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 1bcc_1_B DATA FIRST_RESID 18 DATA SEQUENCE PPHPQDLEIT KLPNGLVIAS LENYSPGSTI GVFIKAGSRY ENSSNLGTSH DATA SEQUENCE LLRLASSLTT KGASSFKITR GIEAVGGKLS VESTRENMAY TVECLRDDVE DATA SEQUENCE ILMEFLLNVT TAPEFRPWEV ADLQPQLKID KAVAFQNPQT HVIENLHAAA DATA SEQUENCE YRNALADSLY CPDYRIGKVT SVELHDFVQN HFTSARMALV GLGVSHPVLK DATA SEQUENCE NVAEQLLNIR GGLGLSGAKA KYRGGEIREQ NGDSLVHAAI VAESAAIGGA DATA SEQUENCE EANAFSVLQH VLGANPHVKR GXXXXXXXXX XXXXXXXNPF DVSAFNASYS DATA SEQUENCE DSGLFGFYTI SQAAYAGQVI KAAYNQVKTI AQGNVSNENV QAAKNKLKAK DATA SEQUENCE YLMSVESSEG FLEEVGSQAL AAGSYNPPST VLQQIDAVAD ADVIKAAKKF DATA SEQUENCE VSRQKSMAAS GNLGHTPFVD EL 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.228 177.300 -0.120 0.000 1.155 18 P CA 0.000 63.026 63.100 -0.123 0.000 0.800 18 P CB 0.000 nan 31.700 nan 0.000 0.726 19 P HA 0.513 nan 4.420 nan 0.000 0.291 19 P C 0.606 177.828 177.300 -0.130 0.000 1.341 19 P CA 2.396 65.433 63.100 -0.105 0.000 0.999 19 P CB -0.090 nan 31.700 nan 0.000 1.501 20 H N -1.015 117.925 119.070 -0.217 0.000 2.969 20 H HA -0.038 4.518 4.556 -0.000 0.000 0.269 20 H C -1.814 173.428 175.328 -0.142 0.000 1.230 20 H CA 0.362 56.265 56.048 -0.242 0.000 1.123 20 H CB -3.150 26.523 29.762 -0.149 0.000 1.289 20 H HN 0.683 nan 8.280 nan 0.000 0.364 21 P HA 0.582 nan 4.420 nan 0.000 0.307 21 P C -0.633 176.646 177.300 -0.035 0.000 1.450 21 P CA -0.409 62.657 63.100 -0.057 0.000 1.026 21 P CB 1.917 33.589 31.700 -0.046 0.000 1.040 22 Q N 2.274 122.072 119.800 -0.004 0.000 3.966 22 Q HA 0.131 4.471 4.340 -0.000 0.000 0.198 22 Q C -1.041 174.960 176.000 0.001 0.000 0.872 22 Q CA -0.388 55.425 55.803 0.016 0.000 0.767 22 Q CB 0.393 29.170 28.738 0.065 0.000 1.516 22 Q HN 0.396 nan 8.270 nan 0.000 0.434 23 D N 3.123 123.516 120.400 -0.013 0.000 5.698 23 D HA -0.186 4.454 4.640 -0.000 0.000 0.147 23 D C 0.473 176.722 176.300 -0.085 0.000 1.063 23 D CA 1.068 55.047 54.000 -0.035 0.000 0.693 23 D CB 0.254 41.038 40.800 -0.026 0.000 1.316 23 D HN 0.600 nan 8.370 nan 0.000 0.740 24 L N -0.008 121.133 121.223 -0.136 0.000 2.698 24 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 24 L C 0.320 177.044 176.870 -0.244 0.000 1.154 24 L CA 0.056 54.775 54.840 -0.201 0.000 0.964 24 L CB -0.265 41.593 42.059 -0.334 0.000 1.272 24 L HN 0.099 nan 8.230 nan 0.000 0.483 25 E N 5.165 125.173 120.200 -0.320 0.000 2.290 25 E HA 0.460 4.810 4.350 -0.000 0.000 0.277 25 E C -0.501 175.747 176.600 -0.586 0.000 1.035 25 E CA -0.166 55.934 56.400 -0.500 0.000 0.873 25 E CB 1.599 30.867 29.700 -0.720 0.000 1.029 25 E HN 0.613 nan 8.360 nan 0.000 0.419 26 I N 2.895 123.291 120.570 -0.290 0.000 2.389 26 I HA 0.207 4.377 4.170 -0.000 0.000 0.288 26 I C -0.334 175.775 176.117 -0.013 0.000 0.999 26 I CA -0.578 60.656 61.300 -0.109 0.000 1.129 26 I CB 1.716 39.680 38.000 -0.060 0.000 1.288 26 I HN 0.471 nan 8.210 nan 0.000 0.444 27 T N 2.166 116.785 114.554 0.109 0.000 3.009 27 T HA 0.252 4.602 4.350 -0.000 0.000 0.346 27 T C -0.426 174.317 174.700 0.071 0.000 1.092 27 T CA -0.923 61.245 62.100 0.112 0.000 1.080 27 T CB 0.904 69.894 68.868 0.204 0.000 1.037 27 T HN 0.545 nan 8.240 nan 0.000 0.487 28 K N 3.681 124.105 120.400 0.040 0.000 2.307 28 K HA 0.439 4.759 4.320 -0.000 0.000 0.285 28 K C 0.811 177.423 176.600 0.020 0.000 1.073 28 K CA -0.379 55.922 56.287 0.025 0.000 0.996 28 K CB -0.619 31.891 32.500 0.018 0.000 0.994 28 K HN 0.772 nan 8.250 nan 0.000 0.452 29 L N 4.761 125.994 121.223 0.015 0.000 2.483 29 L HA 0.088 4.428 4.340 -0.000 0.000 0.277 29 L C -0.746 176.128 176.870 0.006 0.000 1.248 29 L CA -0.510 54.334 54.840 0.007 0.000 0.825 29 L CB -0.910 41.149 42.059 -0.000 0.000 1.096 29 L HN 0.727 nan 8.230 nan 0.000 0.512 30 P HA -0.160 nan 4.420 nan 0.000 0.219 30 P C 0.890 178.191 177.300 0.002 0.000 1.146 30 P CA 1.660 64.761 63.100 0.002 0.000 0.808 30 P CB 0.109 31.809 31.700 0.000 0.000 0.779 31 N N -0.037 118.664 118.700 0.000 0.000 2.080 31 N HA -0.086 4.654 4.740 -0.000 0.000 0.189 31 N C 1.755 177.266 175.510 0.002 0.000 1.036 31 N CA 2.288 55.338 53.050 -0.000 0.000 0.846 31 N CB -0.414 38.071 38.487 -0.002 0.000 1.015 31 N HN 0.317 nan 8.380 nan 0.000 0.423 32 G N -0.451 108.351 108.800 0.004 0.000 2.370 32 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.174 32 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.174 32 G C -0.324 174.579 174.900 0.006 0.000 1.002 32 G CA -0.307 44.797 45.100 0.006 0.000 0.730 32 G HN 0.242 nan 8.290 nan 0.000 0.497 33 L N 3.224 124.449 121.223 0.004 0.000 2.505 33 L HA 0.571 4.911 4.340 -0.000 0.000 0.279 33 L C 0.754 177.627 176.870 0.006 0.000 1.211 33 L CA -0.378 54.464 54.840 0.002 0.000 1.059 33 L CB 0.140 42.197 42.059 -0.003 0.000 1.340 33 L HN 0.051 nan 8.230 nan 0.000 0.447 34 V N 6.305 126.223 119.914 0.006 0.000 2.694 34 V HA 0.019 4.139 4.120 -0.000 0.000 0.306 34 V C 0.669 176.772 176.094 0.016 0.000 1.054 34 V CA 0.440 62.746 62.300 0.009 0.000 1.161 34 V CB 0.380 32.200 31.823 -0.004 0.000 0.916 34 V HN 0.514 nan 8.190 nan 0.000 0.490 35 I N 4.425 125.022 120.570 0.045 0.000 2.410 35 I HA 0.686 4.856 4.170 -0.000 0.000 0.286 35 I C 0.099 176.314 176.117 0.164 0.000 1.009 35 I CA -0.311 61.034 61.300 0.075 0.000 1.111 35 I CB 1.614 39.644 38.000 0.050 0.000 1.262 35 I HN 0.684 nan 8.210 nan 0.000 0.443 36 A N 4.773 127.650 122.820 0.096 0.000 2.374 36 A HA 0.939 5.259 4.320 -0.000 0.000 0.317 36 A C -0.350 177.286 177.584 0.087 0.000 1.094 36 A CA -0.403 51.664 52.037 0.049 0.000 0.765 36 A CB 1.793 20.750 19.000 -0.071 0.000 1.268 36 A HN 0.724 nan 8.150 nan 0.000 0.438 37 S N 0.021 115.760 115.700 0.066 0.000 2.776 37 S HA 0.831 5.301 4.470 -0.000 0.000 0.292 37 S C -1.435 173.174 174.600 0.016 0.000 1.187 37 S CA -0.578 57.680 58.200 0.098 0.000 0.834 37 S CB 1.546 64.910 63.200 0.273 0.000 1.199 37 S HN 2.154 nan 8.310 nan 0.000 0.514 38 L N 0.844 122.104 121.223 0.061 0.000 3.096 38 L HA 0.539 4.879 4.340 -0.000 0.000 0.242 38 L C -1.175 175.764 176.870 0.115 0.000 0.957 38 L CA -0.084 54.800 54.840 0.073 0.000 1.141 38 L CB 1.369 43.495 42.059 0.112 0.000 1.584 38 L HN 0.948 nan 8.230 nan 0.000 0.570 39 E N 2.316 122.587 120.200 0.118 0.000 1.791 39 E HA 0.195 4.545 4.350 -0.000 0.000 0.263 39 E C 0.714 177.477 176.600 0.272 0.000 1.213 39 E CA 0.343 56.832 56.400 0.148 0.000 0.991 39 E CB 0.216 29.999 29.700 0.139 0.000 1.068 39 E HN 0.640 nan 8.360 nan 0.000 0.417 40 N N 2.739 121.569 118.700 0.217 0.000 2.461 40 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 40 N C -0.418 175.294 175.510 0.337 0.000 1.134 40 N CA -0.002 53.176 53.050 0.214 0.000 0.878 40 N CB -0.263 38.289 38.487 0.108 0.000 0.972 40 N HN 0.404 nan 8.380 nan 0.000 0.456 41 Y N -1.218 119.096 120.300 0.022 0.000 4.569 41 Y HA -0.269 4.281 4.550 -0.000 0.000 0.237 41 Y C 0.496 176.406 175.900 0.017 0.000 1.090 41 Y CA 0.254 58.364 58.100 0.017 0.000 2.052 41 Y CB -2.421 36.044 38.460 0.009 0.000 1.621 41 Y HN 0.281 nan 8.280 nan 0.000 0.682 42 S N 1.818 117.577 115.700 0.099 0.000 2.576 42 S HA 0.263 4.732 4.470 -0.000 0.000 0.276 42 S C -0.180 174.438 174.600 0.030 0.000 1.339 42 S CA -0.577 57.663 58.200 0.066 0.000 1.039 42 S CB 0.987 64.226 63.200 0.065 0.000 0.902 42 S HN 0.227 nan 8.310 nan 0.000 0.516 43 P HA 0.080 nan 4.420 nan 0.000 0.221 43 P C 0.477 177.783 177.300 0.009 0.000 1.145 43 P CA 0.649 63.758 63.100 0.014 0.000 0.795 43 P CB -0.203 31.508 31.700 0.020 0.000 0.775 44 G N -0.337 108.475 108.800 0.020 0.000 2.542 44 G HA2 0.504 4.464 3.960 -0.000 0.000 0.311 44 G HA3 0.504 4.464 3.960 -0.000 0.000 0.311 44 G C -0.800 174.119 174.900 0.031 0.000 1.298 44 G CA -0.260 44.852 45.100 0.021 0.000 0.973 44 G HN 0.192 nan 8.290 nan 0.000 0.487 45 S N -0.505 115.212 115.700 0.027 0.000 2.677 45 S HA 0.891 5.361 4.470 -0.000 0.000 0.304 45 S C -0.305 174.319 174.600 0.040 0.000 1.108 45 S CA -0.455 57.767 58.200 0.038 0.000 0.944 45 S CB 2.116 65.331 63.200 0.025 0.000 1.127 45 S HN 1.483 nan 8.310 nan 0.000 0.511 46 T N -0.924 113.659 114.554 0.048 0.000 3.109 46 T HA 0.619 4.969 4.350 -0.000 0.000 0.311 46 T C -0.790 173.936 174.700 0.045 0.000 1.011 46 T CA -0.729 61.396 62.100 0.042 0.000 1.026 46 T CB 0.140 69.032 68.868 0.041 0.000 1.047 46 T HN 0.642 nan 8.240 nan 0.000 0.448 47 I N 2.365 122.960 120.570 0.042 0.000 2.577 47 I HA 0.798 4.968 4.170 -0.000 0.000 0.305 47 I C 0.800 176.949 176.117 0.054 0.000 0.986 47 I CA -0.960 60.370 61.300 0.050 0.000 1.189 47 I CB 1.973 39.997 38.000 0.039 0.000 1.355 47 I HN 1.000 nan 8.210 nan 0.000 0.476 48 G N 3.158 112.012 108.800 0.090 0.000 2.760 48 G HA2 0.506 4.466 3.960 -0.000 0.000 0.296 48 G HA3 0.506 4.466 3.960 -0.000 0.000 0.296 48 G C -1.621 173.353 174.900 0.123 0.000 1.427 48 G CA -0.339 44.795 45.100 0.056 0.000 1.109 48 G HN 0.296 nan 8.290 nan 0.000 0.553 49 V N 2.744 122.671 119.914 0.021 0.000 2.334 49 V HA 0.438 4.558 4.120 -0.000 0.000 0.267 49 V C -0.516 175.576 176.094 -0.004 0.000 1.040 49 V CA -0.515 61.820 62.300 0.059 0.000 0.866 49 V CB 0.038 31.840 31.823 -0.035 0.000 1.019 49 V HN 0.502 nan 8.190 nan 0.000 0.468 50 F N 5.313 125.243 119.950 -0.033 0.000 2.377 50 F HA 0.693 5.220 4.527 -0.000 0.000 0.328 50 F C 0.368 176.115 175.800 -0.088 0.000 1.094 50 F CA -0.812 57.166 58.000 -0.037 0.000 1.093 50 F CB 1.007 39.992 39.000 -0.026 0.000 1.214 50 F HN 0.223 nan 8.300 nan 0.000 0.518 51 I N 1.031 121.636 120.570 0.059 0.000 2.913 51 I HA 0.224 4.394 4.170 -0.000 0.000 0.302 51 I C -0.384 175.726 176.117 -0.010 0.000 1.246 51 I CA -0.984 60.275 61.300 -0.068 0.000 1.010 51 I CB 2.673 40.460 38.000 -0.356 0.000 1.259 51 I HN 0.448 nan 8.210 nan 0.000 0.434 52 K N 3.360 123.757 120.400 -0.005 0.000 3.173 52 K HA 0.469 4.789 4.320 -0.000 0.000 0.255 52 K C 0.046 176.585 176.600 -0.102 0.000 1.235 52 K CA -0.142 56.161 56.287 0.027 0.000 1.250 52 K CB 0.420 32.974 32.500 0.090 0.000 1.382 52 K HN 0.612 nan 8.250 nan 0.000 0.421 53 A N 0.429 123.193 122.820 -0.093 0.000 2.378 53 A HA 0.900 5.220 4.320 -0.000 0.000 0.293 53 A C 0.404 177.927 177.584 -0.101 0.000 1.250 53 A CA -0.050 51.897 52.037 -0.150 0.000 0.915 53 A CB 0.810 19.998 19.000 0.312 0.000 1.402 53 A HN 0.408 nan 8.150 nan 0.000 0.502 54 G N -2.485 106.347 108.800 0.053 0.000 2.347 54 G HA2 0.410 4.370 3.960 -0.000 0.000 0.321 54 G HA3 0.410 4.370 3.960 -0.000 0.000 0.321 54 G C 0.327 175.322 174.900 0.159 0.000 1.412 54 G CA 0.530 45.678 45.100 0.080 0.000 0.990 54 G HN 1.804 nan 8.290 nan 0.000 0.637 55 S N -0.328 115.397 115.700 0.042 0.000 2.547 55 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 55 S C 1.860 176.532 174.600 0.120 0.000 0.980 55 S CA 1.205 59.423 58.200 0.029 0.000 0.941 55 S CB -0.002 63.157 63.200 -0.068 0.000 0.763 55 S HN 0.709 nan 8.310 nan 0.000 0.532 56 R N 0.325 120.947 120.500 0.204 0.000 2.285 56 R HA -0.001 4.339 4.340 -0.000 0.000 0.213 56 R C -0.021 176.404 176.300 0.208 0.000 1.068 56 R CA 0.782 56.978 56.100 0.160 0.000 1.004 56 R CB -0.338 30.049 30.300 0.146 0.000 0.873 56 R HN 0.588 nan 8.270 nan 0.000 0.467 57 Y N 0.162 120.512 120.300 0.083 0.000 2.555 57 Y HA 0.344 4.894 4.550 -0.000 0.000 0.259 57 Y C 0.073 176.070 175.900 0.161 0.000 1.179 57 Y CA -0.794 57.381 58.100 0.125 0.000 1.230 57 Y CB 0.372 38.900 38.460 0.114 0.000 1.146 57 Y HN -0.057 nan 8.280 nan 0.000 0.526 58 E N 0.524 120.881 120.200 0.262 0.000 2.280 58 E HA 0.259 4.609 4.350 -0.000 0.000 0.264 58 E C -0.327 176.350 176.600 0.127 0.000 1.064 58 E CA -0.613 55.904 56.400 0.193 0.000 0.900 58 E CB 0.807 30.575 29.700 0.112 0.000 1.123 58 E HN 0.185 nan 8.360 nan 0.000 0.418 59 N N -0.150 118.619 118.700 0.114 0.000 2.619 59 N HA 0.050 4.790 4.740 -0.000 0.000 0.294 59 N C 0.730 176.292 175.510 0.086 0.000 1.279 59 N CA -0.217 52.888 53.050 0.091 0.000 0.867 59 N CB 1.225 39.767 38.487 0.092 0.000 1.329 59 N HN 0.459 nan 8.380 nan 0.000 0.557 60 S N -1.137 114.612 115.700 0.083 0.000 2.488 60 S HA -0.111 4.359 4.470 -0.000 0.000 0.246 60 S C 0.881 175.555 174.600 0.124 0.000 0.992 60 S CA 0.770 59.029 58.200 0.099 0.000 0.963 60 S CB -0.404 62.842 63.200 0.077 0.000 0.754 60 S HN 0.612 nan 8.310 nan 0.000 0.519 61 S N 1.026 116.787 115.700 0.101 0.000 2.806 61 S HA 0.549 5.019 4.470 -0.000 0.000 0.315 61 S C 0.548 175.194 174.600 0.076 0.000 1.127 61 S CA -0.235 58.025 58.200 0.099 0.000 0.918 61 S CB 1.080 64.331 63.200 0.085 0.000 1.240 61 S HN 0.570 nan 8.310 nan 0.000 0.552 62 N N -0.682 118.052 118.700 0.057 0.000 2.853 62 N HA -0.244 4.496 4.740 -0.000 0.000 0.239 62 N C -0.291 175.213 175.510 -0.010 0.000 0.967 62 N CA 1.267 54.341 53.050 0.040 0.000 0.973 62 N CB -2.039 36.506 38.487 0.098 0.000 1.104 62 N HN 0.743 nan 8.380 nan 0.000 0.602 63 L N 0.067 121.280 121.223 -0.015 0.000 2.510 63 L HA 0.085 4.425 4.340 -0.000 0.000 0.300 63 L C 2.252 179.047 176.870 -0.124 0.000 1.283 63 L CA 1.579 56.384 54.840 -0.059 0.000 0.834 63 L CB -0.470 41.548 42.059 -0.069 0.000 1.085 63 L HN 0.507 nan 8.230 nan 0.000 0.545 64 G N -0.046 108.679 108.800 -0.124 0.000 2.343 64 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.264 64 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.264 64 G C 1.105 175.882 174.900 -0.206 0.000 0.989 64 G CA 1.194 46.217 45.100 -0.129 0.000 0.627 64 G HN 0.779 nan 8.290 nan 0.000 0.549 65 T N 1.144 115.544 114.554 -0.256 0.000 2.802 65 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 65 T C 2.726 177.082 174.700 -0.572 0.000 1.062 65 T CA 3.001 64.888 62.100 -0.354 0.000 1.133 65 T CB -0.501 68.189 68.868 -0.298 0.000 0.852 65 T HN 1.315 nan 8.240 nan 0.000 0.485 66 S N -0.245 115.050 115.700 -0.675 0.000 2.345 66 S HA -0.173 4.297 4.470 -0.000 0.000 0.220 66 S C 1.878 176.298 174.600 -0.300 0.000 1.031 66 S CA 1.578 59.353 58.200 -0.709 0.000 0.996 66 S CB -1.156 61.737 63.200 -0.512 0.000 0.882 66 S HN 0.857 nan 8.310 nan 0.000 0.445 67 H N 1.064 119.952 119.070 -0.303 0.000 2.265 67 H HA -0.131 4.425 4.556 -0.000 0.000 0.295 67 H C 2.313 177.523 175.328 -0.197 0.000 1.084 67 H CA 1.601 57.524 56.048 -0.208 0.000 1.261 67 H CB -0.311 29.363 29.762 -0.146 0.000 1.360 67 H HN 0.352 nan 8.280 nan 0.000 0.487 68 L N 1.092 122.180 121.223 -0.225 0.000 2.081 68 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 68 L C 2.356 179.069 176.870 -0.263 0.000 1.080 68 L