002 32.600 0.071 0.000 1.541 53 M HN 0.529 nan 8.290 nan 0.000 0.429 54 Y N 1.536 121.832 120.300 -0.007 0.000 2.498 54 Y HA 0.458 5.029 4.550 0.034 0.000 0.259 54 Y C 0.223 176.118 175.900 -0.007 0.000 1.086 54 Y CA -0.192 57.903 58.100 -0.007 0.000 1.287 54 Y CB 0.589 39.045 38.460 -0.007 0.000 1.146 54 Y HN 0.529 nan 8.280 nan 0.000 0.523 55 T N 1.337 115.651 114.554 -0.401 0.000 2.933 55 T HA 0.443 4.814 4.350 0.034 0.000 0.305 55 T C -2.413 172.178 174.700 -0.183 0.000 1.092 55 T CA -1.660 60.199 62.100 -0.403 0.000 1.008 55 T CB 1.528 69.991 68.868 -0.674 0.000 1.102 55 T HN -0.071 nan 8.240 nan 0.000 0.469 56 P HA 0.191 nan 4.420 nan 0.000 0.224 56 P C 0.534 177.793 177.300 -0.069 0.000 1.268 56 P CA 1.141 64.199 63.100 -0.069 0.000 0.686 56 P CB -0.426 31.239 31.700 -0.058 0.000 0.830 57 V N -4.539 115.342 119.914 -0.055 0.000 3.833 57 V HA -0.193 3.948 4.120 0.034 0.000 0.545 57 V C -0.493 175.586 176.094 -0.025 0.000 0.683 57 V CA 0.410 62.683 62.300 -0.045 0.000 2.113 57 V CB -1.713 30.072 31.823 -0.063 0.000 2.499 57 V HN 0.711 nan 8.190 nan 0.000 0.521 58 E N 1.589 121.778 120.200 -0.019 0.000 2.141 58 E HA 0.380 4.750 4.350 0.034 0.000 0.259 58 E C -0.472 176.128 176.600 -0.001 0.000 0.883 58 E CA -0.098 56.298 56.400 -0.007 0.000 0.744 58 E CB 1.270 30.968 29.700 -0.005 0.000 1.150 58 E HN 0.965 nan 8.360 nan 0.000 0.420 59 D N 3.777 124.183 120.400 0.010 0.000 2.422 59 D HA -0.044 4.617 4.640 0.034 0.000 0.263 59 D C 0.063 176.376 176.300 0.023 0.000 1.334 59 D CA 0.154 54.169 54.000 0.025 0.000 1.105 59 D CB 0.261 41.092 40.800 0.051 0.000 1.107 59 D HN 0.420 nan 8.370 nan 0.000 0.522 60 S N 1.081 116.791 115.700 0.016 0.000 3.728 60 S HA 0.792 5.282 4.470 0.034 0.000 0.253 60 S C 0.531 175.141 174.600 0.018 0.000 1.032 60 S CA -0.013 58.196 58.200 0.015 0.000 1.323 60 S CB 1.477 64.682 63.200 0.008 0.000 1.223 60 S HN 0.487 nan 8.310 nan 0.000 0.728 61 A N -0.430 122.398 122.820 0.012 0.000 1.519 61 A HA 0.498 4.839 4.320 0.034 0.000 0.210 61 A C -0.535 177.052 177.584 0.005 0.000 1.889 61 A CA 0.200 52.244 52.037 0.012 0.000 1.478 61 A CB -0.687 18.323 19.000 0.017 0.000 1.432 61 A HN 0.732 nan 8.150 nan 0.000 0.340 62 K N 0.209 120.612 120.400 0.004 0.000 5.728 62 K HA -0.145 4.195 4.320 0.034 0.000 0.427 62 K C -1.263 175.338 176.600 0.002 0.000 1.056 62 K CA 0.768 57.056 56.287 0.002 0.000 1.274 62 K CB -1.698 30.802 32.500 -0.000 0.000 1.831 62 K HN 0.534 nan 8.250 nan 0.000 0.384 63 L N 0.105 121.329 121.223 0.002 0.000 2.317 63 L HA 0.511 4.871 4.340 0.034 0.000 0.281 63 L C 0.626 177.496 176.870 -0.000 0.000 1.024 63 L CA -0.889 53.952 54.840 0.002 0.000 0.810 63 L CB 1.169 43.230 42.059 0.003 0.000 1.240 63 L HN 0.348 nan 8.230 nan 0.000 0.427 64 R N 1.459 121.958 120.500 -0.001 0.000 2.583 64 R HA 0.086 4.446 4.340 0.034 0.000 0.274 64 R C -0.056 176.242 176.300 -0.004 0.000 0.998 64 R CA 0.459 56.558 56.100 -0.002 0.000 1.081 64 R CB 0.359 30.658 30.300 -0.003 0.000 0.940 64 R HN 0.706 nan 8.270 nan 0.000 0.413 65 K N 2.580 122.978 120.400 -0.004 0.000 2.387 65 K HA 0.098 4.439 4.320 0.034 0.000 0.203 65 K C 0.764 177.359 176.600 -0.008 0.000 1.030 65 K CA 0.244 56.528 56.287 -0.006 0.000 1.099 65 K CB 1.258 33.755 32.500 -0.005 0.000 0.863 65 K HN 0.884 nan 8.250 nan 0.000 0.529 66 G N 0.940 109.735 108.800 -0.008 0.000 2.479 66 G HA2 -0.030 3.950 3.960 0.034 0.000 0.275 66 G HA3 -0.030 3.950 3.960 0.034 0.000 0.275 66 G C -0.301 174.589 174.900 -0.017 0.000 1.421 66 G CA -0.145 44.949 45.100 -0.010 0.000 1.059 66 G HN 0.027 nan 8.290 nan 0.000 0.535 67 D N -0.472 119.915 120.400 -0.020 0.000 2.384 67 D HA 0.504 5.165 4.640 0.034 0.000 0.250 67 D C -1.776 174.496 176.300 -0.047 0.000 1.029 67 D CA -0.836 53.144 54.000 -0.033 0.000 0.990 67 D CB 1.140 41.921 40.800 -0.032 0.000 1.175 67 D HN 0.173 nan 8.370 nan 0.000 0.532 68 P HA 0.310 nan 4.420 nan 0.000 0.282 68 P C -0.854 176.357 177.300 -0.149 0.000 1.262 68 P CA -0.325 62.705 63.100 -0.117 0.000 0.773 68 P CB 0.876 32.484 31.700 -0.153 0.000 0.879 69 R N 2.939 123.362 120.500 -0.129 0.000 2.533 69 R HA 0.363 4.724 4.340 0.034 0.000 0.288 69 R C -0.995 175.297 176.300 -0.013 0.000 1.039 69 R CA -0.724 55.326 56.100 -0.084 0.000 0.909 69 R CB 0.938 31.240 30.300 0.004 0.000 1.195 69 R HN 0.189 nan 8.270 nan 0.000 0.438 70 F N 4.474 124.455 119.950 0.052 0.000 2.504 70 F HA 0.127 4.673 4.527 0.032 0.000 0.369 70 F C 0.701 176.569 175.800 0.114 0.000 1.082 70 F CA -0.228 57.816 58.000 0.073 0.000 1.216 70 F CB 0.057 39.079 39.000 0.037 0.000 1.108 70 F HN 0.392 nan 8.300 nan 0.000 0.554 71 F N 5.157 125.231 119.950 0.207 0.000 2.623 71 F HA -0.093 4.454 4.527 0.034 0.000 0.381 71 F C 1.868 177.710 175.800 0.069 0.000 1.081 71 F CA -0.374 57.685 58.000 0.099 0.000 1.293 71 F CB 0.555 39.596 39.000 0.068 0.000 1.006 71 F HN 0.685 nan 8.300 nan 0.000 0.578 72 E N 5.681 125.510 120.200 -0.618 0.000 2.274 72 E HA -0.167 4.204 4.350 0.034 0.000 0.194 72 E C 0.418 176.628 176.600 -0.649 0.000 0.996 72 E CA 1.290 57.393 56.400 -0.495 0.000 0.840 72 E CB -0.327 29.189 29.700 -0.307 0.000 0.772 72 E HN 0.739 nan 8.360 nan 0.000 0.491 73 M N -0.784 118.062 119.600 -1.257 0.000 2.850 73 M HA 0.478 4.979 4.480 0.034 0.000 0.288 73 M C 0.102 176.169 176.300 -0.389 0.000 1.450 73 M CA -0.543 54.358 55.300 -0.666 0.000 0.555 73 M CB 1.314 33.665 32.600 -0.414 0.000 1.507 73 M HN -0.277 nan 8.290 nan 0.000 0.415 74 R N 1.152 121.573 120.500 -0.133 0.000 2.120 74 R HA -0.150 4.210 4.340 0.034 0.000 0.234 74 R C 1.532 177.868 176.300 0.059 0.000 1.123 74 R CA 2.372 58.595 56.100 0.206 0.000 0.975 74 R CB -0.182 30.180 30.300 0.102 0.000 0.866 74 R HN 0.809 nan 8.270 nan 0.000 0.446 75 D N 0.655 121.028 120.400 -0.045 0.000 2.158 75 D HA -0.197 4.463 4.640 0.034 0.000 0.197 75 D C 1.552 177.793 176.300 -0.098 0.000 0.995 75 D CA 1.190 55.138 54.000 -0.087 0.000 0.846 75 D CB -0.282 40.463 40.800 -0.092 0.000 0.941 75 D HN 0.111 nan 8.370 nan 0.000 0.456 76 L N 0.417 121.615 121.223 -0.043 0.000 2.141 76 L HA 0.051 4.412 4.340 0.034 0.000 0.209 76 L C 2.594 179.422 176.870 -0.070 0.000 1.094 76 L CA 0.685 55.500 54.840 -0.041 0.000 0.763 76 L CB -0.660 41.408 42.059 0.015 0.000 0.908 76 L HN 0.119 nan 8.230 nan 0.000 0.437 77 I N 0.112 120.663 120.570 -0.033 0.000 2.286 77 I HA -0.317 3.874 4.170 0.034 0.000 0.248 77 I C 2.356 178.248 176.117 -0.375 0.000 1.115 77 I CA 1.416 62.670 61.300 -0.077 0.000 1.392 77 I CB -0.311 37.694 38.000 0.009 0.000 1.065 77 I HN 0.424 nan 8.210 nan 0.000 0.418 78 K N 1.899 121.970 120.400 -0.549 0.000 2.211 78 K HA -0.087 4.254 4.320 0.034 0.000 0.201 78 K C 1.289 177.343 176.600 -0.910 0.000 1.052 78 K CA 0.414 55.958 56.287 -1.239 0.000 0.973 78 K CB -0.257 31.816 32.500 -0.712 0.000 0.766 78 K HN 0.176 nan 8.250 nan 0.000 0.466 79 K N 1.484 121.636 120.400 -0.414 0.000 2.751 79 K HA 0.143 4.484 4.320 0.034 0.000 0.252 79 K C -0.247 176.258 176.600 -0.158 0.000 1.277 79 K CA 0.058 56.209 56.287 -0.226 0.000 1.226 79 K CB -0.203 32.218 32.500 -0.132 0.000 1.658 79 K HN 0.311 nan 8.250 nan 0.000 0.303 80 N N 0.434 119.029 118.700 -0.174 0.000 1.850 80 N HA 0.102 4.862 4.740 0.034 0.000 0.225 80 N C -0.990 174.595 175.510 0.124 0.000 1.455 80 N CA -0.412 52.615 53.050 -0.038 0.000 0.689 80 N CB 0.229 38.684 38.487 -0.054 0.000 1.034 80 N HN 0.204 nan 8.380 nan 0.000 0.581 81 F N 1.427 121.380 119.950 0.004 0.000 2.418 81 F HA 0.245 4.792 4.527 0.034 0.000 0.341 81 F C -0.931 174.870 175.800 0.002 0.000 1.120 81 F CA -1.680 56.322 58.000 0.003 0.000 1.232 81 F CB 0.866 39.867 39.000 0.003 0.000 1.175 81 F HN 0.007 nan 8.300 nan 0.000 0.569 82 P HA -0.055 nan 4.420 nan 0.000 0.214 82 P C -0.835 176.520 177.300 0.091 0.000 1.162 82 P CA 1.395 64.554 63.100 0.099 0.000 0.874 82 P CB 0.293 32.023 31.700 0.050 0.000 0.784 83 E N -1.199 119.049 120.200 0.080 0.000 2.367 83 E HA 0.431 4.802 4.350 0.034 0.000 0.273 83 E C -0.931 175.714 176.600 0.075 0.000 0.903 83 E CA -0.762 55.676 56.400 0.064 0.000 0.764 83 E CB 2.162 31.876 29.700 0.024 0.000 1.252 83 E HN 0.067 nan 8.360 nan 0.000 0.446 84 E N 0.983 121.232 120.200 0.082 0.000 2.366 84 E HA 0.643 5.013 4.350 0.034 0.000 0.278 84 E C -1.536 175.101 176.600 0.062 0.000 0.923 84 E CA -1.033 55.427 56.400 0.100 0.000 0.761 84 E CB 2.016 31.833 29.700 0.193 0.000 1.231 84 E HN 0.180 nan 8.360 nan 0.000 0.443 85 K N 0.991 121.429 120.400 0.063 0.000 2.426 85 K HA 0.378 4.719 4.320 0.034 0.000 0.251 85 K C -1.107 175.549 176.600 0.093 0.000 0.941 85 K CA -0.664 55.647 56.287 0.039 0.000 0.808 85 K CB 1.240 33.732 32.500 -0.014 0.000 1.265 85 K HN 0.596 nan 8.250 nan 0.000 0.432 86 D N 2.883 123.316 120.400 0.055 0.000 2.808 86 D HA -0.224 4.436 4.640 0.034 0.000 0.220 86 D C 0.810 177.184 176.300 0.124 0.000 1.215 86 D CA 2.089 56.131 54.000 0.070 0.000 0.608 86 D CB -1.189 39.632 40.800 0.036 0.000 1.005 86 D HN 0.922 nan 8.370 nan 0.000 0.403 87 G N -1.331 107.516 108.800 0.077 0.000 2.225 87 G HA2 -0.324 3.657 3.960 0.034 0.000 0.254 87 G HA3 -0.324 3.657 3.960 0.034 0.000 0.254 87 G C 0.283 175.172 174.900 -0.017 0.000 0.988 87 G CA 0.304 45.411 45.100 0.011 0.000 0.625 87 G HN 0.655 nan 8.290 nan 0.000 0.527 88 H N -0.040 119.039 119.070 0.014 0.000 2.505 88 H HA 0.489 5.066 4.556 0.034 0.000 0.355 88 H C 0.726 176.001 175.328 -0.088 0.000 1.179 88 H CA -0.265 55.763 56.048 -0.034 0.000 1.343 88 H CB 1.163 30.886 29.762 -0.065 0.000 1.501 88 H HN 0.171 nan 8.280 nan 0.000 0.569 89 I N 1.892 122.371 120.570 -0.152 0.000 2.496 89 I HA 0.003 4.194 4.170 0.034 0.000 0.285 89 I C 0.692 176.727 176.117 -0.136 0.000 1.080 89 I CA 0.270 61.356 61.300 -0.356 0.000 1.404 89 I CB 0.376 38.009 38.000 -0.612 0.000 1.403 89 I HN 0.255 nan 8.210 nan 0.000 0.539 90 K N 6.887 127.231 120.400 -0.093 0.000 2.156 90 K HA 0.672 5.013 4.320 0.034 0.000 0.271 90 K C -1.081 175.480 176.600 -0.065 0.000 0.995 90 K CA -0.569 55.683 56.287 -0.058 0.000 0.890 90 K CB 1.609 34.093 32.500 -0.027 0.000 1.073 90 K HN 0.497 nan 8.250 nan 0.000 0.454 91 V N 1.679 121.558 119.914 -0.058 0.000 3.012 91 V HA 0.521 4.662 4.120 0.034 0.000 0.307 91 V C -2.655 173.416 176.094 -0.038 0.000 1.166 91 V CA -1.832 60.438 62.300 -0.050 0.000 0.974 91 V CB 1.232 33.019 31.823 -0.060 0.000 1.040 91 V HN 0.825 nan 8.190 nan 0.000 0.428 92 P HA 0.150 nan 4.420 nan 0.000 0.257 92 P C 0.674 177.960 177.300 -0.024 0.000 1.153 92 P CA 1.081 64.168 63.100 -0.022 0.000 0.762 92 P CB -0.249 31.440 31.700 -0.018 0.000 0.743 93 G N 2.851 111.638 108.800 -0.021 0.000 2.794 93 G HA2 0.211 4.191 3.960 0.034 0.000 0.249 93 G HA3 0.211 4.191 3.960 0.034 0.000 0.249 93 G C 0.383 175.271 174.900 -0.019 0.000 1.236 93 G CA -0.659 44.429 45.100 -0.021 0.000 0.880 93 G HN 0.516 nan 8.290 nan 0.000 0.586 120 K N 1.257 121.659 120.400 0.003 0.000 2.172 120 K HA 0.517 4.858 4.320 0.034 0.000 0.276 120 K C 0.194 176.796 176.600 0.002 0.000 1.013 120 K CA -0.581 55.707 56.287 0.003 0.000 0.913 120 K CB 2.325 34.827 32.500 0.002 0.000 1.055 120 K HN 0.215 nan 8.250 nan 0.000 0.461 121 K N 1.588 121.989 120.400 0.002 0.000 2.642 121 K HA 0.509 4.849 4.320 0.034 0.000 0.273 121 K C -0.726 175.872 176.600 -0.004 0.000 1.029 121 K CA -0.825 55.462 56.287 -0.001 0.000 1.071 121 K CB 0.701 33.202 32.500 0.001 0.000 1.451 121 K HN 0.353 nan 8.250 nan 0.000 0.559 122 I N 0.222 120.787 120.570 -0.008 0.000 3.195 122 I HA 0.271 4.461 4.170 0.034 0.000 0.313 122 I C -1.190 174.915 176.117 -0.020 0.000 1.237 122 I CA -1.005 60.287 61.300 -0.013 0.000 0.963 122 I CB 1.773 39.762 38.000 -0.018 0.000 1.278 122 I HN 0.566 nan 8.210 nan 0.000 0.460 123 R N 3.313 123.798 120.500 -0.025 0.000 2.637 123 R HA 0.400 4.760 4.340 0.034 0.000 0.269 123 R C -0.460 175.788 176.300 -0.086 0.000 1.089 123 R CA -0.609 55.469 56.100 -0.036 0.000 1.177 123 R CB 0.085 30.374 30.300 -0.019 0.000 1.091 123 R HN 0.685 nan 8.270 nan 0.000 0.540 124 R N 0.608 121.018 120.500 -0.149 0.000 2.387 124 R HA 0.331 4.692 4.340 0.034 0.000 0.314 124 R C -1.176 174.814 176.300 -0.517 0.000 0.958 124 R CA -0.551 55.367 56.100 -0.304 0.000 0.846 124 R CB 0.962 31.051 30.300 -0.352 0.000 1.147 124 R HN 0.709 nan 8.270 nan 0.000 0.447 125 C N 5.119 124.172 119.300 -0.412 0.000 2.369 125 C HA 0.492 4.973 4.460 0.034 0.000 0.358 125 C C -0.540 174.186 174.990 -0.439 0.000 1.274 125 C CA -0.633 58.190 59.018 -0.325 0.000 1.935 125 C CB -0.542 27.123 27.740 -0.124 0.000 2.431 125 C HN 0.663 nan 8.230 nan 0.000 0.545 126 F N 1.637 121.606 119.950 0.031 0.000 2.436 126 F HA 0.360 4.906 4.527 0.032 0.000 0.340 126 F C 0.807 176.631 175.800 0.040 0.000 1.113 126 F CA -0.779 57.245 58.000 0.039 0.000 1.022 126 F CB 0.733 39.758 39.000 0.042 0.000 1.128 126 F HN 0.689 nan 8.300 nan 0.000 0.466 127 E N 4.348 124.668 120.200 0.200 0.000 2.696 127 E HA 0.001 4.372 4.350 0.034 0.000 0.270 127 E C -1.117 175.568 176.600 0.141 0.000 0.958 127 E CA -0.132 56.347 56.400 0.132 0.000 0.964 127 E CB 0.452 30.220 29.700 0.112 0.000 0.948 127 E HN 0.688 nan 8.360 nan 0.000 0.472 128 L N 0.797 122.079 121.223 0.097 0.000 2.331 128 L HA 0.569 4.929 4.340 0.034 0.000 0.275 128 L C -0.213 176.696 176.870 0.066 0.000 1.022 128 L CA -1.603 53.285 54.840 0.081 0.000 0.812 128 L CB 1.276 43.371 42.059 0.061 0.000 1.257 128 L HN 0.354 nan 8.230 nan 0.000 0.435 129 V N 2.308 122.245 119.914 0.039 0.000 2.585 129 V HA 0.343 4.484 4.120 0.034 0.000 0.296 129 V C 0.324 176.416 176.094 -0.003 0.000 1.035 129 V CA -0.078 62.235 62.300 0.021 0.000 1.084 129 V CB -0.028 31.717 31.823 -0.129 0.000 0.953 129 V HN 0.817 nan 8.190 nan 0.000 0.483 130 R N 3.432 123.959 120.500 0.046 0.000 2.585 130 R HA 0.512 4.873 4.340 0.034 0.000 0.288 130 R C -1.404 174.924 176.300 0.046 0.000 1.194 130 R CA -0.490 55.625 56.100 0.025 0.000 1.006 130 R CB 1.800 32.089 30.300 -0.018 0.000 1.229 130 R HN 0.581 nan 8.270 nan 0.000 0.412 131 V N 0.565 120.527 119.914 0.080 0.000 2.994 131 V HA 0.755 4.896 4.120 0.034 0.000 0.318 131 V C -0.236 175.988 176.094 0.217 0.000 1.085 131 V CA -1.286 61.075 62.300 0.101 0.000 0.998 131 V CB 1.799 33.669 31.823 0.078 0.000 1.063 131 V HN 0.739 nan 8.190 nan 0.000 0.447 132 R N 0.915 121.533 120.500 0.197 0.000 2.621 132 R HA 0.713 5.074 4.340 0.034 0.000 0.292 132 R C -1.444 175.045 176.300 0.315 0.000 0.969 132 R CA -0.638 55.569 56.100 0.179 0.000 0.887 132 R CB 1.193 31.533 30.300 0.065 0.000 1.180 132 R HN 0.684 nan 8.270 nan 0.000 0.450 133 F N 2.207 122.216 119.950 0.097 0.000 2.375 133 F HA 0.686 5.234 4.527 0.034 0.000 0.361 133 F C -0.624 175.196 175.800 0.033 0.000 1.117 133 F CA -1.043 57.049 58.000 0.155 0.000 1.037 133 F CB 1.593 40.756 39.000 0.272 0.000 1.192 133 F HN 0.863 nan 8.300 nan 0.000 0.452 134 A N 8.447 131.023 122.820 -0.406 0.000 3.150 134 A HA 0.470 4.811 4.320 0.034 0.000 0.328 134 A C -2.711 174.626 177.584 -0.412 0.000 1.104 134 A CA -1.381 50.483 52.037 -0.289 0.000 0.937 134 A CB -0.873 18.068 19.000 -0.098 0.000 1.073 134 A HN 0.482 nan 8.150 nan 0.000 0.497 135 P HA 0.215 nan 4.420 nan 0.000 0.274 135 P C -0.033 177.144 177.300 -0.205 0.000 1.231 135 P CA 0.146 62.986 63.100 -0.435 0.000 0.790 135 P CB 1.337 32.844 31.700 -0.322 0.000 0.951 136 S N 0.977 116.585 115.700 -0.154 0.000 2.433 136 S HA 0.376 4.866 4.470 0.034 0.000 0.310 136 S C -1.915 172.638 174.600 -0.077 0.000 1.097 136 S CA -1.616 56.520 58.200 -0.107 0.000 1.103 136 S CB 0.971 64.099 63.200 -0.120 0.000 0.992 136 S HN 0.298 nan 8.310 nan 0.000 0.469 137 P HA -0.004 nan 4.420 nan 0.000 0.299 137 P C 1.094 178.349 177.300 -0.074 0.000 1.515 137 P CA 0.365 63.458 63.100 -0.011 0.000 0.770 137 P CB -1.183 30.520 31.700 0.006 0.000 1.614 138 T N -3.872 110.615 114.554 -0.113 0.000 3.163 138 T HA 0.294 4.665 4.350 0.034 0.000 0.260 138 T C 0.977 175.563 174.700 -0.189 0.000 1.156 138 T CA 0.500 62.486 62.100 -0.191 0.000 1.072 138 T CB -0.185 68.599 68.868 -0.140 0.000 0.937 138 T HN 0.305 nan 8.240 nan 0.000 0.528 139 G N -0.583 108.232 108.800 0.025 0.000 2.367 139 G HA2 0.264 4.245 3.960 0.034 0.000 0.272 139 G HA3 0.264 4.245 3.960 0.034 0.000 0.272 139 G C -1.865 173.218 174.900 0.306 0.000 1.271 139 G CA -0.909 44.392 45.100 0.335 0.000 0.893 139 G HN 0.302 nan 8.290 nan 0.000 0.485 140 H N -0.072 119.105 119.070 0.179 0.000 2.487 140 H HA 0.520 5.097 4.556 0.034 0.000 0.333 140 H C -0.227 175.126 175.328 0.042 0.000 1.114 140 H CA -0.369 55.730 56.048 0.085 0.000 1.310 140 H CB 1.747 31.540 29.762 0.053 0.000 1.462 140 H HN 0.417 nan 8.280 nan 0.000 0.516 141 L N 6.338 127.736 121.223 0.292 0.000 2.418 141 L HA 0.112 4.473 4.340 0.034 0.000 0.274 141 L C 0.422 177.460 176.870 0.280 0.000 1.135 141 L CA 0.118 55.098 54.840 0.233 0.000 0.870 141 L CB -0.383 41.840 42.059 0.274 0.000 1.154 141 L HN 0.701 nan 8.230 nan 0.000 0.462 142 H N 2.514 121.687 119.070 0.171 0.000 2.530 142 H HA 0.434 5.011 4.556 0.034 0.000 0.342 142 H C 1.010 176.375 175.328 0.061 0.000 1.312 142 H CA -0.650 55.460 56.048 0.102 0.000 1.376 142 H CB 0.624 30.423 29.762 0.062 0.000 1.692 142 H HN 0.440 nan 8.280 nan 0.000 0.622 143 V N -1.857 118.059 119.914 0.003 0.000 3.078 143 V HA -0.018 4.122 4.120 0.034 0.000 0.265 143 V C 1.926 177.913 176.094 -0.179 0.000 1.122 143 V CA 1.280 63.489 62.300 -0.151 0.000 1.141 143 V CB -1.280 30.244 31.823 -0.498 0.000 0.735 143 V HN 0.933 nan 8.190 nan 0.000 0.498 144 G N 1.605 110.129 108.800 -0.461 0.000 2.575 144 G HA2 -0.066 3.915 3.960 0.034 0.000 0.215 144 G HA3 -0.066 3.915 3.960 0.034 0.000 0.215 144 G C 1.545 176.452 174.900 0.011 0.000 1.262 144 G CA 0.725 45.533 45.100 -0.487 0.000 0.807 144 G HN 0.700 nan 8.290 nan 0.000 0.567 145 G N 0.708 109.725 108.800 0.361 0.000 2.527 145 G HA2 0.098 4.079 3.960 0.034 0.000 0.219 145 G HA3 0.098 4.079 3.960 0.034 0.000 