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 1gtm_1_B DATA FIRST_RESID 3 DATA SEQUENCE ADPYEIVIKQ LERAAQYMEI SEEALEFLKR PQRIVEVTIP VEMDDGSVKV DATA SEQUENCE FTGFRVQHNW ARGPTKGGIR WHPEETLSTV KALAAWMTWK TAVMDLPYGG DATA SEQUENCE GKGGIIVDPK KLSDREKERL ARGYIRAIYD VISPYEDIPA PDVYTNPQIM DATA SEQUENCE AWMMDEYETI SRRKTPAFGI ITGKPLSIGG SLGRIEATAR GASYTIREAA DATA SEQUENCE KVLGWDTLKG KTIAIQGYGN AGYYLAKIMS EDFGMKVVAV SDSKGGIYNP DATA SEQUENCE DGLNADEVLK WKNEHGSVKD FPGATNITNE ELLELEVDVL APAAIEEVIT DATA SEQUENCE KKNADNIKAK IVAEVANGPV TPEADEILFE KGILQIPDFL CNAGGVTVSY DATA SEQUENCE FEWVQNITGY YWTIEEVRER LDKKMTKAFY DVYNIAKEKN IHMRDAAYVV DATA SEQUENCE AVQRVYQAML DRGWVKH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.648 177.584 0.106 0.000 1.274 3 A CA 0.000 52.112 52.037 0.126 0.000 0.836 3 A CB 0.000 19.082 19.000 0.136 0.000 0.831 4 D N 1.547 121.976 120.400 0.049 0.000 2.370 4 D HA -0.215 4.425 4.640 -0.000 0.000 0.190 4 D C -0.329 175.980 176.300 0.016 0.000 1.019 4 D CA 3.199 57.213 54.000 0.022 0.000 0.869 4 D CB -0.331 40.476 40.800 0.011 0.000 0.944 4 D HN 0.399 nan 8.370 nan 0.000 0.456 5 P HA -0.147 nan 4.420 nan 0.000 0.214 5 P C 1.324 178.653 177.300 0.049 0.000 1.162 5 P CA 1.321 64.429 63.100 0.013 0.000 0.879 5 P CB -0.390 31.316 31.700 0.009 0.000 0.786 6 Y N 1.258 121.536 120.300 -0.037 0.000 2.165 6 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 6 Y C 2.430 178.326 175.900 -0.007 0.000 1.155 6 Y CA 1.577 59.663 58.100 -0.024 0.000 1.164 6 Y CB -0.786 37.656 38.460 -0.030 0.000 0.978 6 Y HN -0.005 nan 8.280 nan 0.000 0.513 7 E N -0.428 119.754 120.200 -0.031 0.000 2.077 7 E HA -0.206 4.143 4.350 -0.000 0.000 0.193 7 E C 2.047 178.575 176.600 -0.121 0.000 0.989 7 E CA 1.418 57.767 56.400 -0.084 0.000 0.800 7 E CB -0.382 29.300 29.700 -0.029 0.000 0.746 7 E HN 0.558 nan 8.360 nan 0.000 0.452 8 I N -0.736 119.784 120.570 -0.084 0.000 2.623 8 I HA -0.166 4.003 4.170 -0.000 0.000 0.261 8 I C 1.816 177.871 176.117 -0.103 0.000 1.204 8 I CA 0.982 62.235 61.300 -0.079 0.000 1.444 8 I CB -1.085 36.885 38.000 -0.050 0.000 1.094 8 I HN -0.101 nan 8.210 nan 0.000 0.451 9 V N 0.516 120.324 119.914 -0.177 0.000 2.407 9 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 9 V C 2.580 178.576 176.094 -0.165 0.000 1.041 9 V CA 1.369 63.581 62.300 -0.146 0.000 1.040 9 V CB -0.377 31.240 31.823 -0.342 0.000 0.671 9 V HN 0.312 nan 8.190 nan 0.000 0.455 10 I N 0.283 120.704 120.570 -0.249 0.000 2.151 10 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 10 I C 2.305 178.338 176.117 -0.139 0.000 1.080 10 I CA 1.418 62.621 61.300 -0.161 0.000 1.339 10 I CB -0.942 36.974 38.000 -0.139 0.000 1.039 10 I HN 0.285 nan 8.210 nan 0.000 0.409 11 K N -0.162 120.156 120.400 -0.137 0.000 2.000 11 K HA -0.275 4.045 4.320 -0.000 0.000 0.218 11 K C 2.145 178.630 176.600 -0.190 0.000 1.053 11 K CA 1.670 57.876 56.287 -0.135 0.000 0.946 11 K CB -0.387 32.047 32.500 -0.110 0.000 0.723 11 K HN 0.297 nan 8.250 nan 0.000 0.446 12 Q