CA 1.307 55.963 54.840 -0.307 0.000 0.754 68 L CB -1.011 40.855 42.059 -0.321 0.000 0.893 68 L HN 0.447 nan 8.230 nan 0.000 0.433 69 L N -0.004 121.049 121.223 -0.284 0.000 2.083 69 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 69 L C 2.665 179.471 176.870 -0.107 0.000 1.083 69 L CA 2.041 56.717 54.840 -0.274 0.000 0.752 69 L CB -0.906 40.987 42.059 -0.276 0.000 0.899 69 L HN 0.488 nan 8.230 nan 0.000 0.433 70 R N -0.602 119.853 120.500 -0.074 0.000 2.193 70 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 70 R C 2.114 178.384 176.300 -0.049 0.000 1.110 70 R CA 0.970 57.035 56.100 -0.059 0.000 0.988 70 R CB 0.028 30.292 30.300 -0.060 0.000 0.871 70 R HN 0.440 nan 8.270 nan 0.000 0.458 71 L N -0.786 120.407 121.223 -0.049 0.000 2.416 71 L HA 0.198 4.538 4.340 -0.000 0.000 0.216 71 L C 2.167 178.992 176.870 -0.075 0.000 1.098 71 L CA 0.410 55.218 54.840 -0.053 0.000 0.840 71 L CB -0.073 41.944 42.059 -0.071 0.000 0.981 71 L HN 0.172 nan 8.230 nan 0.000 0.462 72 A N -0.163 122.583 122.820 -0.123 0.000 2.209 72 A HA -0.086 4.234 4.320 -0.000 0.000 0.212 72 A C 2.290 179.872 177.584 -0.004 0.000 1.158 72 A CA 1.047 53.002 52.037 -0.136 0.000 0.742 72 A CB -0.378 18.401 19.000 -0.368 0.000 0.790 72 A HN 0.373 nan 8.150 nan 0.000 0.472 73 S N 1.055 116.786 115.700 0.052 0.000 2.426 73 S HA -0.298 4.172 4.470 -0.000 0.000 0.253 73 S C 1.993 176.662 174.600 0.115 0.000 1.104 73 S CA 2.201 60.486 58.200 0.142 0.000 1.158 73 S CB -0.708 62.535 63.200 0.072 0.000 1.043 73 S HN 0.993 nan 8.310 nan 0.000 0.443 74 S N 0.954 116.686 115.700 0.053 0.000 2.593 74 S HA 0.318 4.788 4.470 -0.000 0.000 0.217 74 S C 0.483 175.111 174.600 0.045 0.000 0.966 74 S CA -0.252 57.971 58.200 0.038 0.000 0.914 74 S CB -0.498 62.705 63.200 0.005 0.000 0.776 74 S HN 0.320 nan 8.310 nan 0.000 0.523 75 L N 2.895 124.150 121.223 0.054 0.000 2.464 75 L HA 0.236 4.576 4.340 -0.000 0.000 0.264 75 L C 1.104 178.019 176.870 0.075 0.000 1.199 75 L CA -0.583 54.288 54.840 0.052 0.000 0.818 75 L CB 0.084 42.166 42.059 0.037 0.000 1.102 75 L HN 0.249 nan 8.230 nan 0.000 0.473 76 T N -1.319 113.265 114.554 0.050 0.000 2.908 76 T HA 0.204 4.554 4.350 -0.000 0.000 0.325 76 T C 0.235 174.960 174.700 0.041 0.000 1.092 76 T CA -0.330 61.802 62.100 0.054 0.000 1.125 76 T CB 0.580 69.466 68.868 0.031 0.000 1.016 76 T HN 0.836 nan 8.240 nan 0.000 0.550 77 T N -0.633 113.951 114.554 0.049 0.000 2.676 77 T HA 0.512 4.862 4.350 -0.000 0.000 0.269 77 T C 0.793 175.500 174.700 0.012 0.000 0.952 77 T CA -1.126 60.984 62.100 0.017 0.000 1.040 77 T CB 1.470 70.364 68.868 0.043 0.000 1.352 77 T HN 0.526 nan 8.240 nan 0.000 0.554 78 K N -0.396 120.002 120.400 -0.004 0.000 2.242 78 K HA 0.251 4.571 4.320 -0.000 0.000 0.200 78 K C 2.134 178.742 176.600 0.013 0.000 1.050 78 K CA 0.626 56.914 56.287 0.001 0.000 0.981 78 K CB -0.143 32.346 32.500 -0.018 0.000 0.795 78 K HN 0.689 nan 8.250 nan 0.000 0.477 79 G N 0.538 109.345 108.800 0.011 0.000 2.744 79 G HA2 0.287 4.247 3.960 -0.000 0.000 0.211 79 G HA3 0.287 4.247 3.960 -0.000 0.000 0.211 79 G C 0.013 174.934 174.900 0.035 0.000 1.146 79 G CA 0.297 45.398 45.100 0.003 0.000 0.787 79 G HN 0.278 nan 8.290 nan 0.000 0.534 80 A N -0.067 122.808 122.820 0.092 0.000 2.566 80 A HA 0.639 4.959 4.320 -0.000 0.000 0.297 80 A C -0.181 177.510 177.584 0.178 0.000 1.059 80 A CA -0.079 52.066 52.037 0.181 0.000 0.691 80 A CB 0.806 20.012 19.000 0.342 0.000 1.282 80 A HN 0.758 nan 8.150 nan 0.000 0.401 81 S N 0.936 116.750 115.700 0.190 0.000 2.584 81 S HA 0.416 4.886 4.470 -0.000 0.000 0.273 81 S C 1.281 175.985 174.600 0.173 0.000 1.311 81 S CA 0.360 58.667 58.200 0.178 0.000 1.034 81 S CB 1.472 64.794 63.200 0.203 0.000 0.939 81 S HN 1.702 nan 8.310 nan 0.000 0.513 82 S N 1.370 117.158 115.700 0.147 0.000 2.428 82 S HA -0.195 4.275 4.470 -0.000 0.000 0.240 82 S C 1.203 175.873 174.600 0.117 0.000 1.036 82 S CA 1.735 60.003 58.200 0.112 0.000 1.009 82 S CB -0.870 62.397 63.200 0.111 0.000 0.803 82 S HN 0.742 nan 8.310 nan 0.000 0.486 83 F N 1.987 121.952 119.950 0.026 0.000 2.025 83 F HA 0.113 4.640 4.527 -0.000 0.000 0.291 83 F C 2.290 178.074 175.800 -0.026 0.000 1.150 83 F CA 2.054 60.058 58.000 0.007 0.000 1.166 83 F CB -0.965 38.052 39.000 0.028 0.000 0.995 83 F HN 0.091 nan 8.300 nan 0.000 0.474 84 K N 0.817 121.258 120.400 0.069 0.000 2.107 84 K HA -0.292 4.028 4.320 -0.000 0.000 0.211 84 K C 2.333 178.754 176.600 -0.297 0.000 1.049 84 K CA 2.384 58.643 56.287 -0.047 0.000 0.927 84 K CB -0.805 31.841 32.500 0.242 0.000 0.714 84 K HN 0.635 nan 8.250 nan 0.000 0.452 85 I N 0.287 120.710 120.570 -0.245 0.000 2.179 85 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 85 I C 1.687 177.389 176.117 -0.691 0.000 1.088 85 I CA 1.893 62.787 61.300 -0.677 0.000 1.357 85 I CB -0.340 37.575 38.000 -0.141 0.000 1.051 85 I HN 0.188 nan 8.210 nan 0.000 0.409 86 T N 1.165 115.484 114.554 -0.392 0.000 2.674 86 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 86 T C 2.005 176.471 174.700 -0.390 0.000 1.039 86 T CA 1.431 63.336 62.100 -0.325 0.000 1.150 86 T CB -0.266 68.482 68.868 -0.200 0.000 0.864 86 T HN 0.389 nan 8.240 nan 0.000 0.427 87 R N 0.435 120.634 120.500 -0.502 0.000 2.148 87 R HA 0.026 4.366 4.340 -0.000 0.000 0.223 87 R C 2.812 178.883 176.300 -0.382 0.000 1.088 87 R CA 0.962 56.788 56.100 -0.457 0.000 0.985 87 R CB -0.639 29.263 30.300 -0.663 0.000 0.880 87 R HN 0.439 nan 8.270 nan 0.000 0.451 88 G N 1.769 110.266 108.800 -0.504 0.000 2.480 88 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 88 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 88 G C 1.456 176.150 174.900 -0.344 0.000 1.200 88 G CA 0.670 45.510 45.100 -0.434 0.000 0.782 88 G HN 0.149 nan 8.290 nan 0.000 0.554 89 I N 0.521 120.766 120.570 -0.543 0.000 2.208 89 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 89 I C 2.790 178.825 176.117 -0.136 0.000 1.097 89 I CA 1.370 62.523 61.300 -0.244 0.000 1.363 89 I CB -0.327 37.529 38.000 -0.240 0.000 1.051 89 I HN 0.278 nan 8.210 nan 0.000 0.413 90 E N 0.815 120.913 120.200 -0.171 0.000 2.110 90 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 90 E C 2.279 178.832 176.600 -0.078 0.000 0.988 90 E CA 1.170 57.502 56.400 -0.113 0.000 0.804 90 E CB -0.147 29.476 29.700 -0.127 0.000 0.745 90 E HN 0.519 nan 8.360 nan 0.000 0.458 91 A N 0.616 123.386 122.820 -0.083 0.000 2.125 91 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 91 A C 2.212 179.787 177.584 -0.016 0.000 1.156 91 A CA 0.950 52.961 52.037 -0.043 0.000 0.671 91 A CB -0.014 18.966 19.000 -0.034 0.000 0.794 91 A HN 0.118 nan 8.150 nan 0.000 0.459 92 V N -1.854 118.054 119.914 -0.011 0.000 3.431 92 V HA 0.333 4.453 4.120 -0.000 0.000 0.253 92 V C 1.646 177.740 176.094 0.000 0.000 1.184 92 V CA 0.911 63.215 62.300 0.007 0.000 1.104 92 V CB -0.249 31.593 31.823 0.031 0.000 0.799 92 V HN 1.055 nan 8.190 nan 0.000 0.462 93 G N 0.329 109.121 108.800 -0.013 0.000 2.140 93 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.211 93 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.211 93 G C 0.451 175.346 174.900 -0.008 0.000 1.013 93 G CA -0.042 45.051 45.100 -0.011 0.000 0.705 93 G HN 0.857 nan 8.290 nan 0.000 0.508 94 G N -0.900 107.893 108.800 -0.011 0.000 2.563 94 G HA2 0.587 4.547 3.960 -0.000 0.000 0.283 94 G HA3 0.587 4.547 3.960 -0.000 0.000 0.283 94 G C -0.236 174.656 174.900 -0.015 0.000 1.309 94 G CA -0.313 44.785 45.100 -0.003 0.000 1.022 94 G HN 0.316 nan 8.290 nan 0.000 0.501 95 K N 0.067 120.463 120.400 -0.007 0.000 2.695 95 K HA 0.226 4.546 4.320 -0.000 0.000 0.255 95 K C -1.573 175.022 176.600 -0.007 0.000 1.016 95 K CA -0.366 55.913 56.287 -0.014 0.000 0.928 95 K CB 1.836 34.331 32.500 -0.009 0.000 1.235 95 K HN 0.394 nan 8.250 nan 0.000 0.467 96 L N 2.464 123.678 121.223 -0.014 0.000 2.309 96 L HA 0.570 4.910 4.340 -0.000 0.000 0.282 96 L C -0.479 176.380 176.870 -0.017 0.000 1.036 96 L CA -0.034 54.808 54.840 0.003 0.000 0.806 96 L CB 1.222 43.289 42.059 0.013 0.000 1.220 96 L HN 0.805 nan 8.230 nan 0.000 0.429 97 S N 3.047 118.729 115.700 -0.031 0.000 2.588 97 S HA 0.689 5.159 4.470 -0.000 0.000 0.269 97 S C -1.326 173.178 174.600 -0.159 0.000 1.157 97 S CA -0.827 57.326 58.200 -0.078 0.000 0.824 97 S CB 1.947 65.106 63.200 -0.068 0.000 1.126 97 S HN 0.320 nan 8.310 nan 0.000 0.464 98 V N 1.327 121.107 119.914 -0.225 0.000 2.447 98 V HA 0.517 4.637 4.120 -0.000 0.000 0.292 98 V C -1.158 174.762 176.094 -0.290 0.000 1.021 98 V CA -0.505 61.560 62.300 -0.392 0.000 0.850 98 V CB 1.264 32.716 31.823 -0.618 0.000 1.005 98 V HN 0.910 nan 8.190 nan 0.000 0.426 99 E N 2.301 122.341 120.200 -0.267 0.000 2.146 99 E HA 0.610 4.960 4.350 -0.000 0.000 0.282 99 E C -0.280 176.205 176.600 -0.192 0.000 0.989 99 E CA 0.125 56.410 56.400 -0.191 0.000 0.799 99 E CB 1.768 31.380 29.700 -0.146 0.000 1.088 99 E HN 0.619 nan 8.360 nan 0.000 0.397 100 S N 2.325 117.923 115.700 -0.169 0.000 2.536 100 S HA 0.716 5.186 4.470 -0.000 0.000 0.298 100 S C -0.571 173.955 174.600 -0.123 0.000 1.083 100 S CA -0.518 57.595 58.200 -0.145 0.000 0.995 100 S CB 1.034 64.135 63.200 -0.165 0.000 1.058 100 S HN 0.408 nan 8.310 nan 0.000 0.488 101 T N 2.712 117.222 114.554 -0.072 0.000 2.910 101 T HA 0.420 4.770 4.350 -0.000 0.000 0.287 101 T C 1.145 175.814 174.700 -0.052 0.000 1.050 101 T CA -0.895 61.180 62.100 -0.041 0.000 1.011 101 T CB 1.144 70.040 68.868 0.047 0.000 1.195 101 T HN 0.619 nan 8.240 nan 0.000 0.540 102 R N 0.854 121.318 120.500 -0.060 0.000 2.211 102 R HA -0.103 4.237 4.340 -0.000 0.000 0.240 102 R C 1.103 177.387 176.300 -0.026 0.000 1.144 102 R CA 1.451 57.489 56.100 -0.103 0.000 0.992 102 R CB -0.055 30.114 30.300 -0.219 0.000 0.869 102 R HN 0.721 nan 8.270 nan 0.000 0.462 103 E N 0.292 120.507 120.200 0.025 0.000 3.191 103 E HA 0.098 4.448 4.350 -0.000 0.000 0.192 103 E C -1.099 175.566 176.600 0.109 0.000 0.972 103 E CA -0.576 55.894 56.400 0.117 0.000 1.266 103 E CB 0.189 29.965 29.700 0.127 0.000 1.076 103 E HN 0.172 nan 8.360 nan 0.000 0.462 104 N N 0.940 119.679 118.700 0.064 0.000 3.126 104 N HA 0.157 4.897 4.740 -0.000 0.000 0.233 104 N C -1.263 174.258 175.510 0.019 0.000 1.069 104 N CA -0.430 52.655 53.050 0.059 0.000 1.071 104 N CB 0.781 39.331 38.487 0.105 0.000 1.683 104 N HN 0.053 nan 8.380 nan 0.000 0.586 105 M N 1.471 121.073 119.600 0.003 0.000 2.181 105 M HA 0.627 5.107 4.480 -0.000 0.000 0.323 105 M C -0.434 175.808 176.300 -0.096 0.000 1.004 105 M CA -0.572 54.703 55.300 -0.043 0.000 0.941 105 M CB 2.168 34.802 32.600 0.056 0.000 1.579 105 M HN 0.750 nan 8.290 nan 0.000 0.427 106 A N 3.278 125.956 122.820 -0.237 0.000 2.271 106 A HA 0.666 4.986 4.320 -0.000 0.000 0.317 106 A C -1.620 175.761 177.584 -0.339 0.000 1.245 106 A CA -0.395 51.378 52.037 -0.440 0.000 0.857 106 A CB 0.310 18.835 19.000 -0.792 0.000 1.175 106 A HN 0.733 nan 8.150 nan 0.000 0.512 107 Y N 2.362 122.473 120.300 -0.315 0.000 2.504 107 Y HA 0.382 4.932 4.550 -0.000 0.000 0.339 107 Y C 1.358 177.151 175.900 -0.180 0.000 0.974 107 Y CA -0.016 57.976 58.100 -0.180 0.000 1.232 107 Y CB 1.221 39.621 38.460 -0.100 0.000 1.108 107 Y HN 0.796 nan 8.280 nan 0.000 0.509 108 T N -0.761 113.748 114.554 -0.075 0.000 2.893 108 T HA 0.817 5.167 4.350 -0.000 0.000 0.279 108 T C -0.669 174.032 174.700 0.002 0.000 0.991 108 T CA -0.945 61.120 62.100 -0.057 0.000 0.950 108 T CB 1.873 70.682 68.868 -0.097 0.000 1.223 108 T HN 0.415 nan 8.240 nan 0.000 0.585 109 V N 1.252 121.172 119.914 0.009 0.000 2.863 109 V HA 0.338 4.458 4.120 -0.000 0.000 0.259 109 V C -1.372 174.738 176.094 0.026 0.000 1.683 109 V CA -0.572 61.743 62.300 0.026 0.000 0.892 109 V CB 1.495 33.351 31.823 0.055 0.000 1.222 109 V HN 1.288 nan 8.190 nan 0.000 0.469 110 E N 6.503 126.715 120.200 0.021 0.000 2.259 110 E HA 0.961 5.311 4.350 -0.000 0.000 0.257 110 E C -0.050 176.565 176.600 0.024 0.000 0.998 110 E CA -0.046 56.368 56.400 0.023 0.000 0.866 110 E CB 2.344 32.056 29.700 0.020 0.000 1.220 110 E HN 1.511 nan 8.360 nan 0.000 0.415 111 C N -1.087 118.227 119.300 0.023 0.000 3.297 111 C HA 0.612 5.072 4.460 -0.000 0.000 0.302 111 C C -1.312 173.688 174.990 0.017 0.000 1.774 111 C CA -0.432 58.598 59.018 0.020 0.000 1.075 111 C CB -0.793 26.963 27.740 0.026 0.000 1.993 111 C HN 1.075 nan 8.230 nan 0.000 0.385 112 L N -1.001 120.230 121.223 0.014 0.000 2.461 112 L HA 0.785 5.125 4.340 -0.000 0.000 0.242 112 L C 0.812 177.682 176.870 0.001 0.000 1.143 112 L CA -0.594 54.251 54.840 0.008 0.000 0.984 112 L CB 0.462 42.525 42.059 0.007 0.000 1.573 112 L HN 1.409 nan 8.230 nan 0.000 0.404 113 R N -0.314 120.182 120.500 -0.007 0.000 3.188 113 R HA -0.353 3.987 4.340 -0.000 0.000 0.678 113 R C 0.569 176.861 176.300 -0.014 0.000 0.241 113 R CA 2.337 58.429 56.100 -0.014 0.000 2.074 113 R CB -1.636 28.659 30.300 -0.009 0.000 0.714 113 R HN 0.909 nan 8.270 nan 0.000 0.670 114 D N -0.088 120.305 120.400 -0.010 0.000 2.349 114 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 114 D C 0.590 176.889 176.300 -0.001 0.000 1.029 114 D CA 0.549 54.544 54.000 -0.010 0.000 0.879 114 D CB -0.198 40.596 40.800 -0.010 0.000 0.906 114 D HN 0.341 nan 8.370 nan 0.000 0.528 115 D N -0.399 120.004 120.400 0.006 0.000 2.390 115 D HA -0.068 4.572 4.640 -0.000 0.000 0.235 115 D C 1.712 178.027 176.300 0.024 0.000 1.040 115 D CA 0.179 54.189 54.000 0.018 0.000 0.923 115 D CB 0.630 41.442 40.800 0.020 0.000 0.886 115 D HN 0.207 nan 8.370 nan 0.000 0.532 116 V N 0.314 120.236 119.914 0.013 0.000 2.379 116 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 116 V C 2.465 178.564 176.094 0.010 0.000 1.035 116 V CA 1.015 63.324 62.300 0.015 0.000 1.035 116 V CB -0.254 31.572 31.823 0.005 0.000 0.673 116 V HN 0.153 nan 8.190 nan 0.000 0.457 117 E N 0.529 120.727 120.200 -0.003 0.000 2.070 117 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 117 E C 2.131 178.717 176.600 -0.023 0.000 1.004 117 E CA 2.078 58.468 56.400 -0.018 0.000 0.805 117 E CB -0.190 29.498 29.700 -0.020 0.000 0.744 117 E HN 0.617 nan 8.360 nan 0.000 0.451 118 I N 0.584 121.153 120.570 -0.002 0.000 2.394 118 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 118 I C 2.476 178.623 176.117 0.050 0.000 1.136 118 I CA 0.260 61.567 61.300 0.011 0.000 1.425 118 I CB -0.167 37.864 38.000 0.052 0.000 1.079 118 I HN 0.235 nan 8.210 nan 0.000 0.425 119 L N 