0.219 145 G C 1.776 176.828 174.900 0.252 0.000 1.117 145 G CA 1.500 46.914 45.100 0.523 0.000 0.759 145 G HN 0.705 nan 8.290 nan 0.000 0.556 146 A N 0.470 123.382 122.820 0.154 0.000 1.898 146 A HA 0.164 4.505 4.320 0.034 0.000 0.214 146 A C 2.262 179.871 177.584 0.042 0.000 1.183 146 A CA 1.520 53.584 52.037 0.046 0.000 0.622 146 A CB -0.313 18.727 19.000 0.067 0.000 0.824 146 A HN 0.354 nan 8.150 nan 0.000 0.444 147 R N -0.143 120.414 120.500 0.096 0.000 2.057 147 R HA -0.109 4.252 4.340 0.034 0.000 0.229 147 R C 2.206 178.674 176.300 0.280 0.000 1.136 147 R CA 2.042 58.248 56.100 0.177 0.000 0.952 147 R CB -0.615 29.797 30.300 0.187 0.000 0.848 147 R HN 0.513 nan 8.270 nan 0.000 0.430 148 T N -2.136 112.571 114.554 0.255 0.000 3.155 148 T HA 0.110 4.481 4.350 0.034 0.000 0.264 148 T C 1.129 176.081 174.700 0.419 0.000 1.160 148 T CA 0.814 63.112 62.100 0.331 0.000 1.075 148 T CB 0.229 69.275 68.868 0.296 0.000 0.921 148 T HN 0.371 nan 8.240 nan 0.000 0.533 149 A N 0.857 123.801 122.820 0.206 0.000 1.993 149 A HA 0.451 4.792 4.320 0.034 0.000 0.202 149 A C 1.887 179.532 177.584 0.102 0.000 1.461 149 A CA 0.445 52.482 52.037 -0.001 0.000 0.824 149 A CB -0.742 17.749 19.000 -0.848 0.000 1.024 149 A HN 0.468 nan 8.150 nan 0.000 0.507 150 L N -0.705 120.552 121.223 0.057 0.000 2.129 150 L HA -0.147 4.214 4.340 0.034 0.000 0.212 150 L C 1.966 178.962 176.870 0.211 0.000 1.087 150 L CA 2.227 57.101 54.840 0.055 0.000 0.757 150 L CB -0.901 41.141 42.059 -0.028 0.000 0.896 150 L HN 0.389 nan 8.230 nan 0.000 0.434 151 F N 0.821 120.912 119.950 0.235 0.000 2.026 151 F HA -0.259 4.288 4.527 0.033 0.000 0.296 151 F C 2.457 178.497 175.800 0.400 0.000 1.133 151 F CA 2.324 60.569 58.000 0.409 0.000 1.188 151 F CB -0.632 38.655 39.000 0.479 0.000 0.968 151 F HN 0.262 nan 8.300 nan 0.000 0.476 152 N N -0.765 118.240 118.700 0.509 0.000 2.061 152 N HA -0.301 4.460 4.740 0.034 0.000 0.193 152 N C 1.839 177.281 175.510 -0.114 0.000 1.030 152 N CA 1.793 55.021 53.050 0.297 0.000 0.856 152 N CB -0.838 37.898 38.487 0.414 0.000 1.023 152 N HN 0.487 nan 8.380 nan 0.000 0.424 153 W N 2.074 123.004 121.300 -0.618 0.000 2.315 153 W HA -0.137 4.544 4.660 0.035 0.000 0.323 153 W C 2.465 178.721 176.519 -0.439 0.000 1.233 153 W CA 1.574 58.399 57.345 -0.867 0.000 1.267 153 W CB -0.281 28.757 29.460 -0.703 0.000 1.160 153 W HN -0.023 nan 8.180 nan 0.000 0.474 154 M N -1.030 118.533 119.600 -0.063 0.000 2.086 154 M HA -0.187 4.313 4.480 0.034 0.000 0.261 154 M C 2.207 178.298 176.300 -0.349 0.000 1.067 154 M CA 1.890 56.985 55.300 -0.342 0.000 1.116 154 M CB -1.102 31.085 32.600 -0.689 0.000 1.348 154 M HN 0.104 nan 8.290 nan 0.000 0.407 155 F N 1.316 121.148 119.950 -0.197 0.000 2.126 155 F HA -0.186 4.361 4.527 0.034 0.000 0.299 155 F C 2.310 178.038 175.800 -0.120 0.000 1.096 155 F CA 1.482 59.533 58.000 0.085 0.000 1.255 155 F CB -0.511 38.611 39.000 0.202 0.000 0.997 155 F HN 0.055 nan 8.300 nan 0.000 0.479 156 A N 0.320 122.910 122.820 -0.383 0.000 1.877 156 A HA -0.199 4.142 4.320 0.034 0.000 0.216 156 A C 2.230 179.500 177.584 -0.524 0.000 1.186 156 A CA 1.717 53.459 52.037 -0.491 0.000 0.620 156 A CB -0.789 18.002 19.000 -0.349 0.000 0.822 156 A HN 0.358 nan 8.150 nan 0.000 0.443 157 R N -0.492 119.611 120.500 -0.661 0.000 2.237 157 R HA -0.048 4.312 4.340 0.034 0.000 0.219 157 R C 1.811 177.875 176.300 -0.394 0.000 1.080 157 R CA 1.693 57.410 56.100 -0.639 0.000 0.995 157 R CB -0.200 29.464 30.300 -1.059 0.000 0.875 157 R HN 0.457 nan 8.270 nan 0.000 0.462 158 K N -0.272 119.931 120.400 -0.327 0.000 2.168 158 K HA 0.078 4.418 4.320 0.034 0.000 0.201 158 K C 1.094 177.571 176.600 -0.206 0.000 1.049 158 K CA 0.944 57.131 56.287 -0.167 0.000 0.974 158 K CB 0.341 32.876 32.500 0.059 0.000 0.792 158 K HN -0.023 nan 8.250 nan 0.000 0.463 159 E N -0.178 119.800 120.200 -0.371 0.000 2.502 159 E HA 0.095 4.465 4.350 0.034 0.000 0.194 159 E C 0.588 177.024 176.600 -0.273 0.000 1.062 159 E CA 0.768 56.944 56.400 -0.373 0.000 0.867 159 E CB 0.336 29.629 29.700 -0.678 0.000 0.888 159 E HN 0.517 nan 8.360 nan 0.000 0.510 160 G N 0.696 109.340 108.800 -0.259 0.000 2.143 160 G HA2 -0.249 3.731 3.960 0.034 0.000 0.248 160 G HA3 -0.249 3.731 3.960 0.034 0.000 0.248 160 G C 0.649 175.447 174.900 -0.171 0.000 0.991 160 G CA 0.337 45.324 45.100 -0.188 0.000 0.689 160 G HN 0.547 nan 8.290 nan 0.000 0.522 161 G N -0.911 107.755 108.800 -0.223 0.000 2.945 161 G HA2 0.678 4.659 3.960 0.034 0.000 0.156 161 G HA3 0.678 4.659 3.960 0.034 0.000 0.156 161 G C -0.167 174.658 174.900 -0.125 0.000 1.375 161 G CA -0.326 44.679 45.100 -0.158 0.000 1.039 161 G HN 0.368 nan 8.290 nan 0.000 0.586 162 K N -0.792 119.567 120.400 -0.068 0.000 2.469 162 K HA 0.404 4.745 4.320 0.034 0.000 0.254 162 K C -2.049 174.630 176.600 0.131 0.000 0.939 162 K CA -0.652 55.645 56.287 0.017 0.000 0.812 162 K CB 2.835 35.364 32.500 0.048 0.000 1.301 162 K HN 0.262 nan 8.250 nan 0.000 0.433 163 F N 3.405 123.352 119.950 -0.006 0.000 2.411 163 F HA 0.492 5.039 4.527 0.034 0.000 0.352 163 F C -0.461 175.444 175.800 0.175 0.000 1.123 163 F CA -1.422 56.629 58.000 0.085 0.000 1.044 163 F CB 0.499 39.579 39.000 0.133 0.000 1.135 163 F HN 0.326 nan 8.300 nan 0.000 0.461 164 I N 6.799 127.384 120.570 0.024 0.000 2.493 164 I HA 0.350 4.540 4.170 0.034 0.000 0.298 164 I C -1.369 174.581 176.117 -0.278 0.000 0.998 164 I CA -1.262 60.002 61.300 -0.060 0.000 1.137 164 I CB 2.135 40.178 38.000 0.072 0.000 1.310 164 I HN 0.427 nan 8.210 nan 0.000 0.445 165 L N 7.079 128.154 121.223 -0.248 0.000 2.376 165 L HA 0.570 4.931 4.340 0.034 0.000 0.275 165 L C -0.910 175.863 176.870 -0.162 0.000 0.987 165 L CA -0.316 54.315 54.840 -0.349 0.000 0.828 165 L CB 1.492 43.094 42.059 -0.761 0.000 1.249 165 L HN 0.629 nan 8.230 nan 0.000 0.409 166 R N 5.983 126.430 120.500 -0.087 0.000 2.483 166 R HA 0.564 4.925 4.340 0.034 0.000 0.303 166 R C -1.293 174.980 176.300 -0.045 0.000 0.987 166 R CA -0.736 55.367 56.100 0.006 0.000 0.881 166 R CB 1.038 31.360 30.300 0.037 0.000 1.177 166 R HN 0.672 nan 8.270 nan 0.000 0.451 167 I N 4.175 124.734 120.570 -0.019 0.000 2.436 167 I HA 0.110 4.301 4.170 0.034 0.000 0.289 167 I C 0.184 176.307 176.117 0.010 0.000 1.083 167 I CA 0.259 61.544 61.300 -0.025 0.000 1.372 167 I CB 0.842 38.838 38.000 -0.007 0.000 1.408 167 I HN 0.610 nan 8.210 nan 0.000 0.516 168 E N 6.108 126.298 120.200 -0.017 0.000 1.998 168 E HA 0.122 4.493 4.350 0.034 0.000 0.257 168 E C -0.563 176.041 176.600 0.005 0.000 1.038 168 E CA -0.265 56.145 56.400 0.016 0.000 0.869 168 E CB 0.575 30.275 29.700 -0.000 0.000 1.135 168 E HN 0.482 nan 8.360 nan 0.000 0.430 169 D N 1.514 121.939 120.400 0.041 0.000 2.930 169 D HA -0.001 4.659 4.640 0.034 0.000 0.304 169 D C 0.811 177.107 176.300 -0.006 0.000 1.298 169 D CA -0.525 53.477 54.000 0.003 0.000 0.949 169 D CB 0.293 41.103 40.800 0.017 0.000 1.013 169 D HN 0.109 nan 8.370 nan 0.000 0.510 170 T N -3.259 111.286 114.554 -0.014 0.000 3.081 170 T HA -0.021 4.350 4.350 0.034 0.000 0.255 170 T C 0.513 175.039 174.700 -0.290 0.000 1.113 170 T CA -0.019 62.045 62.100 -0.059 0.000 1.082 170 T CB 0.167 69.086 68.868 0.085 0.000 0.939 170 T HN 0.094 nan 8.240 nan 0.000 0.506 171 D N 2.827 123.098 120.400 -0.216 0.000 2.412 171 D HA 0.215 4.876 4.640 0.034 0.000 0.224 171 D C 1.036 177.181 176.300 -0.260 0.000 1.093 171 D CA -0.253 53.610 54.000 -0.227 0.000 0.850 171 D CB 1.419 42.133 40.800 -0.144 0.000 1.046 171 D HN 0.251 nan 8.370 nan 0.000 0.507 172 T N 0.512 114.867 114.554 -0.332 0.000 3.169 172 T HA 0.035 4.406 4.350 0.034 0.000 0.250 172 T C 0.907 175.506 174.700 -0.168 0.000 1.111 172 T CA 0.119 62.053 62.100 -0.278 0.000 1.010 172 T CB 0.170 68.826 68.868 -0.353 0.000 0.984 172 T HN 0.390 nan 8.240 nan 0.000 0.537 173 E N 1.680 121.787 120.200 -0.155 0.000 2.192 173 E HA 0.112 4.482 4.350 0.034 0.000 0.196 173 E C 1.955 178.463 176.600 -0.154 0.000 0.922 173 E CA -0.156 56.168 56.400 -0.126 0.000 0.924 173 E CB -0.346 29.293 29.700 -0.102 0.000 0.911 173 E HN 0.326 nan 8.360 nan 0.000 0.478 174 R N 2.026 122.432 120.500 -0.157 0.000 2.397 174 R HA -0.044 4.317 4.340 0.034 0.000 0.213 174 R C 0.442 176.604 176.300 -0.231 0.000 1.102 174 R CA 0.722 56.715 56.100 -0.179 0.000 1.040 174 R CB -0.006 30.208 30.300 -0.144 0.000 0.844 174 R HN 0.273 nan 8.270 nan 0.000 0.478 175 S N -2.319 113.249 115.700 -0.219 0.000 2.810 175 S HA 0.682 5.172 4.470 0.034 0.000 0.315 175 S C -0.558 173.931 174.600 -0.187 0.000 1.138 175 S CA -0.396 57.680 58.200 -0.207 0.000 0.889 175 S CB 2.226 65.346 63.200 -0.133 0.000 1.236 175 S HN 0.102 nan 8.310 nan 0.000 0.548 176 S N -0.867 114.781 115.700 -0.085 0.000 2.611 176 S HA 0.461 4.952 4.470 0.034 0.000 0.270 176 S C -0.679 173.971 174.600 0.082 0.000 1.131 176 S CA -0.790 57.426 58.200 0.028 0.000 0.826 176 S CB 1.040 64.333 63.200 0.156 0.000 1.095 176 S HN 0.676 nan 8.310 nan 0.000 0.461 177 R N 0.925 121.478 120.500 0.088 0.000 2.290 177 R HA 0.275 4.635 4.340 0.034 0.000 0.197 177 R C 1.615 177.952 176.300 0.063 0.000 0.913 177 R CA 0.484 56.624 56.100 0.067 0.000 1.040 177 R CB -0.383 29.947 30.300 0.051 0.000 0.992 177 R HN 0.839 nan 8.270 nan 0.000 0.500 178 E N 0.305 120.560 120.200 0.091 0.000 2.021 178 E HA -0.097 4.274 4.350 0.034 0.000 0.189 178 E C 1.221 177.786 176.600 -0.059 0.000 0.980 178 E CA 0.782 57.184 56.400 0.002 0.000 0.803 178 E CB -0.019 29.664 29.700 -0.029 0.000 0.766 178 E HN 0.251 nan 8.360 nan 0.000 0.449 179 Y N 1.108 121.350 120.300 -0.097 0.000 2.207 179 Y HA -0.221 4.349 4.550 0.034 0.000 0.287 179 Y C 2.479 178.315 175.900 -0.106 0.000 1.156 179 Y CA 1.595 59.609 58.100 -0.143 0.000 1.182 179 Y CB -0.164 38.226 38.460 -0.117 0.000 0.979 179 Y HN 0.224 nan 8.280 nan 0.000 0.521 180 E N 0.619 120.877 120.200 0.095 0.000 2.077 180 E HA -0.329 4.042 4.350 0.034 0.000 0.193 180 E C 2.178 178.788 176.600 0.016 0.000 0.989 180 E CA 1.382 57.805 56.400 0.039 0.000 0.800 180 E CB -0.076 29.645 29.700 0.036 0.000 0.746 180 E HN 0.552 nan 8.360 nan 0.000 0.452 181 Q N 0.357 120.164 119.800 0.011 0.000 2.119 181 Q HA -0.186 4.174 4.340 0.034 0.000 0.201 181 Q C 1.907 177.911 176.000 0.006 0.000 0.972 181 Q CA 1.841 57.651 55.803 0.013 0.000 0.847 181 Q CB 0.097 28.838 28.738 0.005 0.000 0.903 181 Q HN 0.324 nan 8.270 nan 0.000 0.433 182 Q N -0.494 119.272 119.800 -0.057 0.000 2.389 182 Q HA 0.110 4.470 4.340 0.034 0.000 0.204 182 Q C 1.733 177.734 176.000 0.001 0.000 0.944 182 Q CA 0.494 56.258 55.803 -0.066 0.000 0.908 182 Q CB 0.319 28.893 28.738 -0.273 0.000 1.002 182 Q HN 0.452 nan 8.270 nan 0.000 0.493 183 I N 0.293 120.866 120.570 0.004 0.000 2.928 183 I HA -0.168 4.023 4.170 0.034 0.000 0.266 183 I C 1.646 177.827 176.117 0.107 0.000 1.234 183 I CA 0.835 62.181 61.300 0.077 0.000 1.483 183 I CB 0.134 38.177 38.000 0.071 0.000 1.097 183 I HN 0.268 nan 8.210 nan 0.000 0.455 184 L N -0.347 120.928 121.223 0.086 0.000 2.307 184 L HA -0.033 4.327 4.340 0.034 0.000 0.211 184 L C 2.458 179.476 176.870 0.247 0.000 1.099 184 L CA 0.508 55.425 54.840 0.129 0.000 0.816 184 L CB -0.308 41.817 42.059 0.110 0.000 0.952 184 L HN 0.141 nan 8.230 nan 0.000 0.455 185 E N 0.438 120.753 120.200 0.191 0.000 2.008 185 E HA -0.121 4.249 4.350 0.034 0.000 0.191 185 E C 2.296 179.030 176.600 0.223 0.000 0.986 185 E CA 1.250 57.770 56.400 0.200 0.000 0.807 185 E CB -0.201 29.594 29.700 0.160 0.000 0.766 185 E HN 0.190 nan 8.360 nan 0.000 0.450 186 S N 1.287 117.107 115.700 0.199 0.000 2.393 186 S HA -0.237 4.253 4.470 0.034 0.000 0.234 186 S C 1.925 176.705 174.600 0.299 0.000 1.064 186 S CA 1.490 59.820 58.200 0.217 0.000 1.088 186 S CB -0.453 62.881 63.200 0.222 0.000 0.939 186 S HN 0.136 nan 8.310 nan 0.000 0.448 187 L N 2.102 123.482 121.223 0.261 0.000 2.056 187 L HA 0.004 4.365 4.340 0.034 0.000 0.207 187 L C 2.474 179.507 176.870 0.272 0.000 1.078 187 L CA 1.625 56.616 54.840 0.251 0.000 0.749 187 L CB -0.637 41.578 42.059 0.260 0.000 0.901 187 L HN 0.198 nan 8.230 nan 0.000 0.433 188 R N -1.324 119.369 120.500 0.321 0.000 2.193 188 R HA -0.248 4.112 4.340 0.034 0.000 0.229 188 R C 2.099 178.490 176.300 0.152 0.000 1.110 188 R CA 1.474 57.705 56.100 0.218 0.000 0.988 188 R CB -0.915 29.514 30.300 0.216 0.000 0.871 188 R HN 0.566 nan 8.270 nan 0.000 0.458 189 W N 0.704 122.008 121.300 0.007 0.000 2.453 189 W HA -0.063 4.618 4.660 0.034 0.000 0.289 189 W C 1.774 178.245 176.519 -0.081 0.000 1.215 189 W CA 0.915 58.231 57.345 -0.048 0.000 1.297 189 W CB -0.298 29.126 29.460 -0.060 0.000 1.113 189 W HN 0.066 nan 8.180 nan 0.000 0.551 190 C N 1.016 120.314 119.300 -0.003 0.000 2.511 190 C HA 0.335 4.816 4.460 0.034 0.000 0.277 190 C C 1.687 176.461 174.990 -0.361 0.000 1.451 190 C CA 1.058 59.936 59.018 -0.234 0.000 1.735 190 C CB -1.601 26.099 27.740 -0.066 0.000 1.704 190 C HN 0.693 nan 8.230 nan 0.000 0.571 191 G N 0.901 109.522 108.800 -0.298 0.000 2.248 191 G HA2 -0.217 3.764 3.960 0.034 0.000 0.263 191 G HA3 -0.217 3.764 3.960 0.034 0.000 0.263 191 G C -0.208 174.390 174.900 -0.503 0.000 1.082 191 G CA -0.322 44.561 45.100 -0.361 0.000 0.863 191 G HN 0.575 nan 8.290 nan 0.000 0.495 192 L N 1.940 122.978 121.223 -0.307 0.000 2.599 192 L HA 0.277 4.637 4.340 0.034 0.000 0.241 192 L C 0.042 177.058 176.870 0.243 0.000 1.207 192 L CA -1.029 53.625 54.840 -0.311 0.000 0.987 192 L CB 0.427 42.420 42.059 -0.111 0.000 1.318 192 L HN 0.359 nan 8.230 nan 0.000 0.458 193 D N 0.868 121.391 120.400 0.204 0.000 2.450 193 D HA 0.013 4.674 4.640 0.034 0.000 0.247 193 D C -0.423 176.114 176.300 0.395 0.000 1.162 193 D CA -0.304 53.720 54.000 0.040 0.000 0.879 193 D CB 0.648 41.445 40.800 -0.005 0.000 1.163 193 D HN 0.308 nan 8.370 nan 0.000 0.472 194 W N 1.310 122.788 121.300 0.296 0.000 2.438 194 W HA 0.448 5.128 4.660 0.034 0.000 0.324 194 W C -0.162 176.409 176.519 0.087 0.000 1.119 194 W CA -1.005 56.446 57.345 0.176 0.000 1.221 194 W CB 0.446 29.830 29.460 -0.127 0.000 1.253 194 W HN 0.120 nan 8.180 nan 0.000 0.555 195 D N 0.960 121.499 120.400 0.233 0.000 2.323 195 D HA -0.043 4.617 4.640 0.034 0.000 0.209 195 D C -0.302 176.067 176.300 0.115 0.000 0.973 195 D CA 0.994 55.060 54.000 0.110 0.000 0.874 195 D CB 0.268 41.130 40.800 0.103 0.000 0.930 195 D HN 0.505 nan 8.370 nan 0.000 0.521 196 E N -0.356 119.953 120.200 0.182 0.000 2.307 196 E HA 0.593 4.964 4.350 0.034 0.000 0.280 196 E C -0.404 176.099 176.600 -0.163 0.000 0.900 196 E CA -0.708 55.677 56.400 -0.025 0.000 0.790 196 E CB 2.189 31.890 29.700 0.002 0.000 1.261 196 E HN 0.097 nan 8.360 nan 0.000 0.405 197 G N 1.870 110.467 108.800 -0.337 0.000 2.682 197 G HA2 0.433 4.413 3.960 0.034 0.000 0.303 197 G HA3 0.433 4.413 3.960 0.034 0.000 0.303 197 G C -2.501 172.189 174.900 -0.349 0.000 1.341 197 G CA -0.919 43.926 45.100 -0.425 0.000 0.784 197 G HN 0.226 nan 8.290 nan 0.000 0.497 198 P HA 0.084 nan 4.420 nan 0.000 0.241 198 P C 0.297 177.626 177.300 0.047 0.000 1.191 198 P CA 1.131 64.239 63.100 0.014 0.000 0.771 198 P CB 0.384 32.093 31.700 0.015 0.000 0.929 199 D N 0.242 120.695 120.400 0.088 0.000 2.392 199 D HA -0.019 4.642 4.640 0.034 0.000 0.206 199 D C 1.430 177.799 176.300 0.116 0.000 1.046 199 D CA 0.238 54.321 54.000 0.137 0.000 0.865 199 D CB -0.564 40.380 40.800 0.240 0.000 0.969 199 D HN 0.343 nan 8.370 nan 0.000 0.509 200 I N -4.759 115.870 120.570 0.100 0.000 4.263 200 I HA 0.560 4.751 4.170 0.034 0.000 0.335 200 I C 0.881 177.001 176.117 0.006 0.000 1.389 200 I CA -0.273 61.059 61.300 0.053 0.000 1.156 200 I CB 0.882 38.912 38.000 0.050 0.000 1.510 200 I HN 0.050 nan 8.210 nan 0.000 0.566 201 G N 1.800 110.576 108.800 -0.040 0.000 2.552 201 G HA2 0.193 4.173 3.960 0.034 0.000 0.265 201 G HA3 0.193 4.173 3.960 0.034 0.000 0.265 201 G C 0.184 174.980 174.900 -0.173 0.000 1.234 201 G CA 0.200 45.264 45.100 -0.060 0.000 0.944 201 G HN 1.764 nan 8.290 nan 0.000 0.568 202 G N -2.422 106.409 108.800 0.052 0.000 2.345 202 G HA2 0.509 4.490 3.960 0.034 0.000 0.310 202 G HA3 0.509 4.490 3.960 0.034 0.000 0.310 202 G C -0.349 174.705 174.900 0.258 0.000 1.476 202 G CA 0.579 45.771 45.100 0.154 0.000 0.978 202 G HN 1.115 nan 8.290 nan 0.000 0.656 203 D N -0.495 119.984 120.400 0.131 0.000 2.392 203 D HA 0.143 4.804 4.640 0.034 0.000 0.228 203 D C 0.930 176.913 176.300 -0.528 0.000 1.003 203 D CA 1.048 54.900 54.000 -0.247 0.000 0.917 203 D CB -0.102 40.398 40.800 -0.499 0.000 0.890 203 D HN 0.262 nan 8.370 nan 0.000 0.532 204 F N -0.319 119.714 119.950 0.137 0.000 2.791 204 F HA 0.315 4.863 4.527 0.035 0.000 0.316 204 F C 1.579 177.164 175.800 -0.359 0.000 1.134 204 F CA -0.809 57.123 58.000 -0.113 0.000 1.222 204 F CB 0.300 39.204 39.000 -0.160 0.000 1.034 204 F HN -0.190 nan 8.300 nan 0.000 0.516 205 G N 1.821 110.639 108.800 0.030 0.000 2.720 205 G HA2 0.297 4.277 3.960 0.034 0.000 0.237 205 G HA3 0.297 4.277 3.960 0.034 0.000 0.237 205 G C -2.296 172.542 174.900 -0.103 0.000 1.239 205 G CA -0.524 44.582 45.100 0.009 0.000 0.847 205 G HN -0.000 nan 8.290 nan 0.000 0.593 206 P HA 0.343 nan 4.420 nan 0.000 0.284 206 P C -0.728 176.527 177.300 -0.075 0.000 1.292 206 P CA -0.573 62.550 63.100 0.039 0.000 0.800 206 P CB 0.795 32.524 31.700 0.047 0.000 1.188 207 Y N -1.899 118.418 120.300 0.027 0.000 2.531 207 Y HA 0.292 4.863 4.550 0.035 0.000 0.249 207 Y C 1.222 177.128 175.900 0.012 0.000 1.168 207 Y CA -0.251 57.859 58.100 0.016 0.000 1.226 207 Y CB 0.568 39.030 38.460 0.002 0.000 1.177 207 Y HN -0.014 nan 8.280 nan 0.000 0.527 208 R N -0.022 120.559 120.500 0.135 0.000 2.782 208 R HA 0.312 4.672 4.340 0.034 0.000 0.258 208 R C 0.431 176.801 176.300 0.117 0.000 1.055 208 R CA -0.501 55.666 56.100 0.111 0.000 1.065 208 R CB 1.025 31.389 30.300 0.105 0.000 1.172 208 R HN 0.242 nan 8.270 nan 0.000 0.510 209 Q N 0.001 119.904 119.800 0.172 