N 0.570 120.228 119.800 -0.236 0.000 2.133 12 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 12 Q C 2.210 177.897 176.000 -0.523 0.000 0.991 12 Q CA 1.428 56.958 55.803 -0.454 0.000 0.867 12 Q CB -0.498 27.959 28.738 -0.470 0.000 0.911 12 Q HN 0.245 nan 8.270 nan 0.000 0.417 13 L N 1.278 122.301 121.223 -0.333 0.000 2.056 13 L HA -0.134 4.205 4.340 -0.000 0.000 0.207 13 L C 1.901 178.634 176.870 -0.230 0.000 1.078 13 L CA 1.766 56.431 54.840 -0.291 0.000 0.749 13 L CB -0.438 41.548 42.059 -0.122 0.000 0.901 13 L HN 0.194 nan 8.230 nan 0.000 0.433 14 E N -1.021 119.068 120.200 -0.185 0.000 2.204 14 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 14 E C 2.216 178.715 176.600 -0.168 0.000 0.990 14 E CA 0.550 56.857 56.400 -0.154 0.000 0.821 14 E CB -0.086 29.540 29.700 -0.124 0.000 0.750 14 E HN 0.420 nan 8.360 nan 0.000 0.477 15 R N 0.598 120.985 120.500 -0.189 0.000 2.061 15 R HA -0.066 4.274 4.340 -0.000 0.000 0.230 15 R C 2.359 178.622 176.300 -0.063 0.000 1.140 15 R CA 1.187 57.198 56.100 -0.147 0.000 0.940 15 R CB -0.284 29.913 30.300 -0.171 0.000 0.839 15 R HN 0.123 nan 8.270 nan 0.000 0.429 16 A N 0.879 123.638 122.820 -0.101 0.000 1.986 16 A HA -0.170 4.149 4.320 -0.000 0.000 0.220 16 A C 2.252 179.837 177.584 0.003 0.000 1.171 16 A CA 1.832 53.887 52.037 0.031 0.000 0.640 16 A CB -0.603 18.341 19.000 -0.093 0.000 0.811 16 A HN 0.523 nan 8.150 nan 0.000 0.451 17 A N -0.990 121.763 122.820 -0.110 0.000 2.070 17 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 17 A C 2.053 179.538 177.584 -0.165 0.000 1.159 17 A CA 1.556 53.515 52.037 -0.129 0.000 0.656 17 A CB -0.473 18.440 19.000 -0.144 0.000 0.800 17 A HN 0.683 nan 8.150 nan 0.000 0.453 18 Q N -1.752 117.879 119.800 -0.281 0.000 2.167 18 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 18 Q C 0.751 176.453 176.000 -0.496 0.000 0.970 18 Q CA 1.484 56.996 55.803 -0.486 0.000 0.855 18 Q CB -0.153 27.948 28.738 -1.063 0.000 0.911 18 Q HN 0.907 nan 8.270 nan 0.000 0.438 19 Y N -0.410 119.844 120.300 -0.076 0.000 2.493 19 Y HA 0.227 4.776 4.550 -0.000 0.000 0.275 19 Y C 0.622 176.492 175.900 -0.049 0.000 1.183 19 Y CA -0.272 57.792 58.100 -0.060 0.000 1.258 19 Y CB 0.102 38.524 38.460 -0.063 0.000 1.108 19 Y HN 0.089 nan 8.280 nan 0.000 0.521 20 M N -1.668 117.959 119.600 0.046 0.000 2.644 20 M HA 0.514 4.994 4.480 -0.000 0.000 0.273 20 M C -1.424 174.872 176.300 -0.006 0.000 1.253 20 M CA -1.115 54.205 55.300 0.034 0.000 0.852 20 M CB 2.401 35.026 32.600 0.042 0.000 1.708 20 M HN -0.087 nan 8.290 nan 0.000 0.471 21 E N 1.695 121.908 120.200 0.022 0.000 2.146 21 E HA 0.750 5.099 4.350 -0.000 0.000 0.282 21 E C -1.798 174.818 176.600 0.027 0.000 0.989 21 E CA -0.563 55.849 56.400 0.019 0.000 0.799 21 E CB 1.444 31.175 29.700 0.052 0.000 1.088 21 E HN 0.699 nan 8.360 nan 0.000 0.397 22 I N 3.406 123.934 120.570 -0.069 0.000 2.722 22 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 22 I C -0.732 175.285 176.117 -0.167 0.000 1.267 22 I