0.314 121.584 121.223 0.079 0.000 2.027 119 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 119 L C 2.464 179.396 176.870 0.103 0.000 1.074 119 L CA 1.755 56.684 54.840 0.149 0.000 0.745 119 L CB -0.439 41.678 42.059 0.097 0.000 0.898 119 L HN 0.092 nan 8.230 nan 0.000 0.433 120 M N -0.279 119.331 119.600 0.017 0.000 2.116 120 M HA -0.316 4.164 4.480 -0.000 0.000 0.255 120 M C 2.213 178.463 176.300 -0.084 0.000 1.075 120 M CA 2.008 57.296 55.300 -0.020 0.000 1.087 120 M CB -1.295 31.283 32.600 -0.035 0.000 1.340 120 M HN 0.505 nan 8.290 nan 0.000 0.402 121 E N -0.170 119.901 120.200 -0.215 0.000 2.065 121 E HA -0.242 4.108 4.350 -0.000 0.000 0.201 121 E C 1.877 178.267 176.600 -0.350 0.000 1.016 121 E CA 1.863 58.046 56.400 -0.362 0.000 0.818 121 E CB -0.137 29.196 29.700 -0.611 0.000 0.749 121 E HN 0.424 nan 8.360 nan 0.000 0.453 122 F N 0.503 120.452 119.950 -0.001 0.000 2.102 122 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 122 F C 2.322 178.127 175.800 0.008 0.000 1.105 122 F CA 0.908 58.911 58.000 0.004 0.000 1.239 122 F CB -0.998 38.004 39.000 0.004 0.000 0.991 122 F HN 0.160 nan 8.300 nan 0.000 0.474 123 L N 0.150 121.470 121.223 0.161 0.000 2.043 123 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 123 L C 2.225 179.110 176.870 0.024 0.000 1.075 123 L CA 1.466 56.363 54.840 0.094 0.000 0.752 123 L CB -1.174 40.929 42.059 0.072 0.000 0.891 123 L HN 0.178 nan 8.230 nan 0.000 0.432 124 L N 0.149 121.367 121.223 -0.008 0.000 1.971 124 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 124 L C 2.390 179.241 176.870 -0.030 0.000 1.072 124 L CA 2.094 56.913 54.840 -0.036 0.000 0.758 124 L CB -1.049 40.975 42.059 -0.059 0.000 0.889 124 L HN 0.427 nan 8.230 nan 0.000 0.433 125 N N -0.493 118.197 118.700 -0.018 0.000 2.043 125 N HA -0.185 4.555 4.740 -0.000 0.000 0.193 125 N C 1.866 177.385 175.510 0.015 0.000 1.037 125 N CA 1.980 55.030 53.050 -0.000 0.000 0.851 125 N CB -0.508 37.996 38.487 0.029 0.000 1.027 125 N HN 0.292 nan 8.380 nan 0.000 0.422 126 V N 1.392 121.337 119.914 0.052 0.000 2.317 126 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 126 V C 2.525 178.601 176.094 -0.030 0.000 1.065 126 V CA 2.379 64.715 62.300 0.060 0.000 1.049 126 V CB -1.190 30.706 31.823 0.121 0.000 0.651 126 V HN 0.579 nan 8.190 nan 0.000 0.450 127 T N -3.125 111.356 114.554 -0.121 0.000 3.051 127 T HA -0.047 4.303 4.350 -0.000 0.000 0.255 127 T C 1.541 176.250 174.700 0.015 0.000 1.085 127 T CA 1.246 63.244 62.100 -0.170 0.000 1.109 127 T CB 0.015 68.690 68.868 -0.322 0.000 0.921 127 T HN 0.629 nan 8.240 nan 0.000 0.488 128 T N -1.884 112.660 114.554 -0.018 0.000 2.954 128 T HA 0.576 4.926 4.350 -0.000 0.000 0.252 128 T C 1.397 176.068 174.700 -0.050 0.000 0.983 128 T CA 0.231 62.326 62.100 -0.009 0.000 0.941 128 T CB 0.017 68.875 68.868 -0.017 0.000 1.141 128 T HN 0.371 nan 8.240 nan 0.000 0.500 129 A N 2.155 124.937 122.820 -0.063 0.000 2.701 129 A HA 0.612 4.932 4.320 -0.000 0.000 0.297 129 A C -2.755 174.746 177.584 -0.138 0.000 1.197 129 A CA -1.177 50.809 52.037 -0.086 0.000 0.963 129 A CB -0.152 18.818 19.000 -0.050 0.000 1.175 129 A HN 0.343 nan 8.150 nan 0.000 0.531 130 P HA 0.157 nan 4.420 nan 0.000 0.273 130 P C -0.297 176.556 177.300 -0.744 0.000 1.319 130 P CA 0.276 63.138 63.100 -0.397 0.000 0.885 130 P CB 0.043 31.490 31.700 -0.422 0.000 1.015 131 E N 3.882 123.858 120.200 -0.374 0.000 2.127 131 E HA 0.181 4.531 4.350 -0.000 0.000 0.262 131 E C -0.749 175.742 176.600 -0.181 0.000 1.144 131 E CA -0.917 55.317 56.400 -0.276 0.000 1.144 131 E CB -0.322 29.322 29.700 -0.093 0.000 1.297 131 E HN 0.137 nan 8.360 nan 0.000 0.469 132 F N 2.044 121.868 119.950 -0.210 0.000 2.514 132 F HA 0.001 4.528 4.527 -0.000 0.000 0.399 132 F C 0.983 176.688 175.800 -0.158 0.000 1.011 132 F CA -0.160 57.719 58.000 -0.201 0.000 1.109 132 F CB -0.173 38.675 39.000 -0.253 0.000 0.980 132 F HN 0.243 nan 8.300 nan 0.000 0.538 133 R N 6.458 126.847 120.500 -0.185 0.000 2.308 133 R HA 0.167 4.507 4.340 -0.000 0.000 0.305 133 R C -1.331 174.688 176.300 -0.468 0.000 1.053 133 R CA -1.536 54.235 56.100 -0.549 0.000 0.957 133 R CB 0.638 30.141 30.300 -1.328 0.000 1.022 133 R HN 0.296 nan 8.270 nan 0.000 0.461 134 P HA -0.220 nan 4.420 nan 0.000 0.218 134 P C 0.479 177.811 177.300 0.052 0.000 1.146 134 P CA 1.642 64.720 63.100 -0.037 0.000 0.820 134 P CB 0.036 31.794 31.700 0.096 0.000 0.778 135 W N 0.832 122.156 121.300 0.041 0.000 2.539 135 W HA 0.108 4.768 4.660 -0.000 0.000 0.315 135 W C 2.047 178.579 176.519 0.022 0.000 1.148 135 W CA 0.238 57.599 57.345 0.025 0.000 1.403 135 W CB -1.927 27.547 29.460 0.023 0.000 1.168 135 W HN 0.029 nan 8.180 nan 0.000 0.489 136 E N 0.923 121.144 120.200 0.034 0.000 2.197 136 E HA -0.263 4.087 4.350 -0.000 0.000 0.205 136 E C 2.183 178.765 176.600 -0.031 0.000 1.029 136 E CA 2.906 59.300 56.400 -0.009 0.000 0.828 136 E CB -0.431 29.176 29.700 -0.156 0.000 0.737 136 E HN 0.262 nan 8.360 nan 0.000 0.464 137 V N -1.660 118.212 119.914 -0.069 0.000 2.346 137 V HA 0.029 4.149 4.120 -0.000 0.000 0.244 137 V C 2.284 178.353 176.094 -0.042 0.000 1.037 137 V CA 1.439 63.688 62.300 -0.084 0.000 1.029 137 V CB -0.686 31.070 31.823 -0.112 0.000 0.663 137 V HN 0.204 nan 8.190 nan 0.000 0.454 138 A N 0.322 123.144 122.820 0.004 0.000 2.032 138 A HA -0.309 4.011 4.320 -0.000 0.000 0.221 138 A C 1.898 179.496 177.584 0.023 0.000 1.165 138 A CA 2.494 54.544 52.037 0.023 0.000 0.645 138 A CB -0.959 18.083 19.000 0.069 0.000 0.807 138 A HN 0.727 nan 8.150 nan 0.000 0.453 139 D N -2.089 118.335 120.400 0.040 0.000 2.354 139 D HA 0.080 4.720 4.640 -0.000 0.000 0.209 139 D C 1.485 177.788 176.300 0.004 0.000 1.015 139 D CA 0.278 54.301 54.000 0.038 0.000 0.867 139 D CB 0.117 40.967 40.800 0.084 0.000 0.933 139 D HN 0.283 nan 8.370 nan 0.000 0.520 140 L N 0.075 121.283 121.223 -0.025 0.000 2.286 140 L HA 0.166 4.506 4.340 -0.000 0.000 0.203 140 L C 1.894 178.715 176.870 -0.081 0.000 1.068 140 L CA 1.207 56.015 54.840 -0.053 0.000 0.811 140 L CB -0.539 41.472 42.059 -0.079 0.000 0.989 140 L HN -0.078 nan 8.230 nan 0.000 0.467 141 Q N 0.889 120.632 119.800 -0.096 0.000 2.224 141 Q HA -0.209 4.131 4.340 -0.000 0.000 0.213 141 Q C -0.671 175.262 176.000 -0.112 0.000 0.998 141 Q CA 2.354 58.084 55.803 -0.123 0.000 0.895 141 Q CB -1.484 27.187 28.738 -0.111 0.000 0.926 141 Q HN 0.512 nan 8.270 nan 0.000 0.417 142 P HA -0.197 nan 4.420 nan 0.000 0.223 142 P C 0.978 178.233 177.300 -0.076 0.000 1.144 142 P CA 1.221 64.280 63.100 -0.069 0.000 0.783 142 P CB 0.161 31.834 31.700 -0.045 0.000 0.771 143 Q N 0.797 120.549 119.800 -0.081 0.000 2.002 143 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 143 Q C 2.386 178.334 176.000 -0.087 0.000 0.988 143 Q CA 1.614 57.374 55.803 -0.071 0.000 0.843 143 Q CB -1.311 27.386 28.738 -0.069 0.000 0.908 143 Q HN 0.145 nan 8.270 nan 0.000 0.420 144 L N 0.388 121.521 121.223 -0.151 0.000 2.095 144 L HA -0.396 3.944 4.340 -0.000 0.000 0.229 144 L C 2.516 179.326 176.870 -0.100 0.000 1.097 144 L CA 2.244 56.966 54.840 -0.196 0.000 0.813 144 L CB -0.807 41.066 42.059 -0.310 0.000 0.907 144 L HN 0.297 nan 8.230 nan 0.000 0.445 145 K N -0.088 120.247 120.400 -0.108 0.000 2.144 145 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 145 K C 1.939 178.480 176.600 -0.098 0.000 1.047 145 K CA 2.313 58.538 56.287 -0.104 0.000 0.927 145 K CB -0.176 32.272 32.500 -0.087 0.000 0.716 145 K HN 0.597 nan 8.250 nan 0.000 0.454 146 I N -3.514 117.013 120.570 -0.070 0.000 2.729 146 I HA -0.009 4.161 4.170 -0.000 0.000 0.256 146 I C 1.918 178.009 176.117 -0.044 0.000 1.115 146 I CA 0.901 62.166 61.300 -0.059 0.000 1.446 146 I CB -0.518 37.457 38.000 -0.042 0.000 1.176 146 I HN -0.113 nan 8.210 nan 0.000 0.446 147 D N 1.911 122.307 120.400 -0.007 0.000 2.170 147 D HA -0.328 4.312 4.640 -0.000 0.000 0.193 147 D C 2.195 178.488 176.300 -0.011 0.000 1.004 147 D CA 2.197 56.220 54.000 0.038 0.000 0.860 147 D CB -0.082 40.803 40.800 0.141 0.000 0.931 147 D HN 0.444 nan 8.370 nan 0.000 0.448 148 K N -0.477 119.904 120.400 -0.032 0.000 2.062 148 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 148 K C 2.095 178.557 176.600 -0.230 0.000 1.051 148 K CA 1.105 57.271 56.287 -0.201 0.000 0.941 148 K CB -0.238 32.163 32.500 -0.165 0.000 0.719 148 K HN 0.141 nan 8.250 nan 0.000 0.440 149 A N 1.124 123.836 122.820 -0.179 0.000 1.908 149 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 149 A C 2.261 179.815 177.584 -0.051 0.000 1.181 149 A CA 1.991 53.945 52.037 -0.138 0.000 0.627 149 A CB -0.913 18.021 19.000 -0.110 0.000 0.818 149 A HN 0.328 nan 8.150 nan 0.000 0.445 150 V N -2.445 117.441 119.914 -0.046 0.000 2.323 150 V HA 0.003 4.123 4.120 -0.000 0.000 0.244 150 V C 2.561 178.641 176.094 -0.024 0.000 1.041 150 V CA 1.710 63.994 62.300 -0.026 0.000 1.025 150 V CB -1.578 30.231 31.823 -0.023 0.000 0.656 150 V HN 0.529 nan 8.190 nan 0.000 0.451 151 A N 0.202 122.985 122.820 -0.061 0.000 1.917 151 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 151 A C 1.886 179.416 177.584 -0.090 0.000 1.182 151 A CA 2.241 54.210 52.037 -0.114 0.000 0.633 151 A CB -1.142 17.634 19.000 -0.374 0.000 0.819 151 A HN 0.597 nan 8.150 nan 0.000 0.448 152 F N 0.556 120.344 119.950 -0.270 0.000 2.773 152 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 152 F C 2.184 177.902 175.800 -0.136 0.000 1.204 152 F CA 0.794 58.675 58.000 -0.197 0.000 1.454 152 F CB -0.357 38.530 39.000 -0.188 0.000 1.117 152 F HN 0.385 nan 8.300 nan 0.000 0.590 153 Q N -0.410 119.400 119.800 0.015 0.000 2.482 153 Q HA 0.005 4.345 4.340 -0.000 0.000 0.209 153 Q C -0.048 175.921 176.000 -0.050 0.000 0.961 153 Q CA 0.331 56.127 55.803 -0.011 0.000 0.945 153 Q CB -0.049 28.683 28.738 -0.010 0.000 1.012 153 Q HN 0.324 nan 8.270 nan 0.000 0.515 154 N N 1.187 119.831 118.700 -0.093 0.000 2.501 154 N HA 0.131 4.871 4.740 -0.000 0.000 0.245 154 N C -2.261 173.120 175.510 -0.215 0.000 0.974 154 N CA -1.328 51.651 53.050 -0.119 0.000 0.941 154 N CB 1.637 40.065 38.487 -0.100 0.000 1.122 154 N HN -0.106 nan 8.380 nan 0.000 0.507 155 P HA -0.246 nan 4.420 nan 0.000 0.216 155 P C 1.550 178.572 177.300 -0.463 0.000 1.150 155 P CA 1.538 64.352 63.100 -0.476 0.000 0.843 155 P CB 0.326 31.511 31.700 -0.858 0.000 0.787 156 Q N -1.163 118.447 119.800 -0.316 0.000 2.096 156 Q HA -0.256 4.084 4.340 -0.000 0.000 0.208 156 Q C 2.119 177.967 176.000 -0.253 0.000 0.993 156 Q CA 2.406 58.104 55.803 -0.174 0.000 0.862 156 Q CB -1.916 26.788 28.738 -0.058 0.000 0.915 156 Q HN 0.137 nan 8.270 nan 0.000 0.416 157 T N -0.357 114.032 114.554 -0.275 0.000 2.746 157 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 157 T C 1.972 176.403 174.700 -0.449 0.000 1.039 157 T CA 2.131 64.037 62.100 -0.323 0.000 1.142 157 T CB -0.661 67.994 68.868 -0.355 0.000 0.866 157 T HN 0.739 nan 8.240 nan 0.000 0.444 158 H N -0.153 118.578 119.070 -0.565 0.000 2.352 158 H HA 0.034 4.590 4.556 -0.000 0.000 0.299 158 H C 2.685 177.878 175.328 -0.226 0.000 1.097 158 H CA 2.040 57.794 56.048 -0.490 0.000 1.311 158 H CB -1.080 28.493 29.762 -0.315 0.000 1.377 158 H HN 0.431 nan 8.280 nan 0.000 0.504 159 V N 0.637 120.427 119.914 -0.206 0.000 2.358 159 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 159 V C 2.698 178.715 176.094 -0.129 0.000 1.047 159 V CA 1.755 63.971 62.300 -0.139 0.000 1.035 159 V CB -0.529 31.217 31.823 -0.129 0.000 0.658 159 V HN 0.732 nan 8.190 nan 0.000 0.452 160 I N -0.366 120.102 120.570 -0.170 0.000 2.286 160 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 160 I C 2.685 178.829 176.117 0.045 0.000 1.115 160 I CA 1.136 62.386 61.300 -0.082 0.000 1.392 160 I CB -0.332 37.599 38.000 -0.114 0.000 1.065 160 I HN 0.334 nan 8.210 nan 0.000 0.418 161 E N 0.934 121.104 120.200 -0.050 0.000 2.058 161 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 161 E C 1.765 178.412 176.600 0.078 0.000 0.997 161 E CA 1.184 57.582 56.400 -0.004 0.000 0.801 161 E CB -0.389 29.326 29.700 0.025 0.000 0.746 161 E HN 0.524 nan 8.360 nan 0.000 0.450 162 N N 0.738 119.471 118.700 0.055 0.000 2.409 162 N HA -0.092 4.648 4.740 -0.000 0.000 0.179 162 N C 1.890 177.447 175.510 0.078 0.000 1.032 162 N CA 0.166 53.255 53.050 0.065 0.000 0.898 162 N CB -0.131 38.373 38.487 0.030 0.000 0.971 162 N HN 0.082 nan 8.380 nan 0.000 0.441 163 L N 1.549 122.826 121.223 0.091 0.000 1.932 163 L HA -0.180 4.160 4.340 -0.000 0.000 0.217 163 L C 1.809 178.763 176.870 0.140 0.000 1.077 163 L CA 2.008 56.884 54.840 0.060 0.000 0.765 163 L CB -1.147 40.913 42.059 0.002 0.000 0.888 163 L HN 0.131 nan 8.230 nan 0.000 0.433 164 H N -0.190 118.967 119.070 0.145 0.000 2.431 164 H HA -0.157 4.399 4.556 -0.000 0.000 0.297 164 H C 2.122 177.584 175.328 0.224 0.000 1.115 164 H CA 1.549 57.768 56.048 0.285 0.000 1.277 164 H CB -0.904 29.004 29.762 0.244 0.000 1.372 164 H HN 0.549 nan 8.280 nan 0.000 0.516 165 A N 0.688 123.657 122.820 0.249 0.000 1.883 165 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 165 A C 2.493 180.131 177.584 0.089 0.000 1.186 165 A CA 2.015 54.143 52.037 0.152 0.000 0.624 165 A CB -1.020 18.044 19.000 0.106 0.000 0.822 165 A HN 0.495 nan 8.150 nan 0.000 0.444 166 A N -1.176 121.667 122.820 0.039 0.000 2.178 166 A HA 0.491 4.811 4.320 -0.000 0.000 0.211 166 A C 2.205 179.691 177.584 -0.163 0.000 1.157 166 A CA 1.271 53.280 52.037 -0.047 0.000 0.780 166 A CB -0.517 18.456 19.000 -0.045 0.000 0.828 166 A HN 0.881 nan 8.150 nan 0.000 0.476 167 A N -1.170 121.564 122.820 -0.144 0.000 1.935 167 A HA 0.376 4.696 4.320 -0.000 0.000 0.214 167 A C 0.853 177.985 177.584 -0.753 0.000 1.178 167 A CA 0.687 52.462 52.037 -0.436 0.000 0.640 167 A CB -0.206 18.603 19.000 -0.318 0.000 0.825 167 A HN 0.461 nan 8.150 nan 0.000 0.447 168 Y N -3.744 116.508 120.300 -0.081 0.000 2.753 168 Y HA 0.643 5.193 4.550 -0.000 0.000 0.324 168 Y C 1.501 177.369 175.900 -0.053 0.000 1.147 168 Y CA -0.254 57.813 58.100 -0.054 0.000 1.173 168 Y CB 0.952 39.435 38.460 0.038 0.000 1.361 168 Y HN 0.004 nan 8.280 nan 0.000 0.545 169 R N 0.080 120.672 120.500 0.153 0.000 2.470 169 R HA 0.250 4.590 4.340 -0.000 0.000 0.210 169 R C 0.204 176.555 176.300 0.085 0.000 0.873 169 R CA 0.907 57.053 56.100 0.077 0.000 1.015 169 R CB -1.174 29.148 30.300 0.036 0.000 1.348 169 R HN 0.855 nan 8.270 nan 0.000 0.650 170 N N -0.732 