0.000 2.394 209 Q HA 0.000 4.361 4.340 0.034 0.000 0.218 209 Q C 1.644 177.824 176.000 0.300 0.000 0.907 209 Q CA 0.850 56.816 55.803 0.272 0.000 0.919 209 Q CB 0.494 29.428 28.738 0.327 0.000 1.051 209 Q HN 0.670 nan 8.270 nan 0.000 0.538 210 S N 1.165 117.054 115.700 0.315 0.000 2.500 210 S HA -0.098 4.393 4.470 0.034 0.000 0.239 210 S C 1.355 176.023 174.600 0.113 0.000 0.989 210 S CA 0.777 59.171 58.200 0.324 0.000 0.951 210 S CB -0.098 63.355 63.200 0.422 0.000 0.759 210 S HN 0.298 nan 8.310 nan 0.000 0.523 211 E N 1.183 121.438 120.200 0.091 0.000 2.489 211 E HA 0.063 4.434 4.350 0.034 0.000 0.193 211 E C 0.583 177.163 176.600 -0.033 0.000 1.057 211 E CA 0.004 56.423 56.400 0.032 0.000 0.866 211 E CB 0.183 29.911 29.700 0.048 0.000 0.916 211 E HN 0.715 nan 8.360 nan 0.000 0.500 212 R N -0.189 120.271 120.500 -0.067 0.000 2.711 212 R HA 0.206 4.567 4.340 0.034 0.000 0.350 212 R C 0.231 176.295 176.300 -0.393 0.000 1.146 212 R CA -0.137 55.825 56.100 -0.229 0.000 1.190 212 R CB -0.340 29.782 30.300 -0.297 0.000 1.312 212 R HN -0.068 nan 8.270 nan 0.000 0.635 213 L N 0.431 121.533 121.223 -0.202 0.000 2.395 213 L HA 0.097 4.457 4.340 0.034 0.000 0.218 213 L C 2.393 179.190 176.870 -0.122 0.000 1.130 213 L CA 1.129 55.891 54.840 -0.130 0.000 0.826 213 L CB -0.385 41.548 42.059 -0.211 0.000 0.941 213 L HN 0.459 nan 8.230 nan 0.000 0.451 214 E N 0.882 120.997 120.200 -0.141 0.000 2.136 214 E HA -0.294 4.077 4.350 0.034 0.000 0.208 214 E C 2.107 178.646 176.600 -0.103 0.000 1.035 214 E CA 2.030 58.366 56.400 -0.106 0.000 0.838 214 E CB -0.075 29.559 29.700 -0.110 0.000 0.748 214 E HN 0.561 nan 8.360 nan 0.000 0.459 215 I N -0.945 119.509 120.570 -0.194 0.000 2.628 215 I HA -0.133 4.058 4.170 0.034 0.000 0.255 215 I C 1.641 177.803 176.117 0.075 0.000 1.119 215 I CA 0.126 61.360 61.300 -0.111 0.000 1.448 215 I CB -0.026 37.847 38.000 -0.213 0.000 1.133 215 I HN 0.132 nan 8.210 nan 0.000 0.438 216 Y N 0.544 120.962 120.300 0.197 0.000 2.145 216 Y HA -0.220 4.351 4.550 0.034 0.000 0.286 216 Y C 2.674 178.758 175.900 0.307 0.000 1.145 216 Y CA 1.105 59.400 58.100 0.326 0.000 1.148 216 Y CB -0.916 37.720 38.460 0.294 0.000 0.981 216 Y HN -0.020 nan 8.280 nan 0.000 0.507 217 R N 0.701 121.372 120.500 0.286 0.000 2.096 217 R HA -0.181 4.180 4.340 0.034 0.000 0.235 217 R C 2.208 178.586 176.300 0.129 0.000 1.127 217 R CA 1.605 57.795 56.100 0.151 0.000 0.968 217 R CB -0.369 29.973 30.300 0.070 0.000 0.861 217 R HN 0.562 nan 8.270 nan 0.000 0.440 218 E N -0.885 119.378 120.200 0.105 0.000 2.007 218 E HA -0.282 4.089 4.350 0.034 0.000 0.203 218 E C 1.542 178.205 176.600 0.104 0.000 1.020 218 E CA 1.882 58.299 56.400 0.028 0.000 0.845 218 E CB -0.491 29.152 29.700 -0.093 0.000 0.779 218 E HN 0.440 nan 8.360 nan 0.000 0.466 219 Y N 0.264 120.705 120.300 0.235 0.000 2.333 219 Y HA -0.098 4.473 4.550 0.035 0.000 0.290 219 Y C 2.284 178.519 175.900 0.559 0.000 1.144 219 Y CA 1.052 59.377 58.100 0.375 0.000 1.228 219 Y CB -0.488 38.163 38.460 0.319 0.000 0.985 219 Y HN 0.296 nan 8.280 nan 0.000 0.542 220 A N 0.568 123.732 122.820 0.574 0.000 1.898 220 A HA -0.217 4.123 4.320 0.034 0.000 0.216 220 A C 2.140 179.738 177.584 0.023 0.000 1.181 220 A CA 1.783 53.931 52.037 0.185 0.000 0.620 220 A CB -0.644 18.299 19.000 -0.096 0.000 0.819 220 A HN 0.621 nan 8.150 nan 0.000 0.442 221 E N -0.883 119.341 120.200 0.039 0.000 2.274 221 E HA -0.133 4.238 4.350 0.034 0.000 0.194 221 E C 1.651 178.274 176.600 0.038 0.000 0.996 221 E CA 0.811 57.201 56.400 -0.017 0.000 0.840 221 E CB -0.213 29.488 29.700 0.002 0.000 0.772 221 E HN 0.305 nan 8.360 nan 0.000 0.491 222 K N 1.089 121.571 120.400 0.137 0.000 2.442 222 K HA -0.065 4.276 4.320 0.034 0.000 0.199 222 K C 1.530 178.201 176.600 0.119 0.000 1.044 222 K CA 0.702 57.099 56.287 0.183 0.000 0.941 222 K CB 0.033 32.751 32.500 0.364 0.000 0.759 222 K HN 0.345 nan 8.250 nan 0.000 0.472 223 L N -0.611 120.627 121.223 0.024 0.000 2.731 223 L HA 0.057 4.417 4.340 0.034 0.000 0.240 223 L C 1.438 178.199 176.870 -0.180 0.000 1.120 223 L CA -0.116 54.639 54.840 -0.140 0.000 0.913 223 L CB 0.642 42.546 42.059 -0.257 0.000 1.213 223 L HN -0.238 nan 8.230 nan 0.000 0.515 224 V N -1.328 118.496 119.914 -0.150 0.000 3.644 224 V HA -0.007 4.134 4.120 0.034 0.000 0.267 224 V C 2.120 178.207 176.094 -0.012 0.000 1.277 224 V CA 0.717 62.920 62.300 -0.162 0.000 1.096 224 V CB 0.341 31.989 31.823 -0.293 0.000 0.828 224 V HN 0.335 nan 8.190 nan 0.000 0.446 225 E N 1.604 121.804 120.200 -0.000 0.000 2.001 225 E HA -0.166 4.205 4.350 0.034 0.000 0.195 225 E C 1.017 177.632 176.600 0.025 0.000 1.002 225 E CA 1.605 58.023 56.400 0.030 0.000 0.819 225 E CB -0.273 29.448 29.700 0.035 0.000 0.769 225 E HN 0.556 nan 8.360 nan 0.000 0.454 226 D N 0.162 120.557 120.400 -0.007 0.000 2.354 226 D HA -0.035 4.625 4.640 0.034 0.000 0.238 226 D C 0.264 176.560 176.300 -0.007 0.000 1.250 226 D CA 0.351 54.336 54.000 -0.026 0.000 0.911 226 D CB 0.566 41.320 40.800 -0.076 0.000 1.163 226 D HN 0.326 nan 8.370 nan 0.000 0.456 227 K N 1.052 121.445 120.400 -0.012 0.000 2.743 227 K HA 0.039 4.380 4.320 0.034 0.000 0.219 227 K C 0.815 177.384 176.600 -0.051 0.000 1.003 227 K CA 0.220 56.538 56.287 0.053 0.000 1.156 227 K CB 0.396 32.892 32.500 -0.008 0.000 0.932 227 K HN -0.013 nan 8.250 nan 0.000 0.490 228 R N 0.293 120.671 120.500 -0.204 0.000 2.225 228 R HA 0.274 4.635 4.340 0.034 0.000 0.194 228 R C 0.452 176.366 176.300 -0.643 0.000 0.949 228 R CA 0.512 56.325 56.100 -0.479 0.000 1.088 228 R CB 0.479 30.453 30.300 -0.542 0.000 1.106 228 R HN 0.267 nan 8.270 nan 0.000 0.566 229 A N 0.569 123.097 122.820 -0.487 0.000 2.384 229 A HA 0.726 5.066 4.320 0.034 0.000 0.312 229 A C -1.264 176.018 177.584 -0.503 0.000 1.113 229 A CA -0.582 51.156 52.037 -0.498 0.000 0.779 229 A CB 1.141 19.848 19.000 -0.489 0.000 1.307 229 A HN 0.190 nan 8.150 nan 0.000 0.436 230 Y N -1.848 118.026 120.300 -0.710 0.000 2.615 230 Y HA 0.774 5.344 4.550 0.034 0.000 0.341 230 Y C -1.560 173.987 175.900 -0.588 0.000 1.089 230 Y CA -1.826 55.825 58.100 -0.749 0.000 1.049 230 Y CB 0.539 38.476 38.460 -0.873 0.000 1.296 230 Y HN 0.570 nan 8.280 nan 0.000 0.470 231 Y N 0.579 120.721 120.300 -0.264 0.000 2.376 231 Y HA 0.665 5.237 4.550 0.036 0.000 0.325 231 Y C -0.436 175.318 175.900 -0.245 0.000 1.199 231 Y CA -0.935 57.005 58.100 -0.268 0.000 1.206 231 Y CB 1.877 40.227 38.460 -0.183 0.000 1.229 231 Y HN 0.507 nan 8.280 nan 0.000 0.480 232 V N 3.287 123.162 119.914 -0.064 0.000 2.623 232 V HA 0.424 4.565 4.120 0.034 0.000 0.304 232 V C -0.835 175.146 176.094 -0.187 0.000 1.054 232 V CA -0.886 61.310 62.300 -0.172 0.000 0.882 232 V CB 1.799 33.467 31.823 -0.258 0.000 1.002 232 V HN 0.519 nan 8.190 nan 0.000 0.424 233 V N 4.976 124.776 119.914 -0.190 0.000 2.630 233 V HA 0.633 4.774 4.120 0.034 0.000 0.305 233 V C -0.875 175.105 176.094 -0.191 0.000 1.046 233 V CA -0.556 61.747 62.300 0.005 0.000 0.934 233 V CB 1.967 33.974 31.823 0.307 0.000 1.003 233 V HN 0.788 nan 8.190 nan 0.000 0.451 234 Y N -0.054 120.380 120.300 0.223 0.000 2.686 234 Y HA 0.459 5.030 4.550 0.034 0.000 0.330 234 Y C 0.179 176.249 175.900 0.284 0.000 1.082 234 Y CA -1.099 57.119 58.100 0.198 0.000 1.158 234 Y CB 0.758 39.312 38.460 0.155 0.000 1.333 234 Y HN 0.539 nan 8.280 nan 0.000 0.519 235 D N 0.771 121.405 120.400 0.391 0.000 2.351 235 D HA 0.081 4.742 4.640 0.034 0.000 0.251 235 D C 0.409 176.857 176.300 0.246 0.000 1.137 235 D CA 0.178 54.360 54.000 0.302 0.000 0.879 235 D CB 1.263 42.175 40.800 0.186 0.000 1.181 235 D HN 0.526 nan 8.370 nan 0.000 0.448 236 K N 2.304 122.792 120.400 0.146 0.000 2.034 236 K HA -0.206 4.134 4.320 0.034 0.000 0.214 236 K C 0.947 177.544 176.600 -0.004 0.000 1.051 236 K CA 1.336 57.580 56.287 -0.071 0.000 0.931 236 K CB 0.059 32.416 32.500 -0.238 0.000 0.715 236 K HN 0.473 nan 8.250 nan 0.000 0.446 237 E N 0.574 120.785 120.200 0.019 0.000 2.542 237 E HA 0.000 4.371 4.350 0.034 0.000 0.224 237 E C -1.372 175.248 176.600 0.033 0.000 1.110 237 E CA -0.169 56.241 56.400 0.016 0.000 1.350 237 E CB 0.366 30.070 29.700 0.005 0.000 1.302 237 E HN 0.122 nan 8.360 nan 0.000 0.435 238 D N -0.352 120.079 120.400 0.051 0.000 2.842 238 D HA 0.029 4.690 4.640 0.034 0.000 0.178 238 D C -2.532 173.811 176.300 0.071 0.000 1.244 238 D CA -0.950 53.081 54.000 0.052 0.000 1.403 238 D CB 0.474 41.309 40.800 0.058 0.000 1.293 238 D HN -0.048 nan 8.370 nan 0.000 0.680 239 P HA -0.005 nan 4.420 nan 0.000 0.250 239 P C 0.904 178.155 177.300 -0.082 0.000 1.239 239 P CA 0.513 63.595 63.100 -0.030 0.000 0.756 239 P CB 0.427 32.070 31.700 -0.094 0.000 1.013 240 S N -0.006 115.716 115.700 0.036 0.000 2.355 240 S HA -0.008 4.483 4.470 0.034 0.000 0.216 240 S C 0.877 175.610 174.600 0.222 0.000 1.037 240 S CA 0.108 58.350 58.200 0.071 0.000 0.955 240 S CB -0.345 62.890 63.200 0.058 0.000 0.877 240 S HN 0.178 nan 8.310 nan 0.000 0.488 241 K N 1.987 122.515 120.400 0.213 0.000 2.368 241 K HA 0.200 4.541 4.320 0.034 0.000 0.282 241 K C -0.814 175.942 176.600 0.260 0.000 1.035 241 K CA -0.061 56.349 56.287 0.205 0.000 0.973 241 K CB 0.578 33.154 32.500 0.127 0.000 0.957 241 K HN 0.230 nan 8.250 nan 0.000 0.474 242 E N 2.881 123.171 120.200 0.150 0.000 2.283 242 E HA 0.052 4.423 4.350 0.034 0.000 0.278 242 E C -0.009 176.575 176.600 -0.027 0.000 1.027 242 E CA -0.581 55.794 56.400 -0.041 0.000 0.843 242 E CB 1.065 30.721 29.700 -0.074 0.000 1.062 242 E HN 0.476 nan 8.360 nan 0.000 0.401 243 L N 3.173 124.361 121.223 -0.058 0.000 2.546 243 L HA 0.204 4.565 4.340 0.034 0.000 0.185 243 L C 0.432 177.346 176.870 0.073 0.000 1.247 243 L CA 1.064 55.892 54.840 -0.020 0.000 0.848 243 L CB -0.393 41.616 42.059 -0.083 0.000 1.133 243 L HN 0.552 nan 8.230 nan 0.000 0.504 244 F N -2.391 117.443 119.950 -0.193 0.000 2.979 244 F HA 0.677 5.225 4.527 0.035 0.000 0.370 244 F C 0.662 176.390 175.800 -0.119 0.000 1.320 244 F CA -0.506 57.395 58.000 -0.165 0.000 1.095 244 F CB 0.170 39.050 39.000 -0.199 0.000 1.553 244 F HN 0.021 nan 8.300 nan 0.000 0.493 245 T N -4.362 110.069 114.554 -0.204 0.000 3.367 245 T HA 0.121 4.491 4.350 0.034 0.000 0.273 245 T C 0.643 175.243 174.700 -0.166 0.000 0.879 245 T CA 0.595 62.605 62.100 -0.150 0.000 0.952 245 T CB -0.698 68.164 68.868 -0.011 0.000 1.236 245 T HN 0.727 nan 8.240 nan 0.000 0.532 246 T N 1.875 116.311 114.554 -0.197 0.000 2.902 246 T HA -0.038 4.332 4.350 0.034 0.000 0.317 246 T C 0.379 175.141 174.700 0.103 0.000 1.064 246 T CA 0.397 62.491 62.100 -0.009 0.000 1.130 246 T CB -0.230 68.608 68.868 -0.052 0.000 1.073 246 T HN 0.400 nan 8.240 nan 0.000 0.524 247 Y N 1.342 121.615 120.300 -0.046 0.000 2.809 247 Y HA 0.019 4.589 4.550 0.033 0.000 0.329 247 Y C 1.250 177.206 175.900 0.093 0.000 1.202 247 Y CA -0.235 57.883 58.100 0.029 0.000 1.334 247 Y CB 0.086 38.528 38.460 -0.031 0.000 1.027 247 Y HN 0.543 nan 8.280 nan 0.000 0.512 248 E N -0.613 119.692 120.200 0.175 0.000 2.238 248 E HA 0.166 4.537 4.350 0.034 0.000 0.267 248 E C -1.206 175.331 176.600 -0.105 0.000 0.887 248 E CA -0.901 55.536 56.400 0.062 0.000 0.769 248 E CB 0.833 30.523 29.700 -0.016 0.000 1.187 248 E HN 0.220 nan 8.360 nan 0.000 0.416 249 Y N 4.516 124.558 120.300 -0.430 0.000 2.729 249 Y HA 0.104 4.675 4.550 0.035 0.000 0.331 249 Y C -1.635 173.918 175.900 -0.579 0.000 1.208 249 Y CA -1.887 55.729 58.100 -0.806 0.000 1.521 249 Y CB 0.786 38.868 38.460 -0.630 0.000 1.233 249 Y HN 0.438 nan 8.280 nan 0.000 0.539 250 P HA 0.004 nan 4.420 nan 0.000 0.232 250 P C 0.224 177.416 177.300 -0.180 0.000 1.738 250 P CA 0.391 63.382 63.100 -0.183 0.000 0.948 250 P CB -0.216 31.442 31.700 -0.071 0.000 1.943 251 H N 1.258 120.052 119.070 -0.459 0.000 2.384 251 H HA -0.273 4.304 4.556 0.035 0.000 0.283 251 H C 1.857 177.088 175.328 -0.161 0.000 1.093 251 H CA 2.258 58.044 56.048 -0.436 0.000 1.165 251 H CB -0.801 28.805 29.762 -0.261 0.000 1.430 251 H HN 0.370 nan 8.280 nan 0.000 0.602 252 E N -0.234 120.056 120.200 0.149 0.000 2.086 252 E HA -0.257 4.114 4.350 0.034 0.000 0.205 252 E C 2.238 178.920 176.600 0.136 0.000 1.027 252 E CA 1.713 58.193 56.400 0.132 0.000 0.830 252 E CB -0.352 29.466 29.700 0.197 0.000 0.751 252 E HN 0.567 nan 8.360 nan 0.000 0.456 253 Y N -0.154 120.193 120.300 0.078 0.000 2.373 253 Y HA -0.056 4.515 4.550 0.035 0.000 0.293 253 Y C 2.357 178.372 175.900 0.192 0.000 1.129 253 Y CA 1.036 59.221 58.100 0.143 0.000 1.226 253 Y CB 0.195 38.743 38.460 0.147 0.000 1.000 253 Y HN -0.023 nan 8.280 nan 0.000 0.549 254 K N -0.172 120.365 120.400 0.228 0.000 2.365 254 K HA -0.077 4.264 4.320 0.034 0.000 0.197 254 K C 1.322 177.994 176.600 0.120 0.000 1.042 254 K CA 0.636 57.036 56.287 0.189 0.000 0.987 254 K CB 0.305 32.905 32.500 0.167 0.000 0.779 254 K HN 0.138 nan 8.250 nan 0.000 0.484 255 E N 0.094 120.336 120.200 0.070 0.000 2.415 255 E HA 0.012 4.383 4.350 0.034 0.000 0.197 255 E C 0.834 177.444 176.600 0.017 0.000 1.007 255 E CA 0.420 56.838 56.400 0.030 0.000 0.890 255 E CB 0.503 30.198 29.700 -0.008 0.000 0.891 255 E HN 0.129 nan 8.360 nan 0.000 0.496 256 K N 0.251 120.668 120.400 0.028 0.000 2.525 256 K HA 0.050 4.391 4.320 0.034 0.000 0.192 256 K C 0.458 177.041 176.600 -0.028 0.000 1.029 256 K CA 0.517 56.798 56.287 -0.010 0.000 1.029 256 K CB 0.205 32.672 32.500 -0.055 0.000 0.814 256 K HN 0.149 nan 8.250 nan 0.000 0.503 257 G N 2.171 110.984 108.800 0.023 0.000 2.341 257 G HA2 -0.227 3.753 3.960 0.034 0.000 0.278 257 G HA3 -0.227 3.753 3.960 0.034 0.000 0.278 257 G C -0.721 174.114 174.900 -0.108 0.000 1.111 257 G CA -0.061 45.023 45.100 -0.026 0.000 0.982 257 G HN 0.442 nan 8.290 nan 0.000 0.502 258 H N 0.045 119.184 119.070 0.114 0.000 2.676 258 H HA 0.727 5.303 4.556 0.035 0.000 0.352 258 H C -1.883 173.564 175.328 0.199 0.000 1.193 258 H CA -1.281 54.873 56.048 0.177 0.000 1.243 258 H CB 1.757 31.682 29.762 0.273 0.000 1.751 258 H HN 0.266 nan 8.280 nan 0.000 0.567 259 P HA 0.282 nan 4.420 nan 0.000 0.285 259 P C -1.317 176.228 177.300 0.408 0.000 1.269 259 P CA -0.711 62.579 63.100 0.316 0.000 0.844 259 P CB 1.713 33.546 31.700 0.222 0.000 1.094 260 V N -1.874 118.236 119.914 0.326 0.000 2.686 260 V HA 0.655 4.796 4.120 0.034 0.000 0.306 260 V C -0.099 176.154 176.094 0.264 0.000 1.065 260 V CA -0.679 61.814 62.300 0.321 0.000 0.894 260 V CB 1.112 33.104 31.823 0.281 0.000 1.004 260 V HN 0.710 nan 8.190 nan 0.000 0.424 261 T N 2.085 116.797 114.554 0.264 0.000 2.943 261 T HA 0.837 5.208 4.350 0.034 0.000 0.284 261 T C -0.234 174.426 174.700 -0.067 0.000 1.015 261 T CA -0.682 61.482 62.100 0.107 0.000 1.042 261 T CB 1.930 70.879 68.868 0.135 0.000 1.055 261 T HN 0.664 nan 8.240 nan 0.000 0.500 262 I N 1.162 121.599 120.570 -0.222 0.000 2.404 262 I HA 0.476 4.667 4.170 0.034 0.000 0.293 262 I C 0.087 175.896 176.117 -0.512 0.000 0.992 262 I CA -0.992 60.014 61.300 -0.489 0.000 1.149 262 I CB 1.603 39.261 38.000 -0.571 0.000 1.315 262 I HN 0.471 nan 8.210 nan 0.000 0.446 263 K N 4.531 124.478 120.400 -0.755 0.000 2.221 263 K HA 0.500 4.841 4.320 0.034 0.000 0.243 263 K C -1.107 175.133 176.600 -0.600 0.000 0.968 263 K CA -0.693 55.191 56.287 -0.672 0.000 0.846 263 K CB 2.249 34.288 32.500 -0.769 0.000 1.141 263 K HN 0.367 nan 8.250 nan 0.000 0.434 264 F N 1.973 121.510 119.950 -0.688 0.000 2.411 264 F HA 0.228 4.774 4.527 0.031 0.000 0.355 264 F C 0.178 175.741 175.800 -0.396 0.000 1.117 264 F CA -0.699 56.922 58.000 -0.630 0.000 1.139 264 F CB 0.819 39.246 39.000 -0.955 0.000 1.120 264 F HN 0.158 nan 8.300 nan 0.000 0.493 265 K N 6.136 126.153 120.400 -0.639 0.000 2.237 265 K HA 0.190 4.531 4.320 0.034 0.000 0.283 265 K C -0.866 175.531 176.600 -0.339 0.000 1.080 265 K CA -0.021 56.050 56.287 -0.359 0.000 0.965 265 K CB -0.246 32.051 32.500 -0.337 0.000 1.098 265 K HN 0.515 nan 8.250 nan 0.000 0.434 266 V N 6.265 126.171 119.914 -0.013 0.000 2.599 266 V HA -0.032 4.109 4.120 0.034 0.000 0.300 266 V C 0.365 176.480 176.094 0.035 0.000 1.034 266 V CA 0.012 62.396 62.300 0.140 0.000 1.115 266 V CB 0.342 32.282 31.823 0.196 0.000 0.934 266 V HN 0.546 nan 8.190 nan 0.000 0.485 267 L N 8.271 129.523 121.223 0.049 0.000 2.358 267 L HA 0.623 4.984 4.340 0.034 0.000 0.268 267 L C -1.890 175.011 176.870 0.052 0.000 1.032 267 L CA -2.019 52.833 54.840 0.021 0.000 0.805 267 L CB 1.314 43.374 42.059 0.002 0.000 1.253 267 L HN 0.464 nan 8.230 nan 0.000 0.452 268 P HA 0.496 nan 4.420 nan 0.000 0.277 268 P C -0.281 177.050 177.300 0.052 0.000 1.240 268 P CA 0.032 63.160 63.100 0.047 0.000 0.798 268 P CB 1.746 33.467 31.700 0.035 0.000 0.979 269 G N 1.133 109.968 108.800 0.059 0.000 2.373 269 G HA2 0.199 4.180 3.960 0.034 0.000 0.250 269 G HA3 0.199 4.180 3.960 0.034 0.000 0.250 269 G C -1.852 173.092 174.900 0.074 0.000 1.304 269 G CA -0.694 44.443 45.100 0.062 0.000 0.948 269 G HN 0.516 nan 8.290 nan 0.000 0.474 270 K N -0.172 120.276 120.400 0.079 0.000 2.468 270 K HA 0.678 5.019 4.320 0.034 0.000 0.252 270 K C -1.410 175.253 176.600 0.106 0.000 0.932 270 K CA -0.625 55.719 56.287 0.095 0.000 0.794 270 K CB 2.435 34.986 32.500 0.086 0.000 1.241 270 K HN 0.453 nan 8.250 nan 0.000 0.428 271 T N 1.163 115.798 114.554 0.136 0.000 2.841 271 T HA 0.517 4.888 4.350 0.034 0.000 0.283 271 T C -0.855 173.968 174.700 0.205 0.000 1.000 271 T CA -0.574 61.609 62.100 0.139 0.000 0.977 271 T CB 1.414 70.345 68.868 0.105 0.000 0.979 271 T HN 0.716 nan 8.240 nan 0.000 0.446 272 S N 2.422 118.222 115.700 0.166 0.000 2.625 272 S HA 0.943 5.433 4.470 0.034 0.000 0.271 272 S C -1.451 173.266 174.600 0.196 0.000 1.161 272 S CA -0.968 57.294 58.200 0.103 0.000 0.820 272 S CB 1.540 64.690 63.200 -0.083 0.000 1.137 272 S HN 0.864 nan 8.310 nan 0.000 0.470 273 F N -1.462 118.294 119.950 -0.323 0.000 2.807 273 F HA 0.830 5.375 4.527 0.029 0.000 0.316 273 F C -0.829 174.808 175.800 -0.272 0.000 1.162 273 F CA -1.115 56.741 58.000 -0.239 0.000 0.910 273 F CB 0.534 39.401 39.000 -0.220 0.000 1.314 273 F HN 0.687 nan 8.300 nan 0.000 0.454 274 E N 0.622 120.805 120.200 -0.028 0.000 2.312 274 E HA 0.451 4.822 4.350 0.034 0.000 0.259 274 E C -1.674 174.936 176.600 0.017 0.000 1.122 274 E CA -0.063 56.291 56.400 -0.077 0.000 0.922 274 E CB 1.007 30.744 29.700 0.062 0.000 1.109 274 E HN 0.686 nan 8.360 nan 0.000 0.442 275 D N 2.174 122.567 120.400 -0.012 0.000 2.452 275 D HA 0.089 4.749 4.640 0.034 0.000 0.226 275 D C 0.177 176.514 176.300 0.062 0.000 1.366 275 D CA -0.341 53.729 54.000 0.117 0.000 0.986 275 D CB 0.594 41.411 40.800 0.029 0.000 1.420 275 D HN 0.333 nan 8.370 nan 0.000 0.583 276 L N 2.701 123.971 121.223 0.079 0.000 2.151 276 L HA -0.187 4.173 4.340 0.034 0.000 0.215 276 L C 2.046 178.889 176.870 -0.045 0.000 1.084 276 L CA 1.442 56.281 54.840 -0.002 0.000 0.764 276 L CB -0.373 41.652 42.059 -0.057 0.000 0.891 276 L HN 0.562 nan 8.230 nan 0.000 0.435 277 L N -1.014 120.184 121.223 -0.042 0.000 2.349 277 L HA 0.057 4.418 4.340 0.034 0.000 0.200 277 L C 1.584 178.421 176.870 -0.055 0.000 1.064 277 L CA 1.112 55.910 54.840 -0.071 0.000 0.821 277 L CB -0.238 41.760 42.059 -0.100 0.000 1.027 277 L HN 0.247 nan 8.230 nan 0.000 0.476 278 K N 1.157 121.535 120.400 -0.036 0.000 2.520 278 K HA 0.214 4.555 4.320 0.034 0.000 0.205 278 K C 0.807 177.345 176.600 -0.104 0.000 1.035 278 K CA 0.515 56.763 56.287 -0.066 0.000 1.188 278 K CB 0.019 32.481 32.500 -0.063 0.000 0.894 278 K HN 0.389 nan 8.250 nan 0.000 0.497 279 G N 2.096 110.848 108.800 -0.079 0.000 2.649 279 G HA2 -0.356 3.624 3.960 0.034 0.000 0.281 279 G HA3 -0.356 3.624 3.960 0.034 0.000 0.281 279 G C -0.241 174.583 174.900 -0.127 0.000 1.325 279 G CA -0.029 45.031 45.100 -0.067 0.000 0.916 279 G HN 0.515 nan 8.290 nan 0.000 0.562 280 Y N 0.404 120.589 120.300 -0.192 0.000 2.712 280 Y HA 0.469 5.031 4.550 0.020 0.000 0.333 280 Y C 0.821 176.504 175.900 -0.362 0.000 1.225 280 Y CA 0.183 58.133 58.100 -0.250 0.000 1.499 280 Y CB 0.275 38.637 38.460 -0.163 0.000 1.288 280 Y HN 0.522 nan 8.280 nan 0.000 0.575 281 M N 6.532 125.399 119.600 -1.221 0.000 2.378 281 M HA 0.263 4.764 4.480 0.034 0.000 0.289 281 M C -1.337 174.354 176.300 -1.015 0.000 1.136 281 M CA -0.551 54.135 55.300 -1.023 0.000 0.917 281 M CB 2.211 34.054 32.600 -1.261 0.000 1.669 281 M HN 0.840 nan 8.290 nan 0.000 0.461 282 E N 1.767 121.516 120.200 -0.751 0.000 2.366 282 E HA 0.540 4.911 4.350 0.034 0.000 0.278 282 E C -1.384 174.907 176.600 -0.515 0.000 0.923 282 E CA -0.347 55.814 56.400 -0.398 0.000 0.761 282 E CB 1.975 31.639 29.700 -0.059 0.000 1.231 282 E HN 0.568 nan 8.360 nan 0.000 0.443 283 F N 0.944 120.897 119.950 0.006 0.000 2.671 283 F HA 0.185 4.731 4.527 0.031 0.000 0.303 283 F C 0.330 176.146 175.800 0.026 0.000 0.935 283 F CA 0.611 58.620 58.000 0.016 0.000 1.136 283 F CB 0.569 39.580 39.000 0.018 0.000 0.929 283 F HN 0.659 nan 8.300 nan 0.000 0.659 284 D N 1.607 122.130 120.400 0.205 0.000 10.981 284 D HA -0.243 4.418 4.640 0.034 0.000 0.357 284 D C -0.759 175.627 176.300 0.144 0.000 3.119 284 D CA 1.072 55.157 54.000 0.140 0.000 2.642 284 D CB -0.159 40.699 40.800 0.097 0.000 1.160 284 D HN 0.455 nan 8.370 nan 0.000 0.934 285 N N 0.762 119.531 118.700 0.114 0.000 2.235 285 N HA 0.200 4.960 4.740 0.034 0.000 0.231 285 N C 0.346 175.914 175.510 0.098 0.000 1.177 285 N CA -0.337 52.780 53.050 0.111 0.000 0.874 285 N CB 1.022 39.580 38.487 0.118 0.000 1.097 285 N HN 0.174 nan 8.380 nan 0.000 0.518 286 S N -0.563 115.188 115.700 0.085 0.000 2.593 286 S HA -0.035 4.455 4.470 0.034 0.000 0.217 286 S C 1.682 176.326 174.600 0.073 0.000 0.966 286 S CA 0.802 59.045 58.200 0.071 0.000 0.914 286 S CB -0.145 63.089 63.200 0.057 0.000 0.776 286 S HN 0.662 nan 8.310 nan 0.000 0.523 287 T N -1.227 113.377 114.554 0.085 0.000 3.015 287 T HA 0.287 4.658 4.350 0.034 0.000 0.250 287 T C 0.349 175.097 174.700 0.081 0.000 1.057 287 T CA -0.115 62.034 62.100 0.081 0.000 1.066 287 T CB 0.004 68.929 68.868 0.094 0.000 0.959 287 T HN 0.036 nan 8.240 nan 0.000 0.488 288 L N 3.421 124.700 121.223 0.094 0.000 2.264 288 L HA 0.525 4.885 4.340 0.034 0.000 0.287 288 L C -0.225 176.739 176.870 0.156 0.000 1.039 288 L CA -0.435 54.470 54.840 0.108 0.000 0.829 288 L CB 0.542 42.664 42.059 0.104 0.000 1.211 288 L HN 0.427 nan 8.230 nan 0.000 0.427 289 E N 1.404 121.693 120.200 0.148 0.000 2.366 289 E HA 0.107 4.478 4.350 0.034 0.000 0.266 289 E C -0.515 176.218 176.600 0.222 0.000 1.051 289 E CA -0.764 55.727 56.400 0.152 0.000 0.884 289 E CB 0.709 30.479 29.700 0.116 0.000 1.006 289 E HN 0.297 nan 8.360 nan 0.000 0.417 290 D N 1.754 122.256 120.400 0.169 0.000 2.923 290 D HA -0.091 4.570 4.640 0.034 0.000 0.220 290 D C -0.962 175.439 176.300 0.169 0.000 1.099 290 D CA 0.902 54.986 54.000 0.140 0.000 0.807 290 D CB -0.199 40.691 40.800 0.150 0.000 1.155 290 D HN 0.314 nan 8.370 nan 0.000 0.524 291 F N 0.840 120.832 119.950 0.070 0.000 2.529 291 F HA 0.479 5.025 4.527 0.032 0.000 0.320 291 F C -0.372 175.409 175.800 -0.033 0.000 1.118 291 F CA -1.881 56.129 58.000 0.017 0.000 0.915 291 F CB 0.389 39.392 39.000 0.005 0.000 1.161 291 F HN 0.005 nan 8.300 nan 0.000 0.445 292 I N 3.935 124.581 120.570 0.127 0.000 2.996 292 I HA -0.021 4.170 4.170 0.034 0.000 0.310 292 I C 0.789 176.934 176.117 0.047 0.000 1.225 292 I CA 0.302 61.611 61.300 0.015 0.000 1.442 292 I CB -0.480 37.553 38.000 0.054 0.000 1.334 292 I HN 0.873 nan 8.210 nan 0.000 0.550 293 I N 1.992 122.477 120.570 -0.141 0.000 4.102 293 I HA 0.596 4.786 4.170 0.034 0.000 0.325 293 I C 0.085 176.035 176.117 -0.279 0.000 1.471 293 I CA -0.145 61.039 61.300 -0.194 0.000 1.133 293 I CB 0.431 38.123 38.000 -0.514 0.000 1.184 293 I HN 0.548 nan 8.210 nan 0.000 0.451 294 M N 2.302 121.799 119.600 -0.172 0.000 2.265 294 M HA 0.407 4.908 4.480 0.034 0.000 0.262 294 M C -0.986 175.309 176.300 -0.008 0.000 1.026 294 M CA -0.269 54.979 55.300 -0.088 0.000 0.987 294 M CB 1.885 34.397 32.600 -0.147 0.000 1.937 294 M HN -0.000 nan 8.290 nan 0.000 0.481 295 K N 0.839 121.275 120.400 0.060 0.000 2.156 295 K HA 0.269 4.609 4.320 0.034 0.000 0.242 295 K C 0.969 177.622 176.600 0.090 0.000 1.033 295 K CA 0.502 56.834 56.287 0.076 0.000 0.878 295 K CB 0.293 32.861 32.500 0.114 0.000 1.057 295 K HN 0.832 nan 8.250 nan 0.000 0.505 296 S N -0.015 115.729 115.700 0.073 0.000 2.442 296 S HA -0.164 4.327 4.470 0.034 0.000 0.236 296 S C 0.952 175.621 174.600 0.116 0.000 1.007 296 S CA 1.401 59.654 58.200 0.088 0.000 0.965 296 S CB -0.492 62.726 63.200 0.031 0.000 0.773 296 S HN 0.714 nan 8.310 nan 0.000 0.504 297 N N 0.239 119.024 118.700 0.142 0.000 2.380 297 N HA 0.437 5.198 4.740 0.034 0.000 0.255 297 N C 0.964 176.615 175.510 0.236 0.000 1.158 297 N CA 0.113 53.278 53.050 0.192 0.000 0.878 297 N CB 0.122 38.740 38.487 0.218 0.000 1.138 297 N HN 0.366 nan 8.380 nan 0.000 0.509 298 G N -1.063 107.830 108.800 0.154 0.000 2.220 298 G HA2 -0.320 3.660 3.960 0.034 0.000 0.269 298 G HA3 -0.320 3.660 3.960 0.034 0.000 0.269 298 G C -0.210 174.710 174.900 0.033 0.000 0.977 298 G CA 0.224 45.366 45.100 0.070 0.000 0.634 298 G HN 0.367 nan 8.290 nan 0.000 0.539 299 F N 2.808 122.813 119.950 0.091 0.000 2.379 299 F HA 0.531 5.078 4.527 0.034 0.000 0.332 299 F C -1.027 174.804 175.800 0.051 0.000 1.096 299 F CA -1.926 56.133 58.000 0.098 0.000 1.105 299 F CB 1.396 40.435 39.000 0.066 0.000 1.189 299 F HN -0.119 nan 8.300 nan 0.000 0.515 300 P HA 0.120 nan 4.420 nan 0.000 0.274 300 P C -0.610 176.734 177.300 0.073 0.000 1.256 300 P CA -0.308 62.812 63.100 0.033 0.000 0.795 300 P CB 0.642 32.146 31.700 -0.326 0.000 1.038 301 T N 0.234 114.831 114.554 0.071 0.000 2.874 301 T HA 0.080 4.451 4.350 0.034 0.000 0.281 301 T C 1.021 175.773 174.700 0.086 0.000 0.994 301 T CA -0.054 62.099 62.100 0.088 0.000 1.015 301 T CB 0.254 69.183 68.868 0.101 0.000 1.028 301 T HN 0.420 nan 8.240 nan 0.000 0.523 302 Y N 2.532 122.826 120.300 -0.010 0.000 2.053 302 Y HA -0.319 4.252 4.550 0.035 0.000 0.277 302 Y C 2.223 178.092 175.900 -0.051 0.000 1.159 302 Y CA 2.058 60.132 58.100 -0.043 0.000 1.125 302 Y CB -0.342 38.092 38.460 -0.042 0.000 0.969 302 Y HN 0.699 nan 8.280 nan 0.000 0.492 303 N N -0.436 117.981 118.700 -0.471 0.000 2.166 303 N HA -0.207 4.554 4.740 0.034 0.000 0.186 303 N C 1.542 176.855 175.510 -0.329 0.000 1.019 303 N CA 1.540 54.197 53.050 -0.655 0.000 0.856 303 N CB -0.413 37.806 38.487 -0.447 0.000 0.993 303 N HN 0.439 nan 8.380 nan 0.000 0.426 304 F N 1.289 121.106 119.950 -0.221 0.000 2.163 304 F HA 0.109 4.656 4.527 0.034 0.000 0.297 304 F C 2.167 177.863 175.800 -0.174 0.000 1.094 304 F CA 0.825 58.749 58.000 -0.127 0.000 1.290 304 F CB -0.441 38.534 39.000 -0.043 0.000 1.017 304 F HN -0.017 nan 8.300 nan 0.000 0.483 305 A N 0.521 123.207 122.820 -0.223 0.000 1.873 305 A HA -0.181 4.159 4.320 0.034 0.000 0.218 305 A C 2.199 179.635 177.584 -0.247 0.000 1.193 305 A CA 2.700 54.494 52.037 -0.405 0.000 0.629 305 A CB -1.590 17.221 19.000 -0.315 0.000 0.826 305 A HN 0.316 nan 8.150 nan 0.000 0.447 306 V N -0.734 119.041 119.914 -0.232 0.000 2.266 306 V HA -0.319 3.822 4.120 0.034 0.000 0.234 306 V C 2.200 178.180 176.094 -0.191 0.000 1.008 306 V CA 2.112 64.313 62.300 -0.164 0.000 0.999 306 V CB -1.872 29.812 31.823 -0.231 0.000 0.650 306 V HN 0.348 nan 8.190 nan 0.000 0.477 307 V N 0.068 119.841 119.914 -0.235 0.000 2.310 307 V HA -0.395 3.746 4.120 0.034 0.000 0.254 307 V C 2.416 178.324 176.094 -0.310 0.000 1.078 307 V CA 2.782 64.874 62.300 -0.346 0.000 1.104 307 V CB -1.246 30.318 31.823 -0.433 0.000 0.786 307 V HN 0.447 nan 8.190 nan 0.000 0.469 308 V N -0.112 119.594 119.914 -0.347 0.000 2.220 308 V HA -0.307 3.834 4.120 0.034 0.000 0.246 308 V C 2.275 178.203 176.094 -0.276 0.000 1.049 308 V CA 2.607 64.705 62.300 -0.338 0.000 1.003 308 V CB -0.785 30.844 31.823 -0.323 0.000 0.634 308 V HN 0.608 nan 8.190 nan 0.000 0.444 309 D N -0.457 119.867 120.400 -0.126 0.000 2.117 309 D HA -0.168 4.493 4.640 0.034 0.000 0.197 309 D C 1.909 178.114 176.300 -0.159 0.000 0.987 309 D CA 1.464 55.399 54.000 -0.109 0.000 0.829 309 D CB -0.408 40.395 40.800 0.004 0.000 0.961 309 D HN 0.453 nan 8.370 nan 0.000 0.460 310 D N -1.405 118.920 120.400 -0.125 0.000 2.219 310 D HA -0.132 4.529 4.640 0.034 0.000 0.205 310 D C 1.770 178.020 176.300 -0.082 0.000 0.970 310 D CA 0.819 54.773 54.000 -0.078 0.000 0.851 310 D CB 0.184 40.989 40.800 0.009 0.000 0.943 310 D HN 0.252 nan 8.370 nan 0.000 0.488 311 H N -0.269 118.612 119.070 -0.315 0.000 2.320 311 H HA 0.160 4.738 4.556 0.036 0.000 0.309 311 H C 1.968 177.011 175.328 -0.474 0.000 1.057 311 H CA 1.086 56.868 56.048 -0.444 0.000 1.374 311 H CB -0.481 28.760 29.762 -0.869 0.000 1.421 311 H HN 0.035 nan 8.280 nan 0.000 0.532 312 L N -0.205 120.634 121.223 -0.641 0.000 2.043 312 L HA -0.193 4.168 4.340 0.034 0.000 0.212 312 L C 2.216 178.862 176.870 -0.374 0.000 1.075 312 L CA 1.574 56.087 54.840 -0.545 0.000 0.752 312 L CB -0.411 41.430 42.059 -0.364 0.000 0.891 312 L HN 0.333 nan 8.230 nan 0.000 0.432 313 M N -0.638 118.731 119.600 -0.385 0.000 2.696 313 M HA 0.000 4.501 4.480 0.034 0.000 0.220 313 M C 0.056 175.936 176.300 -0.701 0.000 1.133 313 M CA 0.359 55.319 55.300 -0.566 0.000 1.016 313 M CB -0.176 32.204 32.600 -0.366 0.000 1.740 313 M HN 0.052 nan 8.290 nan 0.000 0.502 314 R N 1.317 121.504 120.500 -0.522 0.000 3.022 314 R HA -0.164 4.197 4.340 0.034 0.000 0.248 314 R C -1.279 174.865 176.300 -0.260 0.000 0.874 314 R CA 0.381 56.258 56.100 -0.372 0.000 0.626 314 R CB -1.689 28.374 30.300 -0.395 0.000 1.255 314 R HN 0.434 nan 8.270 nan 0.000 0.496 315 I N 1.107 121.581 120.570 -0.161 0.000 2.328 315 I HA 0.075 4.266 4.170 0.034 0.000 0.287 315 I C 1.565 177.658 176.117 -0.040 0.000 1.012 315 I CA -0.331 60.914 61.300 -0.091 0.000 1.195 315 I CB 1.790 39.741 38.000 -0.081 0.000 1.350 315 I HN 0.338 nan 8.210 nan 0.000 0.464 316 S N 3.897 119.607 115.700 0.016 0.000 2.371 316 S HA -0.055 4.436 4.470 0.034 0.000 0.224 316 S C 0.459 174.985 174.600 -0.124 0.000 1.029 316 S CA 0.816 59.030 58.200 0.024 0.000 0.978 316 S CB -0.234 63.084 63.200 0.197 0.000 0.833 316 S HN 0.671 nan 8.310 nan 0.000 0.466 317 H N -0.140 118.898 119.070 -0.053 0.000 2.609 317 H HA 0.686 5.264 4.556 0.037 0.000 0.344 317 H C -1.301 173.869 175.328 -0.264 0.000 1.040 317 H CA -0.726 55.260 56.048 -0.104 0.000 1.216 317 H CB 1.717 31.403 29.762 -0.125 0.000 1.529 317 H HN 0.022 nan 8.280 nan 0.000 0.519 318 V N 4.660 124.510 119.914 -0.106 0.000 2.394 318 V HA 0.288 4.429 4.120 0.034 0.000 0.282 318 V C -0.857 175.451 176.094 0.356 0.000 1.031 318 V CA -0.530 61.723 62.300 -0.078 0.000 0.881 318 V CB 0.455 32.063 31.823 -0.359 0.000 0.982 318 V HN 0.552 nan 8.190 nan 0.000 0.451 319 F N 5.597 125.612 119.950 0.108 0.000 2.496 319 F HA 0.734 5.280 4.527 0.033 0.000 0.341 319 F C 0.331 176.209 175.800 0.130 0.000 1.134 319 F CA -1.296 56.792 58.000 0.146 0.000 0.968 319 F CB 1.472 40.669 39.000 0.330 0.000 1.205 319 F HN 0.588 nan 8.300 nan 0.000 0.436 320 R N -0.002 120.601 120.500 0.173 0.000 2.947 320 R HA 0.874 5.234 4.340 0.034 0.000 0.253 320 R C -0.193 176.143 176.300 0.059 0.000 1.208 320 R CA -1.314 54.864 56.100 0.130 0.000 1.012 320 R CB 0.779 31.146 30.300 0.113 0.000 1.267 320 R HN 0.561 nan 8.270 nan 0.000 0.473 321 G N 0.576 109.441 108.800 0.108 0.000 2.367 321 G HA2 0.057 4.037 3.960 0.034 0.000 0.280 321 G HA3 0.057 4.037 3.960 0.034 0.000 0.280 321 G C 0.289 175.247 174.900 0.098 0.000 1.175 321 G CA -0.277 44.862 45.100 0.066 0.000 1.001 321 G HN 0.800 nan 8.290 nan 0.000 0.437 322 E N 1.600 121.875 120.200 0.125 0.000 2.444 322 E HA -0.308 4.063 4.350 0.034 0.000 0.222 322 E C 1.829 178.512 176.600 0.137 0.000 1.110 322 E CA 1.647 58.152 56.400 0.174 0.000 0.873 322 E CB 0.221 29.972 29.700 0.085 0.000 0.749 322 E HN 0.827 nan 8.360 nan 0.000 0.478 323 D N -0.820 119.596 120.400 0.027 0.000 2.378 323 D HA -0.175 4.486 4.640 0.034 0.000 0.222 323 D C 1.167 177.448 176.300 -0.031 0.000 0.980 323 D CA 1.010 54.975 54.000 -0.059 0.000 0.907 323 D CB -0.162 40.532 40.800 -0.176 0.000 0.899 323 D HN 0.305 nan 8.370 nan 0.000 0.527 324 H N -0.748 118.438 119.070 0.194 0.000 2.755 324 H HA 0.218 4.795 4.556 0.034 0.000 0.273 324 H C 1.614 177.142 175.328 0.334 0.000 1.055 324 H CA -0.442 55.748 56.048 0.237 0.000 1.191 324 H CB 0.530 30.423 29.762 0.217 0.000 1.536 324 H HN 0.082 nan 8.280 nan 0.000 0.529 325 L N 0.796 122.280 121.223 0.435 0.000 1.955 325 L HA -0.111 4.249 4.340 0.034 0.000 0.213 325 L C 1.756 178.642 176.870 0.027 0.000 1.072 325 L CA 1.650 56.553 54.840 0.105 0.000 0.755 325 L CB -0.666 41.443 42.059 0.082 0.000 0.888 325 L HN -0.037 nan 8.230 nan 0.000 0.432 326 S N 0.240 115.980 115.700 0.067 0.000 2.693 326 S HA -0.093 4.398 4.470 0.034 0.000 0.243 326 S C 1.257 175.747 174.600 -0.183 0.000 0.973 326 S CA 0.690 58.864 58.200 -0.042 0.000 0.969 326 S CB -0.657 62.574 63.200 0.051 0.000 0.771 326 S HN 0.490 nan 8.310 nan 0.000 0.542 327 N N -0.035 118.579 118.700 -0.143 0.000 2.257 327 N HA 0.086 4.847 4.740 0.034 0.000 0.200 327 N C 1.184 176.507 175.510 -0.312 0.000 1.163 327 N CA 0.426 53.371 53.050 -0.174 0.000 0.891 327 N CB 0.106 38.618 38.487 0.042 0.000 1.067 327 N HN 0.223 nan 8.380 nan 0.000 0.497 328 T N 1.047 115.364 114.554 -0.394 0.000 2.962 328 T HA -0.000 4.370 4.350 0.034 0.000 0.270 328 T C -1.160 173.096 174.700 -0.741 0.000 1.088 328 T CA 0.602 62.307 62.100 -0.657 0.000 1.127 328 T CB -0.615 67.581 68.868 -1.121 0.000 0.883 328 T HN 0.233 nan 8.240 nan 0.000 0.493 329 P HA -0.053 nan 4.420 nan 0.000 0.210 329 P C 1.499 178.598 177.300 -0.336 0.000 1.191 329 P CA 1.136 63.933 63.100 -0.505 0.000 0.917 329 P CB -0.053 31.273 31.700 -0.623 0.000 0.778 330 K N -0.181 120.004 120.400 -0.358 0.000 2.107 330 K HA -0.255 4.086 4.320 0.034 0.000 0.211 330 K C 2.207 178.664 176.600 -0.239 0.000 1.049 330 K CA 1.739 57.825 56.287 -0.335 0.000 0.927 330 K CB -0.640 31.423 32.500 -0.728 0.000 0.714 330 K HN 0.344 nan 8.250 nan 0.000 0.452 331 Q N 0.511 120.157 119.800 -0.257 0.000 2.123 331 Q HA -0.029 4.332 4.340 0.034 0.000 0.199 331 Q C 2.282 178.307 176.000 0.042 0.000 0.966 331 Q CA 0.854 56.591 55.803 -0.110 0.000 0.845 331 Q CB -0.046 28.644 28.738 -0.080 0.000 0.907 331 Q HN 0.354 nan 8.270 nan 0.000 0.439 332 L N 0.155 121.299 121.223 -0.132 0.000 2.156 332 L HA -0.123 4.238 4.340 0.034 0.000 0.208 332 L C 2.394 179.257 176.870 -0.012 0.000 1.095 332 L CA 0.650 55.423 54.840 -0.111 0.000 0.770 332 L CB -0.249 41.637 42.059 -0.289 0.000 0.914 332 L HN 0.360 nan 8.230 nan 0.000 0.439 333 M N -0.304 119.260 119.600 -0.060 0.000 2.084 333 M HA -0.263 4.238 4.480 0.034 0.000 0.259 333 M C 2.287 178.551 176.300 -0.060 0.000 1.072 333 M CA 1.952 57.238 55.300 -0.023 0.000 1.107 333 M CB -0.629 31.947 32.600 -0.040 0.000 1.299 333 M HN 0.108 nan 8.290 nan 0.000 0.413 334 I N -0.413 119.954 120.570 -0.339 0.000 2.109 334 I HA -0.407 3.784 4.170 0.034 0.000 0.233 334 I C 2.349 178.416 176.117 -0.082 0.000 1.005 334 I CA 2.168 63.289 61.300 -0.298 0.000 1.294 334 I CB -0.819 37.025 38.000 -0.261 0.000 1.005 334 I HN 0.177 nan 8.210 nan 0.000 0.392 335 Y N 0.841 121.097 120.300 -0.073 0.000 2.133 335 Y HA -0.296 4.276 4.550 0.037 0.000 0.279 335 Y C 1.625 177.484 175.900 -0.068 0.000 1.209 335 Y CA 1.758 59.853 58.100 -0.008 0.000 1.152 335 Y CB -0.591 37.908 38.460 0.065 0.000 0.961 335 Y HN 0.421 nan 8.280 nan 0.000 0.512 336 E N -0.359 119.919 120.200 0.130 0.000 2.201 336 E HA 0.551 4.922 4.350 0.034 0.000 0.272 336 E C 0.292 176.899 176.600 0.012 0.000 1.228 336 E CA 0.393 56.835 56.400 0.069 0.000 1.305 336 E CB 0.622 30.370 29.700 0.081 0.000 1.381 336 E HN 0.316 nan 8.360 nan 