CA -0.569 60.580 61.300 -0.252 0.000 1.036 22 I CB 1.850 39.546 38.000 -0.507 0.000 1.281 22 I HN 0.763 nan 8.210 nan 0.000 0.423 23 S N 5.142 120.777 115.700 -0.109 0.000 2.589 23 S HA 0.214 4.683 4.470 -0.000 0.000 0.265 23 S C 0.787 175.364 174.600 -0.040 0.000 1.342 23 S CA -0.324 57.873 58.200 -0.004 0.000 1.005 23 S CB 1.297 64.580 63.200 0.139 0.000 0.909 23 S HN 0.751 nan 8.310 nan 0.000 0.555 24 E N 0.832 121.034 120.200 0.003 0.000 2.106 24 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 24 E C 1.892 178.523 176.600 0.052 0.000 0.984 24 E CA 1.122 57.528 56.400 0.011 0.000 0.806 24 E CB -0.287 29.421 29.700 0.013 0.000 0.750 24 E HN 0.897 nan 8.360 nan 0.000 0.458 25 E N 0.595 120.851 120.200 0.094 0.000 2.049 25 E HA -0.240 4.109 4.350 -0.000 0.000 0.198 25 E C 1.997 178.698 176.600 0.169 0.000 1.007 25 E CA 1.424 57.913 56.400 0.147 0.000 0.809 25 E CB -0.049 29.769 29.700 0.197 0.000 0.749 25 E HN 0.204 nan 8.360 nan 0.000 0.450 26 A N 0.883 123.775 122.820 0.119 0.000 1.858 26 A HA -0.179 4.140 4.320 -0.000 0.000 0.216 26 A C 2.241 179.889 177.584 0.106 0.000 1.190 26 A CA 1.202 53.296 52.037 0.094 0.000 0.617 26 A CB -0.781 18.161 19.000 -0.098 0.000 0.827 26 A HN 0.311 nan 8.150 nan 0.000 0.443 27 L N -0.583 120.650 121.223 0.016 0.000 2.013 27 L HA -0.222 4.117 4.340 -0.000 0.000 0.212 27 L C 2.752 179.687 176.870 0.108 0.000 1.073 27 L CA 1.740 56.598 54.840 0.031 0.000 0.753 27 L CB -0.645 41.404 42.059 -0.018 0.000 0.890 27 L HN 0.402 nan 8.230 nan 0.000 0.432 28 E N -0.545 119.719 120.200 0.107 0.000 2.110 28 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 28 E C 1.944 178.635 176.600 0.152 0.000 0.988 28 E CA 1.085 57.548 56.400 0.106 0.000 0.804 28 E CB -0.372 29.376 29.700 0.080 0.000 0.745 28 E HN 0.363 nan 8.360 nan 0.000 0.458 29 F N 1.098 121.078 119.950 0.049 0.000 2.134 29 F HA -0.127 4.399 4.527 -0.001 0.000 0.299 29 F C 2.128 177.964 175.800 0.060 0.000 1.097 29 F CA 1.021 59.043 58.000 0.037 0.000 1.264 29 F CB -0.126 38.911 39.000 0.062 0.000 1.001 29 F HN -0.055 nan 8.300 nan 0.000 0.479 30 L N -0.187 121.303 121.223 0.445 0.000 2.275 30 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 30 L C 2.058 179.207 176.870 0.465 0.000 1.119 30 L CA 1.114 56.224 54.840 0.450 0.000 0.790 30 L CB -0.517 41.808 42.059 0.442 0.000 0.919 30 L HN 0.046 nan 8.230 nan 0.000 0.443 31 K N -0.110 120.470 120.400 0.300 0.000 2.486 31 K HA 0.048 4.367 4.320 -0.000 0.000 0.194 31 K C 0.214 177.021 176.600 0.346 0.000 1.033 31 K CA 0.409 56.854 56.287 0.264 0.000 1.004 31 K CB 0.215 32.802 32.500 0.145 0.000 0.798 31 K HN 0.267 nan 8.250 nan 0.000 0.495 32 R N 1.169 121.814 120.500 0.241 0.000 2.599 32 R HA 0.277 4.617 4.340 -0.000 0.000 0.295 32 R C -2.714 173.624 176.300 0.064 0.000 0.963 32 R CA -2.152 54.028 56.100 0.133 0.000 0.883 32 R CB 1.501 31.763 30.300 -0.063 0.000 1.171 32 R HN -0.099 nan 8.270 nan 0.000 0.450 33 P HA 0.045 nan 4.420 nan 0.000 0.275 33 P C -0.293 176.907 