118.028 118.700 0.100 0.000 2.909 170 N HA 0.607 5.347 4.740 -0.000 0.000 0.326 170 N C 0.750 176.281 175.510 0.035 0.000 1.368 170 N CA -0.254 52.832 53.050 0.060 0.000 0.797 170 N CB 0.778 39.292 38.487 0.046 0.000 1.150 170 N HN 0.301 nan 8.380 nan 0.000 0.550 171 A N -0.485 122.330 122.820 -0.009 0.000 2.641 171 A HA 0.015 4.335 4.320 -0.000 0.000 0.239 171 A C 1.053 178.546 177.584 -0.152 0.000 1.123 171 A CA 0.698 52.698 52.037 -0.062 0.000 0.822 171 A CB -0.705 18.235 19.000 -0.099 0.000 1.050 171 A HN 1.144 nan 8.150 nan 0.000 0.520 172 L N -1.690 119.413 121.223 -0.199 0.000 4.733 172 L HA -0.296 4.044 4.340 -0.000 0.000 0.388 172 L C 1.713 178.426 176.870 -0.262 0.000 0.773 172 L CA 3.063 57.681 54.840 -0.370 0.000 2.353 172 L CB -1.497 40.145 42.059 -0.694 0.000 1.139 172 L HN 1.437 nan 8.230 nan 0.000 0.635 173 A N -1.023 121.732 122.820 -0.107 0.000 2.251 173 A HA 0.198 4.518 4.320 -0.000 0.000 0.209 173 A C 0.575 178.204 177.584 0.075 0.000 1.187 173 A CA 0.555 52.659 52.037 0.113 0.000 0.823 173 A CB -0.496 18.628 19.000 0.207 0.000 0.846 173 A HN 0.523 nan 8.150 nan 0.000 0.486 174 D N 0.885 121.290 120.400 0.008 0.000 2.341 174 D HA 0.296 4.936 4.640 -0.000 0.000 0.245 174 D C 0.267 176.558 176.300 -0.015 0.000 1.106 174 D CA 0.249 54.256 54.000 0.011 0.000 0.905 174 D CB 1.120 41.922 40.800 0.004 0.000 1.202 174 D HN 0.170 nan 8.370 nan 0.000 0.426 175 S N 0.995 116.697 115.700 0.005 0.000 2.576 175 S HA -0.029 4.441 4.470 -0.000 0.000 0.272 175 S C 1.099 175.654 174.600 -0.075 0.000 1.352 175 S CA -0.535 57.665 58.200 -0.000 0.000 1.021 175 S CB 0.793 64.028 63.200 0.059 0.000 0.887 175 S HN 0.398 nan 8.310 nan 0.000 0.542 176 L N 0.996 122.138 121.223 -0.134 0.000 2.513 176 L HA 0.402 4.742 4.340 -0.000 0.000 0.222 176 L C -0.977 175.586 176.870 -0.511 0.000 1.096 176 L CA 0.904 55.540 54.840 -0.341 0.000 0.857 176 L CB -0.206 41.573 42.059 -0.467 0.000 1.026 176 L HN 0.615 nan 8.230 nan 0.000 0.469 177 Y N -1.075 119.180 120.300 -0.076 0.000 2.361 177 Y HA 0.321 4.871 4.550 -0.000 0.000 0.337 177 Y C 0.372 176.344 175.900 0.120 0.000 0.965 177 Y CA -1.153 56.908 58.100 -0.066 0.000 1.091 177 Y CB 0.939 39.446 38.460 0.078 0.000 1.182 177 Y HN -0.128 nan 8.280 nan 0.000 0.450 178 C N 7.956 127.559 119.300 0.505 0.000 2.211 178 C HA 0.020 4.480 4.460 -0.000 0.000 0.393 178 C C -1.704 173.298 174.990 0.019 0.000 1.531 178 C CA -1.092 58.014 59.018 0.146 0.000 1.465 178 C CB -0.623 27.110 27.740 -0.012 0.000 2.534 178 C HN 0.543 nan 8.230 nan 0.000 0.592 179 P HA 0.097 nan 4.420 nan 0.000 0.269 179 P C 0.566 177.754 177.300 -0.186 0.000 1.209 179 P CA 0.277 63.306 63.100 -0.118 0.000 0.776 179 P CB 0.601 32.199 31.700 -0.169 0.000 0.876 180 D N 1.959 122.296 120.400 -0.104 0.000 2.156 180 D HA -0.239 4.401 4.640 -0.000 0.000 0.190 180 D C 1.892 178.153 176.300 -0.065 0.000 0.998 180 D CA 1.967 55.917 54.000 -0.084 0.000 0.842 180 D CB -1.086 39.692 40.800 -0.037 0.000 0.974 180 D HN 0.608 nan 8.370 nan 0.000 0.447 181 Y N 1.099 121.378 120.300 -0.034 0.000 2.271 181 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 181 Y C 1.866 177.750 175.900 -0.027 0.000 1.189 181 Y CA 1.400 59.485 58.100 -0.027 0.000 1.229 181 Y CB -0.648 37.802 38.460 -0.016 0.000 0.973 181 Y HN -0.124 nan 8.280 nan 0.000 0.537 182 R N 0.217 120.396 120.500 -0.535 0.000 2.317 182 R HA 0.090 4.430 4.340 -0.000 0.000 0.208 182 R C 1.571 177.745 176.300 -0.210 0.000 0.914 182 R CA 0.118 55.974 56.100 -0.408 0.000 1.060 182 R CB 0.037 29.966 30.300 -0.619 0.000 1.015 182 R HN 0.330 nan 8.270 nan 0.000 0.498 183 I N 0.586 121.057 120.570 -0.166 0.000 2.110 183 I HA -0.241 3.929 4.170 -0.000 0.000 0.226 183 I C 2.069 178.119 176.117 -0.112 0.000 1.001 183 I CA 1.935 63.151 61.300 -0.140 0.000 1.309 183 I CB -1.469 36.463 38.000 -0.113 0.000 1.022 183 I HN 0.216 nan 8.210 nan 0.000 0.384 184 G N 0.490 109.247 108.800 -0.073 0.000 3.186 184 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.214 184 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.214 184 G C 1.362 176.238 174.900 -0.040 0.000 1.222 184 G CA 0.070 45.137 45.100 -0.055 0.000 0.921 184 G HN 0.492 nan 8.290 nan 0.000 0.504 185 K N -0.531 119.839 120.400 -0.049 0.000 2.360 185 K HA 0.179 4.499 4.320 -0.000 0.000 0.196 185 K C 0.516 177.095 176.600 -0.036 0.000 1.049 185 K CA -0.277 55.994 56.287 -0.026 0.000 1.049 185 K CB 1.141 33.643 32.500 0.004 0.000 0.881 185 K HN 0.137 nan 8.250 nan 0.000 0.542 186 V N 3.048 122.919 119.914 -0.072 0.000 2.763 186 V HA -0.037 4.083 4.120 -0.000 0.000 0.306 186 V C 0.698 176.764 176.094 -0.047 0.000 1.059 186 V CA 0.165 62.419 62.300 -0.076 0.000 1.138 186 V CB 0.805 32.549 31.823 -0.132 0.000 0.940 186 V HN 0.364 nan 8.190 nan 0.000 0.489 187 T N 0.669 115.212 114.554 -0.017 0.000 2.925 187 T HA 0.285 4.635 4.350 -0.000 0.000 0.285 187 T C 1.143 175.867 174.700 0.040 0.000 1.021 187 T CA 0.079 62.188 62.100 0.014 0.000 1.042 187 T CB 1.628 70.518 68.868 0.036 0.000 1.037 187 T HN 0.547 nan 8.240 nan 0.000 0.481 188 S N 0.778 116.518 115.700 0.067 0.000 2.420 188 S HA -0.124 4.346 4.470 -0.000 0.000 0.237 188 S C 1.761 176.542 174.600 0.302 0.000 1.023 188 S CA 1.500 59.791 58.200 0.152 0.000 0.991 188 S CB -0.776 62.507 63.200 0.138 0.000 0.792 188 S HN 0.581 nan 8.310 nan 0.000 0.488 189 V N 1.564 121.593 119.914 0.191 0.000 2.255 189 V HA -0.104 4.016 4.120 -0.000 0.000 0.243 189 V C 2.295 178.519 176.094 0.216 0.000 1.038 189 V CA 1.916 64.329 62.300 0.189 0.000 1.008 189 V CB -0.849 31.022 31.823 0.080 0.000 0.645 189 V HN 0.513 nan 8.190 nan 0.000 0.449 190 E N 0.127 120.413 120.200 0.142 0.000 2.253 190 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 190 E C 2.122 178.827 176.600 0.174 0.000 1.014 190 E CA 1.352 57.834 56.400 0.137 0.000 0.823 190 E CB -0.260 29.483 29.700 0.072 0.000 0.736 190 E HN 0.528 nan 8.360 nan 0.000 0.478 191 L N -0.395 120.932 121.223 0.174 0.000 2.068 191 L HA -0.143 4.197 4.340 -0.000 0.000 0.204 191 L C 2.278 179.373 176.870 0.374 0.000 1.076 191 L CA 1.199 56.144 54.840 0.175 0.000 0.753 191 L CB -0.441 41.581 42.059 -0.062 0.000 0.910 191 L HN 0.145 nan 8.230 nan 0.000 0.439 192 H N -0.095 119.157 119.070 0.303 0.000 2.267 192 H HA -0.193 4.363 4.556 -0.000 0.000 0.297 192 H C 1.937 177.312 175.328 0.078 0.000 1.080 192 H CA 1.981 58.085 56.048 0.093 0.000 1.278 192 H CB -0.293 29.462 29.762 -0.011 0.000 1.365 192 H HN 0.217 nan 8.280 nan 0.000 0.489 193 D N -0.251 120.293 120.400 0.241 0.000 2.149 193 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 193 D C 1.863 178.265 176.300 0.170 0.000 1.001 193 D CA 1.224 55.319 54.000 0.159 0.000 0.849 193 D CB -0.429 40.457 40.800 0.144 0.000 0.939 193 D HN 0.252 nan 8.370 nan 0.000 0.449 194 F N 0.419 120.422 119.950 0.088 0.000 2.134 194 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 194 F C 2.087 177.931 175.800 0.074 0.000 1.097 194 F CA 0.955 58.999 58.000 0.074 0.000 1.264 194 F CB -0.157 38.797 39.000 -0.075 0.000 1.001 194 F HN -0.164 nan 8.300 nan 0.000 0.479 195 V N 0.511 120.445 119.914 0.034 0.000 2.244 195 V HA -0.319 3.800 4.120 -0.000 0.000 0.244 195 V C 2.298 178.322 176.094 -0.115 0.000 1.042 195 V CA 2.242 64.350 62.300 -0.321 0.000 1.006 195 V CB -0.925 30.664 31.823 -0.389 0.000 0.641 195 V HN 0.344 nan 8.190 nan 0.000 0.446 196 Q N 0.252 120.030 119.800 -0.038 0.000 2.156 196 Q HA -0.269 4.071 4.340 -0.000 0.000 0.211 196 Q C 1.824 177.797 176.000 -0.046 0.000 0.995 196 Q CA 1.858 57.651 55.803 -0.015 0.000 0.877 196 Q CB -0.368 28.375 28.738 0.008 0.000 0.920 196 Q HN 0.624 nan 8.270 nan 0.000 0.416 197 N N -0.980 117.663 118.700 -0.095 0.000 2.412 197 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 197 N C 0.505 175.639 175.510 -0.626 0.000 1.101 197 N CA 0.740 53.602 53.050 -0.314 0.000 0.881 197 N CB 0.369 38.627 38.487 -0.383 0.000 0.969 197 N HN 0.439 nan 8.380 nan 0.000 0.459 198 H N -1.868 117.118 119.070 -0.141 0.000 3.067 198 H HA 0.261 4.817 4.556 -0.000 0.000 0.241 198 H C -0.294 175.156 175.328 0.204 0.000 0.961 198 H CA -0.251 55.755 56.048 -0.070 0.000 1.123 198 H CB 0.060 29.625 29.762 -0.328 0.000 1.448 198 H HN -0.047 nan 8.280 nan 0.000 0.457 199 F N 3.545 123.495 119.950 0.001 0.000 2.659 199 F HA 0.257 4.784 4.527 -0.000 0.000 0.360 199 F C 0.596 176.380 175.800 -0.027 0.000 1.218 199 F CA -0.591 57.407 58.000 -0.004 0.000 1.317 199 F CB -0.866 38.133 39.000 -0.000 0.000 1.697 199 F HN -0.042 nan 8.300 nan 0.000 0.637 200 T N -3.261 111.356 114.554 0.104 0.000 2.824 200 T HA 0.299 4.649 4.350 -0.000 0.000 0.282 200 T C 1.209 175.919 174.700 0.015 0.000 0.993 200 T CA -0.210 61.915 62.100 0.042 0.000 0.967 200 T CB 1.669 70.545 68.868 0.013 0.000 0.960 200 T HN 0.282 nan 8.240 nan 0.000 0.441 201 S N 2.919 118.624 115.700 0.008 0.000 2.422 201 S HA -0.306 4.163 4.470 -0.000 0.000 0.241 201 S C 2.291 176.892 174.600 0.003 0.000 1.076 201 S CA 1.394 59.595 58.200 0.001 0.000 1.066 201 S CB -1.230 61.969 63.200 -0.000 0.000 0.890 201 S HN 1.235 nan 8.310 nan 0.000 0.465 202 A N 2.576 125.399 122.820 0.006 0.000 2.067 202 A HA 0.000 4.320 4.320 -0.000 0.000 0.219 202 A C 2.068 179.661 177.584 0.015 0.000 1.158 202 A CA 1.034 53.077 52.037 0.009 0.000 0.661 202 A CB -0.434 18.572 19.000 0.009 0.000 0.801 202 A HN 0.840 nan 8.150 nan 0.000 0.452 203 R N -1.625 118.884 120.500 0.014 0.000 2.700 203 R HA 0.613 4.953 4.340 -0.000 0.000 0.399 203 R C -0.497 175.805 176.300 0.003 0.000 1.115 203 R CA -0.146 55.966 56.100 0.020 0.000 1.058 203 R CB -0.076 30.245 30.300 0.035 0.000 1.389 203 R HN 0.369 nan 8.270 nan 0.000 0.582 204 M N 0.468 120.067 119.600 -0.002 0.000 2.691 204 M HA 0.739 5.218 4.480 -0.000 0.000 0.293 204 M C -1.339 174.970 176.300 0.014 0.000 1.259 204 M CA -1.054 54.241 55.300 -0.009 0.000 0.827 204 M CB 2.756 35.332 32.600 -0.040 0.000 1.753 204 M HN 0.195 nan 8.290 nan 0.000 0.465 205 A N 1.566 124.411 122.820 0.042 0.000 2.513 205 A HA 0.637 4.957 4.320 -0.000 0.000 0.296 205 A C -1.816 175.817 177.584 0.082 0.000 1.052 205 A CA -0.552 51.507 52.037 0.037 0.000 0.714 205 A CB 1.317 20.308 19.000 -0.015 0.000 1.279 205 A HN 0.728 nan 8.150 nan 0.000 0.397 206 L N 3.970 125.222 121.223 0.048 0.000 2.598 206 L HA 0.464 4.804 4.340 -0.000 0.000 0.241 206 L C -0.275 176.634 176.870 0.065 0.000 1.244 206 L CA -0.012 54.863 54.840 0.058 0.000 1.198 206 L CB -0.202 41.866 42.059 0.015 0.000 1.448 206 L HN 0.475 nan 8.230 nan 0.000 0.406 207 V N 1.524 121.503 119.914 0.108 0.000 3.319 207 V HA 0.797 4.917 4.120 -0.000 0.000 0.303 207 V C 0.973 177.121 176.094 0.089 0.000 1.094 207 V CA 0.167 62.505 62.300 0.064 0.000 1.106 207 V CB 0.933 32.759 31.823 0.005 0.000 1.099 207 V HN 0.797 nan 8.190 nan 0.000 0.476 208 G N 0.936 109.764 108.800 0.047 0.000 2.442 208 G HA2 0.513 4.473 3.960 -0.000 0.000 0.296 208 G HA3 0.513 4.473 3.960 -0.000 0.000 0.296 208 G C -1.749 173.177 174.900 0.043 0.000 1.564 208 G CA -0.817 44.313 45.100 0.050 0.000 0.828 208 G HN 0.575 nan 8.290 nan 0.000 0.571 209 L N 0.205 121.463 121.223 0.059 0.000 2.235 209 L HA 0.731 5.071 4.340 -0.000 0.000 0.260 209 L C 1.575 178.492 176.870 0.079 0.000 1.025 209 L CA -0.440 54.461 54.840 0.100 0.000 0.836 209 L CB 1.709 43.863 42.059 0.158 0.000 1.395 209 L HN 1.418 nan 8.230 nan 0.000 0.443 210 G N 0.969 109.822 108.800 0.087 0.000 2.449 210 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.304 210 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.304 210 G C -0.211 174.688 174.900 -0.002 0.000 0.962 210 G CA 0.759 45.879 45.100 0.034 0.000 0.943 210 G HN 0.605 nan 8.290 nan 0.000 0.514 211 V N -4.122 115.802 119.914 0.016 0.000 3.078 211 V HA 0.874 4.994 4.120 -0.000 0.000 0.311 211 V C 0.261 176.368 176.094 0.022 0.000 1.138 211 V CA -0.593 61.710 62.300 0.004 0.000 1.007 211 V CB 1.854 33.686 31.823 0.015 0.000 1.045 211 V HN 0.678 nan 8.190 nan 0.000 0.432 212 S N 0.100 115.805 115.700 0.008 0.000 2.448 212 S HA 0.266 4.736 4.470 -0.000 0.000 0.279 212 S C 0.911 175.543 174.600 0.053 0.000 1.195 212 S CA 0.124 58.343 58.200 0.032 0.000 1.051 212 S CB -0.321 62.883 63.200 0.006 0.000 0.948 212 S HN 1.092 nan 8.310 nan 0.000 0.493 213 H N 7.136 126.206 119.070 0.000 0.000 2.362 213 H HA -0.084 4.472 4.556 -0.000 0.000 0.294 213 H C -0.881 174.444 175.328 -0.006 0.000 1.113 213 H CA 3.138 59.183 56.048 -0.004 0.000 1.253 213 H CB -0.543 29.217 29.762 -0.003 0.000 1.363 213 H HN 0.556 nan 8.280 nan 0.000 0.494 214 P HA -0.150 nan 4.420 nan 0.000 0.215 214 P C 1.699 178.929 177.300 -0.117 0.000 1.157 214 P CA 1.714 64.758 63.100 -0.094 0.000 0.868 214 P CB -0.089 31.604 31.700 -0.010 0.000 0.788 215 V N 0.137 120.008 119.914 -0.072 0.000 2.469 215 V HA -0.197 3.923 4.120 -0.000 0.000 0.251 215 V C 2.676 178.719 176.094 -0.084 0.000 1.064 215 V CA 1.470 63.732 62.300 -0.063 0.000 1.066 215 V CB -1.312 30.488 31.823 -0.038 0.000 0.667 215 V HN 0.036 nan 8.190 nan 0.000 0.461 216 L N 0.053 121.206 121.223 -0.116 0.000 2.291 216 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 216 L C 2.222 178.996 176.870 -0.160 0.000 1.120 216 L CA 1.828 56.599 54.840 -0.115 0.000 0.799 216 L CB -0.667 41.336 42.059 -0.093 0.000 0.925 216 L HN 0.265 nan 8.230 nan 0.000 0.446 217 K N -0.426 119.833 120.400 -0.235 0.000 2.098 217 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 217 K C 1.926 178.458 176.600 -0.114 0.000 1.051 217 K CA 1.053 57.218 56.287 -0.205 0.000 0.957 217 K CB -0.238 32.106 32.500 -0.260 0.000 0.738 217 K HN 0.450 nan 8.250 nan 0.000 0.447 218 N N 0.575 119.217 118.700 -0.096 0.000 2.513 218 N HA -0.094 4.646 4.740 -0.000 0.000 0.187 218 N C 1.649 177.124 175.510 -0.058 0.000 1.056 218 N CA 1.548 54.559 53.050 -0.065 0.000 0.907 218 N CB -0.476 37.978 38.487 -0.055 0.000 0.954 218 N HN 0.063 nan 8.380 nan 0.000 0.445 219 V N -0.327 119.549 119.914 -0.063 0.000 2.436 219 V HA 0.155 4.275 4.120 -0.000 0.000 0.240 219 V C 2.990 179.055 176.094 -0.049 0.000 1.040 219 V CA 1.055 63.323 62.300 -0.054 0.000 1.052 219 V CB -0.603 31.189 31.823 -0.050 0.000 0.707 219 V HN 0.654 nan 8.190 nan 0.000 0.469 220 A N 1.364 124.152 122.820 -0.053 0.000 2.054 220 A HA -0.328 3.992 4.320 -0.000 0.000 0.223 220 A C 2.031 179.593 177.584 -0.037 0.000 1.169 220 A CA 2.468 54.479 52.037 -0.043 0.000 0.655 220 A CB -0.515 18.458 19.000 -0.046 0.000 0.812 220 A HN 0.839 nan 8.150 nan 0.000 0.462 221 E N 0.093 120.269 120.200 -0.039 0.000 2.051 221 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 221 E C 1.904 178.485 176.600 -0.030 0.000 0.991 221 E CA 1.680 58.061 56.400 -0.032 0.000 0.799 221 E CB -0.654 29.027 29.700 -0.033 0.000 0.748 221 E HN 0.743 nan 8.360 nan 0.000 0.449 222 Q N 0.193 119.972 119.800 -0.035 0.000 2.119 222 Q HA 0.049 4.389 4.340 -0.000 0.000 0.201 222 Q C 1.109 177.089 176.000 -0.033 0.000 0.972 222 Q CA 0.655 56.437 55.803 -0.035 0.000 0.847 222 Q CB -0.112 28.601 28.738 -0.042 0.000 0.903 222 Q HN 0.334 nan 8.270 nan 0.000 0.433 223 L N 2.467 123.670 121.223 -0.034 0.000 2.436 223 L HA 0.082 4.422 4.340 -0.000 0.000 0.244 223 L C -1.090 175.765 176.870 -0.024 0.000 1.396 223 L CA -0.173 54.648 54.840 -0.031 0.000 1.217 223 L CB 0.033 42.073 42.059 -0.032 0.000 1.420 223 L HN 0.081 nan 8.230 nan 0.000 0.434 224 L N 2.203 123.413 121.223 -0.022 0.000 2.573 224 L HA 0.332 4.672 4.340 -0.000 0.000 0.260 224 L C -0.504 176.357 176.870 -0.015 0.000 0.997 224 L CA 0.192 55.022 54.840 -0.016 0.000 0.890 224 L CB 1.189 43.238 42.059 -0.017 0.000 1.179 224 L HN 0.329 nan 8.230 nan 0.000 0.439 225 N N 3.512 122.206 118.700 -0.011 0.000 2.129 225 N HA 0.412 5.152 4.740 -0.000 0.000 0.222 225 N C -0.595 174.911 175.510 -0.006 0.000 1.303 225 N CA 0.085 53.129 53.050 -0.011 0.000 0.897 225 N CB 0.786 39.264 38.487 -0.015 0.000 1.093 225 N HN 0.474 nan 8.380 nan 0.000 0.501 226 I N 1.287 121.857 120.570 0.001 0.000 2.649 226 I HA 0.217 4.387 4.170 -0.000 0.000 0.275 226 I C 0.524 176.642 176.117 0.002 0.000 1.180 226 I CA -0.426 60.876 61.300 0.003 0.000 1.049 226 I CB 1.347 39.356 38.000 0.016 0.000 1.234 226 I HN -0.049 nan 8.210 nan 0.000 0.506 227 R N 2.656 123.154 120.500 -0.003 0.000 2.200 227 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 227 R C 2.245 178.543 176.300 -0.005 0.000 1.127 227 R CA 1.253 57.351 56.100 -0.004 0.000 0.989 227 R CB -0.195 30.102 30.300 -0.005 0.000 0.869 227 R HN 0.885 nan 8.270 nan 0.000 0.459 228 G N 0.709 109.504 108.800 -0.007 0.000 3.566 228 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.282 228 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.282 228 G C 0.986 175.877 174.900 -0.014 0.000 1.220 228 G CA 1.883 46.974 45.100 -0.014 0.000 1.031 228 G HN 0.738 nan 8.290 nan 0.000 0.771 229 G N -1.573 107.223 108.800 -0.007 0.000 2.536 229 G HA2 0.046 4.006 3.960 -0.000 0.000 0.277 229 G HA3 0.046 4.006 3.960 -0.000 0.000 0.277 229 G C 1.530 176.427 174.900 -0.004 0.000 1.155 229 G CA 2.394 47.492 45.100 -0.004 0.000 0.960 229 G HN 1.668 nan 8.290 nan 0.000 0.544 230 L N -0.345 120.875 121.223 -0.005 0.000 2.109 230 L HA 0.531 4.871 4.340 -0.000 0.000 0.207 230 L C 3.491 180.345 176.870 -0.026 0.000 1.086 230 L CA 3.103 57.943 54.840 -0.000 0.000 0.760 230 L CB -1.804 40.258 42.059 0.005 0.000 0.910 230 L HN 2.984 nan 8.230 nan 0.000 0.437 231 G N -0.863 107.906 108.800 -0.052 0.000 2.543 231 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.286 231 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.286 231 G C 0.355 175.180 174.900 -0.125 0.000 1.153 231 G CA 0.776 45.809 45.100 -0.112 0.000 0.968 231 G HN 1.182 nan 8.290 nan 0.000 0.544 232 L N 1.672 122.757 121.223 -0.230 0.000 2.767 232 L HA 0.683 5.023 4.340 -0.000 0.000 0.157 232 L C 1.157 178.030 176.870 0.005 0.000 1.227 232 L CA 1.492 56.251 54.840 -0.135 0.000 1.557 232 L CB 0.657 42.578 42.059 -0.230 0.000 2.290 232 L HN 2.069 nan 8.230 nan 0.000 0.495 233 S N -1.291 114.446 115.700 0.060 0.000 2.484 233 S HA 0.396 4.866 4.470 -0.000 0.000 0.330 233 S C -0.520 173.949 174.600 -0.218 0.000 0.882 233 S CA -0.544 57.636 58.200 -0.033 0.000 0.851 233 S CB -0.836 62.349 63.200 -0.026 0.000 1.146 233 S HN 0.907 nan 8.310 nan 0.000 0.466 234 G N 1.854 110.287 108.800 -0.612 0.000 2.313 234 G HA2 0.535 4.495 3.960 -0.000 0.000 0.250 234 G HA3 0.535 4.495 3.960 -0.000 0.000 0.250 234 G C 0.589 175.326 174.900 -0.271 0.000 1.281 234 G CA -0.122 44.608 45.100 -0.616 0.000 0.917 234 G HN 1.608 nan 8.290 nan 0.000 0.501 235 A N 3.282 126.003 122.820 -0.164 0.000 2.511 235 A HA 0.300 4.620 4.320 -0.000 0.000 0.242 235 A C 0.876 178.418 177.584 -0.071 0.000 1.069 235 A CA -0.123 51.864 52.037 -0.083 0.000 0.763 235 A CB 0.216 19.191 19.000 -0.041 0.000 1.001 235 A HN 0.726 nan 8.150 nan 0.000 0.498 236 K N 1.561 121.941 120.400 -0.034 0.000 2.504 236 K HA 0.143 4.463 4.320 -0.000 0.000 0.278 236 K C 0.480 177.096 176.600 0.027 0.000 1.025 236 K CA 0.587 56.872 56.287 -0.003 0.000 1.093 236 K CB 0.166 32.677 32.500 0.019 0.000 0.873 236 K HN 0.736 nan 8.250 nan 0.000 0.483 237 A N 5.033 127.876 122.820 0.040 0.000 2.473 237 A HA 0.006 4.326 4.320 -0.000 0.000 0.282 237 A C -0.145 177.588 177.584 0.248 0.000 1.163 237 A CA -0.001 52.104 52.037 0.115 0.000 0.827 237 A CB -0.160 18.869 19.000 0.048 0.000 1.098 237 A HN 0.612 nan 8.150 nan 0.000 0.515 238 K N 1.777 122.305 120.400 0.214 0.000 2.270 238 K HA 0.249 4.569 4.320 -0.000 0.000 0.276 238 K C -0.580 176.173 176.600 0.256 0.000 1.023 238 K CA -0.088 56.316 56.287 0.195 0.000 0.955 238 K CB 0.837 33.407 32.500 0.117 0.000 0.975 238 K HN 0.688 nan 8.250 nan 0.000 0.471 239 Y N 1.926 122.263 120.300 0.062 0.000 2.354 239 Y HA 0.338 4.888 4.550 -0.000 0.000 0.322 239 Y C -0.146 175.720 175.900 -0.056 0.000 1.253 239 Y CA -0.492 57.572 58.100 -0.060 0.000 1.272 239 Y CB 1.211 39.621 38.460 -0.083 0.000 1.255 239 Y HN 0.592 nan 8.280 nan 0.000 0.500 240 R N 1.651 121.459 120.500 -1.154 0.000 2.643 240 R HA 0.498 4.838 4.340 -0.000 0.000 0.269 240 R C -1.220 174.557 176.300 -0.873 0.000 1.037 240 R CA -0.646 55.031 56.100 -0.705 0.000 0.894 240 R CB 1.384 31.466 30.300 -0.365 0.000 1.238 240 R HN 0.938 nan 8.270 nan 0.000 0.459 241 G N 1.549 110.134 108.800 -0.359 0.000 3.714 241 G HA2 0.365 4.325 3.960 -0.000 0.000 0.276 241 G HA3 0.365 4.325 3.960 -0.000 0.000 0.276 241 G C 0.046 174.862 174.900 -0.140 0.000 1.058 241 G CA -0.181 44.806 45.100 -0.189 0.000 1.700 241 G HN 0.675 nan 8.290 nan 0.000 0.605 242 G N 0.064 108.754 108.800 -0.183 0.000 2.562 242 G HA2 0.553 4.513 3.960 -0.000 0.000 0.275 242 G HA3 0.553 4.513 3.960 -0.000 0.000 0.275 242 G C -0.472 174.396 174.900 -0.053 0.000 1.196 242 G CA -0.494 44.545 45.100 -0.101 0.000 0.908 242 G HN 0.429 nan 8.290 nan 0.000 0.524 243 E N -0.385 119.802 120.200 -0.022 0.000 2.539 243 E HA 0.248 4.598 4.350 -0.000 0.000 0.332 243 E C -1.032 175.573 176.600 0.008 0.000 0.910 243 E CA -0.545 55.853 56.400 -0.004 0.000 0.785 243 E CB 0.822 30.542 29.700 0.033 0.000 1.406 243 E HN 0.629 nan 8.360 nan 0.000 0.391 244 I N 0.781 121.346 120.570 -0.009 0.000 2.465 244 I HA 0.654 4.824 4.170 -0.000 0.000 0.291 244 I C -0.758 175.343 176.117 -0.027 0.000 1.014 244 I CA -1.104 60.194 61.300 -0.002 0.000 1.093 244 I CB 1.765 39.771 38.000 0.009 0.000 1.267 244 I HN 0.267 nan 8.210 nan 0.000 0.431 245 R N 3.946 124.426 120.500 -0.033 0.000 2.445 245 R HA 0.421 4.761 4.340 -0.000 0.000 0.308 245 R C -0.782 175.501 176.300 -0.029 0.000 0.961 245 R CA -0.622 55.439 56.100 -0.065 0.000 0.862 245 R CB 2.245 32.466 30.300 -0.132 0.000 1.144 245 R HN 0.649 nan 8.270 nan 0.000 0.447 246 E N 2.601 122.787 120.200 -0.024 0.000 2.070 246 E HA 0.036 4.386 4.350 -0.000 0.000 0.261 246 E C -0.690 175.908 176.600 -0.003 0.000 0.926 246 E CA -0.534 55.863 56.400 -0.005 0.000 0.760 246 E CB 0.827 30.529 29.700 0.003 0.000 1.133 246 E HN 0.257 nan 8.360 nan 0.000 0.420 247 Q N 2.749 122.550 119.800 0.002 0.000 2.286 247 Q HA 0.050 4.390 4.340 -0.000 0.000 0.267 247 Q C 0.069 176.077 176.000 0.014 0.000 1.028 247 Q CA 0.636 56.444 55.803 0.008 0.000 0.901 247 Q CB 0.410 29.155 28.738 0.012 0.000 1.183 247 Q HN 0.826 nan 8.270 nan 0.000 0.392 248 N N 0.689 119.399 118.700 0.017 0.000 1.899 248 N HA 0.008 4.748 4.740 -0.000 0.000 0.223 248 N C 0.459 175.982 175.510 0.022 0.000 1.411 248 N CA 0.037 53.097 53.050 0.017 0.000 0.737 248 N CB 0.224 38.718 38.487 0.012 0.000 1.100 248 N HN 0.566 nan 8.380 nan 0.000 0.527 249 G N 1.770 110.588 108.800 0.031 0.000 2.334 249 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.279 249 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.279 249 G C 0.033 174.952 174.900 0.032 0.000 0.918 249 G CA 0.763 45.886 45.100 0.038 0.000 1.314 249 G HN 0.526 nan 8.290 nan 0.000 0.463 250 D N -0.265 120.155 120.400 0.032 0.000 2.340 250 D HA 0.143 4.783 4.640 -0.000 0.000 0.220 250 D C 1.626 177.946 176.300 0.033 0.000 1.039 250 D CA 1.177 55.194 54.000 0.028 0.000 0.866 250 D CB 0.322 41.135 40.800 0.023 0.000 0.913 250 D HN 0.697 nan 8.370 nan 0.000 0.523 251 S N -0.904 114.818 115.700 0.037 0.000 2.372 251 S HA -0.177 4.293 4.470 -0.000 0.000 0.257 251 S C -0.044 174.574 174.600 0.030 0.000 1.282 251 S CA 0.851 59.068 58.200 0.028 0.000 1.305 251 S CB -1.785 61.427 63.200 0.020 0.000 1.614 251 S HN 0.439 nan 8.310 nan 0.000 0.631 252 L N -0.970 120.285 121.223 0.054 0.000 2.588 252 L HA 0.874 5.214 4.340 -0.000 0.000 0.263 252 L C -0.438 176.502 176.870 0.117 0.000 0.935 252 L CA -1.394 53.486 54.840 0.066 0.000 0.891 252 L CB 1.897 43.992 42.059 0.059 0.000 1.318 252 L HN -0.076 nan 8.230 nan 0.000 0.409 253 V N 1.635 121.605 119.914 0.093 0.000 2.614 253 V HA 0.241 4.361 4.120 -0.000 0.000 0.291 253 V C -0.382 175.779 176.094 0.112 0.000 1.049 253 V CA 0.159 62.525 62.300 0.110 0.000 1.038 253 V CB 0.733 32.599 31.823 0.070 0.000 0.980 253 V HN 0.664 nan 8.190 nan 0.000 0.481 254 H N 2.847 121.922 119.070 0.008 0.000 2.638 254 H HA 0.700 5.256 4.556 -0.000 0.000 0.303 254 H C 0.084 175.409 175.328 -0.006 0.000 1.034 254 H CA 0.172 56.226 56.048 0.009 0.000 1.225 254 H CB 1.296 31.047 29.762 -0.018 0.000 1.394 254 H HN 0.867 nan 8.280 nan 0.000 0.477 255 A N 2.792 125.655 122.820 0.072 0.000 2.330 255 A HA 0.823 5.143 4.320 -0.000 0.000 0.313 255 A C -0.783 176.807 177.584 0.011 0.000 1.124 255 A CA -0.451 51.606 52.037 0.033 0.000 0.774 255 A CB 0.793 19.820 19.000 0.044 0.000 1.198 255 A HN 0.707 nan 8.150 nan 0.000 0.465 256 A N 2.668 125.436 122.820 -0.087 0.000 2.356 256 A HA 0.797 5.117 4.320 -0.000 0.000 0.310 256 A C -0.817 176.587 177.584 -0.299 0.000 1.075 256 A CA -0.360 51.555 52.037 -0.203 0.000 0.746 256 A CB 0.745 19.589 19.000 -0.261 0.000 1.221 256 A HN 0.753 nan 8.150 nan 0.000 0.443 257 I N 2.499 122.746 120.570 -0.537 0.000 2.465 257 I HA 0.577 4.747 4.170 -0.000 0.000 0.291 257 I C -0.739 175.272 176.117 -0.177 0.000 1.014 257 I CA -0.796 60.270 61.300 -0.389 0.000 1.093 257 I CB 2.099 39.824 38.000 -0.458 0.000 1.267 257 I HN 0.400 nan 8.210 nan 0.000 0.431 258 V N 3.813 123.739 119.914 0.020 0.000 3.160 258 V HA 0.882 5.002 4.120 -0.000 0.000 0.310 258 V C -0.656 175.537 176.094 0.166 0.000 1.181 258 V CA -0.744 61.674 62.300 0.197 0.000 1.047 258 V CB 2.161 34.099 31.823 0.191 0.000 1.068 258 V HN 0.815 nan 8.190 nan 0.000 0.441 259 A N 0.918 123.860 122.820 0.203 0.000 2.437 259 A HA 0.719 5.039 4.320 -0.000 0.000 0.293 259 A C -0.629 176.915 177.584 -0.066 0.000 1.038 259 A CA -0.546 51.506 52.037 0.024 0.000 0.708 259 A CB 1.391 20.332 19.000 -0.099 0.000 1.251 259 A HN 0.972 nan 8.150 nan 0.000 0.409 260 E N 1.813 121.720 120.200 -0.488 0.000 2.812 260 E HA 0.290 4.640 4.350 -0.000 0.000 0.276 260 E C 0.382 176.838 176.600 -0.241 0.000 0.946 260 E CA 1.757 57.796 56.400 -0.601 0.000 0.971 260 E CB 0.069 29.039 29.700 -1.216 0.000 0.960 260 E HN 1.837 nan 8.360 nan 0.000 0.479 261 S N 1.682 117.279 115.700 -0.172 0.000 2.636 261 S HA 0.567 5.037 4.470 -0.000 0.000 0.268 261 S C -0.291 174.137 174.600 -0.286 0.000 1.021 261 S CA -0.369 57.702 58.200 -0.214 0.000 0.952 261 S CB -0.776 62.257 63.200 -0.280 0.000 1.216 261 S HN 2.011 nan 8.310 nan 0.000 0.472 262 A N -0.138 122.389 122.820 -0.488 0.000 6.890 262 A HA 0.395 4.715 4.320 -0.000 0.000 0.242 262 A C 0.389 177.887 177.584 -0.143 0.000 2.184 262 A CA 0.686 52.488 52.037 -0.393 0.000 0.705 262 A CB -2.056 16.680 19.000 -0.440 0.000 0.983 262 A HN 3.091 nan 8.150 nan 0.000 0.384 263 A N -1.020 121.746 122.820 -0.089 0.000 1.853 263 A HA 0.571 4.891 4.320 -0.000 0.000 0.260 263 A C -0.287 177.298 177.584 0.000 0.000 0.973 263 A CA -0.062 51.970 52.037 -0.008 0.000 0.811 263 A CB -0.834 18.173 19.000 0.011 0.000 0.795 263 A HN 2.394 nan 8.150 nan 0.000 0.331 264 I N 1.106 121.690 120.570 0.022 0.000 2.752 264 I HA 0.448 4.618 4.170 -0.000 0.000 0.286 264 I C 1.252 177.386 176.117 0.028 0.000 1.180 264 I CA 1.281 62.596 61.300 0.027 0.000 1.404 264 I CB -0.075 37.955 38.000 0.051 0.000 1.389 264 I HN 1.994 nan 8.210 nan 0.000 0.549 265 G N 3.896 112.705 108.800 0.016 0.000 2.232 265 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.226 265 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.226 265 G C 0.507 175.412 174.900 0.009 0.000 0.996 265 G CA -0.284 44.823 45.100 0.013 0.000 0.626 265 G HN 1.180 nan 8.290 nan 0.000 0.509 266 G N 0.213 109.020 108.800 0.011 0.000 2.370 266 G HA2 0.650 4.610 3.960 -0.000 0.000 0.272 266 G HA3 0.650 4.610 3.960 -0.000 0.000 0.272 266 G C 1.226 176.134 174.900 0.013 0.000 1.208 266 G CA 0.974 46.081 45.100 0.012 0.000 0.856 266 G HN 1.294 nan 8.290 nan 0.000 0.500 267 A N 2.038 124.865 122.820 0.012 0.000 1.903 267 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 267 A C 1.990 179.592 177.584 0.029 0.000 1.191 267 A CA 2.068 54.111 52.037 0.011 0.000 0.638 267 A CB -0.570 18.433 19.000 0.004 0.000 0.823 267 A HN 0.757 nan 8.150 nan 0.000 0.451 268 E N -0.238 119.992 120.200 0.051 0.000 2.339 268 E HA -0.168 4.182 4.350 -0.000 0.000 0.201 268 E C 1.902 178.619 176.600 0.196 0.000 1.015 268 E CA 0.790 57.258 56.400 0.112 0.000 0.841 268 E CB -0.290 29.488 29.700 0.130 0.000 0.754 268 E HN 0.629 nan 8.360 nan 0.000 0.508 269 A N 1.873 124.757 122.820 0.106 0.000 1.827 269 A HA -0.284 4.036 4.320 -0.000 0.000 0.215 269 A C 1.849 179.516 177.584 0.139 0.000 1.212 269 A CA 1.783 53.880 52.037 0.099 0.000 0.624 269 A CB -0.939 18.075 19.000 0.025 0.000 0.853 269 A HN 0.365 nan 8.150 nan 0.000 0.450 270 N N 0.544 119.277 118.700 0.054 0.000 2.187 270 N HA -0.298 4.442 4.740 -0.000 0.000 0.194 270 N C 1.814 177.336 175.510 0.021 0.000 1.002 270 N CA 1.687 54.748 53.050 0.018 0.000 0.882 