0.000 0.475 337 A N 1.215 123.977 122.820 -0.096 0.000 2.431 337 A HA 0.102 4.442 4.320 0.034 0.000 0.149 337 A C 0.595 177.966 177.584 -0.356 0.000 1.903 337 A CA -0.369 51.567 52.037 -0.167 0.000 1.329 337 A CB -0.326 18.628 19.000 -0.076 0.000 1.467 337 A HN 0.324 nan 8.150 nan 0.000 0.352 338 F N 1.006 120.682 119.950 -0.456 0.000 2.749 338 F HA 0.414 4.961 4.527 0.033 0.000 0.300 338 F C 1.808 177.259 175.800 -0.582 0.000 1.103 338 F CA 0.683 58.181 58.000 -0.835 0.000 1.342 338 F CB 0.541 38.153 39.000 -2.315 0.000 1.098 338 F HN 0.560 nan 8.300 nan 0.000 0.586 339 G N 0.142 108.867 108.800 -0.126 0.000 2.295 339 G HA2 -0.280 3.701 3.960 0.034 0.000 0.287 339 G HA3 -0.280 3.701 3.960 0.034 0.000 0.287 339 G C -0.491 174.557 174.900 0.246 0.000 1.055 339 G CA -0.258 44.883 45.100 0.068 0.000 0.922 339 G HN 0.165 nan 8.290 nan 0.000 0.503 340 W N -0.150 121.204 121.300 0.091 0.000 2.529 340 W HA 0.614 5.293 4.660 0.032 0.000 0.321 340 W C 0.408 177.002 176.519 0.126 0.000 1.047 340 W CA -2.493 54.850 57.345 -0.004 0.000 1.216 340 W CB 0.874 30.081 29.460 -0.421 0.000 1.357 340 W HN 0.349 nan 8.180 nan 0.000 0.489 341 E N 1.959 122.356 120.200 0.328 0.000 2.585 341 E HA 0.297 4.667 4.350 0.034 0.000 0.252 341 E C 0.229 176.986 176.600 0.261 0.000 0.981 341 E CA 0.313 56.855 56.400 0.236 0.000 0.943 341 E CB 0.515 30.323 29.700 0.180 0.000 0.923 341 E HN 0.412 nan 8.360 nan 0.000 0.486 342 A N 5.301 128.163 122.820 0.069 0.000 2.257 342 A HA 0.616 4.957 4.320 0.034 0.000 0.289 342 A C -2.216 175.325 177.584 -0.071 0.000 1.095 342 A CA -1.220 50.667 52.037 -0.250 0.000 0.836 342 A CB 0.195 18.767 19.000 -0.713 0.000 1.111 342 A HN 0.631 nan 8.150 nan 0.000 0.497 343 P HA 0.470 nan 4.420 nan 0.000 0.283 343 P C -0.776 176.417 177.300 -0.178 0.000 1.278 343 P CA -0.634 62.348 63.100 -0.197 0.000 0.834 343 P CB 0.637 32.150 31.700 -0.312 0.000 1.150 344 V N -0.734 119.068 119.914 -0.186 0.000 2.872 344 V HA 0.148 4.289 4.120 0.034 0.000 0.307 344 V C 0.181 176.286 176.094 0.019 0.000 1.072 344 V CA 0.388 62.693 62.300 0.008 0.000 1.148 344 V CB -1.021 30.775 31.823 -0.045 0.000 0.954 344 V HN 0.308 nan 8.190 nan 0.000 0.490 345 F N 2.245 122.326 119.950 0.218 0.000 2.613 345 F HA 0.835 5.383 4.527 0.034 0.000 0.342 345 F C 0.396 176.385 175.800 0.316 0.000 1.066 345 F CA -0.973 57.216 58.000 0.316 0.000 1.002 345 F CB 1.865 41.095 39.000 0.384 0.000 1.319 345 F HN 0.376 nan 8.300 nan 0.000 0.495 346 M N 2.061 122.010 119.600 0.582 0.000 2.786 346 M HA 0.028 4.528 4.480 0.034 0.000 0.126 346 M C -1.750 174.688 176.300 0.230 0.000 0.924 346 M CA 0.018 55.450 55.300 0.219 0.000 0.660 346 M CB 0.170 32.655 32.600 -0.191 0.000 3.163 346 M HN 0.662 nan 8.290 nan 0.000 0.302 347 H N 3.368 122.521 119.070 0.139 0.000 2.969 347 H HA 0.391 4.968 4.556 0.035 0.000 0.269 347 H C 0.255 175.567 175.328 -0.025 0.000 1.223 347 H CA -0.281 55.832 56.048 0.108 0.000 1.400 347 H CB 1.286 31.151 29.762 0.171 0.000 1.500 347 H HN 0.518 nan 8.280 nan 0.000 0.486 348 I N 5.161 125.703 120.570 -0.046 0.000 2.779 348 I HA 0.029 4.220 4.170 0.034 0.000 0.285 348 I C -1.879 174.184 176.117 -0.091 0.000 1.134 348 I CA -1.768 59.414 61.300 -0.196 0.000 1.398 348 I CB 1.045 38.832 38.000 -0.355 0.000 1.404 348 I HN 0.308 nan 8.210 nan 0.000 0.587 349 P HA 0.209 nan 4.420 nan 0.000 0.274 349 P C -0.905 176.369 177.300 -0.043 0.000 1.246 349 P CA -0.324 62.739 63.100 -0.063 0.000 0.795 349 P CB 0.507 32.157 31.700 -0.082 0.000 1.006 350 L N 1.357 122.570 121.223 -0.017 0.000 2.421 350 L HA 0.450 4.811 4.340 0.034 0.000 0.263 350 L C 0.919 177.780 176.870 -0.015 0.000 1.122 350 L CA -0.880 53.954 54.840 -0.011 0.000 0.804 350 L CB 0.147 42.207 42.059 0.001 0.000 1.150 350 L HN 0.335 nan 8.230 nan 0.000 0.457 351 I N 0.401 120.953 120.570 -0.030 0.000 2.385 351 I HA 0.429 4.619 4.170 0.034 0.000 0.294 351 I C -0.576 175.528 176.117 -0.022 0.000 0.988 351 I CA -0.509 60.783 61.300 -0.013 0.000 1.265 351 I CB 1.190 39.183 38.000 -0.013 0.000 1.388 351 I HN 0.417 nan 8.210 nan 0.000 0.480 352 L N 5.144 126.381 121.223 0.024 0.000 2.397 352 L HA 0.681 5.042 4.340 0.034 0.000 0.266 352 L C 0.904 177.786 176.870 0.021 0.000 1.040 352 L CA -0.736 54.118 54.840 0.023 0.000 0.800 352 L CB 1.289 43.374 42.059 0.045 0.000 1.324 352 L HN 0.842 nan 8.230 nan 0.000 0.469 353 G N -0.915 107.888 108.800 0.006 0.000 2.535 353 G HA2 0.263 4.244 3.960 0.034 0.000 0.303 353 G HA3 0.263 4.244 3.960 0.034 0.000 0.303 353 G C 0.785 175.737 174.900 0.086 0.000 1.237 353 G CA 0.189 45.288 45.100 -0.002 0.000 0.986 353 G HN 0.701 nan 8.290 nan 0.000 0.494 354 S N -0.988 114.778 115.700 0.109 0.000 2.547 354 S HA -0.098 4.393 4.470 0.034 0.000 0.235 354 S C 0.862 175.517 174.600 0.093 0.000 0.980 354 S CA 1.338 59.598 58.200 0.101 0.000 0.941 354 S CB -0.080 63.181 63.200 0.102 0.000 0.763 354 S HN 0.630 nan 8.310 nan 0.000 0.532 355 D N 0.564 121.031 120.400 0.112 0.000 2.755 355 D HA 0.136 4.796 4.640 0.034 0.000 0.257 355 D C -0.261 176.092 176.300 0.088 0.000 1.291 355 D CA -0.666 53.394 54.000 0.100 0.000 0.836 355 D CB -0.400 40.470 40.800 0.117 0.000 1.059 355 D HN -0.060 nan 8.370 nan 0.000 0.486 356 R N 0.337 120.882 120.500 0.075 0.000 2.837 356 R HA -0.180 4.181 4.340 0.034 0.000 0.264 356 R C -0.566 175.776 176.300 0.070 0.000 0.906 356 R CA 1.266 57.402 56.100 0.062 0.000 0.711 356 R CB -2.343 27.986 30.300 0.047 0.000 1.701 356 R HN 0.657 nan 8.270 nan 0.000 0.514 357 T N 0.356 114.958 114.554 0.080 0.000 2.983 357 T HA 0.378 4.748 4.350 0.034 0.000 0.357 357 T C -3.111 171.650 174.700 0.102 0.000 1.830 357 T CA -1.092 61.064 62.100 0.094 0.000 1.080 357 T CB 1.758 70.699 68.868 0.122 0.000 1.675 357 T HN 0.031 nan 8.240 nan 0.000 0.497 358 P HA 0.419 nan 4.420 nan 0.000 0.275 358 P C 0.175 177.551 177.300 0.126 0.000 1.228 358 P CA -0.555 62.591 63.100 0.077 0.000 0.786 358 P CB 0.390 32.132 31.700 0.070 0.000 0.927 359 L N 1.223 122.466 121.223 0.033 0.000 2.456 359 L HA 0.377 4.737 4.340 0.034 0.000 0.246 359 L C 1.114 178.201 176.870 0.361 0.000 1.238 359 L CA 0.707 55.594 54.840 0.078 0.000 0.826 359 L CB -0.058 41.910 42.059 -0.150 0.000 1.150 359 L HN 0.663 nan 8.230 nan 0.000 0.514 360 S N -1.922 114.087 115.700 0.515 0.000 2.654 360 S HA 0.166 4.656 4.470 0.034 0.000 0.267 360 S C -0.000 174.648 174.600 0.080 0.000 1.151 360 S CA -0.855 57.507 58.200 0.270 0.000 0.873 360 S CB 0.992 64.311 63.200 0.199 0.000 1.181 360 S HN 0.511 nan 8.310 nan 0.000 0.489 361 K N 0.765 121.164 120.400 -0.002 0.000 2.057 361 K HA -0.013 4.328 4.320 0.034 0.000 0.206 361 K C 1.731 178.376 176.600 0.076 0.000 1.050 361 K CA 1.034 57.330 56.287 0.015 0.000 0.935 361 K CB -0.672 31.819 32.500 -0.014 0.000 0.715 361 K HN 0.449 nan 8.250 nan 0.000 0.439 362 R N 1.263 121.804 120.500 0.068 0.000 2.369 362 R HA -0.150 4.211 4.340 0.034 0.000 0.208 362 R C 2.246 178.593 176.300 0.078 0.000 1.030 362 R CA 1.965 58.090 56.100 0.042 0.000 0.812 362 R CB -1.610 28.685 30.300 -0.008 0.000 0.765 362 R HN 0.435 nan 8.270 nan 0.000 0.441 363 H N -1.411 117.699 119.070 0.067 0.000 2.203 363 H HA -0.280 4.297 4.556 0.034 0.000 0.252 363 H C 1.542 176.906 175.328 0.060 0.000 1.130 363 H CA 2.714 58.804 56.048 0.069 0.000 1.320 363 H CB -0.768 29.050 29.762 0.093 0.000 1.594 363 H HN 0.661 nan 8.280 nan 0.000 0.653 364 G N -1.393 107.539 108.800 0.220 0.000 2.189 364 G HA2 -0.294 3.687 3.960 0.034 0.000 0.267 364 G HA3 -0.294 3.687 3.960 0.034 0.000 0.267 364 G C 0.942 175.886 174.900 0.074 0.000 0.975 364 G CA 0.790 45.969 45.100 0.133 0.000 0.644 364 G HN 0.949 nan 8.290 nan 0.000 0.537 365 A N -0.477 122.388 122.820 0.074 0.000 2.470 365 A HA 0.630 4.971 4.320 0.034 0.000 0.251 365 A C 1.266 178.748 177.584 -0.170 0.000 1.245 365 A CA 1.518 53.528 52.037 -0.044 0.000 0.932 365 A CB 0.365 19.374 19.000 0.016 0.000 1.037 365 A HN 0.910 nan 8.150 nan 0.000 0.522 366 T N 0.640 115.171 114.554 -0.037 0.000 3.533 366 T HA 0.272 4.642 4.350 0.034 0.000 0.275 366 T C 0.018 174.815 174.700 0.163 0.000 1.000 366 T CA 0.149 62.281 62.100 0.054 0.000 1.015 366 T CB -0.331 68.523 68.868 -0.023 0.000 1.153 366 T HN 0.351 nan 8.240 nan 0.000 0.504 367 S N 0.392 116.131 115.700 0.065 0.000 2.457 367 S HA 0.456 4.946 4.470 0.034 0.000 0.289 367 S C 1.529 176.231 174.600 0.171 0.000 1.163 367 S CA -0.776 57.484 58.200 0.101 0.000 1.078 367 S CB 1.540 64.693 63.200 -0.078 0.000 0.987 367 S HN 0.038 nan 8.310 nan 0.000 0.482 368 V N 2.580 122.638 119.914 0.240 0.000 2.277 368 V HA -0.313 3.828 4.120 0.034 0.000 0.255 368 V C 2.813 178.962 176.094 0.092 0.000 1.074 368 V CA 2.542 64.999 62.300 0.262 0.000 1.058 368 V CB -1.178 30.785 31.823 0.234 0.000 0.656 368 V HN 1.102 nan 8.190 nan 0.000 0.449 369 E N 0.030 120.213 120.200 -0.028 0.000 2.068 369 E HA -0.388 3.982 4.350 0.034 0.000 0.207 369 E C 2.072 178.622 176.600 -0.085 0.000 1.032 369 E CA 2.447 58.783 56.400 -0.107 0.000 0.839 369 E CB -0.448 29.152 29.700 -0.166 0.000 0.758 369 E HN 0.813 nan 8.360 nan 0.000 0.457 370 H N -0.588 118.359 119.070 -0.204 0.000 2.306 370 H HA -0.239 4.338 4.556 0.035 0.000 0.289 370 H C 1.959 177.166 175.328 -0.202 0.000 1.081 370 H CA 3.066 58.950 56.048 -0.273 0.000 1.163 370 H CB -0.603 28.851 29.762 -0.514 0.000 1.357 370 H HN 0.249 nan 8.280 nan 0.000 0.524 371 F N 0.160 120.307 119.950 0.328 0.000 2.346 371 F HA -0.145 4.402 4.527 0.035 0.000 0.301 371 F C 2.833 178.710 175.800 0.129 0.000 1.070 371 F CA 1.379 59.559 58.000 0.300 0.000 1.407 371 F CB -0.429 38.753 39.000 0.304 0.000 1.072 371 F HN 0.201 nan 8.300 nan 0.000 0.543 372 R N 1.353 121.844 120.500 -0.015 0.000 2.055 372 R HA -0.105 4.255 4.340 0.034 0.000 0.228 372 R C 2.609 178.914 176.300 0.007 0.000 1.143 372 R CA 1.576 57.423 56.100 -0.421 0.000 0.945 372 R CB -0.204 29.326 30.300 -1.283 0.000 0.841 372 R HN 0.289 nan 8.270 nan 0.000 0.429 373 R N -0.182 120.358 120.500 0.065 0.000 2.200 373 R HA 0.026 4.386 4.340 0.034 0.000 0.208 373 R C 1.311 177.890 176.300 0.465 0.000 1.033 373 R CA 0.922 57.209 56.100 0.311 0.000 1.000 373 R CB -0.201 30.196 30.300 0.162 0.000 0.906 373 R HN 0.240 nan 8.270 nan 0.000 0.462 374 E N 0.516 120.841 120.200 0.209 0.000 2.478 374 E HA -0.055 4.316 4.350 0.034 0.000 0.198 374 E C 0.552 177.296 176.600 0.241 0.000 1.046 374 E CA 1.114 57.619 56.400 0.175 0.000 0.870 374 E CB 0.333 30.059 29.700 0.043 0.000 0.818 374 E HN 0.740 nan 8.360 nan 0.000 0.527 375 G N 0.322 109.263 108.800 0.235 0.000 2.480 375 G HA2 -0.166 3.815 3.960 0.034 0.000 0.193 375 G HA3 -0.166 3.815 3.960 0.034 0.000 0.193 375 G C 0.265 175.156 174.900 -0.014 0.000 1.004 375 G CA -0.238 44.814 45.100 -0.080 0.000 0.696 375 G HN 0.099 nan 8.290 nan 0.000 0.478 376 I N 2.347 123.024 120.570 0.177 0.000 2.683 376 I HA 0.240 4.431 4.170 0.034 0.000 0.286 376 I C 0.849 177.112 176.117 0.243 0.000 1.175 376 I CA -0.454 60.954 61.300 0.179 0.000 1.429 376 I CB 0.354 38.514 38.000 0.266 0.000 1.371 376 I HN 0.004 nan 8.210 nan 0.000 0.569 377 L N 5.388 126.651 121.223 0.066 0.000 2.380 377 L HA 0.084 4.445 4.340 0.034 0.000 0.273 377 L C 1.691 178.447 176.870 -0.190 0.000 1.138 377 L CA 0.751 55.582 54.840 -0.014 0.000 0.832 377 L CB 0.931 42.899 42.059 -0.152 0.000 1.124 377 L HN 0.784 nan 8.230 nan 0.000 0.454 378 S N 3.800 119.160 115.700 -0.568 0.000 2.404 378 S HA -0.259 4.232 4.470 0.034 0.000 0.230 378 S C 2.005 176.232 174.600 -0.622 0.000 1.046 378 S CA 2.026 59.555 58.200 -1.118 0.000 1.135 378 S CB -0.229 62.081 63.200 -1.483 0.000 1.056 378 S HN 0.775 nan 8.310 nan 0.000 0.426 379 R N 1.020 121.184 120.500 -0.560 0.000 2.316 379 R HA 0.000 4.361 4.340 0.034 0.000 0.232 379 R C 1.984 177.924 176.300 -0.600 0.000 1.137 379 R CA 1.390 57.179 56.100 -0.519 0.000 1.012 379 R CB -0.582 29.442 30.300 -0.459 0.000 0.859 379 R HN 0.447 nan 8.270 nan 0.000 0.474 380 A N 0.991 123.462 122.820 -0.582 0.000 2.044 380 A HA 0.081 4.421 4.320 0.034 0.000 0.213 380 A C 1.965 179.412 177.584 -0.228 0.000 1.169 380 A CA 0.067 51.818 52.037 -0.477 0.000 0.724 380 A CB -0.083 18.681 19.000 -0.393 0.000 0.840 380 A HN 0.273 nan 8.150 nan 0.000 0.463 381 L N -1.035 120.082 121.223 -0.177 0.000 2.027 381 L HA -0.078 4.283 4.340 0.034 0.000 0.206 381 L C 2.242 179.062 176.870 -0.084 0.000 1.074 381 L CA 1.949 56.760 54.840 -0.048 0.000 0.745 381 L CB -0.475 41.606 42.059 0.037 0.000 0.898 381 L HN 0.285 nan 8.230 nan 0.000 0.433 382 M N -0.431 119.047 119.600 -0.202 0.000 2.279 382 M HA -0.167 4.334 4.480 0.034 0.000 0.264 382 M C 1.990 178.126 176.300 -0.273 0.000 1.062 382 M CA 1.120 56.278 55.300 -0.237 0.000 1.099 382 M CB -1.269 31.145 32.600 -0.310 0.000 1.394 382 M HN 0.316 nan 8.290 nan 0.000 0.426 383 N N -0.492 118.014 118.700 -0.322 0.000 2.039 383 N HA -0.209 4.552 4.740 0.034 0.000 0.193 383 N C 1.765 177.105 175.510 -0.283 0.000 1.044 383 N CA 1.489 54.250 53.050 -0.481 0.000 0.847 383 N CB -0.459 37.792 38.487 -0.393 0.000 1.030 383 N HN 0.423 nan 8.380 nan 0.000 0.422 384 Y N 1.024 121.195 120.300 -0.215 0.000 2.200 384 Y HA 0.013 4.584 4.550 0.035 0.000 0.290 384 Y C 2.075 177.950 175.900 -0.043 0.000 1.137 384 Y CA 1.328 59.371 58.100 -0.094 0.000 1.163 384 Y CB -0.412 38.005 38.460 -0.071 0.000 0.988 384 Y HN 0.092 nan 8.280 nan 0.000 0.518 385 L N -0.153 121.015 121.223 -0.092 0.000 2.131 385 L HA -0.152 4.209 4.340 0.034 0.000 0.210 385 L C 2.087 178.828 176.870 -0.215 0.000 1.092 385 L CA 1.030 55.789 54.840 -0.135 0.000 0.759 385 L CB -0.723 41.309 42.059 -0.045 0.000 0.903 385 L HN 0.329 nan 8.230 nan 0.000 0.435 386 A N -1.251 121.376 122.820 -0.322 0.000 2.579 386 A HA 0.256 4.597 4.320 0.034 0.000 0.273 386 A C 1.182 178.505 177.584 -0.435 0.000 1.363 386 A CA 0.310 51.973 52.037 -0.623 0.000 0.953 386 A CB 0.021 18.792 19.000 -0.381 0.000 1.034 386 A HN 0.353 nan 8.150 nan 0.000 0.536 387 L N -2.443 118.699 121.223 -0.136 0.000 2.726 387 L HA 0.354 4.715 4.340 0.034 0.000 0.287 387 L C 0.032 176.964 176.870 0.103 0.000 1.047 387 L CA 0.242 55.145 54.840 0.106 0.000 1.304 387 L CB -0.038 42.088 42.059 0.112 0.000 2.440 387 L HN 0.245 nan 8.230 nan 0.000 0.569 388 L N 2.806 123.938 121.223 -0.153 0.000 2.698 388 L HA 0.282 4.642 4.340 0.034 0.000 0.272 388 L C 0.901 177.837 176.870 0.111 0.000 1.154 388 L CA 1.206 55.927 54.840 -0.198 0.000 0.964 388 L CB -0.585 41.190 42.059 -0.473 0.000 1.272 388 L HN 0.697 nan 8.230 nan 0.000 0.483 389 G N 3.477 112.341 108.800 0.106 0.000 2.246 389 G HA2 -0.274 3.707 3.960 0.034 0.000 0.273 389 G HA3 -0.274 3.707 3.960 0.034 0.000 0.273 389 G C -0.252 174.726 174.900 0.129 0.000 1.055 389 G CA -0.151 45.002 45.100 0.088 0.000 0.851 389 G HN 0.665 nan 8.290 nan 0.000 0.500 390 W N -0.514 120.802 121.300 0.027 0.000 2.706 390 W HA 0.606 5.287 4.660 0.036 0.000 0.346 390 W C 0.498 177.046 176.519 0.048 0.000 1.071 390 W CA -1.250 56.133 57.345 0.064 0.000 1.206 390 W CB 1.282 30.814 29.460 0.119 0.000 1.413 390 W HN -0.073 nan 8.180 nan 0.000 0.542 391 R N 2.370 123.007 120.500 0.228 0.000 2.473 391 R HA -0.029 4.332 4.340 0.034 0.000 0.315 391 R C 1.063 177.477 176.300 0.191 0.000 0.972 391 R CA 0.239 56.431 56.100 0.154 0.000 1.047 391 R CB 0.447 30.806 30.300 0.098 0.000 0.932 391 R HN 0.588 nan 8.270 nan 0.000 0.411 392 V N 4.512 124.507 119.914 0.135 0.000 2.220 392 V HA -0.246 3.895 4.120 0.034 0.000 0.250 392 V C 0.376 176.507 176.094 0.060 0.000 1.056 392 V CA 2.361 64.729 62.300 0.113 0.000 1.016 392 V CB -0.638 31.234 31.823 0.083 0.000 0.639 392 V HN 1.107 nan 8.190 nan 0.000 0.446 393 E N -0.046 120.178 120.200 0.040 0.000 2.912 393 E HA 0.006 4.377 4.350 0.034 0.000 0.194 393 E C 0.283 176.867 176.600 -0.025 0.000 1.990 393 E CA 0.422 56.827 56.400 0.008 0.000 0.758 393 E CB -1.907 27.798 29.700 0.009 0.000 1.013 393 E HN 1.981 nan 8.360 nan 0.000 0.334 394 G N 2.536 111.331 108.800 -0.008 0.000 2.508 394 G HA2 -0.255 3.726 3.960 0.034 0.000 0.220 394 G HA3 -0.255 3.726 3.960 0.034 0.000 0.220 394 G C -0.502 174.405 174.900 0.012 0.000 1.287 394 G CA -0.044 45.047 45.100 -0.014 0.000 0.916 394 G HN 0.850 nan 8.290 nan 0.000 0.574 395 D N 0.110 120.518 120.400 0.014 0.000 2.414 395 D HA 0.409 5.070 4.640 0.034 0.000 0.242 395 D C 1.357 177.764 176.300 0.180 0.000 1.129 395 D CA 0.379 54.430 54.000 0.084 0.000 0.885 395 D CB 1.125 41.972 40.800 0.079 0.000 1.198 395 D HN 0.504 nan 8.370 nan 0.000 0.437 396 E N 1.431 121.787 120.200 0.259 0.000 2.442 396 E HA 0.062 4.433 4.350 0.034 0.000 0.195 396 E C -0.122 176.761 176.600 0.472 0.000 1.030 396 E CA 0.139 56.764 56.400 0.377 0.000 0.869 396 E CB 0.310 30.201 29.700 0.318 0.000 0.857 396 E HN 0.320 nan 8.360 nan 0.000 0.505 397 I N 1.618 122.405 120.570 0.361 0.000 2.362 397 I HA 0.296 4.486 4.170 0.034 0.000 0.289 397 I C -0.680 175.558 176.117 0.202 0.000 0.994 397 I CA -0.726 60.632 61.300 0.096 0.000 1.158 397 I CB 0.510 38.434 38.000 -0.126 0.000 1.315 397 I HN -0.029 nan 8.210 nan 0.000 0.451 398 F N 2.050 121.994 119.950 -0.010 0.000 2.744 398 F HA 0.572 5.120 4.527 0.034 0.000 0.311 398 F C -0.168 175.672 175.800 0.067 0.000 1.144 398 F CA -1.111 56.890 58.000 0.001 0.000 0.938 398 F CB 0.472 39.466 39.000 -0.010 0.000 1.292 398 F HN 0.290 nan 8.300 nan 0.000 0.444 399 T N 1.573 116.238 114.554 0.184 0.000 2.813 399 T HA 0.266 4.637 4.350 0.034 0.000 0.297 399 T C 1.447 176.216 174.700 0.116 0.000 1.036 399 T CA -0.525 61.619 62.100 0.073 0.000 1.044 399 T CB 0.792 69.689 68.868 0.048 0.000 0.993 399 T HN 0.679 nan 8.240 nan 0.000 0.535 400 I N -0.858 119.700 120.570 -0.019 0.000 3.564 400 I HA 0.088 4.279 4.170 0.034 0.000 0.294 400 I C 1.764 177.900 176.117 0.030 0.000 1.289 400 I CA 0.681 61.974 61.300 -0.012 0.000 1.325 400 I CB -1.579 36.328 38.000 -0.155 0.000 1.039 400 I HN 0.866 nan 8.210 nan 0.000 0.474 401 E N 2.260 122.483 120.200 0.037 0.000 2.057 401 E HA -0.145 4.226 4.350 0.034 0.000 0.190 401 E C 1.794 178.421 176.600 0.045 0.000 0.969 401 E CA 0.607 57.034 56.400 0.047 0.000 0.812 401 E CB 0.056 29.774 29.700 0.031 0.000 0.777 401 E HN 0.489 nan 8.360 nan 0.000 0.455 402 E N 0.798 121.036 120.200 0.063 0.000 2.065 402 E HA -0.277 4.093 4.350 0.034 0.000 0.201 402 E C 2.091 178.704 176.600 0.022 0.000 1.016 402 E CA 1.658 58.090 56.400 0.052 0.000 0.818 402 E CB -0.111 29.642 29.700 0.089 0.000 0.749 402 E HN 0.015 nan 8.360 nan 0.000 0.453 403 K N 0.963 121.398 120.400 0.059 0.000 2.103 403 K HA -0.187 4.153 4.320 0.034 0.000 0.207 403 K C 1.856 178.450 176.600 -0.009 0.000 1.048 403 K CA 0.838 57.099 56.287 -0.045 0.000 0.930 403 K CB -0.456 32.096 32.500 0.087 0.000 0.716 403 K HN -0.007 nan 8.250 nan 0.000 0.444 404 L N 1.919 123.141 121.223 -0.002 0.000 1.951 404 L HA -0.277 4.084 4.340 0.034 0.000 0.222 404 L C 2.141 179.048 176.870 0.062 0.000 1.078 404 L CA 2.477 57.310 54.840 -0.011 0.000 0.778 404 L CB -1.378 40.666 42.059 -0.026 0.000 0.893 404 L HN 0.577 nan 8.230 nan 0.000 0.436 405 Q N -0.563 119.256 119.800 0.032 0.000 2.641 405 Q HA -0.115 4.246 4.340 0.034 0.000 0.220 405 Q C 0.260 176.287 176.000 0.045 0.000 0.977 405 Q CA 1.035 56.858 55.803 0.033 0.000 0.930 405 Q CB -0.819 27.925 28.738 0.010 0.000 0.976 405 Q HN 0.573 nan 8.270 nan 0.000 0.563 406 S N -0.581 115.163 115.700 0.073 0.000 2.407 406 S HA 0.441 4.931 4.470 0.034 0.000 0.166 406 S C -1.169 173.539 174.600 0.180 0.000 1.445 406 S CA -0.973 57.273 58.200 0.077 0.000 1.260 406 S CB 0.004 63.212 63.200 0.013 0.000 1.401 406 S HN 0.335 nan 8.310 nan 0.000 0.379 407 F N 2.402 122.368 119.950 0.027 0.000 2.507 407 F HA 0.699 5.248 4.527 0.036 0.000 0.328 407 F C -1.191 174.663 175.800 0.090 0.000 1.136 407 F CA -0.901 57.142 58.000 0.071 0.000 0.930 407 F CB 1.596 40.628 39.000 0.053 0.000 1.166 407 F HN 0.387 nan 8.300 nan 0.000 0.436 408 D N 7.565 127.638 120.400 -0.544 0.000 2.757 408 D HA 0.401 5.062 4.640 0.034 0.000 0.249 408 D C -2.501 173.373 176.300 -0.711 0.000 1.168 408 D CA -2.268 51.415 54.000 -0.528 0.000 0.870 408 D CB 3.198 43.881 40.800 -0.194 0.000 1.411 408 D HN 0.210 nan 8.370 nan 0.000 0.525 409 P HA 0.075 nan 4.420 nan 0.000 0.244 409 P C 0.544 177.785 177.300 -0.097 0.000 1.211 409 P CA 0.617 63.503 63.100 -0.357 0.000 0.760 409 P CB 0.281 31.748 31.700 -0.389 0.000 0.961 410 K N -1.008 119.289 120.400 -0.172 0.000 2.354 410 K HA 0.049 4.390 4.320 0.034 0.000 0.194 410 K C 0.849 177.364 176.600 -0.143 0.000 1.038 410 K CA 0.237 56.441 56.287 -0.138 0.000 1.052 410 K CB 0.106 32.539 32.500 -0.112 0.000 0.861 410 K HN 0.083 nan 8.250 nan 0.000 0.535 411 D N 1.569 121.896 120.400 -0.122 0.000 2.221 411 D HA -0.130 4.531 4.640 0.034 0.000 0.204 411 D C 0.815 176.917 176.300 -0.329 0.000 0.982 411 D CA 0.592 54.530 54.000 -0.103 0.000 0.857 411 D CB -0.201 40.672 40.800 0.123 0.000 0.934 411 D HN 0.128 nan 8.370 nan 0.000 0.475 412 I N 1.205 121.442 120.570 -0.556 0.000 2.710 412 I HA -0.079 4.112 4.170 0.034 0.000 0.286 412 I C 0.747 176.606 176.117 -0.430 0.000 1.181 412 I CA -0.293 60.519 61.300 -0.814 0.000 1.430 412 I CB 0.621 38.097 38.000 -0.874 0.000 1.367 412 I HN -0.127 nan 8.210 nan 0.000 0.577 413 S N 5.589 121.077 115.700 -0.353 0.000 2.655 413 S HA 0.353 4.844 4.470 0.034 0.000 0.265 413 S C 0.577 175.065 174.600 -0.187 0.000 1.240 413 S CA -0.424 57.656 58.200 -0.199 0.000 0.986 413 S CB 0.826 63.949 63.200 -0.128 0.000 0.985 413 S HN 0.745 nan 8.310 nan 0.000 0.562 414 N N 0.187 118.812 118.700 -0.124 0.000 2.325 414 N HA 0.032 4.793 4.740 0.034 0.000 0.182 414 N C 0.260 175.724 175.510 -0.076 0.000 1.088 414 N CA -0.043 52.946 53.050 -0.103 0.000 0.879 414 N CB 0.122 38.562 38.487 -0.078 0.000 0.983 414 N HN 0.700 nan 8.380 nan 0.000 0.471 415 K N 1.484 121.844 120.400 -0.066 0.000 2.118 415 K HA 0.247 4.588 4.320 0.034 0.000 0.264 415 K C 0.152 176.729 176.600 -0.039 0.000 1.000 415 K CA -0.372 55.891 56.287 -0.041 0.000 0.929 415 K CB 1.077 33.560 32.500 -0.028 0.000 1.021 415 K HN -0.165 nan 8.250 nan 0.000 0.463 416 G N 3.129 111.917 108.800 -0.020 0.000 2.428 416 G HA2 0.272 4.253 3.960 0.034 0.000 0.293 416 G HA3 0.272 4.253 3.960 0.034 0.000 0.293 416 G C 0.293 175.196 174.900 0.004 0.000 1.059 416 G CA -0.549 44.545 45.100 -0.009 0.000 1.194 416 G HN 0.565 nan 8.290 nan 0.000 0.435 417 V N 2.059 121.976 119.914 0.004 0.000 3.237 417 V HA 0.462 4.603 4.120 0.034 0.000 0.305 417 V C 0.633 176.757 176.094 0.049 0.000 1.096 417 V CA -0.741 61.572 62.300 0.023 0.000 1.130 417 V CB 0.707 32.542 31.823 0.020 0.000 1.048 417 V HN 0.488 nan 8.190 nan 0.000 0.484 418 I N 2.022 122.633 120.570 0.069 0.000 2.412 418 I HA 0.348 4.538 4.170 0.034 0.000 0.296 418 I C -0.157 176.065 176.117 0.176 0.000 0.987 418 I CA -0.444 60.921 61.300 0.108 0.000 1.180 418 I CB 1.578 39.630 38.000 0.087 0.000 1.340 418 I HN 0.697 nan 8.210 nan 0.000 0.455 419 F N 5.176 125.166 119.950 0.067 0.000 2.529 419 F HA 0.133 4.680 4.527 0.034 0.000 0.365 419 F C 0.067 175.965 175.800 0.163 0.000 1.102 419 F CA 0.029 58.114 58.000 0.141 0.000 1.271 419 F CB 0.364 39.413 39.000 0.082 0.000 1.120 419 F HN 0.383 nan 8.300 nan 0.000 0.579 420 D N 5.256 125.314 120.400 -0.570 0.000 2.378 420 D HA 0.063 4.723 4.640 0.034 0.000 0.265 420 D C 0.456 176.299 176.300 -0.762 0.000 1.229 420 D CA -0.328 53.411 54.000 -0.436 0.000 0.914 420 D CB -0.049 40.676 40.800 -0.124 0.000 1.140 420 D HN 0.567 nan 8.370 nan 0.000 0.516 421 Y N 2.589 122.430 120.300 -0.765 0.000 2.151 421 Y HA -0.328 4.243 4.550 0.034 0.000 0.284 421 Y C 1.822 177.528 175.900 -0.324 0.000 1.166 421 Y CA 1.899 59.687 58.100 -0.521 0.000 1.163 421 Y CB 0.273 38.698 38.460 -0.059 0.000 0.974 421 Y HN 0.352 nan 8.280 nan 0.000 0.511 422 Q N 0.577 120.390 119.800 0.021 0.000 2.029 422 Q HA -0.285 4.076 4.340 0.034 0.000 0.209 422 Q C 2.260 178.185 176.000 -0.124 0.000 0.999 422 Q CA 2.480 58.298 55.803 0.025 0.000 0.857 422 Q CB -0.392 28.354 28.738 0.013 0.000 0.926 422 Q HN 0.351 nan 8.270 nan 0.000 0.415 423 K N -0.193 120.057 120.400 -0.250 0.000 2.063 423 K HA -0.157 4.184 4.320 0.034 0.000 0.208 423 K C 1.765 178.149 176.600 -0.359 0.000 1.048 423 K CA 0.952 57.094 56.287 -0.241 0.000 0.928 423 K CB -0.499 31.893 32.500 -0.179 0.000 0.713 423 K HN 0.187 nan 8.250 nan 0.000 0.442 424 L N 1.595 122.296 121.223 -0.870 0.000 1.971 424 L HA -0.205 4.156 4.340 0.034 0.000 0.215 424 L C 2.109 178.685 176.870 -0.490 0.000 1.072 424 L CA 2.158 56.465 54.840 -0.889 0.000 0.758 424 L CB -0.836 40.552 42.059 -1.119 0.000 0.889 424 L HN 0.401 nan 8.230 nan 0.000 0.433 425 E N -1.704 118.162 120.200 -0.557 0.000 2.153 425 E HA -0.298 4.072 4.350 0.034 0.000 0.194 425 E C 2.008 178.556 176.600 -0.086 0.000 0.988 425 E CA 1.377 57.604 56.400 -0.289 0.000 0.811 425 E CB -0.442 29.208 29.700 -0.083 0.000 0.746 425 E HN 0.679 nan 8.360 nan 0.000 0.466 426 W N 0.747 121.930 121.300 -0.196 0.000 2.354 426 W HA -0.230 4.450 4.660 0.034 0.000 0.315 426 W C 2.178 178.636 176.519 -0.102 0.000 1.206 426 W CA 2.144 59.418 57.345 -0.119 0.000 1.290 426 W CB -0.511 28.887 29.460 -0.103 0.000 1.152 426 W HN 0.039 nan 8.180 nan 0.000 0.489 427 V N 1.220 121.187 119.914 0.088 0.000 2.667 427 V HA -0.205 3.935 4.120 0.034 0.000 0.252 427 V C 1.969 177.970 176.094 -0.155 0.000 1.065 427 V CA 2.699 64.920 62.300 -0.132 0.000 1.083 427 V CB -1.068 30.860 31.823 0.175 0.000 0.692 427 V HN 0.396 nan 8.190 nan 0.000 0.468 428 N N 1.474 120.085 118.700 -0.149 0.000 2.058 428 N HA -0.030 4.731 4.740 0.034 0.000 0.191 428 N C 1.917 177.341 175.510 -0.144 0.000 1.037 428 N CA 2.362 55.331 53.050 -0.135 0.000 0.848 428 N CB -0.958 37.446 38.487 -0.138 0.000 1.021 428 N HN 0.533 nan 8.380 nan 0.000 0.422 429 G N 0.919 109.595 108.800 -0.207 0.000 2.480 429 G HA2 -0.255 3.725 3.960 0.034 0.000 0.216 429 G HA3 -0.255 3.725 3.960 0.034 0.000 0.216 429 G C 1.453 176.183 174.900 -0.283 0.000 1.200 429 G CA 0.692 45.657 45.100 -0.224 0.000 0.782 429 G HN 0.239 nan 8.290 nan 0.000 0.554 430 K N 0.014 120.130 120.400 -0.474 0.000 2.293 430 K HA -0.160 4.180 4.320 0.034 0.000 0.204 430 K C 1.974 178.367 176.600 -0.346 0.000 1.045 430 K CA 1.396 57.382 56.287 -0.502 0.000 0.933 430 K CB -0.370 31.630 32.500 -0.832 0.000 0.736 430 K HN 0.566 nan 8.250 nan 0.000 0.463 431 H N 0.675 119.567 119.070 -0.296 0.000 2.294 431 H HA 0.032 4.609 4.556 0.034 0.000 0.306 431 H C 2.304 177.526 175.328 -0.177 0.000 1.065 431 H CA 1.940 57.856 56.048 -0.220 0.000 1.343 431 H CB 0.028 29.664 29.762 -0.210 0.000 1.396 431 H HN 0.139 nan 8.280 nan 0.000 0.506 432 M N -0.225 119.362 119.600 -0.023 0.000 2.108 432 M HA -0.152 4.349 4.480 0.034 0.000 0.261 432 M C 1.848 178.088 176.300 -0.100 0.000 1.066 432 M CA 1.784 57.044 55.300 -0.067 0.000 1.107 432 M CB -0.490 32.052 32.600 -0.097 0.000 1.356 432 M HN 0.071 nan 8.290 nan 0.000 0.406 433 R N 0.407 120.828 120.500 -0.131 0.000 2.293 433 R HA -0.031 4.330 4.340 0.034 0.000 0.219 433 R C 2.353 178.576 176.300 -0.128 0.000 1.091 433 R CA 1.076 57.093 56.100 -0.138 0.000 1.004 433 R CB -0.312 29.894 30.300 -0.157 0.000 0.865 433 R HN 0.534 nan 8.270 nan 0.000 0.469 434 R N 0.887 121.309 120.500 -0.130 0.000 2.335 434 R HA 0.124 4.485 4.340 0.034 0.000 0.210 434 R C 0.488 176.733 176.300 -0.092 0.000 0.892 434 R CA 0.045 56.068 56.100 -0.129 0.000 1.048 434 R CB 0.413 30.598 30.300 -0.191 0.000 1.067 434 R HN 0.077 nan 8.270 nan 0.000 0.524 435 I N -1.263 119.265 120.570 -0.070 0.000 3.210 435 I HA 0.375 4.566 4.170 0.034 0.000 0.316 435 I C -0.111 175.977 176.117 -0.049 0.000 1.067 435 I CA -1.160 60.112 61.300 -0.046 0.000 1.047 435 I CB 0.425 38.410 38.000 -0.024 0.000 1.352 435 I HN -0.190 nan 8.210 nan 0.000 0.565 436 D N 0.534 120.911 120.400 -0.037 0.000 2.382 436 D HA 0.115 4.776 4.640 0.034 0.000 0.240 436 D C 0.677 176.954 176.300 -0.039 0.000 1.146 436 D CA -0.204 53.775 54.000 -0.035 0.000 0.897 436 D CB 0.989 41.774 40.800 -0.024 0.000 1.197 436 D HN 0.404 nan 8.370 nan 0.000 0.432 437 L N 2.455 123.652 121.223 -0.044 0.000 2.044 437 L HA -0.032 4.328 4.340 0.034 0.000 0.205 437 L C 2.234 179.085 176.870 -0.032 0.000 1.075 437 L CA 1.283 56.090 54.840 -0.056 0.000 0.747 437 L CB -1.309 40.710 42.059 -0.067 0.000 0.903 437 L HN 0.513 nan 8.230 nan 0.000 0.435 438 E N 0.249 120.443 120.200 -0.011 0.000 2.065 438 E HA -0.282 4.088 4.350 0.034 0.000 0.201 438 E C 1.850 178.465 176.600 0.025 0.000 1.016 438 E CA 1.562 57.972 56.400 0.017 0.000 0.818 438 E CB -0.399 29.312 29.700 0.018 0.000 0.749 438 E HN 0.467 nan 8.360 nan 0.000 0.453 439 D N 0.643 121.048 120.400 0.009 0.000 2.242 439 D HA -0.207 4.453 4.640 0.034 0.000 0.193 439 D C 2.181 178.497 176.300 0.027 0.000 1.005 439 D CA 1.324 55.330 54.000 0.010 0.000 0.856 439 D CB -0.519 40.275 40.800 -0.009 0.000 1.001 439 D HN 0.121 nan 8.370 nan 0.000 0.452 440 L N 0.985 122.212 121.223 0.005 0.000 2.089 440 L HA -0.219 4.141 4.340 0.034 0.000 0.213 440 L C 2.259 179.184 176.870 0.091 0.000 1.079 440 L CA 2.170 57.019 54.840 0.015 0.000 0.758 440 L CB -0.543 41.485 42.059 -0.051 0.000 0.891 440 L HN 0.054 nan 8.230 nan 0.000 0.433 441 K N -0.452 119.998 120.400 0.084 0.000 1.965 441 K HA -0.280 4.061 4.320 0.034 0.000 0.218 441 K C 2.388 179.143 176.600 0.259 0.000 1.048 441 K CA 1.940 58.338 56.287 0.184 0.000 0.960 441 K CB -0.412 32.173 32.500 0.142 0.000 0.732 441 K HN 0.343 nan 8.250 nan 0.000 0.444 442 R N 0.768 121.370 120.500 0.170 0.000 2.136 442 R HA -0.230 4.131 4.340 0.034 0.000 0.242 442 R C 2.051 178.449 176.300 0.164 0.000 1.131 442 R CA 2.236 58.422 56.100 0.144 0.000 0.937 442 R CB -0.345 30.008 30.300 0.088 0.000 0.863 442 R HN 0.348 nan 8.270 nan 0.000 0.435 443 E N -0.450 119.840 120.200 0.149 0.000 2.171 443 E HA -0.220 4.151 4.350 0.034 0.000 0.197 443 E C 1.724 178.486 176.600 0.269 0.000 0.997 443 E CA 1.301 57.799 56.400 0.163 0.000 0.810 443 E CB -0.270 29.486 29.700 0.093 0.000 0.738 443 E HN 0.362 nan 8.360 nan 0.000 0.467 444 F N 1.014 121.050 119.950 0.142 0.000 2.128 444 F HA -0.108 4.439 4.527 0.034 0.000 0.295 444 F C 2.125 178.136 175.800 0.352 0.000 1.100 444 F CA 1.011 59.139 58.000 0.212 0.000 1.260 444 F CB -0.328 38.766 39.000 0.156 0.000 1.009 444 F HN -0.119 nan 8.300 nan 0.000 0.476 445 I N 0.538 121.201 120.570 0.156 0.000 2.202 445 I HA -0.257 3.934 4.170 0.034 0.000 0.242 445 I C 2.227 178.335 176.117 -0.015 0.000 1.091 445 I CA 1.649 62.949 61.300 -0.001 0.000 1.368 445 I CB -0.561 37.507 38.000 0.113 0.000 1.058 445 I HN 0.157 nan 8.210 nan 0.000 0.410 446 E N -0.340 119.904 120.200 0.075 0.000 2.204 446 E HA -0.266 4.105 4.350 0.034 0.000 0.194 446 E C 1.841 178.489 176.600 0.079 0.000 0.989 446 E CA 1.182 57.623 56.400 0.067 0.000 0.824 446 E CB -0.228 29.531 29.700 0.099 0.000 0.756 446 E HN 0.613 nan 8.360 nan 0.000 0.477 447 W N 1.997 123.266 121.300 -0.051 0.000 2.381 447 W HA -0.131 4.550 4.660 0.034 0.000 0.301 447 W C 2.363 178.798 176.519 -0.141 0.000 1.205 447 W CA 1.786 59.096 57.345 -0.059 0.000 1.285 447 W CB -0.272 29.167 29.460 -0.035 0.000 1.133 447 W HN 0.009 nan 8.180 nan 0.000 0.521 448 A N 1.059 123.679 122.820 -0.334 0.000 1.873 448 A HA -0.283 4.058 4.320 0.034 0.000 0.218 448 A C 1.858 179.105 177.584 -0.561 0.000 1.193 448 A CA 2.609 54.270 52.037 -0.627 0.000 0.629 448 A CB -0.904 17.845 19.000 -0.418 0.000 0.826 448 A HN 0.316 nan 8.150 nan 0.000 0.447 449 K N -1.351 118.857 120.400 -0.320 0.000 1.969 449 K HA -0.174 4.167 4.320 0.034 0.000 0.216 449 K C 1.900 178.338 176.600 -0.271 0.000 1.048 449 K CA 1.881 58.024 56.287 -0.240 0.000 0.948 449 K CB -0.893 31.533 32.500 -0.124 0.000 0.726 449 K HN 0.546 nan 8.250 nan 0.000 0.442 450 Y N 0.988 121.083 120.300 -0.341 0.000 2.139 450 Y HA -0.368 4.203 4.550 0.035 0.000 0.282 450 Y C 2.072 177.711 175.900 -0.436 0.000 1.179 450 Y CA 1.926 59.829 58.100 -0.328 0.000 1.161 450 Y CB -0.387 37.911 38.460 -0.271 0.000 0.970 450 Y HN 0.160 nan 8.280 nan 0.000 0.511 451 A N -0.342 122.168 122.820 -0.517 0.000 1.841 451 A HA 0.171 4.512 4.320 0.034 0.000 0.214 451 A C 1.820 179.099 177.584 -0.509 0.000 1.195 451 A CA 1.632 53.288 52.037 -0.636 0.000 0.611 451 A CB -1.361 16.903 19.000 -1.228 0.000 0.835 451 A HN 1.105 nan 8.150 nan 0.000 0.443 452 G N -1.502 106.980 108.800 -0.531 0.000 2.427 452 G HA2 -0.110 3.871 3.960 0.034 0.000 0.193 452 G HA3 -0.110 3.871 3.960 0.034 0.000 0.193 452 G C 0.402 175.108 174.900 -0.323 0.000 1.086 452 G CA 0.403 45.286 45.100 -0.362 0.000 0.818 452 G HN 0.277 nan 8.290 nan 0.000 0.490 453 K N 0.438 120.582 120.400 -0.427 0.000 2.211 453 K HA 0.114 4.454 4.320 0.034 0.000 0.201 453 K C 0.912 177.442 176.600 -0.117 0.000 1.052 453 K CA 1.084 57.160 56.287 -0.352 0.000 0.973 453 K CB -0.039 31.957 32.500 -0.841 0.000 0.766 453 K HN 0.742 nan 8.250 nan 0.000 0.466 454 E N 0.827 120.944 120.200 -0.139 0.000 4.220 454 E HA -0.199 4.172 4.350 0.034 0.000 0.160 454 E C -0.089 176.543 176.600 0.053 0.000 1.630 454 E CA 0.418 56.791 56.400 -0.044 0.000 0.960 454 E CB -2.465 27.221 29.700 -0.024 0.000 1.061 454 E HN 0.524 nan 8.360 nan 0.000 0.360 455 I N 0.272 120.864 120.570 0.038 0.000 2.359 455 I HA 0.510 4.700 4.170 0.034 0.000 0.294 455 I C -1.644 174.479 176.117 0.010 0.000 0.987 455 I CA -2.165 59.196 61.300 0.100 0.000 1.225 455 I CB 1.585 39.670 38.000 0.141 0.000 1.366 455 I HN -0.011 nan 8.210 nan 0.000 0.466 456 P HA 0.271 nan 4.420 nan 0.000 0.225 456 P C 0.019 177.285 177.300 -0.056 0.000 1.830 456 P CA -0.153 62.932 63.100 -0.025 0.000 1.051 456 P CB 0.436 32.128 31.700 -0.014 0.000 1.929 457 S N 0.562 116.194 115.700 -0.112 0.000 2.555 457 S HA 0.174 4.664 4.470 0.034 0.000 0.264 457 S C 1.159 175.702 174.600 -0.095 0.000 1.378 457 S CA 0.408 58.495 58.200 -0.188 0.000 0.996 457 S CB 0.323 63.385 63.200 -0.231 0.000 0.869 457 S HN 0.416 nan 8.310 nan 0.000 0.546 458 V N -0.939 118.930 119.914 -0.074 0.000 6.461 458 V HA 0.514 4.655 4.120 0.034 0.000 0.306 458 V C -0.563 175.548 176.094 0.028 0.000 1.676 458 V CA -0.537 61.758 62.300 -0.008 0.000 0.678 458 V CB 0.143 31.990 31.823 0.040 0.000 1.523 458 V HN 0.609 nan 8.190 nan 0.000 0.390 459 D N 1.647 122.096 120.400 0.082 0.000 2.371 459 D HA 0.158 4.819 4.640 0.034 0.000 0.256 459 D C 1.232 177.646 176.300 0.190 0.000 1.193 459 D CA 0.273 54.341 54.000 0.113 0.000 0.881 459 D CB 1.008 41.873 40.800 0.107 0.000 1.143 459 D HN 0.682 nan 8.370 nan 0.000 0.473 460 E N 3.718 123.995 120.200 0.128 0.000 2.533 460 E HA -0.154 4.216 4.350 0.034 0.000 0.203 460 E C 0.387 177.086 176.600 0.166 0.000 1.101 460 E CA 0.293 56.776 56.400 0.137 0.000 0.894 460 E CB 0.141 29.892 29.700 0.084 0.000 0.843 460 E HN 0.260 nan 8.360 nan 0.000 0.552 461 R N -0.668 119.946 120.500 0.190 0.000 2.485 461 R HA 0.080 4.441 4.340 0.034 0.000 0.235 461 R C -1.038 175.390 176.300 0.214 0.000 1.306 461 R CA -0.084 56.114 56.100 0.163 0.000 1.397 461 R CB -0.143 30.221 30.300 0.106 0.000 1.416 461 R HN 0.305 nan 8.270 nan 0.000 0.781 462 Y N -1.149 119.227 120.300 0.127 0.000 3.012 462 Y HA 0.122 4.693 4.550 0.035 0.000 0.236 462 Y C 1.400 177.386 175.900 0.143 0.000 1.017 462 Y CA 0.131 58.302 58.100 0.119 0.000 1.364 462 Y CB -0.356 38.177 38.460 0.121 0.000 1.491 462 Y HN -0.033 nan 8.280 nan 0.000 0.435 463 F N 2.202 122.167 119.950 0.026 0.000 2.115 463 F HA -0.206 4.341 4.527 0.034 0.000 0.300 463 F C 1.740 177.467 175.800 -0.121 0.000 1.092 463 F CA 2.360 60.310 58.000 -0.082 0.000 1.245 463 F CB -0.567 38.518 39.000 0.141 0.000 0.995 463 F HN 0.095 nan 8.300 nan 0.000 0.481 464 S N 0.039 115.746 115.700 0.011 0.000 2.803 464 S HA -0.046 4.444 4.470 0.034 0.000 0.226 464 S C 1.375 175.879 174.600 -0.160 0.000 0.962 