270 N CB -0.620 37.852 38.487 -0.024 0.000 1.003 270 N HN 0.571 nan 8.380 nan 0.000 0.443 271 A N 1.288 124.122 122.820 0.024 0.000 1.849 271 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 271 A C 2.035 179.522 177.584 -0.162 0.000 1.202 271 A CA 1.588 53.562 52.037 -0.105 0.000 0.629 271 A CB -1.118 17.764 19.000 -0.197 0.000 0.834 271 A HN 0.201 nan 8.150 nan 0.000 0.447 272 F N 0.937 120.784 119.950 -0.171 0.000 2.126 272 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 272 F C 2.854 178.664 175.800 0.016 0.000 1.096 272 F CA 1.486 59.351 58.000 -0.225 0.000 1.255 272 F CB -0.897 37.888 39.000 -0.358 0.000 0.997 272 F HN 0.136 nan 8.300 nan 0.000 0.479 273 S N 0.079 115.907 115.700 0.213 0.000 2.380 273 S HA -0.180 4.290 4.470 -0.000 0.000 0.229 273 S C 2.205 176.875 174.600 0.116 0.000 1.043 273 S CA 1.560 59.855 58.200 0.160 0.000 1.038 273 S CB -0.701 62.532 63.200 0.054 0.000 0.872 273 S HN 0.198 nan 8.310 nan 0.000 0.456 274 V N 1.126 121.061 119.914 0.034 0.000 2.871 274 V HA 0.029 4.149 4.120 -0.000 0.000 0.256 274 V C 1.970 178.097 176.094 0.055 0.000 1.082 274 V CA 0.970 63.270 62.300 -0.001 0.000 1.105 274 V CB -0.423 31.370 31.823 -0.050 0.000 0.713 274 V HN 0.366 nan 8.190 nan 0.000 0.473 275 L N 0.175 121.427 121.223 0.047 0.000 2.209 275 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 275 L C 2.315 179.335 176.870 0.250 0.000 1.094 275 L CA 1.736 56.615 54.840 0.065 0.000 0.790 275 L CB -0.764 41.227 42.059 -0.114 0.000 0.932 275 L HN 0.352 nan 8.230 nan 0.000 0.447 276 Q N -1.283 118.738 119.800 0.369 0.000 2.181 276 Q HA -0.260 4.080 4.340 -0.000 0.000 0.205 276 Q C 1.520 177.653 176.000 0.222 0.000 0.980 276 Q CA 2.097 58.127 55.803 0.378 0.000 0.862 276 Q CB -0.016 28.980 28.738 0.429 0.000 0.905 276 Q HN 0.670 nan 8.270 nan 0.000 0.429 277 H N -1.498 117.619 119.070 0.078 0.000 2.506 277 H HA 0.135 4.691 4.556 -0.000 0.000 0.289 277 H C 1.857 177.199 175.328 0.022 0.000 1.009 277 H CA 0.941 57.012 56.048 0.038 0.000 1.303 277 H CB -0.111 29.669 29.762 0.030 0.000 1.453 277 H HN 0.227 nan 8.280 nan 0.000 0.526 278 V N 0.859 120.861 119.914 0.147 0.000 2.568 278 V HA -0.093 4.027 4.120 -0.000 0.000 0.253 278 V C 1.047 177.166 176.094 0.042 0.000 1.072 278 V CA 1.590 63.930 62.300 0.066 0.000 1.084 278 V CB -0.541 31.301 31.823 0.032 0.000 0.676 278 V HN 0.108 nan 8.190 nan 0.000 0.469 279 L N -1.408 119.847 121.223 0.054 0.000 2.352 279 L HA 0.756 5.095 4.340 -0.000 0.000 0.269 279 L C 1.072 177.926 176.870 -0.026 0.000 1.034 279 L CA 0.406 55.253 54.840 0.011 0.000 0.806 279 L CB 1.645 43.721 42.059 0.027 0.000 1.244 279 L HN 0.479 nan 8.230 nan 0.000 0.447 280 G N 0.489 109.259 108.800 -0.051 0.000 2.475 280 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.198 280 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.198 280 G C 0.879 175.772 174.900 -0.012 0.000 2.226 280 G CA 0.441 45.504 45.100 -0.062 0.000 1.626 280 G HN 0.762 nan 8.290 nan 0.000 0.534 281 A N 0.992 123.801 122.820 -0.019 0.000 1.948 281 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 281 A C 2.068 179.670 177.584 0.031 0.000 1.177 281 A CA 2.508 54.543 52.037 -0.002 0.000 0.636 281 A CB -0.731 18.256 19.000 -0.022 0.000 0.815 281 A HN 0.543 nan 8.150 nan 0.000 0.449 282 N N -0.066 118.637 118.700 0.005 0.000 2.022 282 N HA -0.113 4.627 4.740 -0.000 0.000 0.194 282 N C -0.620 174.893 175.510 0.004 0.000 1.057 282 N CA 1.995 55.044 53.050 -0.001 0.000 0.849 282 N CB -1.487 36.985 38.487 -0.024 0.000 1.044 282 N HN 0.388 nan 8.380 nan 0.000 0.424 283 P HA -0.179 nan 4.420 nan 0.000 0.215 283 P C 1.411 178.737 177.300 0.044 0.000 1.153 283 P CA 1.549 64.613 63.100 -0.060 0.000 0.853 283 P CB -0.176 31.417 31.700 -0.180 0.000 0.788 284 H N 1.079 120.136 119.070 -0.021 0.000 2.253 284 H HA -0.049 4.507 4.556 -0.000 0.000 0.296 284 H C 0.419 175.855 175.328 0.180 0.000 1.074 284 H CA 1.159 57.252 56.048 0.074 0.000 1.263 284 H CB -0.706 29.040 29.762 -0.027 0.000 1.363 284 H HN -0.166 nan 8.280 nan 0.000 0.489 285 V N 2.097 122.181 119.914 0.285 0.000 2.070 285 V HA 0.280 4.400 4.120 -0.000 0.000 0.239 285 V C 0.436 176.592 176.094 0.103 0.000 1.472 285 V CA 1.126 63.531 62.300 0.175 0.000 1.453 285 V CB -1.128 30.745 31.823 0.084 0.000 1.503 285 V HN 0.635 nan 8.190 nan 0.000 0.501 286 K N 1.463 121.926 120.400 0.105 0.000 2.265 286 K HA 0.685 5.005 4.320 -0.000 0.000 0.320 286 K C -0.428 176.185 176.600 0.023 0.000 1.661 286 K CA 0.208 56.520 56.287 0.041 0.000 0.952 286 K CB 0.121 32.637 32.500 0.027 0.000 1.415 286 K HN 1.090 nan 8.250 nan 0.000 0.449 287 R N -0.966 119.491 120.500 -0.071 0.000 2.979 287 R HA 0.899 5.238 4.340 -0.000 0.000 0.286 287 R C 0.067 176.195 176.300 -0.287 0.000 0.972 287 R CA 0.102 56.074 56.100 -0.213 0.000 0.828 287 R CB -0.421 29.622 30.300 -0.429 0.000 1.368 287 R HN 1.913 nan 8.270 nan 0.000 0.511 306 P HA 0.413 nan 4.420 nan 0.000 0.265 306 P C -1.079 176.287 177.300 0.110 0.000 1.222 306 P CA 0.516 63.600 63.100 -0.027 0.000 0.767 306 P CB -0.685 30.987 31.700 -0.046 0.000 0.801 307 F N 0.638 120.524 119.950 -0.107 0.000 3.578 307 F HA 0.790 5.317 4.527 0.000 0.000 0.328 307 F C -1.822 173.892 175.800 -0.144 0.000 1.214 307 F CA -1.619 56.307 58.000 -0.124 0.000 0.929 307 F CB 0.174 39.093 39.000 -0.135 0.000 1.612 307 F HN 0.246 nan 8.300 nan 0.000 0.524 308 D N -0.350 119.568 120.400 -0.803 0.000 2.787 308 D HA 0.572 5.212 4.640 -0.000 0.000 0.215 308 D C -1.857 173.910 176.300 -0.889 0.000 1.246 308 D CA 0.154 53.615 54.000 -0.898 0.000 0.798 308 D CB 2.055 42.638 40.800 -0.362 0.000 1.649 308 D HN 1.316 nan 8.370 nan 0.000 0.507 309 V N 0.146 119.555 119.914 -0.842 0.000 2.891 309 V HA 0.722 4.842 4.120 -0.000 0.000 0.304 309 V C -0.602 175.271 176.094 -0.368 0.000 1.171 309 V CA -0.456 61.531 62.300 -0.521 0.000 0.943 309 V CB 2.287 33.805 31.823 -0.509 0.000 1.037 309 V HN 0.442 nan 8.190 nan 0.000 0.427 310 S N 1.427 116.929 115.700 -0.330 0.000 2.651 310 S HA 0.937 5.407 4.470 -0.000 0.000 0.279 310 S C -0.160 174.323 174.600 -0.195 0.000 1.148 310 S CA -0.139 57.877 58.200 -0.307 0.000 0.837 310 S CB 1.867 64.788 63.200 -0.465 0.000 1.138 310 S HN 2.185 nan 8.310 nan 0.000 0.478 311 A N 1.286 124.013 122.820 -0.156 0.000 2.276 311 A HA 0.679 4.999 4.320 -0.000 0.000 0.300 311 A C -0.762 176.780 177.584 -0.069 0.000 1.235 311 A CA -0.264 51.699 52.037 -0.124 0.000 0.867 311 A CB -0.301 18.613 19.000 -0.143 0.000 1.137 311 A HN 0.599 nan 8.150 nan 0.000 0.527 312 F N 2.710 122.551 119.950 -0.182 0.000 2.371 312 F HA 0.577 5.104 4.527 -0.000 0.000 0.329 312 F C 0.149 175.891 175.800 -0.097 0.000 1.107 312 F CA -0.482 57.513 58.000 -0.008 0.000 1.137 312 F CB 1.132 40.206 39.000 0.124 0.000 1.214 312 F HN 0.614 nan 8.300 nan 0.000 0.536 313 N N 3.299 121.440 118.700 -0.931 0.000 2.905 313 N HA 0.488 5.228 4.740 -0.000 0.000 0.255 313 N C -2.159 172.973 175.510 -0.630 0.000 1.199 313 N CA -0.175 52.544 53.050 -0.552 0.000 0.911 313 N CB 1.041 39.535 38.487 0.012 0.000 1.550 313 N HN 0.818 nan 8.380 nan 0.000 0.599 314 A N 2.032 124.452 122.820 -0.667 0.000 2.318 314 A HA 0.724 5.044 4.320 -0.000 0.000 0.317 314 A C -0.690 176.603 177.584 -0.485 0.000 1.159 314 A CA -0.554 51.151 52.037 -0.553 0.000 0.799 314 A CB 1.049 19.701 19.000 -0.580 0.000 1.194 314 A HN 0.455 nan 8.150 nan 0.000 0.479 315 S N 2.263 117.732 115.700 -0.384 0.000 2.532 315 S HA 0.519 4.989 4.470 -0.000 0.000 0.318 315 S C -0.872 173.626 174.600 -0.170 0.000 1.083 315 S CA -0.183 57.872 58.200 -0.241 0.000 1.131 315 S CB -0.216 62.910 63.200 -0.122 0.000 0.973 315 S HN 0.537 nan 8.310 nan 0.000 0.468 316 Y N 1.553 121.876 120.300 0.038 0.000 2.418 316 Y HA 0.294 4.844 4.550 -0.000 0.000 0.327 316 Y C 2.121 178.047 175.900 0.042 0.000 1.309 316 Y CA -1.180 56.951 58.100 0.052 0.000 1.423 316 Y CB 0.191 38.689 38.460 0.063 0.000 1.423 316 Y HN 0.632 nan 8.280 nan 0.000 0.532 317 S N 0.421 116.275 115.700 0.256 0.000 2.462 317 S HA -0.241 4.229 4.470 -0.000 0.000 0.219 317 S C 0.784 175.453 174.600 0.114 0.000 1.048 317 S CA 1.740 60.026 58.200 0.143 0.000 1.119 317 S CB -0.949 62.317 63.200 0.110 0.000 1.100 317 S HN 0.738 nan 8.310 nan 0.000 0.411 318 D N 0.296 120.755 120.400 0.098 0.000 2.561 318 D HA 0.600 5.240 4.640 -0.000 0.000 0.232 318 D C 0.177 176.550 176.300 0.121 0.000 1.198 318 D CA -0.053 53.997 54.000 0.084 0.000 0.826 318 D CB 0.295 41.126 40.800 0.051 0.000 0.992 318 D HN 0.357 nan 8.370 nan 0.000 0.490 319 S N -2.111 113.690 115.700 0.169 0.000 2.636 319 S HA 0.682 5.152 4.470 -0.000 0.000 0.266 319 S C -1.187 173.553 174.600 0.232 0.000 1.116 319 S CA -0.403 57.925 58.200 0.214 0.000 0.893 319 S CB 0.700 64.111 63.200 0.352 0.000 1.171 319 S HN 0.701 nan 8.310 nan 0.000 0.482 320 G N -0.118 108.814 108.800 0.219 0.000 2.430 320 G HA2 0.591 4.551 3.960 -0.000 0.000 0.300 320 G HA3 0.591 4.551 3.960 -0.000 0.000 0.300 320 G C -2.420 172.519 174.900 0.065 0.000 1.330 320 G CA -0.478 44.661 45.100 0.066 0.000 0.813 320 G HN 0.902 nan 8.290 nan 0.000 0.487 321 L N -0.719 120.477 121.223 -0.046 0.000 2.424 321 L HA 0.811 5.151 4.340 -0.000 0.000 0.258 321 L C -1.530 175.396 176.870 0.094 0.000 0.995 321 L CA -0.770 54.111 54.840 0.068 0.000 0.821 321 L CB 2.699 44.877 42.059 0.198 0.000 1.383 321 L HN 0.593 nan 8.230 nan 0.000 0.410 322 F N -0.065 119.935 119.950 0.084 0.000 2.631 322 F HA 0.842 5.369 4.527 -0.000 0.000 0.308 322 F C 0.161 176.210 175.800 0.416 0.000 1.097 322 F CA 0.565 58.674 58.000 0.183 0.000 0.952 322 F CB 2.261 41.400 39.000 0.231 0.000 1.307 322 F HN 0.590 nan 8.300 nan 0.000 0.450 323 G N 2.190 110.778 108.800 -0.353 0.000 2.251 323 G HA2 0.372 4.332 3.960 -0.000 0.000 0.058 323 G HA3 0.372 4.332 3.960 -0.000 0.000 0.058 323 G C -1.471 173.395 174.900 -0.056 0.000 0.922 323 G CA 0.114 45.183 45.100 -0.052 0.000 1.133 323 G HN 1.453 nan 8.290 nan 0.000 0.410 324 F N -0.969 119.024 119.950 0.071 0.000 2.728 324 F HA 0.630 5.157 4.527 0.000 0.000 0.315 324 F C -1.448 174.412 175.800 0.099 0.000 1.096 324 F CA -2.020 55.995 58.000 0.024 0.000 0.997 324 F CB -0.038 38.899 39.000 -0.105 0.000 1.252 324 F HN 0.998 nan 8.300 nan 0.000 0.458 325 Y N 0.039 120.399 120.300 0.101 0.000 2.387 325 Y HA 0.821 5.371 4.550 -0.000 0.000 0.336 325 Y C -0.186 175.745 175.900 0.051 0.000 1.067 325 Y CA -1.388 56.709 58.100 -0.006 0.000 1.114 325 Y CB 1.546 39.944 38.460 -0.103 0.000 1.208 325 Y HN 0.793 nan 8.280 nan 0.000 0.458 326 T N 1.594 116.230 114.554 0.136 0.000 2.963 326 T HA 0.552 4.902 4.350 -0.000 0.000 0.328 326 T C -0.675 173.957 174.700 -0.114 0.000 1.048 326 T CA -0.587 61.508 62.100 -0.009 0.000 1.033 326 T CB -0.432 68.488 68.868 0.087 0.000 1.010 326 T HN 0.690 nan 8.240 nan 0.000 0.469 327 I N 4.119 124.536 120.570 -0.255 0.000 2.421 327 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 327 I C 0.707 176.727 176.117 -0.160 0.000 1.089 327 I CA -0.034 61.039 61.300 -0.377 0.000 1.354 327 I CB 0.228 37.974 38.000 -0.425 0.000 1.413 327 I HN 0.839 nan 8.210 nan 0.000 0.513 328 S N 4.529 120.193 115.700 -0.061 0.000 2.595 328 S HA 0.418 4.888 4.470 -0.000 0.000 0.281 328 S C -0.748 173.877 174.600 0.042 0.000 1.117 328 S CA -1.015 57.216 58.200 0.051 0.000 0.873 328 S CB 1.905 65.177 63.200 0.120 0.000 1.108 328 S HN 0.621 nan 8.310 nan 0.000 0.477 329 Q N 0.578 120.400 119.800 0.037 0.000 2.432 329 Q HA 0.469 4.809 4.340 -0.000 0.000 0.264 329 Q C 1.350 177.371 176.000 0.034 0.000 1.035 329 Q CA 0.323 56.121 55.803 -0.007 0.000 0.908 329 Q CB 0.690 29.352 28.738 -0.126 0.000 1.280 329 Q HN 0.929 nan 8.270 nan 0.000 0.455 330 A N 3.204 126.024 122.820 0.000 0.000 2.240 330 A HA -0.266 4.054 4.320 -0.000 0.000 0.199 330 A C 1.957 179.481 177.584 -0.099 0.000 1.172 330 A CA 2.171 54.186 52.037 -0.038 0.000 0.807 330 A CB -1.813 17.136 19.000 -0.085 0.000 0.830 330 A HN 1.080 nan 8.150 nan 0.000 0.527 331 A N -2.362 120.262 122.820 -0.327 0.000 2.023 331 A HA -0.220 4.100 4.320 -0.000 0.000 0.223 331 A C 1.924 179.486 177.584 -0.037 0.000 1.180 331 A CA 2.361 54.133 52.037 -0.443 0.000 0.659 331 A CB -0.945 17.875 19.000 -0.299 0.000 0.817 331 A HN 0.725 nan 8.150 nan 0.000 0.466 332 Y N -0.781 119.455 120.300 -0.106 0.000 2.511 332 Y HA 0.297 4.847 4.550 -0.000 0.000 0.279 332 Y C 2.535 178.434 175.900 -0.002 0.000 1.157 332 Y CA -0.293 57.781 58.100 -0.042 0.000 1.300 332 Y CB -0.687 37.743 38.460 -0.050 0.000 1.052 332 Y HN 0.346 nan 8.280 nan 0.000 0.529 333 A N 0.517 123.422 122.820 0.141 0.000 1.892 333 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 333 A C 2.656 180.300 177.584 0.101 0.000 1.188 333 A CA 2.090 54.196 52.037 0.114 0.000 0.631 333 A CB -1.397 17.657 19.000 0.090 0.000 0.822 333 A HN 0.465 nan 8.150 nan 0.000 0.447 334 G N -0.705 108.147 108.800 0.086 0.000 2.586 334 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 334 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 334 G C 1.551 176.490 174.900 0.064 0.000 1.216 334 G CA 1.230 46.373 45.100 0.072 0.000 0.786 334 G HN 0.687 nan 8.290 nan 0.000 0.583 335 Q N -0.184 119.636 119.800 0.033 0.000 2.062 335 Q HA -0.144 4.196 4.340 -0.000 0.000 0.209 335 Q C 2.774 178.811 176.000 0.062 0.000 0.996 335 Q CA 1.824 57.640 55.803 0.023 0.000 0.859 335 Q CB -0.583 28.138 28.738 -0.029 0.000 0.920 335 Q HN 0.389 nan 8.270 nan 0.000 0.415 336 V N 0.940 120.914 119.914 0.099 0.000 2.594 336 V HA -0.222 3.898 4.120 -0.000 0.000 0.253 336 V C 2.023 178.195 176.094 0.130 0.000 1.069 336 V CA 1.455 63.842 62.300 0.145 0.000 1.082 336 V CB -0.561 31.398 31.823 0.227 0.000 0.680 336 V HN 0.326 nan 8.190 nan 0.000 0.469 337 I N -0.687 119.959 120.570 0.128 0.000 2.385 337 I HA -0.102 4.068 4.170 -0.000 0.000 0.244 337 I C 2.472 178.686 176.117 0.160 0.000 1.089 337 I CA 0.992 62.392 61.300 0.167 0.000 1.410 337 I CB -0.497 37.604 38.000 0.168 0.000 1.117 337 I HN 0.124 nan 8.210 nan 0.000 0.429 338 K N 1.502 121.985 120.400 0.138 0.000 2.059 338 K HA -0.241 4.079 4.320 -0.000 0.000 0.212 338 K C 2.239 178.946 176.600 0.179 0.000 1.050 338 K CA 1.861 58.255 56.287 0.178 0.000 0.927 338 K CB -0.427 32.149 32.500 0.127 0.000 0.714 338 K HN 0.355 nan 8.250 nan 0.000 0.447 339 A N 1.638 124.514 122.820 0.093 0.000 1.829 339 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 339 A C 2.447 