464 S CA 0.495 58.640 58.200 -0.092 0.000 0.968 464 S CB -0.290 62.948 63.200 0.064 0.000 0.786 464 S HN 0.494 nan 8.310 nan 0.000 0.527 465 E N 0.041 120.091 120.200 -0.249 0.000 2.583 465 E HA 0.014 4.385 4.350 0.034 0.000 0.204 465 E C 1.759 178.171 176.600 -0.313 0.000 0.860 465 E CA 0.927 57.195 56.400 -0.220 0.000 1.473 465 E CB -0.106 29.516 29.700 -0.130 0.000 1.469 465 E HN 0.558 nan 8.360 nan 0.000 0.788 466 T N -0.025 114.250 114.554 -0.464 0.000 3.085 466 T HA 0.049 4.420 4.350 0.034 0.000 0.263 466 T C 1.967 176.291 174.700 -0.627 0.000 1.127 466 T CA 0.429 62.211 62.100 -0.531 0.000 1.103 466 T CB 0.060 68.597 68.868 -0.552 0.000 0.921 466 T HN -0.011 nan 8.240 nan 0.000 0.510 467 L N 0.968 121.804 121.223 -0.646 0.000 1.993 467 L HA 0.194 4.555 4.340 0.034 0.000 0.206 467 L C 2.903 179.512 176.870 -0.436 0.000 1.074 467 L CA 1.150 55.607 54.840 -0.639 0.000 0.746 467 L CB -0.419 41.221 42.059 -0.699 0.000 0.896 467 L HN 0.043 nan 8.230 nan 0.000 0.435 468 R N -0.290 120.008 120.500 -0.336 0.000 2.196 468 R HA -0.265 4.095 4.340 0.034 0.000 0.259 468 R C 2.020 178.181 176.300 -0.231 0.000 1.154 468 R CA 2.439 58.398 56.100 -0.236 0.000 0.976 468 R CB -0.337 29.856 30.300 -0.178 0.000 0.888 468 R HN 0.435 nan 8.270 nan 0.000 0.453 469 I N -0.336 120.074 120.570 -0.267 0.000 2.260 469 I HA -0.207 3.984 4.170 0.034 0.000 0.237 469 I C 2.599 178.545 176.117 -0.286 0.000 1.075 469 I CA 0.684 61.840 61.300 -0.239 0.000 1.376 469 I CB -1.703 36.167 38.000 -0.217 0.000 1.107 469 I HN 0.259 nan 8.210 nan 0.000 0.420 470 C N 1.701 120.760 119.300 -0.402 0.000 2.396 470 C HA -0.234 4.246 4.460 0.034 0.000 0.277 470 C C 3.027 177.831 174.990 -0.310 0.000 1.231 470 C CA 1.661 60.439 59.018 -0.400 0.000 1.775 470 C CB -1.181 26.249 27.740 -0.518 0.000 2.036 470 C HN 0.558 nan 8.230 nan 0.000 0.484 471 R N 1.497 121.811 120.500 -0.309 0.000 2.083 471 R HA -0.099 4.261 4.340 0.034 0.000 0.237 471 R C 1.603 177.783 176.300 -0.199 0.000 1.137 471 R CA 1.745 57.690 56.100 -0.258 0.000 0.951 471 R CB -0.985 29.167 30.300 -0.247 0.000 0.851 471 R HN 0.318 nan 8.270 nan 0.000 0.434 472 E N 0.562 120.653 120.200 -0.181 0.000 2.501 472 E HA -0.108 4.263 4.350 0.034 0.000 0.203 472 E C 0.307 176.828 176.600 -0.133 0.000 1.072 472 E CA 0.760 57.072 56.400 -0.146 0.000 0.885 472 E CB 0.146 29.768 29.700 -0.130 0.000 0.813 472 E HN 0.365 nan 8.360 nan 0.000 0.556 473 K N -0.702 119.613 120.400 -0.142 0.000 2.483 473 K HA 0.162 4.502 4.320 0.034 0.000 0.206 473 K C 0.340 176.876 176.600 -0.107 0.000 1.086 473 K CA -0.069 56.147 56.287 -0.118 0.000 1.052 473 K CB 1.154 33.582 32.500 -0.120 0.000 0.904 473 K HN -0.029 nan 8.250 nan 0.000 0.557 474 V N -1.791 118.050 119.914 -0.121 0.000 2.971 474 V HA 0.511 4.652 4.120 0.034 0.000 0.309 474 V C 0.243 176.274 176.094 -0.106 0.000 1.130 474 V CA -0.944 61.294 62.300 -0.103 0.000 0.964 474 V CB 2.142 33.896 31.823 -0.115 0.000 1.029 474 V HN -0.217 nan 8.190 nan 0.000 0.427 475 N N 1.473 120.128 118.700 -0.074 0.000 2.240 475 N HA 0.000 4.761 4.740 0.034 0.000 0.187 475 N C 1.547 177.011 175.510 -0.077 0.000 1.042 475 N CA 1.739 54.744 53.050 -0.076 0.000 0.861 475 N CB -0.351 38.116 38.487 -0.033 0.000 1.026 475 N HN 1.021 nan 8.380 nan 0.000 0.441 476 T N -1.079 113.451 114.554 -0.041 0.000 5.471 476 T HA 0.227 4.597 4.350 0.034 0.000 0.311 476 T C 1.456 176.060 174.700 -0.161 0.000 0.900 476 T CA 0.467 62.532 62.100 -0.058 0.000 1.367 476 T CB -0.236 68.649 68.868 0.028 0.000 1.584 476 T HN 0.089 nan 8.240 nan 0.000 0.338 477 L N -1.659 119.404 121.223 -0.266 0.000 3.712 477 L HA 0.253 4.614 4.340 0.034 0.000 0.357 477 L C 2.424 178.969 176.870 -0.543 0.000 1.071 477 L CA 0.060 54.614 54.840 -0.477 0.000 1.346 477 L CB 0.029 41.548 42.059 -0.900 0.000 1.923 477 L HN 0.489 nan 8.230 nan 0.000 0.621 478 S N -0.026 115.475 115.700 -0.332 0.000 2.515 478 S HA -0.061 4.430 4.470 0.034 0.000 0.231 478 S C 1.598 176.286 174.600 0.147 0.000 0.987 478 S CA 1.097 59.349 58.200 0.086 0.000 0.936 478 S CB 0.102 63.430 63.200 0.213 0.000 0.766 478 S HN 0.386 nan 8.310 nan 0.000 0.528 479 Q N -0.304 119.511 119.800 0.025 0.000 2.324 479 Q HA 0.173 4.534 4.340 0.034 0.000 0.207 479 Q C 1.659 177.647 176.000 -0.019 0.000 0.928 479 Q CA 0.389 56.202 55.803 0.016 0.000 0.890 479 Q CB -0.205 28.524 28.738 -0.015 0.000 1.001 479 Q HN 0.355 nan 8.270 nan 0.000 0.517 480 L N 0.375 121.551 121.223 -0.079 0.000 2.622 480 L HA -0.079 4.281 4.340 0.034 0.000 0.233 480 L C 1.413 178.244 176.870 -0.065 0.000 1.156 480 L CA 1.264 55.992 54.840 -0.187 0.000 0.866 480 L CB -0.448 41.411 42.059 -0.334 0.000 0.980 480 L HN 0.160 nan 8.230 nan 0.000 0.448 481 Y N -0.848 119.503 120.300 0.086 0.000 2.382 481 Y HA 0.064 4.635 4.550 0.035 0.000 0.292 481 Y C 2.001 178.062 175.900 0.269 0.000 1.151 481 Y CA 1.033 59.344 58.100 0.352 0.000 1.198 481 Y CB -0.049 38.758 38.460 0.578 0.000 1.195 481 Y HN 0.199 nan 8.280 nan 0.000 0.530 482 D N 0.512 120.969 120.400 0.095 0.000 2.149 482 D HA -0.172 4.489 4.640 0.034 0.000 0.198 482 D C 2.117 178.398 176.300 -0.032 0.000 0.990 482 D CA 1.488 55.470 54.000 -0.031 0.000 0.839 482 D CB -0.064 40.748 40.800 0.019 0.000 0.948 482 D HN 0.300 nan 8.370 nan 0.000 0.460 483 I N 0.277 120.817 120.570 -0.051 0.000 2.406 483 I HA -0.053 4.137 4.170 0.034 0.000 0.249 483 I C 2.173 178.193 176.117 -0.163 0.000 1.122 483 I CA 0.647 61.888 61.300 -0.098 0.000 1.431 483 I CB -0.607 37.312 38.000 -0.135 0.000 1.087 483 I HN 0.096 nan 8.210 nan 0.000 0.424 484 M N -0.861 118.619 119.600 -0.200 0.000 2.446 484 M HA -0.248 4.252 4.480 0.034 0.000 0.263 484 M C 2.251 178.506 176.300 -0.074 0.000 1.066 484 M CA 1.305 56.446 55.300 -0.265 0.000 1.087 484 M CB -0.512 31.952 32.600 -0.227 0.000 1.406 484 M HN 0.180 nan 8.290 nan 0.000 0.459 485 Y N 2.449 122.657 120.300 -0.153 0.000 2.081 485 Y HA -0.173 4.398 4.550 0.034 0.000 0.280 485 Y C -0.720 175.182 175.900 0.003 0.000 1.163 485 Y CA 2.093 60.106 58.100 -0.145 0.000 1.135 485 Y CB -1.126 37.191 38.460 -0.239 0.000 0.970 485 Y HN 0.162 nan 8.280 nan 0.000 0.498 486 P HA -0.004 nan 4.420 nan 0.000 0.255 486 P C 0.406 177.699 177.300 -0.012 0.000 1.301 486 P CA 0.825 63.903 63.100 -0.036 0.000 0.817 486 P CB -0.390 31.042 31.700 -0.447 0.000 1.259 487 F N -0.806 119.073 119.950 -0.118 0.000 2.754 487 F HA 0.164 4.712 4.527 0.035 0.000 0.297 487 F C 2.102 177.958 175.800 0.093 0.000 1.122 487 F CA 0.758 58.756 58.000 -0.003 0.000 1.400 487 F CB -0.205 38.788 39.000 -0.012 0.000 1.117 487 F HN -0.159 nan 8.300 nan 0.000 0.587 488 M N -1.389 118.305 119.600 0.156 0.000 3.207 488 M HA 0.182 4.682 4.480 0.034 0.000 0.202 488 M C 0.220 176.507 176.300 -0.023 0.000 1.730 488 M CA 0.301 55.656 55.300 0.091 0.000 1.461 488 M CB -1.139 31.504 32.600 0.072 0.000 1.013 488 M HN -0.298 nan 8.290 nan 0.000 0.592 489 N N 2.993 121.589 118.700 -0.173 0.000 2.357 489 N HA -0.041 4.720 4.740 0.034 0.000 0.257 489 N C -0.507 175.014 175.510 0.019 0.000 1.250 489 N CA 0.576 53.536 53.050 -0.151 0.000 0.862 489 N CB 0.548 38.798 38.487 -0.396 0.000 1.066 489 N HN 0.266 nan 8.380 nan 0.000 0.468 490 D N -0.339 120.090 120.400 0.049 0.000 2.369 490 D HA -0.021 4.640 4.640 0.034 0.000 0.211 490 D C -0.157 176.118 176.300 -0.041 0.000 1.077 490 D CA 0.129 54.187 54.000 0.097 0.000 0.842 490 D CB 0.142 40.958 40.800 0.027 0.000 0.947 490 D HN 0.611 nan 8.370 nan 0.000 0.509 491 D N -0.136 120.247 120.400 -0.029 0.000 2.706 491 D HA 0.013 4.673 4.640 0.034 0.000 0.236 491 D C -0.299 175.920 176.300 -0.135 0.000 1.231 491 D CA -0.721 53.196 54.000 -0.139 0.000 0.828 491 D CB -0.875 39.894 40.800 -0.052 0.000 1.015 491 D HN 0.259 nan 8.370 nan 0.000 0.484 492 Y N -0.710 119.550 120.300 -0.066 0.000 2.425 492 Y HA 0.265 4.836 4.550 0.035 0.000 0.331 492 Y C 0.998 176.708 175.900 -0.317 0.000 1.157 492 Y CA -1.234 56.824 58.100 -0.071 0.000 1.372 492 Y CB 0.523 38.961 38.460 -0.037 0.000 1.253 492 Y HN -0.174 nan 8.280 nan 0.000 0.536 493 E N 1.837 121.960 120.200 -0.128 0.000 3.194 493 E HA -0.152 4.218 4.350 0.034 0.000 0.343 493 E C -0.486 175.954 176.600 -0.266 0.000 1.500 493 E CA 0.751 57.037 56.400 -0.191 0.000 1.748 493 E CB -0.056 29.596 29.700 -0.080 0.000 0.994 493 E HN 1.011 nan 8.360 nan 0.000 0.644 494 Y N -1.376 118.918 120.300 -0.010 0.000 2.926 494 Y HA 0.055 4.625 4.550 0.035 0.000 0.279 494 Y C -0.646 175.316 175.900 0.103 0.000 1.035 494 Y CA -0.327 57.789 58.100 0.027 0.000 1.268 494 Y CB 1.046 39.518 38.460 0.020 0.000 1.392 494 Y HN 0.364 nan 8.280 nan 0.000 0.585 495 E N 1.823 122.149 120.200 0.209 0.000 7.199 495 E HA -0.185 4.186 4.350 0.034 0.000 0.263 495 E C -0.179 176.559 176.600 0.230 0.000 1.009 495 E CA 0.303 56.814 56.400 0.186 0.000 1.473 495 E CB -0.087 29.722 29.700 0.182 0.000 0.927 495 E HN 0.553 nan 8.360 nan 0.000 0.276 496 K N 2.822 123.322 120.400 0.165 0.000 3.319 496 K HA -0.030 4.311 4.320 0.034 0.000 0.296 496 K C 0.624 177.309 176.600 0.141 0.000 0.916 496 K CA 0.973 57.352 56.287 0.154 0.000 1.103 496 K CB 0.302 32.869 32.500 0.111 0.000 1.142 496 K HN 0.516 nan 8.250 nan 0.000 0.416 497 D N -0.578 119.928 120.400 0.177 0.000 1.852 497 D HA -0.134 4.527 4.640 0.034 0.000 0.559 497 D C 1.075 177.490 176.300 0.192 0.000 0.873 497 D CA -0.229 53.863 54.000 0.154 0.000 1.045 497 D CB -0.367 40.509 40.800 0.127 0.000 1.579 497 D HN 0.234 nan 8.370 nan 0.000 0.509 498 Y N 2.677 123.041 120.300 0.107 0.000 2.145 498 Y HA -0.108 4.463 4.550 0.034 0.000 0.286 498 Y C 2.095 178.093 175.900 0.162 0.000 1.145 498 Y CA 2.187 60.340 58.100 0.089 0.000 1.148 498 Y CB -0.495 38.008 38.460 0.072 0.000 0.981 498 Y HN -0.141 nan 8.280 nan 0.000 0.507 499 V N 1.341 121.313 119.914 0.097 0.000 2.231 499 V HA -0.383 3.758 4.120 0.034 0.000 0.250 499 V C 2.429 178.505 176.094 -0.030 0.000 1.058 499 V CA 2.381 64.672 62.300 -0.016 0.000 1.022 499 V CB -0.857 31.037 31.823 0.120 0.000 0.640 499 V HN 0.440 nan 8.190 nan 0.000 0.445 500 E N 0.034 120.261 120.200 0.045 0.000 2.136 500 E HA -0.278 4.093 4.350 0.034 0.000 0.202 500 E C 1.983 178.597 176.600 0.024 0.000 1.019 500 E CA 1.734 58.157 56.400 0.039 0.000 0.819 500 E CB -0.232 29.508 29.700 0.066 0.000 0.739 500 E HN 0.585 nan 8.360 nan 0.000 0.458 501 K N -1.773 118.672 120.400 0.075 0.000 2.536 501 K HA 0.141 4.481 4.320 0.034 0.000 0.203 501 K C 0.149 176.677 176.600 -0.120 0.000 1.063 501 K CA -0.142 56.153 56.287 0.015 0.000 1.063 501 K CB 0.586 33.120 32.500 0.058 0.000 0.843 501 K HN -0.059 nan 8.250 nan 0.000 0.521 502 F N -1.281 118.518 119.950 -0.251 0.000 2.675 502 F HA 0.112 4.660 4.527 0.035 0.000 0.315 502 F C 1.150 176.762 175.800 -0.313 0.000 0.888 502 F CA -0.216 57.594 58.000 -0.318 0.000 1.100 502 F CB 0.457 39.145 39.000 -0.519 0.000 0.908 502 F HN -0.094 nan 8.300 nan 0.000 0.657 503 L N 0.074 121.185 121.223 -0.186 0.000 2.286 503 L HA 0.166 4.527 4.340 0.034 0.000 0.203 503 L C 1.904 178.707 176.870 -0.113 0.000 1.068 503 L CA 1.181 55.936 54.840 -0.141 0.000 0.811 503 L CB -0.460 41.512 42.059 -0.145 0.000 0.989 503 L HN -0.204 nan 8.230 nan 0.000 0.467 504 K N 0.469 120.807 120.400 -0.104 0.000 2.574 504 K HA -0.052 4.288 4.320 0.034 0.000 0.193 504 K C 0.718 177.265 176.600 -0.087 0.000 1.035 504 K CA 0.164 56.399 56.287 -0.087 0.000 0.982 504 K CB -0.297 32.164 32.500 -0.065 0.000 0.795 504 K HN 0.198 nan 8.250 nan 0.000 0.491 505 R N 1.266 121.702 120.500 -0.106 0.000 2.615 505 R HA -0.021 4.339 4.340 0.034 0.000 0.270 505 R C 1.423 177.669 176.300 -0.089 0.000 1.081 505 R CA -0.042 55.988 56.100 -0.117 0.000 1.154 505 R CB 0.658 30.854 30.300 -0.173 0.000 1.063 505 R HN -0.016 nan 8.270 nan 0.000 0.519 506 E N 2.056 122.207 120.200 -0.081 0.000 2.158 506 E HA -0.143 4.227 4.350 0.034 0.000 0.191 506 E C 0.331 176.898 176.600 -0.055 0.000 0.982 506 E CA 1.282 57.645 56.400 -0.062 0.000 0.823 506 E CB 0.359 30.026 29.700 -0.055 0.000 0.766 506 E HN 0.642 nan 8.360 nan 0.000 0.468 507 E N 0.115 120.278 120.200 -0.063 0.000 2.489 507 E HA 0.115 4.485 4.350 0.034 0.000 0.193 507 E C 1.616 178.193 176.600 -0.037 0.000 1.057 507 E CA 0.407 56.777 56.400 -0.050 0.000 0.866 507 E CB 0.225 29.890 29.700 -0.058 0.000 0.916 507 E HN 0.229 nan 8.360 nan 0.000 0.500 508 A N 2.009 124.804 122.820 -0.041 0.000 1.837 508 A HA -0.321 4.020 4.320 0.034 0.000 0.216 508 A C 2.177 179.763 177.584 0.004 0.000 1.210 508 A CA 1.795 53.822 52.037 -0.017 0.000 0.632 508 A CB -0.672 18.309 19.000 -0.032 0.000 0.843 508 A HN 0.313 nan 8.150 nan 0.000 0.448 509 E N -0.588 119.610 120.200 -0.004 0.000 2.147 509 E HA -0.315 4.056 4.350 0.034 0.000 0.199 509 E C 2.212 178.819 176.600 0.012 0.000 1.005 509 E CA 1.682 58.087 56.400 0.008 0.000 0.810 509 E CB -0.138 29.560 29.700 -0.003 0.000 0.736 509 E HN 0.493 nan 8.360 nan 0.000 0.460 510 R N -0.175 120.325 120.500 0.000 0.000 2.117 510 R HA -0.165 4.195 4.340 0.034 0.000 0.243 510 R C 2.135 178.438 176.300 0.005 0.000 1.143 510 R CA 1.813 57.912 56.100 -0.002 0.000 0.968 510 R CB -0.059 30.234 30.300 -0.012 0.000 0.863 510 R HN 0.104 nan 8.270 nan 0.000 0.444 511 V N -0.184 119.737 119.914 0.011 0.000 2.403 511 V HA -0.075 4.066 4.120 0.034 0.000 0.239 511 V C 2.196 178.316 176.094 0.043 0.000 1.041 511 V CA 1.142 63.452 62.300 0.017 0.000 1.051 511 V CB -0.474 31.359 31.823 0.017 0.000 0.704 511 V HN 0.262 nan 8.190 nan 0.000 0.472 512 L N 0.087 121.352 121.223 0.070 0.000 2.197 512 L HA -0.230 4.131 4.340 0.034 0.000 0.215 512 L C 2.728 179.653 176.870 0.091 0.000 1.095 512 L CA 1.473 56.375 54.840 0.103 0.000 0.764 512 L CB -0.337 41.791 42.059 0.115 0.000 0.897 512 L HN 0.425 nan 8.230 nan 0.000 0.436 513 E N -0.408 119.829 120.200 0.061 0.000 2.021 513 E HA -0.176 4.194 4.350 0.034 0.000 0.189 513 E C 2.081 178.708 176.600 0.044 0.000 0.980 513 E CA 0.665 57.096 56.400 0.053 0.000 0.803 513 E CB -0.001 29.720 29.700 0.035 0.000 0.766 513 E HN 0.306 nan 8.360 nan 0.000 0.449 514 E N 0.871 121.085 120.200 0.023 0.000 2.070 514 E HA -0.212 4.159 4.350 0.034 0.000 0.197 514 E C 1.919 178.521 176.600 0.003 0.000 1.004 514 E CA 1.097 57.500 56.400 0.004 0.000 0.805 514 E CB -0.287 29.402 29.700 -0.017 0.000 0.744 514 E HN 0.215 nan 8.360 nan 0.000 0.451 515 A N 1.648 124.476 122.820 0.013 0.000 1.870 515 A HA -0.337 4.004 4.320 0.034 0.000 0.219 515 A C 2.215 179.862 177.584 0.105 0.000 1.224 515 A CA 2.811 54.866 52.037 0.031 0.000 0.650 515 A CB -0.816 18.244 19.000 0.100 0.000 0.836 515 A HN 0.317 nan 8.150 nan 0.000 0.454 516 K N -0.384 120.103 120.400 0.146 0.000 2.059 516 K HA -0.261 4.079 4.320 0.034 0.000 0.212 516 K C 2.244 178.944 176.600 0.166 0.000 1.050 516 K CA 2.198 58.594 56.287 0.183 0.000 0.927 516 K CB -0.202 32.379 32.500 0.135 0.000 0.714 516 K HN 0.526 nan 8.250 nan 0.000 0.447 517 K N -0.139 120.321 120.400 0.099 0.000 2.031 517 K HA -0.067 4.274 4.320 0.034 0.000 0.205 517 K C 2.034 178.675 176.600 0.069 0.000 1.049 517 K CA 1.019 57.355 56.287 0.080 0.000 0.939 517 K CB -0.206 32.322 32.500 0.046 0.000 0.717 517 K HN 0.225 nan 8.250 nan 0.000 0.438 518 A N 0.582 123.404 122.820 0.004 0.000 1.997 518 A HA -0.185 4.156 4.320 0.034 0.000 0.221 518 A C 1.920 179.460 177.584 -0.075 0.000 1.172 518 A CA 1.487 53.471 52.037 -0.089 0.000 0.645 518 A CB -0.717 18.155 19.000 -0.214 0.000 0.813 518 A HN 0.433 nan 8.150 nan 0.000 0.454 519 F N -1.092 118.914 119.950 0.094 0.000 2.220 519 F HA 0.039 4.587 4.527 0.034 0.000 0.290 519 F C 2.260 178.163 175.800 0.172 0.000 1.080 519 F CA 1.011 59.104 58.000 0.156 0.000 1.318 519 F CB -0.011 39.112 39.000 0.204 0.000 1.063 519 F HN 0.086 nan 8.300 nan 0.000 0.498 520 K N 0.162 120.756 120.400 0.323 0.000 2.228 520 K HA -0.239 4.101 4.320 0.034 0.000 0.205 520 K C -0.151 176.548 176.600 0.164 0.000 1.045 520 K CA 1.473 57.881 56.287 0.202 0.000 0.931 520 K CB -0.198 32.383 32.500 0.136 0.000 0.727 520 K HN 0.023 nan 8.250 nan 0.000 0.458 521 D N 0.794 121.289 120.400 0.157 0.000 2.518 521 D HA 0.173 4.834 4.640 0.034 0.000 0.230 521 D C -1.550 174.840 176.300 0.151 0.000 1.138 521 D CA -0.058 54.013 54.000 0.119 0.000 0.964 521 D CB 0.280 41.124 40.800 0.073 0.000 1.011 521 D HN 0.024 nan 8.370 nan 0.000 0.517 522 L N 4.693 126.035 121.223 0.198 0.000 2.617 522 L HA 0.162 4.522 4.340 0.034 0.000 0.259 522 L C 0.913 177.916 176.870 0.222 0.000 0.995 522 L CA -0.465 54.518 54.840 0.239 0.000 0.899 522 L CB 1.171 43.476 42.059 0.409 0.000 1.181 522 L HN 0.287 nan 8.230 nan 0.000 0.437 523 N N 2.177 120.967 118.700 0.150 0.000 2.009 523 N HA -0.133 4.628 4.740 0.034 0.000 0.186 523 N C 0.359 175.967 175.510 0.163 0.000 1.105 523 N CA 0.308 53.434 53.050 0.126 0.000 0.907 523 N CB -0.450 38.087 38.487 0.084 0.000 1.046 523 N HN 0.452 nan 8.380 nan 0.000 0.433 524 S N 0.230 116.008 115.700 0.131 0.000 2.596 524 S HA -0.086 4.404 4.470 0.034 0.000 0.298 524 S C 0.334 175.060 174.600 0.209 0.000 1.255 524 S CA -0.357 57.928 58.200 0.141 0.000 1.083 524 S CB -0.187 63.062 63.200 0.083 0.000 0.837 524 S HN 0.566 nan 8.310 nan 0.000 0.499 525 W N 6.284 127.609 121.300 0.043 0.000 3.102 525 W HA 0.067 4.748 4.660 0.034 0.000 0.401 525 W C 0.485 177.028 176.519 0.041 0.000 1.070 525 W CA -0.602 56.772 57.345 0.049 0.000 1.921 525 W CB -0.301 29.176 29.460 0.030 0.000 1.118 525 W HN 0.828 nan 8.180 nan 0.000 0.647 526 N N 1.141 119.897 118.700 0.094 0.000 2.188 526 N HA -0.108 4.653 4.740 0.034 0.000 0.253 526 N C 0.863 176.320 175.510 -0.088 0.000 1.260 526 N CA 0.549 53.620 53.050 0.034 0.000 0.915 526 N CB -0.413 38.100 38.487 0.042 0.000 0.976 526 N HN 0.102 nan 8.380 nan 0.000 0.424 527 M N -1.055 118.509 119.600 -0.060 0.000 2.657 527 M HA 0.100 4.600 4.480 0.034 0.000 0.262 527 M C 1.946 178.167 176.300 -0.133 0.000 1.213 527 M CA 0.373 55.618 55.300 -0.092 0.000 1.182 527 M CB -0.151 32.424 32.600 -0.043 0.000 1.303 527 M HN 0.530 nan 8.290 nan 0.000 0.501 528 E N 1.463 121.605 120.200 -0.097 0.000 1.992 528 E HA -0.196 4.175 4.350 0.034 0.000 0.202 528 E C 0.944 177.468 176.600 -0.127 0.000 1.007 528 E CA 1.424 57.759 56.400 -0.109 0.000 0.857 528 E CB -0.129 29.533 29.700 -0.063 0.000 0.796 528 E HN 0.319 nan 8.360 nan 0.000 0.486 529 E N -0.142 120.010 120.200 -0.079 0.000 3.079 529 E HA -0.033 4.338 4.350 0.034 0.000 0.267 529 E C 0.778 177.332 176.600 -0.077 0.000 1.509 529 E CA -0.078 56.283 56.400 -0.065 0.000 1.630 529 E CB -0.511 29.177 29.700 -0.021 0.000 1.373 529 E HN 0.389 nan 8.360 nan 0.000 0.439 530 I N -0.899 119.589 120.570 -0.138 0.000 4.398 530 I HA -0.034 4.157 4.170 0.034 0.000 0.310 530 I C 1.931 177.966 176.117 -0.135 0.000 1.232 530 I CA 0.023 61.242 61.300 -0.134 0.000 1.312 530 I CB 0.286 38.127 38.000 -0.265 0.000 1.347 530 I HN 0.174 nan 8.210 nan 0.000 0.454 531 E N 1.289 121.265 120.200 -0.372 0.000 2.047 531 E HA -0.312 4.059 4.350 0.034 0.000 0.191 531 E C 1.966 178.401 176.600 -0.274 0.000 0.987 531 E CA 1.362 57.318 56.400 -0.740 0.000 0.799 531 E CB 0.160 29.182 29.700 -1.130 0.000 0.752 531 E HN 0.074 nan 8.360 nan 0.000 0.449 532 K N 0.417 120.699 120.400 -0.196 0.000 2.020 532 K HA -0.149 4.191 4.320 0.034 0.000 0.212 532 K C 2.016 178.565 176.600 -0.084 0.000 1.050 532 K CA 2.338 58.563 56.287 -0.104 0.000 0.929 532 K CB -0.931 31.517 32.500 -0.086 0.000 0.714 532 K HN 0.190 nan 8.250 nan 0.000 0.443 533 T N 0.953 115.447 114.554 -0.099 0.000 2.668 533 T HA -0.234 4.137 4.350 0.034 0.000 0.265 533 T C 1.594 176.161 174.700 -0.221 0.000 1.041 533 T CA 2.156 64.151 62.100 -0.174 0.000 1.160 533 T CB -0.336 68.384 68.868 -0.247 0.000 0.857 533 T HN 0.103 nan 8.240 nan 0.000 0.455 534 L N -0.677 120.475 121.223 -0.118 0.000 2.354 534 L HA 0.306 4.667 4.340 0.034 0.000 0.212 534 L C 1.788 178.603 176.870 -0.092 0.000 1.091 534 L CA 0.404 55.172 54.840 -0.120 0.000 0.828 534 L CB -0.273 41.844 42.059 0.098 0.000 0.973 534 L HN -0.120 nan 8.230 nan 0.000 0.461 535 R N 1.310 121.837 120.500 0.045 0.000 4.806 535 R HA -0.027 4.334 4.340 0.034 0.000 0.194 535 R C -0.147 176.144 176.300 -0.015 0.000 2.211 535 R CA 0.760 56.904 56.100 0.072 0.000 1.801 535 R CB -1.335 29.015 30.300 0.083 0.000 1.251 535 R HN 0.655 nan 8.270 nan 0.000 0.747 536 D N -4.348 116.006 120.400 -0.076 0.000 1.520 536 D HA -0.156 4.505 4.640 0.034 0.000 0.776 536 D C 1.000 177.235 176.300 -0.108 0.000 0.570 536 D CA -0.356 53.598 54.000 -0.076 0.000 1.290 536 D CB -1.001 39.762 40.800 -0.063 0.000 1.181 536 D HN 0.151 nan 8.370 nan 0.000 0.425 537 L N 1.474 122.605 121.223 -0.154 0.000 2.189 537 L HA -0.177 4.183 4.340 0.034 0.000 0.214 537 L C 2.110 178.882 176.870 -0.163 0.000 1.097 537 L CA 2.279 57.020 54.840 -0.165 0.000 0.764 537 L CB -0.284 41.645 42.059 -0.217 0.000 0.900 537 L HN 0.396 nan 8.230 nan 0.000 0.436 538 S N -1.524 114.056 115.700 -0.201 0.000 2.338 538 S HA -0.192 4.298 4.470 0.034 0.000 0.218 538 S C 1.815 176.362 174.600 -0.088 0.000 1.032 538 S CA 0.767 58.865 58.200 -0.170 0.000 0.999 538 S CB -0.576 62.509 63.200 -0.192 0.000 0.905 538 S HN 0.381 nan 8.310 nan 0.000 0.439 539 E N 2.043 122.203 120.200 -0.065 0.000 2.045 539 E HA -0.201 4.169 4.350 0.034 0.000 0.212 539 E C 0.950 177.526 176.600 -0.039 0.000 1.039 539 E CA 1.167 57.543 56.400 -0.039 0.000 0.860 539 E CB -0.613 29.069 29.700 -0.031 0.000 0.776 539 E HN 0.691 nan 8.360 nan 0.000 0.467 540 K N 1.068 121.441 120.400 -0.046 0.000 2.405 540 K HA -0.053 4.287 4.320 0.034 0.000 0.273 540 K C 0.194 176.767 176.600 -0.046 0.000 1.116 540 K CA 0.572 56.834 56.287 -0.043 0.000 1.155 540 K CB 0.021 32.492 32.500 -0.048 0.000 0.858 540 K HN 0.108 nan 8.250 nan 0.000 0.477 541 G N 5.747 114.525 108.800 -0.035 0.000 3.213 541 G HA2 0.117 4.098 3.960 0.034 0.000 0.263 541 G HA3 0.117 4.098 3.960 0.034 0.000 0.263 541 G C 0.859 175.737 174.900 -0.036 0.000 0.829 541 G CA -0.477 44.602 45.100 -0.034 0.000 1.983 541 G HN 0.709 nan 8.290 nan 0.000 0.616 542 L N -0.057 121.141 121.223 -0.043 0.000 2.056 542 L HA 0.232 4.593 4.340 0.034 0.000 0.207 542 L C 1.601 178.448 176.870 -0.039 0.000 1.078 542 L CA 1.360 56.176 54.840 -0.039 0.000 0.749 542 L CB -0.406 41.628 42.059 -0.042 0.000 0.901 542 L HN 0.516 nan 8.230 nan 0.000 0.433 543 A N -1.165 121.630 122.820 -0.042 0.000 2.506 543 A HA 0.510 4.851 4.320 0.034 0.000 0.305 543 A C -0.647 176.917 177.584 -0.033 0.000 1.166 543 A CA -0.147 51.865 52.037 -0.041 0.000 0.638 543 A CB 0.383 19.355 19.000 -0.046 0.000 1.336 543 A HN 0.038 nan 8.150 nan 0.000 0.493 544 S N 0.159 115.846 115.700 -0.022 0.000 2.576 544 S HA 0.270 4.760 4.470 0.034 0.000 0.276 544 S C 0.930 175.543 174.600 0.022 0.000 1.339 544 S CA 0.372 58.574 58.200 0.003 0.000 1.039 544 S CB 1.014 64.222 63.200 0.013 0.000 0.902 544 S HN 0.843 nan 8.310 nan 0.000 0.516 545 K N 1.195 121.620 120.400 0.042 0.000 2.097 545 K HA -0.287 4.054 4.320 0.034 0.000 0.214 545 K C 2.040 178.767 176.600 0.212 0.000 1.052 545 K CA 2.162 58.498 56.287 0.083 0.000 0.932 545 K CB -0.282 32.330 32.500 0.186 0.000 0.716 545 K HN 0.637 nan 8.250 nan 0.000 0.455 546 K N 0.307 120.836 120.400 0.215 0.000 1.970 546 K HA -0.153 4.188 4.320 0.034 0.000 0.225 546 K C 1.761 178.522 176.600 0.268 0.000 1.045 546 K CA 2.015 58.454 56.287 0.253 0.000 1.002 546 K CB -0.760 31.844 32.500 0.174 0.000 0.743 546 K HN 0.009 nan 8.250 nan 0.000 0.445 547 V N 0.501 120.516 119.914 0.168 0.000 2.418 547 V HA -0.305 3.836 4.120 0.034 0.000 0.258 547 V C 2.238 178.462 176.094 0.216 0.000 1.088 547 V CA 1.970 64.356 62.300 0.143 0.000 1.091 547 V CB -0.634 31.131 31.823 -0.098 0.000 0.669 547 V HN 0.254 nan 8.190 nan 0.000 0.461 548 V N -1.200 118.784 119.914 0.116 0.000 2.231 548 V HA -0.196 3.945 4.120 0.034 0.000 0.240 548 V C 2.054 178.225 176.094 0.129 0.000 1.039 548 V CA 2.161 64.491 62.300 0.051 0.000 0.998 548 V CB -0.854 30.897 31.823 -0.120 0.000 0.639 548 V HN 0.422 nan 8.190 nan 0.000 0.451 549 F N -0.043 119.983 119.950 0.126 0.000 2.214 549 F HA -0.275 4.273 4.527 0.035 0.000 0.302 549 F C 2.623 178.490 175.800 0.113 0.000 1.063 549 F CA 1.464 59.526 58.000 0.103 0.000 1.319 549 F CB -0.032 39.003 39.000 0.059 0.000 1.046 549 F HN 0.230 nan 8.300 nan 0.000 0.505 550 Q N -0.665 119.354 119.800 0.365 0.000 2.384 550 Q HA 0.108 4.468 4.340 0.034 0.000 0.207 550 Q C 2.189 178.334 176.000 0.242 0.000 0.904 550 Q CA 0.373 56.309 55.803 0.221 0.000 0.933 550 Q CB 0.233 29.062 28.738 0.151 0.000 1.077 550 Q HN 0.480 nan 8.270 nan 0.000 0.522 551 L N 0.048 121.499 121.223 0.380 0.000 2.102 551 L HA -0.102 4.259 4.340 0.034 0.000 0.202 551 L C 1.971 179.030 176.870 0.315 0.000 1.076 551 L CA 0.487 55.568 54.840 0.402 0.000 0.761 551 L CB -0.318 41.933 42.059 0.321 0.000 0.921 551 L HN 0.128 nan 8.230 nan 0.000 0.444 552 I N -0.032 120.694 120.570 0.259 0.000 2.087 552 I HA -0.379 3.811 4.170 0.034 0.000 0.240 552 I C 2.624 178.860 176.117 0.199 0.000 1.054 552 I CA 1.697 63.146 61.300 0.248 0.000 1.311 552 I CB -1.482 36.686 38.000 0.281 0.000 1.024 552 I HN 0.372 nan 8.210 nan 0.000 0.402 553 R N 0.964 121.563 120.500 0.165 0.000 2.096 553 R HA -0.151 4.210 4.340 0.034 0.000 0.229 553 R C 2.201 178.499 176.300 -0.004 0.000 1.134 553 R CA 2.008 58.148 56.100 0.066 0.000 0.917 553 R CB -0.865 29.454 30.300 0.031 0.000 0.832 553 R HN 0.454 nan 8.270 nan 0.000 0.430 554 G N -1.151 107.630 108.800 -0.033 0.000 2.740 554 G HA2 -0.044 3.936 3.960 0.034 0.000 0.208 554 G HA3 -0.044 3.936 3.960 0.034 0.000 0.208 554 G C 0.860 175.469 174.900 -0.486 0.000 1.148 554 G CA 0.660 45.505 45.100 -0.425 0.000 0.795 554 G HN 0.518 nan 8.290 nan 0.000 0.526 555 A N -0.357 122.487 122.820 0.040 0.000 2.070 555 A HA 0.330 4.671 4.320 0.034 0.000 0.202 555 A C 2.162 179.921 177.584 0.293 0.000 1.277 555 A CA 1.021 53.214 52.037 0.259 0.000 0.872 555 A CB 0.122 19.292 19.000 0.284 0.000 0.933 555 A HN 0.686 nan 8.150 nan 0.000 0.475 556 V N -2.042 117.949 119.914 0.128 0.000 3.608 556 V HA 0.098 4.239 4.120 0.034 0.000 0.269 556 V C 1.506 177.483 176.094 -0.197 0.000 1.245 556 V CA 1.954 64.279 62.300 0.041 0.000 1.138 556 V CB -0.630 31.199 31.823 0.010 0.000 0.841 556 V HN 0.614 nan 8.190 nan 0.000 0.451 557 T N -4.846 109.569 114.554 -0.232 0.000 3.057 557 T HA 0.493 4.863 4.350 0.034 0.000 0.254 557 T C 1.720 176.155 174.700 -0.443 0.000 0.965 557 T CA 1.234 63.068 62.100 -0.444 0.000 0.978 557 T CB 0.774 69.525 68.868 -0.195 0.000 1.169 557 T HN 1.454 nan 8.240 nan 0.000 0.489 558 G N 1.519 110.211 108.800 -0.181 0.000 2.232 558 G HA2 -0.165 3.816 3.960 0.034 0.000 0.226 558 G HA3 -0.165 3.816 3.960 0.034 0.000 0.226 558 G C -0.113 174.707 174.900 -0.134 0.000 0.996 558 G CA 0.059 45.128 45.100 -0.051 0.000 0.626 558 G HN 0.746 nan 8.290 nan 0.000 0.509 559 K N 0.152 120.455 120.400 -0.162 0.000 2.207 559 K HA 0.717 5.058 4.320 0.034 0.000 0.255 559 K C 1.403 177.928 176.600 -0.125 0.000 0.941 559 K CA -0.854 55.370 56.287 -0.106 0.000 0.825 559 K CB 1.929 34.385 32.500 -0.072 0.000 1.119 559 K HN 0.032 nan 8.250 nan 0.000 0.430 560 L N 1.320 122.502 121.223 -0.070 0.000 2.012 560 L HA -0.125 4.236 4.340 0.034 0.000 0.210 560 L C 0.980 177.809 176.870 -0.069 0.000 1.073 560 L CA 1.115 55.914 54.840 -0.068 0.000 0.748 560 L CB -0.295 41.745 42.059 -0.032 0.000 0.891 560 L HN 0.422 nan 8.230 nan 0.000 0.431 561 V N -2.202 117.682 119.914 -0.051 0.000 2.435 561 V HA 0.736 4.877 4.120 0.034 0.000 0.290 561 V C -0.184 175.875 176.094 -0.058 0.000 1.030 561 V CA -0.150 62.119 62.300 -0.052 0.000 0.881 561 V CB 1.220 33.019 31.823 -0.039 0.000 0.983 561 V HN 0.330 nan 8.190 nan 0.000 0.445 562 T N 2.421 116.936 114.554 -0.065 0.000 2.711 562 T HA 0.684 5.055 4.350 0.034 0.000 0.302 562 T C -3.041 171.612 174.700 -0.078 0.000 1.373 562 T CA -1.157 60.907 62.100 -0.060 0.000 1.000 562 T CB 1.357 70.211 68.868 -0.024 0.000 1.483 562 T HN 0.686 nan 8.240 nan 0.000 0.499 563 P HA 0.325 nan 4.420 nan 0.000 0.274 563 P C 0.576 177.821 177.300 -0.092 0.000 1.260 563 P CA -0.068 62.973 63.100 -0.098 0.000 0.793 563 P CB -0.387 31.244 31.700 -0.116 0.000 1.048 564 G N 0.520 109.254 108.800 -0.110 0.000 2.202 564 G HA2 -0.031 3.950 3.960 0.034 0.000 0.251 564 G HA3 -0.031 3.950 3.960 0.034 0.000 0.251 564 G C 0.923 175.716 174.900 -0.178 0.000 1.219 564 G CA -0.322 44.677 45.100 -0.168 0.000 0.943 564 G HN 0.491 nan 8.290 nan 0.000 0.465 565 L N 3.255 124.289 121.223 -0.315 0.000 2.263 565 L HA -0.059 4.302 4.340 0.034 0.000 0.216 565 L C 2.051 178.872 176.870 -0.080 0.000 1.111 565 L CA 1.450 56.155 54.840 -0.226 0.000 0.773 565 L CB -0.436 41.450 42.059 -0.288 0.000 0.906 565 L HN 0.580 nan 8.230 nan 0.000 0.439 566 F N -0.852 119.085 119.950 -0.022 0.000 2.710 566 F HA 0.027 4.574 4.527 0.035 0.000 0.298 566 F C 2.149 177.928 175.800 -0.035 0.000 1.137 566 F CA 0.451 58.434 58.000 -0.028 0.000 1.444 566 F CB -0.569 38.409 39.000 -0.036 0.000 1.111 566 F HN 0.209 nan 8.300 nan 0.000 0.580 567 E N -0.829 119.448 120.200 0.129 0.000 2.162 567 E HA -0.015 4.355 4.350 0.034 0.000 0.193 567 E C 2.120 178.785 176.600 0.108 0.000 0.953 567 E CA 1.074 57.526 56.400 0.086 0.000 0.849 567 E CB -0.552 29.171 29.700 0.039 0.000 0.810 567 E HN 0.069 nan 8.360 nan 0.000 0.470 568 T N 1.570 116.194 114.554 0.116 0.000 2.545 568 T HA -0.088 4.283 4.350 0.034 0.000 0.261 568 T C 0.998 175.738 174.700 0.067 0.000 1.097 568 T CA 0.870 63.073 62.100 0.172 0.000 1.189 568 T CB -0.412 68.545 68.868 0.149 0.000 0.863 568 T HN 0.037 nan 8.240 nan 0.000 0.405 569 I N 2.555 123.138 120.570 0.023 0.000 2.593 569 I HA 0.067 4.258 4.170 0.034 0.000 0.304 569 I C 1.001 177.074 176.117 -0.073 0.000 1.176 569 I CA 0.397 61.683 61.300 -0.023 0.000 1.533 569 I CB -0.284 37.652 38.000 -0.106 0.000 1.492 569 I HN 0.543 nan 8.210 nan 0.000 0.704 570 E N 3.615 123.882 120.200 0.113 0.000 1.374 570 E HA -0.087 4.283 4.350 0.034 0.000 0.215 570 E C 0.194 177.008 176.600 0.357 0.000 1.048 570 E CA -0.028 56.456 56.400 0.139 0.000 1.129 570 E CB -0.249 29.456 29.700 0.008 0.000 4.608 570 E HN 0.109 nan 8.360 nan 0.000 0.729 571 V N 1.808 121.877 119.914 0.258 0.000 2.982 571 V HA 0.520 4.661 4.120 0.034 0.000 0.368 571 V C 0.359 176.619 176.094 0.276 0.000 1.350 571 V CA -0.050 62.412 62.300 0.271 0.000 1.251 571 V CB 0.173 32.105 31.823 0.182 0.000 1.284 571 V HN 0.413 nan 8.190 nan 0.000 0.533 572 L N 0.770 122.121 121.223 0.212 0.000 2.577 572 L HA 0.677 5.037 4.340 0.034 0.000 0.225 572 L C 1.108 178.004 176.870 0.044 0.000 1.053 572 L CA 0.821 55.707 54.840 0.076 0.000 0.866 572 L CB 0.443 42.466 42.059 -0.060 0.000 1.132 572 L HN 0.531 nan 8.230 nan 0.000 0.486 573 G N 0.579 109.437 108.800 0.097 0.000 2.719 573 G HA2 -0.230 3.751 3.960 0.034 0.000 0.686 573 G HA3 -0.230 3.751 3.960 0.034 0.000 0.686 573 G C 0.140 174.459 174.900 -0.968 0.000 1.201 573 G CA 0.044 44.867 45.100 -0.461 0.000 0.768 573 G HN 0.087 nan 8.290 nan 0.000 0.629 574 K N 0.575 119.754 120.400 -2.034 0.000 2.103 574 K HA -0.189 4.152 4.320 0.034 0.000 0.207 574 K C 2.600 178.883 176.600 -0.528 0.000 1.048 574 K CA 2.237 57.668 56.287 -1.427 0.000 0.930 574 K CB -0.167 31.765 32.500 -0.946 0.000 0.716 574 K HN 0.704 nan 8.250 nan 0.000 0.444 575 E N 1.090 121.017 120.200 -0.454 0.000 2.037 575 E HA -0.297 4.074 4.350 0.034 0.000 0.214 575 E C 2.033 178.539 176.600 -0.157 0.000 1.041 575 E CA 1.589 57.843 56.400 -0.243 0.000 0.872 575 E CB -0.697 28.868 29.700 -0.225 0.000 0.785 575 E HN 0.388 nan 8.360 nan 0.000 0.476 576 R N 0.445 120.856 120.500 -0.148 0.000 2.066 576 R HA -0.073 4.288 4.340 0.034 0.000 0.232 576 R C 2.920 179.204 176.300 -0.027 0.000 1.131 576 R CA 1.949 58.007 56.100 -0.071 0.000 0.955 576 R CB -0.819 29.441 30.300 -0.068 0.000 0.851 576 R HN 0.573 nan 8.270 nan 0.000 0.432 577 T N 0.224 114.763 114.554 -0.025 0.000 2.720 577 T HA -0.132 4.239 4.350 0.034 0.000 0.268 577 T C 1.968 176.705 174.700 0.063 0.000 1.037 577 T CA 0.872 62.992 62.100 0.034 0.000 1.144 577 T CB -0.188 68.725 68.868 0.075 0.000 0.864 577 T HN -0.026 nan 8.240 nan 0.000 0.444 578 L N 0.793 122.038 121.223 0.038 0.000 1.994 578 L HA 0.057 4.417 4.340 0.034 0.000 0.208 578 L C 2.712 179.624 176.870 0.069 0.000 1.071 578 L CA 1.885 56.769 54.840 0.072 0.000 0.745 578 L CB -1.307 40.777 42.059 0.041 0.000 0.892 578 L HN 0.280 nan 8.230 nan 0.000 0.431 579 K N 0.087 120.509 120.400 0.037 0.000 1.980 579 K HA -0.200 4.141 4.320 0.034 0.000 0.223 579 K C 2.070 178.719 176.600 0.082 0.000 1.052 579 K CA 1.795 58.108 56.287 0.044 0.000 0.974 579 K CB -0.364 32.147 32.500 0.018 0.000 0.734 579 K HN 0.179 nan 8.250 nan 0.000 0.447 580 R N 0.102 120.664 120.500 0.103 0.000 2.139 580 R HA -0.150 4.210 4.340 0.034 0.000 0.243 580 R C 2.095 178.513 176.300 0.197 0.000 1.145 580 R CA 1.083 57.288 56.100 0.175 0.000 0.976 580 R CB -0.509 29.924 30.300 0.221 0.000 0.866 580 R HN 0.081 nan 8.270 nan 0.000 0.449 581 L N 1.194 122.516 121.223 0.164 0.000 2.083 581 L HA -0.165 4.196 4.340 0.034 0.000 0.209 581 L C 2.202 179.168 176.870 0.160 0.000 1.083 581 L CA 1.901 56.848 54.840 0.179 0.000 0.752 581 L CB -0.703 41.467 42.059 0.185 0.000 0.899 581 L HN 0.141 nan 8.230 nan 0.000 0.433 582 E N -0.170 120.110 120.200 0.133 0.000 2.021 582 E HA -0.147 4.224 4.350 0.034 0.000 0.189 582 E C 1.973 178.646 176.600 0.122 0.000 0.980 582 E CA 0.841 57.308 56.400 0.111 0.000 0.803 582 E CB -0.267 29.483 29.700 0.083 0.000 0.766 582 E HN 0.182 nan 8.360 nan 0.000 0.449 583 R N -0.068 120.505 120.500 0.122 0.000 2.845 583 R HA -0.014 4.347 4.340 0.034 0.000 0.220 583 R C 0.593 177.017 176.300 0.207 0.000 1.528 583 R CA 1.059 57.233 56.100 0.125 0.000 1.374 583 R CB -0.465 29.874 30.300 0.065 0.000 1.104 583 R HN 0.291 nan 8.270 nan 0.000 0.510 584 T N -2.929 111.756 114.554 0.219 0.000 3.051 584 T HA 0.118 4.488 4.350 0.034 0.000 0.254 584 T C 1.499 176.301 174.700 0.170 0.000 0.916 584 T CA -0.242 62.007 62.100 0.249 0.000 0.894 584 T CB 0.107 69.089 68.868 0.190 0.000 1.251 584 T HN 0.211 nan 8.240 nan 0.000 0.517 585 L N 1.163 122.465 121.223 0.133 0.000 2.261 585 L HA -0.010 4.351 4.340 0.034 0.000 0.216 585 L C 2.725 179.639 176.870 0.074 0.000 1.114 585 L CA 1.446 56.338 54.840 0.087 0.000 0.777 585 L CB -0.339 41.769 42.059 0.083 0.000 0.910 585 L HN 0.399 nan 8.230 nan 0.000 0.440 586 Q N -1.416 118.449 119.800 0.107 0.000 2.259 586 Q HA -0.070 4.290 4.340 0.034 0.000 0.201 586 Q C 1.964 178.045 176.000 0.135 0.000 0.938 586 Q CA 0.581 56.444 55.803 0.099 0.000 0.872 586 Q CB -0.009 28.789 28.738 0.101 0.000 0.971 586 Q HN 0.369 nan 8.270 nan 0.000 0.494 587 F N 1.213 121.181 119.950 0.030 0.000 2.546 587 F HA -0.108 4.439 4.527 0.035 0.000 0.298 587 F C 1.541 177.338 175.800 -0.005 0.000 1.120 587 F CA 0.450 58.463 58.000 0.023 0.000 1.456 587 F CB 0.085 39.104 39.000 0.033 0.000 1.088 587 F HN 0.023 nan 8.300 nan 0.000 0.572 588 L N 0.941 122.084 121.223 -0.134 0.000 2.141 588 L HA -0.054 4.307 4.340 0.034 0.000 0.209 588 L C 0.971 177.727 176.870 -0.191 0.000 1.094 588 L CA 0.999 55.713 54.840 -0.210 0.000 0.763 588 L CB -0.928 41.082 42.059 -0.081 0.000 0.908 588 L HN -0.115 nan 8.230 nan 0.000 0.437 589 K N 2.211 122.547 120.400 -0.106 0.000 2.364 589 K HA -0.118 4.222 4.320 0.034 0.000 0.265 589 K C 0.083 176.629 176.600 -0.090 0.000 1.189 589 K CA 0.376 56.623 56.287 -0.066 0.000 1.224 589 K CB -0.085 32.406 32.500 -0.015 0.000 0.813 589 K HN 0.084 nan 8.250 nan 0.000 0.490 590 K N 0.000 120.356 120.400 -0.074 0.000 2.780 590 K HA 0.000 4.341 4.320 0.034 0.000 0.191 590 K CA 0.000 56.247 56.287 -0.066 0.000 0.838 590 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 590 K HN 0.000 nan 8.250 nan 0.000 0.543