180.020 177.584 -0.019 0.000 1.207 339 A CA 2.280 54.342 52.037 0.042 0.000 0.622 339 A CB -1.271 17.748 19.000 0.032 0.000 0.846 339 A HN 0.364 nan 8.150 nan 0.000 0.447 340 A N -1.876 120.884 122.820 -0.101 0.000 1.971 340 A HA -0.251 4.069 4.320 -0.000 0.000 0.222 340 A C 2.147 179.459 177.584 -0.454 0.000 1.182 340 A CA 2.327 54.147 52.037 -0.361 0.000 0.649 340 A CB -0.925 17.709 19.000 -0.609 0.000 0.818 340 A HN 0.851 nan 8.150 nan 0.000 0.458 341 Y N 1.270 121.356 120.300 -0.357 0.000 2.109 341 Y HA -0.202 4.348 4.550 -0.000 0.000 0.285 341 Y C 2.327 178.224 175.900 -0.005 0.000 1.131 341 Y CA 1.953 60.008 58.100 -0.076 0.000 1.121 341 Y CB -0.504 38.069 38.460 0.188 0.000 0.987 341 Y HN 0.355 nan 8.280 nan 0.000 0.495 342 N N 0.280 118.989 118.700 0.016 0.000 2.096 342 N HA -0.243 4.497 4.740 -0.000 0.000 0.195 342 N C 1.754 177.202 175.510 -0.103 0.000 1.017 342 N CA 1.759 54.772 53.050 -0.062 0.000 0.870 342 N CB -0.447 38.048 38.487 0.013 0.000 1.024 342 N HN 0.528 nan 8.380 nan 0.000 0.434 343 Q N 0.602 120.340 119.800 -0.102 0.000 2.050 343 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 343 Q C 2.340 178.265 176.000 -0.126 0.000 0.980 343 Q CA 0.837 56.578 55.803 -0.103 0.000 0.840 343 Q CB -0.519 28.153 28.738 -0.109 0.000 0.898 343 Q HN 0.240 nan 8.270 nan 0.000 0.424 344 V N 1.421 121.224 119.914 -0.186 0.000 2.343 344 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 344 V C 2.408 178.432 176.094 -0.116 0.000 1.051 344 V CA 1.925 64.112 62.300 -0.187 0.000 1.036 344 V CB -0.553 31.073 31.823 -0.329 0.000 0.654 344 V HN 0.343 nan 8.190 nan 0.000 0.451 345 K N 0.652 120.955 120.400 -0.161 0.000 1.968 345 K HA -0.236 4.084 4.320 -0.000 0.000 0.222 345 K C 2.364 178.929 176.600 -0.059 0.000 1.043 345 K CA 2.414 58.630 56.287 -0.118 0.000 0.991 345 K CB -0.734 31.639 32.500 -0.213 0.000 0.744 345 K HN 0.578 nan 8.250 nan 0.000 0.445 346 T N -0.483 114.034 114.554 -0.061 0.000 2.792 346 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 346 T C 2.199 176.879 174.700 -0.033 0.000 1.059 346 T CA 1.985 64.062 62.100 -0.037 0.000 1.136 346 T CB -1.457 67.391 68.868 -0.033 0.000 0.846 346 T HN 0.334 nan 8.240 nan 0.000 0.489 347 I N 1.709 122.254 120.570 -0.041 0.000 2.208 347 I HA 0.297 4.467 4.170 -0.000 0.000 0.245 347 I C 3.225 179.325 176.117 -0.030 0.000 1.097 347 I CA 2.359 63.637 61.300 -0.036 0.000 1.363 347 I CB -1.998 35.977 38.000 -0.042 0.000 1.051 347 I HN 0.726 nan 8.210 nan 0.000 0.413 348 A N -0.840 121.968 122.820 -0.020 0.000 1.898 348 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 348 A C 1.998 179.573 177.584 -0.015 0.000 1.181 348 A CA 1.202 53.230 52.037 -0.014 0.000 0.620 348 A CB -0.770 18.240 19.000 0.017 0.000 0.819 348 A HN 0.792 nan 8.150 nan 0.000 0.442 349 Q N -0.660 119.132 119.800 -0.013 0.000 2.425 349 Q HA 0.212 4.552 4.340 -0.000 0.000 0.213 349 Q C 0.806 176.797 176.000 -0.015 0.000 0.950 349 Q CA 0.318 56.114 55.803 -0.011 0.000 0.979 349 Q CB -0.673 28.059 28.738 -0.010 0.000 0.997 349 Q HN 0.888 nan 8.270 nan 0.000 0.509 350 G N 1.802 110.591 108.800 -0.020 0.000 2.137 350 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.237 350 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.237 350 G C -0.096 174.792 174.900 -0.021 0.000 1.002 350 G CA 0.078 45.166 45.100 -0.021 0.000 0.702 350 G HN 0.571 nan 8.290 nan 0.000 0.515 351 N N -0.110 118.577 118.700 -0.022 0.000 3.322 351 N HA 0.435 5.175 4.740 -0.000 0.000 0.290 351 N C -0.517 174.980 175.510 -0.022 0.000 1.297 351 N CA -0.189 52.849 53.050 -0.020 0.000 1.167 351 N CB 0.299 38.773 38.487 -0.021 0.000 1.434 351 N HN 0.099 nan 8.380 nan 0.000 0.526 352 V N 1.691 121.592 119.914 -0.022 0.000 2.577 352 V HA 0.160 4.280 4.120 -0.000 0.000 0.294 352 V C -0.131 175.951 176.094 -0.020 0.000 1.052 352 V CA -0.996 61.291 62.300 -0.022 0.000 0.891 352 V CB 1.314 33.119 31.823 -0.030 0.000 1.017 352 V HN 0.465 nan 8.190 nan 0.000 0.436 353 S N 3.127 118.817 115.700 -0.016 0.000 2.565 353 S HA 0.271 4.741 4.470 -0.000 0.000 0.274 353 S C 0.863 175.453 174.600 -0.016 0.000 1.309 353 S CA -0.612 57.578 58.200 -0.015 0.000 1.043 353 S CB 0.829 64.022 63.200 -0.012 0.000 0.939 353 S HN 0.639 nan 8.310 nan 0.000 0.504 354 N N 1.504 120.193 118.700 -0.018 0.000 2.659 354 N HA -0.137 4.603 4.740 -0.000 0.000 0.194 354 N C 1.280 176.781 175.510 -0.016 0.000 1.140 354 N CA 0.838 53.876 53.050 -0.019 0.000 0.936 354 N CB -0.161 38.314 38.487 -0.019 0.000 0.970 354 N HN 0.883 nan 8.380 nan 0.000 0.449 355 E N 1.318 121.511 120.200 -0.013 0.000 2.022 355 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 355 E C 1.248 177.844 176.600 -0.008 0.000 0.973 355 E CA 0.411 56.806 56.400 -0.010 0.000 0.816 355 E CB -0.023 29.672 29.700 -0.008 0.000 0.781 355 E HN 0.328 nan 8.360 nan 0.000 0.456 356 N N 0.148 118.845 118.700 -0.006 0.000 2.144 356 N HA -0.230 4.510 4.740 -0.000 0.000 0.195 356 N C 1.942 177.452 175.510 0.000 0.000 1.006 356 N CA 1.536 54.585 53.050 -0.001 0.000 0.880 356 N CB -0.092 38.394 38.487 -0.003 0.000 1.018 356 N HN 0.044 nan 8.380 nan 0.000 0.443 357 V N 1.105 121.013 119.914 -0.010 0.000 2.343 357 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 357 V C 2.465 178.549 176.094 -0.017 0.000 1.051 357 V CA 1.639 63.929 62.300 -0.017 0.000 1.036 357 V CB -0.643 31.163 31.823 -0.028 0.000 0.654 357 V HN 0.388 nan 8.190 nan 0.000 0.451 358 Q N -0.033 119.758 119.800 -0.015 0.000 2.050 358 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 358 Q C 2.311 178.306 176.000 -0.009 0.000 0.980 358 Q CA 2.048 57.842 55.803 -0.015 0.000 0.840 358 Q CB -0.309 28.421 28.738 -0.013 0.000 0.898 358 Q HN 0.609 nan 8.270 nan 0.000 0.424 359 A N 1.182 124.002 122.820 0.000 0.000 1.859 359 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 359 A C 2.318 179.914 177.584 0.021 0.000 1.209 359 A CA 2.401 54.445 52.037 0.012 0.000 0.639 359 A CB -1.494 17.517 19.000 0.017 0.000 0.835 359 A HN 0.614 nan 8.150 nan 0.000 0.450 360 A N -0.338 122.500 122.820 0.030 0.000 1.848 360 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 360 A C 2.023 179.578 177.584 -0.048 0.000 1.220 360 A CA 2.388 54.448 52.037 0.038 0.000 0.645 360 A CB -0.912 18.120 19.000 0.053 0.000 0.842 360 A HN 0.567 nan 8.150 nan 0.000 0.451 361 K N -0.535 119.833 120.400 -0.054 0.000 2.148 361 K HA -0.247 4.073 4.320 -0.000 0.000 0.213 361 K C 1.568 178.125 176.600 -0.071 0.000 1.050 361 K CA 1.862 58.105 56.287 -0.073 0.000 0.932 361 K CB -0.384 32.084 32.500 -0.052 0.000 0.717 361 K HN 0.505 nan 8.250 nan 0.000 0.462 362 N N 0.355 119.031 118.700 -0.040 0.000 2.463 362 N HA -0.038 4.701 4.740 -0.000 0.000 0.181 362 N C 1.206 176.709 175.510 -0.011 0.000 1.078 362 N CA 0.695 53.731 53.050 -0.023 0.000 0.902 362 N CB 0.252 38.734 38.487 -0.008 0.000 0.970 362 N HN 0.286 nan 8.380 nan 0.000 0.451 363 K N 0.599 120.990 120.400 -0.015 0.000 2.116 363 K HA 0.119 4.439 4.320 -0.000 0.000 0.203 363 K C 2.027 178.606 176.600 -0.035 0.000 1.052 363 K CA 0.371 56.680 56.287 0.036 0.000 0.952 363 K CB 0.092 32.715 32.500 0.205 0.000 0.729 363 K HN 0.053 nan 8.250 nan 0.000 0.446 364 L N 1.439 122.531 121.223 -0.218 0.000 2.017 364 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 364 L C 2.239 179.102 176.870 -0.012 0.000 1.073 364 L CA 1.505 56.228 54.840 -0.196 0.000 0.745 364 L CB -0.439 41.468 42.059 -0.254 0.000 0.894 364 L HN 0.141 nan 8.230 nan 0.000 0.432 365 K N 0.003 120.389 120.400 -0.023 0.000 2.089 365 K HA -0.258 4.062 4.320 -0.000 0.000 0.210 365 K C 2.129 178.786 176.600 0.095 0.000 1.048 365 K CA 1.723 58.028 56.287 0.030 0.000 0.926 365 K CB -0.380 32.121 32.500 0.001 0.000 0.714 365 K HN 0.361 nan 8.250 nan 0.000 0.448 366 A N 1.842 124.701 122.820 0.065 0.000 1.825 366 A HA -0.175 4.145 4.320 -0.000 0.000 0.214 366 A C 1.934 179.574 177.584 0.092 0.000 1.206 366 A CA 1.520 53.599 52.037 0.071 0.000 0.609 366 A CB -0.456 18.578 19.000 0.057 0.000 0.851 366 A HN 0.169 nan 8.150 nan 0.000 0.445 367 K N -1.628 118.835 120.400 0.106 0.000 2.144 367 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 367 K C 1.927 178.597 176.600 0.117 0.000 1.047 367 K CA 2.127 58.485 56.287 0.118 0.000 0.927 367 K CB -0.479 32.123 32.500 0.169 0.000 0.716 367 K HN 0.628 nan 8.250 nan 0.000 0.454 368 Y N 1.544 121.862 120.300 0.030 0.000 2.070 368 Y HA -0.197 4.353 4.550 -0.000 0.000 0.279 368 Y C 1.951 177.875 175.900 0.041 0.000 1.134 368 Y CA 1.472 59.591 58.100 0.032 0.000 1.113 368 Y CB -0.476 37.989 38.460 0.009 0.000 0.981 368 Y HN -0.094 nan 8.280 nan 0.000 0.487 369 L N -0.380 120.894 121.223 0.085 0.000 2.129 369 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 369 L C 2.462 179.303 176.870 -0.048 0.000 1.087 369 L CA 1.689 56.529 54.840 -0.000 0.000 0.757 369 L CB -0.505 41.605 42.059 0.086 0.000 0.896 369 L HN 0.415 nan 8.230 nan 0.000 0.434 370 M N -1.414 118.177 119.600 -0.015 0.000 2.160 370 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 370 M C 1.556 177.841 176.300 -0.024 0.000 1.073 370 M CA 1.021 56.316 55.300 -0.009 0.000 1.142 370 M CB -0.072 32.539 32.600 0.019 0.000 1.358 370 M HN -0.020 nan 8.290 nan 0.000 0.422 371 S N 0.650 116.331 115.700 -0.031 0.000 3.305 371 S HA 0.138 4.608 4.470 -0.000 0.000 0.248 371 S C 0.639 175.204 174.600 -0.060 0.000 1.288 371 S CA 0.032 58.217 58.200 -0.024 0.000 1.249 371 S CB -0.411 62.789 63.200 0.000 0.000 1.116 371 S HN 0.230 nan 8.310 nan 0.000 0.465 372 V N -0.575 119.307 119.914 -0.053 0.000 3.623 372 V HA 0.085 4.205 4.120 -0.000 0.000 0.283 372 V C 1.311 177.405 176.094 0.001 0.000 1.643 372 V CA -0.255 62.041 62.300 -0.006 0.000 1.121 372 V CB 0.154 31.896 31.823 -0.134 0.000 0.933 372 V HN 0.343 nan 8.190 nan 0.000 0.420 373 E N 1.718 121.908 120.200 -0.016 0.000 2.046 373 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 373 E C 1.257 177.866 176.600 0.015 0.000 0.982 373 E CA 1.356 57.739 56.400 -0.028 0.000 0.800 373 E CB -0.028 29.661 29.700 -0.017 0.000 0.756 373 E HN 0.613 nan 8.360 nan 0.000 0.449 374 S N 1.619 117.349 115.700 0.050 0.000 2.686 374 S HA 0.050 4.520 4.470 -0.000 0.000 0.324 374 S C 1.282 175.968 174.600 0.143 0.000 1.172 374 S CA 0.064 58.309 58.200 0.074 0.000 1.127 374 S CB 0.588 63.822 63.200 0.057 0.000 1.338 374 S HN 0.285 nan 8.310 nan 0.000 0.547 375 S N 2.311 118.122 115.700 0.184 0.000 2.509 375 S HA -0.415 4.055 4.470 -0.000 0.000 0.285 375 S C 1.573 176.320 174.600 0.245 0.000 1.185 375 S CA 2.000 60.404 58.200 0.339 0.000 1.152 375 S CB -1.015 62.331 63.200 0.245 0.000 1.088 375 S HN 0.763 nan 8.310 nan 0.000 0.446 376 E N 1.840 122.118 120.200 0.130 0.000 2.077 376 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 376 E C 2.202 178.841 176.600 0.064 0.000 0.989 376 E CA 1.554 57.996 56.400 0.070 0.000 0.800 376 E CB -1.170 28.556 29.700 0.043 0.000 0.746 376 E HN 0.656 nan 8.360 nan 0.000 0.452 377 G N -0.536 108.318 108.800 0.090 0.000 2.421 377 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 377 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 377 G C 1.421 176.384 174.900 0.104 0.000 1.143 377 G CA 0.609 45.758 45.100 0.081 0.000 0.784 377 G HN 0.386 nan 8.290 nan 0.000 0.541 378 F N 1.337 121.297 119.950 0.016 0.000 2.084 378 F HA 0.087 4.614 4.527 -0.000 0.000 0.296 378 F C 2.079 177.912 175.800 0.055 0.000 1.111 378 F CA 0.692 58.698 58.000 0.010 0.000 1.224 378 F CB -0.522 38.481 39.000 0.005 0.000 0.991 378 F HN 0.072 nan 8.300 nan 0.000 0.471 379 L N 1.104 121.963 121.223 -0.607 0.000 2.081 379 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 379 L C 2.209 178.999 176.870 -0.135 0.000 1.080 379 L CA 2.560 57.079 54.840 -0.534 0.000 0.754 379 L CB -1.261 40.696 42.059 -0.170 0.000 0.893 379 L HN 0.422 nan 8.230 nan 0.000 0.433 380 E N 0.012 120.222 120.200 0.016 0.000 2.153 380 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 380 E C 1.997 178.642 176.600 0.075 0.000 0.988 380 E CA 1.323 57.830 56.400 0.179 0.000 0.811 380 E CB 0.046 29.820 29.700 0.124 0.000 0.746 380 E HN 0.443 nan 8.360 nan 0.000 0.466 381 E N -0.114 120.077 120.200 -0.014 0.000 2.028 381 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 381 E C 2.356 178.941 176.600 -0.025 0.000 0.984 381 E CA 1.537 57.953 56.400 0.027 0.000 0.800 381 E CB -0.583 29.181 29.700 0.107 0.000 0.758 381 E HN 0.400 nan 8.360 nan 0.000 0.448 382 V N -0.706 119.122 119.914 -0.143 0.000 2.380 382 V HA -0.143 3.977 4.120 -0.000 0.000 0.251 382 V C 2.141 178.061 176.094 -0.290 0.000 1.063 382 V CA 2.279 64.486 62.300 -0.155 0.000 1.055 382 V CB -1.419 30.214 31.823 -0.318 0.000 0.657 382 V HN 0.188 nan 8.190 nan 0.000 0.455 383 G N -0.326 108.149 108.800 -0.543 0.000 2.425 383 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.213 383 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.213 383 G C 1.681 176.117 174.900 -0.773 0.000 1.201 383 G CA 0.892 45.267 45.100 -1.208 0.000 0.799 383 G HN 0.524 nan 8.290 nan 0.000 0.534 384 S N 0.086 115.551 115.700 -0.391 0.000 2.400 384 S HA -0.249 4.221 4.470 -0.000 0.000 0.234 384 S C 2.234 176.792 174.600 -0.069 0.000 1.049 384 S CA 1.902 60.046 58.200 -0.093 0.000 1.039 384 S CB -0.259 62.967 63.200 0.043 0.000 0.856 384 S HN 0.590 nan 8.310 nan 0.000 0.465 385 Q N 0.437 120.197 119.800 -0.065 0.000 2.089 385 Q HA 0.101 4.440 4.340 -0.000 0.000 0.195 385 Q C 2.177 178.154 176.000 -0.038 0.000 0.963 385 Q CA 0.934 56.730 55.803 -0.011 0.000 0.834 385 Q CB -0.320 28.448 28.738 0.050 0.000 0.906 385 Q HN 0.534 nan 8.270 nan 0.000 0.452 386 A N 0.414 123.179 122.820 -0.092 0.000 2.234 386 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 386 A C 1.708 179.238 177.584 -0.090 0.000 1.167 386 A CA 0.966 52.947 52.037 -0.094 0.000 0.698 386 A CB -0.305 18.605 19.000 -0.151 0.000 0.779 386 A HN 0.471 nan 8.150 nan 0.000 0.475 387 L N -2.116 119.050 121.223 -0.096 0.000 2.349 387 L HA 0.431 4.771 4.340 -0.000 0.000 0.200 387 L C 2.485 179.357 176.870 0.002 0.000 1.064 387 L CA 1.489 56.304 54.840 -0.041 0.000 0.821 387 L CB -0.630 41.414 42.059 -0.026 0.000 1.027 387 L HN 0.186 nan 8.230 nan 0.000 0.476 388 A N 0.001 122.826 122.820 0.008 0.000 1.825 388 A HA 0.114 4.434 4.320 -0.000 0.000 0.214 388 A C 2.244 179.841 177.584 0.022 0.000 1.206 388 A CA 1.849 53.903 52.037 0.029 0.000 0.609 388 A CB -1.297 17.725 19.000 0.037 0.000 0.851 388 A HN 0.508 nan 8.150 nan 0.000 0.445 389 A N -2.488 120.342 122.820 0.017 0.000 1.865 389 A HA 0.415 4.735 4.320 -0.000 0.000 0.216 389 A C 1.923 179.515 177.584 0.014 0.000 1.315 389 A CA 2.036 54.083 52.037 0.017 0.000 0.605 389 A CB -0.837 18.173 19.000 0.017 0.000 0.984 389 A HN 1.957 nan 8.150 nan 0.000 0.470 390 G N -1.902 106.906 108.800 0.013 0.000 2.321 390 G HA2 0.036 3.996 3.960 -0.000 0.000 0.174 390 G HA3 0.036 3.996 3.960 -0.000 0.000 0.174 390 G C 0.434 175.348 174.900 0.023 0.000 1.008 390 G CA 0.909 46.015 45.100 0.010 0.000 0.739 390 G HN 1.413 nan 8.290 nan 0.000 0.502 391 S N -0.872 114.853 115.700 0.040 0.000 3.124 391 S HA 0.848 5.318 4.470 -0.000 0.000 0.234 391 S C -0.432 174.266 174.600 0.163 0.000 1.045 391 S CA -0.537 57.707 58.200 0.073 0.000 1.200 391 S CB 1.827 65.057 63.200 0.051 0.000 1.186 391 S HN 1.417 nan 8.310 nan 0.000 0.617 392 Y N 1.408 121.704 120.300 -0.007 0.000 2.266 392 Y HA 0.320 4.870 4.550 -0.000 0.000 0.321 392 Y C -1.734 174.175 175.900 0.016 0.000 1.194 392 Y CA -0.870 57.234 58.100 0.007 0.000 1.430 392 Y CB 0.069 38.534 38.460 0.009 0.000 1.240 392 Y HN 0.666 nan 8.280 nan 0.000 0.420 393 N N 7.802 126.315 118.700 -0.313 0.000 2.438 393 N HA 0.180 4.920 4.740 -0.000 0.000 0.267 393 N C -2.613 172.542 175.510 -0.591 0.000 1.222 393 N CA -0.814 52.042 53.050 -0.324 0.000 0.930 393 N CB 1.018 39.380 38.487 -0.210 0.000 1.083 393 N HN 0.405 nan 8.380 nan 0.000 0.476 394 P HA 0.107 nan 4.420 nan 0.000 0.272 394 P C -1.786 175.395 177.300 -0.199 0.000 1.223 394 P CA -1.107 61.795 63.100 -0.330 0.000 0.784 394 P CB 0.795 32.434 31.700 -0.103 0.000 0.923 395 P HA -0.187 nan 4.420 nan 0.000 0.217 395 P C 1.442 178.707 177.300 -0.059 0.000 1.148 395 P CA 1.501 64.594 63.100 -0.011 0.000 0.828 395 P CB -0.217 31.536 31.700 0.088 0.000 0.783 396 S N 0.414 116.085 115.700 -0.049 0.000 2.365 396 S HA -0.157 4.313 4.470 -0.000 0.000 0.221 396 S C 2.190 176.746 174.600 -0.074 0.000 1.037 396 S CA 2.594 60.765 58.200 -0.047 0.000 1.060 396 S CB -1.631 61.550 63.200 -0.032 0.000 0.974 396 S HN 0.474 nan 8.310 nan 0.000 0.427 397 T N -0.063 114.436 114.554 -0.091 0.000 2.942 397 T HA 0.090 4.440 4.350 -0.000 0.000 0.265 397 T C 1.744 176.363 174.700 -0.135 0.000 1.062 397 T CA 0.880 62.920 62.100 -0.099 0.000 1.139 397 T CB -0.685 68.128 68.868 -0.091 0.000 0.883 397 T HN 0.145 nan 8.240 nan 0.000 0.468 398 V N 1.450 121.252 119.914 -0.187 0.000 2.469 398 V HA -0.018 4.102 4.120 -0.000 0.000 0.251 398 V C 2.984 178.928 176.094 -0.250 0.000 1.064 398 V CA 2.103 64.243 62.300 -0.267 0.000 1.066 398 V CB -0.777 30.787 31.823 -0.432 0.000 0.667 398 V HN 0.702 nan 8.190 nan 0.000 0.461 399 L N -1.199 119.910 121.223 -0.190 0.000 2.084 399 L HA -0.010 4.330 4.340 -0.000 0.000 0.202 399 L C 2.591 179.396 176.870 -0.108 0.000 1.074 399 L CA 2.215 56.970 54.840 -0.143 0.000 0.757 399 L CB -1.716 40.286 42.059 -0.095 0.000 0.918 399 L HN 0.437 nan 8.230 nan 0.000 0.444 400 Q N -0.746 118.999 119.800 -0.091 0.000 2.217 400 Q HA -0.290 4.050 4.340 -0.000 0.000 0.209 400 Q C 2.275 178.230 176.000 -0.074 0.000 0.988 400 Q CA 2.274 58.034 55.803 -0.071 0.000 0.878 400 Q CB -0.084 28.616 28.738 -0.063 0.000 0.909 400 Q HN 0.852 nan 8.270 nan 0.000 0.424 401 Q N -0.285 119.459 119.800 -0.093 0.000 2.123 401 Q HA -0.025 4.315 4.340 -0.000 0.000 0.196 401 Q C 2.067 178.015 176.000 -0.086 0.000 0.958 401 Q CA 0.412 56.163 55.803 -0.087 0.000 0.841 401 Q CB -0.428 28.251 28.738 -0.098 0.000 0.915 401 Q HN 0.369 nan 8.270 nan 0.000 0.455 402 I N 1.686 122.192 120.570 -0.107 0.000 2.252 402 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 402 I C 0.897 176.966 176.117 -0.079 0.000 1.102 402 I CA 1.612 62.852 61.300 -0.100 0.000 1.385 402 I CB -0.333 37.591 38.000 -0.126 0.000 1.064 402 I HN 0.035 nan 8.210 nan 0.000 0.414 403 D N 1.454 121.809 120.400 -0.074 0.000 2.117 403 D HA -0.065 4.575 4.640 -0.000 0.000 0.198 403 D C 2.275 178.544 176.300 -0.052 0.000 0.982 403 D CA 1.507 55.472 54.000 -0.059 0.000 0.828 403 D CB -0.198 40.570 40.800 -0.053 0.000 0.967 403 D HN 0.417 nan 8.370 nan 0.000 0.464 404 A N 0.239 123.027 122.820 -0.053 0.000 2.038 404 A HA -0.165 4.155 4.320 -0.000 0.000 0.224 404 A C 1.249 178.808 177.584 -0.043 0.000 1.190 404 A CA 1.443 53.452 52.037 -0.046 0.000 0.668 404 A CB -0.213 18.758 19.000 -0.048 0.000 0.820 404 A HN 0.168 nan 8.150 nan 0.000 0.474 405 V N -3.953 115.933 119.914 -0.047 0.000 3.156 405 V HA 0.889 5.009 4.120 -0.000 0.000 0.311 405 V C 0.075 176.138 176.094 -0.051 0.000 1.208 405 V CA -0.300 61.972 62.300 -0.047 0.000 1.063 405 V CB 1.369 33.164 31.823 -0.047 0.000 1.098 405 V HN 1.363 nan 8.190 nan 0.000 0.452 406 A N 0.192 122.980 122.820 -0.054 0.000 2.395 406 A HA 0.506 4.826 4.320 -0.000 0.000 0.297 406 A C 0.303 177.852 177.584 -0.057 0.000 0.966 406 A CA 0.390 52.393 52.037 -0.057 0.000 0.570 406 A CB -0.381 18.590 19.000 -0.047 0.000 1.447 406 A HN 1.622 nan 8.150 nan 0.000 0.511 407 D N -0.823 119.543 120.400 -0.057 0.000 4.723 407 D HA -0.345 4.295 4.640 -0.000 0.000 0.328 407 D C 1.241 177.506 176.300 -0.059 0.000 1.704 407 D CA 3.583 57.550 54.000 -0.054 0.000 1.182 407 D CB -1.685 39.091 40.800 -0.041 0.000 0.596 407 D HN 2.071 nan 8.370 nan 0.000 1.041 408 A N 0.152 122.941 122.820 -0.052 0.000 2.215 408 A HA 0.209 4.529 4.320 -0.000 0.000 0.208 408 A C 0.715 178.260 177.584 -0.065 0.000 1.296 408 A CA 1.480 53.487 52.037 -0.050 0.000 0.918 408 A CB -0.492 18.483 19.000 -0.040 0.000 0.806 408 A HN 0.543 nan 8.150 nan 0.000 0.490 409 D N -2.807 117.541 120.400 -0.086 0.000 2.259 409 D HA 0.045 4.685 4.640 -0.000 0.000 0.301 409 D C 1.549 177.743 176.300 -0.175 0.000 1.149 409 D CA 0.293 54.221 54.000 -0.120 0.000 1.012 409 D CB 0.030 40.761 40.800 -0.115 0.000 1.797 409 D HN 0.014 nan 8.370 nan 0.000 0.513 410 V N 1.966 121.783 119.914 -0.161 0.000 2.252 410 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 410 V C 2.329 178.324 176.094 -0.164 0.000 1.056 410 V CA 1.680 63.870 62.300 -0.184 0.000 1.022 410 V CB -0.674 31.079 31.823 -0.116 0.000 0.641 410 V HN 0.252 nan 8.190 nan 0.000 0.445 411 I N -0.357 120.147 120.570 -0.110 0.000 2.194 411 I HA -0.315 3.855 4.170 -0.000 0.000 0.246 411 I C 2.565 178.627 176.117 -0.091 0.000 1.093 411 I CA 2.067 63.318 61.300 -0.082 0.000 1.355 411 I CB -0.527 37.438 38.000 -0.058 0.000 1.046 411 I HN 0.278 nan 8.210 nan 0.000 0.413 412 K N 1.136 121.470 120.400 -0.111 0.000 2.062 412 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 412 K C 2.321 178.828 176.600 -0.154 0.000 1.051 412 K CA 1.140 57.364 56.287 -0.105 0.000 0.941 412 K CB -0.114 32.330 32.500 -0.093 0.000 0.719 412 K HN 0.271 nan 8.250 nan 0.000 0.440 413 A N 1.290 123.929 122.820 -0.302 0.000 1.892 413 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 413 A C 2.336 179.733 177.584 -0.312 0.000 1.188 413 A CA 2.197 53.899 52.037 -0.558 0.000 0.631 413 A CB -1.015 17.302 19.000 -1.138 0.000 0.822 413 A HN 0.470 nan 8.150 nan 0.000 0.447 414 A N -0.612 122.091 122.820 -0.196 0.000 1.908 414 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 414 A C 2.393 180.051 177.584 0.124 0.000 1.181 414 A CA 3.193 55.234 52.037 0.006 0.000 0.627 414 A CB -1.054 17.937 19.000 -0.015 0.000 0.818 414 A HN 0.808 nan 8.150 nan 0.000 0.445 415 K N 0.367 120.792 120.400 0.042 0.000 2.001 415 K HA -0.210 4.110 4.320 -0.000 0.000 0.214 415 K C 2.102 178.764 176.600 0.102 0.000 1.050 415 K CA 2.342 58.666 56.287 0.062 0.000 0.934 415 K CB -0.942 31.567 32.500 0.015 0.000 0.718 415 K HN 0.644 nan 8.250 nan 0.000 0.443 416 K N -1.082 119.369 120.400 0.084 0.000 2.077 416 K HA -0.208 4.112 4.320 -0.000 0.000 0.213 416 K C 2.023 178.722 176.600 0.165 0.000 1.051 416 K CA 2.108 58.459 56.287 0.107 0.000 0.929 416 K CB -0.425 32.152 32.500 0.127 0.000 0.715 416 K HN 0.443 nan 8.250 nan 0.000 0.451 417 F N 1.164 121.192 119.950 0.129 0.000 2.010 417 F HA -0.282 4.245 4.527 -0.000 0.000 0.296 417 F C 1.976 177.877 175.800 0.168 0.000 1.146 417 F CA 2.033 60.160 58.000 0.211 0.000 1.181 417 F CB -0.718 38.469 39.000 0.312 0.000 0.965 417 F HN -0.159 nan 8.300 nan 0.000 0.480 418 V N 0.809 120.912 119.914 0.314 0.000 2.278 418 V HA -0.397 3.723 4.120 -0.000 0.000 0.251 418 V C 2.590 178.705 176.094 0.034 0.000 1.062 418 V CA 2.331 64.721 62.300 0.150 0.000 1.038 418 V CB -1.780 30.130 31.823 0.145 0.000 0.646 418 V HN 0.636 nan 8.190 nan 0.000 0.447 419 S N 1.016 116.739 115.700 0.038 0.000 2.335 419 S HA -0.037 4.433 4.470 -0.000 0.000 0.217 419 S C 1.621 176.218 174.600 -0.006 0.000 1.032 419 S CA 0.858 59.071 58.200 0.021 0.000 0.985 419 S CB -0.699 62.517 63.200 0.027 0.000 0.896 419 S HN 0.786 nan 8.310 nan 0.000 0.445 420 R N 1.490 121.974 120.500 -0.027 0.000 2.919 420 R HA 0.246 4.586 4.340 -0.000 0.000 0.271 420 R C 0.382 176.649 176.300 -0.055 0.000 0.995 420 R CA 0.579 56.650 56.100 -0.049 0.000 1.158 420 R CB -1.056 nan 30.300 nan 0.000 1.071 420 R HN 0.775 nan 8.270 nan 0.000 0.476 421 Q N 0.466 120.256 119.800 -0.017 0.000 2.327 421 Q HA 0.272 4.612 4.340 -0.000 0.000 0.254 421 Q C -0.808 175.223 176.000 0.051 0.000 0.952 421 Q CA -0.025 55.804 55.803 0.043 0.000 0.884 421 Q CB 0.587 29.402 28.738 0.129 0.000 1.224 421 Q HN 0.661 nan 8.270 nan 0.000 0.422 422 K N 1.062 121.481 120.400 0.031 0.000 2.221 422 K HA 0.529 4.849 4.320 -0.000 0.000 0.243 422 K C -1.237 175.391 176.600 0.046 0.000 0.968 422 K CA -0.796 55.500 56.287 0.014 0.000 0.846 422 K CB 1.962 34.417 32.500 -0.074 0.000 1.141 422 K HN 0.669 nan 8.250 nan 0.000 0.434 423 S N 1.425 117.148 115.700 0.039 0.000 2.672 423 S HA 0.485 4.955 4.470 -0.000 0.000 0.291 423 S C -0.688 173.888 174.600 -0.040 0.000 1.145 423 S CA -0.945 57.243 58.200 -0.020 0.000 1.013 423 S CB 1.056 64.207 63.200 -0.082 0.000 1.017 423 S HN 0.691 nan 8.310 nan 0.000 0.487 424 M N 3.010 122.578 119.600 -0.054 0.000 2.706 424 M HA 0.858 5.338 4.480 -0.000 0.000 0.304 424 M C -1.090 175.165 176.300 -0.074 0.000 1.217 424 M CA -0.615 54.637 55.300 -0.079 0.000 0.922 424 M CB 1.939 34.493 32.600 -0.078 0.000 1.637 424 M HN 1.040 nan 8.290 nan 0.000 0.492 425 A N 1.457 124.223 122.820 -0.089 0.000 2.594 425 A HA 0.960 5.280 4.320 -0.000 0.000 0.295 425 A C -1.836 175.705 177.584 -0.071 0.000 1.071 425 A CA -0.235 51.758 52.037 -0.074 0.000 0.685 425 A CB 1.583 20.537 19.000 -0.076 0.000 1.285 425 A HN 1.268 nan 8.150 nan 0.000 0.405 426 A N 0.149 122.935 122.820 -0.056 0.000 2.599 426 A HA 0.837 5.157 4.320 -0.000 0.000 0.294 426 A C -0.714 176.857 177.584 -0.022 0.000 1.055 426 A CA -0.111 51.905 52.037 -0.035 0.000 0.683 426 A CB 1.069 20.034 19.000 -0.058 0.000 1.278 426 A HN 1.553 nan 8.150 nan 0.000 0.412 427 S N -0.588 115.118 115.700 0.010 0.000 2.549 427 S HA 0.974 5.444 4.470 -0.000 0.000 0.280 427 S C 0.162 174.782 174.600 0.034 0.000 1.109 427 S CA 0.214 58.415 58.200 0.002 0.000 0.905 427 S CB 1.784 64.959 63.200 -0.043 0.000 1.081 427 S HN 2.642 nan 8.310 nan 0.000 0.477 428 G N 2.029 110.843 108.800 0.023 0.000 2.331 428 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.479 428 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.479 428 G C 0.306 175.231 174.900 0.041 0.000 1.262 428 G CA -0.077 45.049 45.100 0.043 0.000 1.029 428 G HN 0.640 nan 8.290 nan 0.000 0.487 429 N N -0.670 118.066 118.700 0.059 0.000 2.025 429 N HA -0.109 4.631 4.740 -0.000 0.000 0.194 429 N C 2.042 177.597 175.510 0.076 0.000 1.044 429 N CA 2.182 55.278 53.050 0.078 0.000 0.851 429 N CB -0.153 38.402 38.487 0.113 0.000 1.036 429 N HN 1.031 nan 8.380 nan 0.000 0.422 430 L N -2.700 118.576 121.223 0.087 0.000 3.898 430 L HA -0.268 4.072 4.340 -0.000 0.000 0.382 430 L C 1.724 178.633 176.870 0.065 0.000 0.711 430 L CA 0.901 55.767 54.840 0.044 0.000 2.828 430 L CB -1.999 40.039 42.059 -0.034 0.000 0.852 430 L HN 0.379 nan 8.230 nan 0.000 0.694 431 G N -0.358 108.490 108.800 0.081 0.000 2.626 431 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.224 431 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.224 431 G C 0.740 175.543 174.900 -0.162 0.000 1.095 431 G CA 1.929 46.995 45.100 -0.056 0.000 0.738 431 G HN 0.718 nan 8.290 nan 0.000 0.600 432 H N -1.092 117.992 119.070 0.023 0.000 2.652 432 H HA 0.275 4.830 4.556 -0.000 0.000 0.274 432 H C 0.748 176.088 175.328 0.021 0.000 1.021 432 H CA 0.217 56.281 56.048 0.027 0.000 1.187 432 H CB 0.173 29.951 29.762 0.028 0.000 1.505 432 H HN 0.101 nan 8.280 nan 0.000 0.530 433 T N 4.504 119.124 114.554 0.109 0.000 2.897 433 T HA 0.211 4.561 4.350 -0.000 0.000 0.294 433 T C -2.103 172.586 174.700 -0.019 0.000 1.004 433 T CA -1.235 60.883 62.100 0.030 0.000 1.106 433 T CB 1.644 70.494 68.868 -0.029 0.000 0.949 433 T HN 0.176 nan 8.240 nan 0.000 0.520 434 P HA 0.491 nan 4.420 nan 0.000 0.281 434 P C -1.135 176.174 177.300 0.014 0.000 1.281 434 P CA -0.611 62.551 63.100 0.104 0.000 0.811 434 P CB 0.795 32.554 31.700 0.099 0.000 1.154 435 F N -1.578 118.365 119.950 -0.013 0.000 2.523 435 F HA 0.171 4.698 4.527 -0.000 0.000 0.329 435 F C 1.860 177.635 175.800 -0.041 0.000 1.061 435 F CA -0.803 57.184 58.000 -0.022 0.000 0.967 435 F CB 0.381 39.371 39.000 -0.016 0.000 1.218 435 F HN 0.064 nan 8.300 nan 0.000 0.480 436 V N -1.253 118.746 119.914 0.142 0.000 2.453 436 V HA -0.263 3.857 4.120 -0.000 0.000 0.252 436 V C 1.736 177.857 176.094 0.046 0.000 1.068 436 V CA 2.137 64.460 62.300 0.038 0.000 1.070 436 V CB -0.810 31.022 31.823 0.016 0.000 0.664 436 V HN 0.947 nan 8.190 nan 0.000 0.461 437 D N 0.888 121.333 120.400 0.076 0.000 2.378 437 D HA -0.205 4.435 4.640 -0.000 0.000 0.222 437 D C 1.572 177.892 176.300 0.032 0.000 0.980 437 D CA 1.439 55.458 54.000 0.032 0.000 0.907 437 D CB -0.139 40.654 40.800 -0.012 0.000 0.899 437 D HN 0.752 nan 8.370 nan 0.000 0.527 438 E N 0.150 120.386 120.200 0.059 0.000 2.526 438 E HA 0.257 4.607 4.350 -0.000 0.000 0.208 438 E C 0.336 176.960 176.600 0.040 0.000 0.997 438 E CA -0.372 56.062 56.400 0.058 0.000 0.961 438 E CB 0.880 30.636 29.700 0.094 0.000 1.030 438 E HN 0.178 nan 8.360 nan 0.000 0.483 439 L N 0.000 121.222 121.223 -0.001 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.765 54.840 -0.125 0.000 0.813 439 L CB 0.000 42.094 42.059 0.058 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502