177.300 -0.167 0.000 1.227 33 P CA -0.107 63.000 63.100 0.011 0.000 0.781 33 P CB 0.971 32.706 31.700 0.057 0.000 0.906 34 Q N 1.126 120.768 119.800 -0.264 0.000 2.079 34 Q HA -0.086 4.253 4.340 -0.000 0.000 0.200 34 Q C 0.942 176.879 176.000 -0.106 0.000 0.974 34 Q CA 1.341 56.927 55.803 -0.363 0.000 0.840 34 Q CB 0.154 28.407 28.738 -0.809 0.000 0.898 34 Q HN 0.423 nan 8.270 nan 0.000 0.430 35 R N -0.064 120.475 120.500 0.065 0.000 2.548 35 R HA 0.496 4.836 4.340 -0.000 0.000 0.280 35 R C -1.887 174.472 176.300 0.098 0.000 1.061 35 R CA -0.292 55.889 56.100 0.135 0.000 0.915 35 R CB 1.264 31.738 30.300 0.291 0.000 1.210 35 R HN -0.026 nan 8.270 nan 0.000 0.442 36 I N 4.103 124.707 120.570 0.057 0.000 2.498 36 I HA 0.418 4.588 4.170 -0.000 0.000 0.290 36 I C -0.864 175.295 176.117 0.069 0.000 1.032 36 I CA -1.106 60.226 61.300 0.053 0.000 1.073 36 I CB 2.395 40.400 38.000 0.008 0.000 1.251 36 I HN 0.251 nan 8.210 nan 0.000 0.426 37 V N 5.173 125.146 119.914 0.097 0.000 2.483 37 V HA 0.389 4.509 4.120 -0.000 0.000 0.297 37 V C -0.424 175.766 176.094 0.160 0.000 1.027 37 V CA -0.591 61.764 62.300 0.092 0.000 0.855 37 V CB 1.812 33.664 31.823 0.048 0.000 0.995 37 V HN 0.760 nan 8.190 nan 0.000 0.424 38 E N 4.307 124.602 120.200 0.158 0.000 2.176 38 E HA 0.739 5.088 4.350 -0.000 0.000 0.267 38 E C -1.197 175.446 176.600 0.071 0.000 0.893 38 E CA -0.548 55.978 56.400 0.211 0.000 0.761 38 E CB 2.157 32.034 29.700 0.295 0.000 1.133 38 E HN 0.615 nan 8.360 nan 0.000 0.409 39 V N 0.669 120.583 119.914 -0.000 0.000 3.102 39 V HA 0.643 4.763 4.120 -0.000 0.000 0.312 39 V C -0.306 175.768 176.094 -0.033 0.000 1.135 39 V CA -0.835 61.458 62.300 -0.012 0.000 1.022 39 V CB 1.826 33.640 31.823 -0.015 0.000 1.056 39 V HN 0.624 nan 8.190 nan 0.000 0.436 40 T N 3.213 117.758 114.554 -0.014 0.000 2.749 40 T HA 0.685 5.035 4.350 -0.000 0.000 0.287 40 T C -0.295 174.414 174.700 0.014 0.000 0.970 40 T CA 0.111 62.202 62.100 -0.016 0.000 0.980 40 T CB 0.515 69.370 68.868 -0.022 0.000 0.924 40 T HN 0.576 nan 8.240 nan 0.000 0.456 41 I N 7.027 127.629 120.570 0.052 0.000 2.330 41 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 41 I C -2.133 174.056 176.117 0.119 0.000 1.001 41 I CA -2.450 58.903 61.300 0.088 0.000 1.193 41 I CB 1.654 39.724 38.000 0.115 0.000 1.345 41 I HN 0.317 nan 8.210 nan 0.000 0.461 42 P HA 0.280 nan 4.420 nan 0.000 0.290 42 P C -0.836 176.519 177.300 0.092 0.000 1.276 42 P CA -0.378 62.760 63.100 0.063 0.000 0.808 42 P CB 1.787 33.499 31.700 0.019 0.000 0.966 43 V N 3.035 123.031 119.914 0.137 0.000 2.487 43 V HA 0.248 4.368 4.120 -0.000 0.000 0.298 43 V C 0.435 176.572 176.094 0.071 0.000 1.028 43 V CA -0.769 61.598 62.300 0.111 0.000 0.860 43 V CB 1.711 33.639 31.823 0.175 0.000 0.991 43 V HN 0.547 nan 8.190 nan 0.000 0.427 44 E N 5.460 125.675 120.200 0.025 0.000 2.166 44 E HA 0.228 4.577 4.350 -0.000 0.000 0.279 44 E C -0.279 176.326 176.600 0.007 0.000 1.095 44 E CA -0.500 55.905 56.400 0.008 0.000 0.888 44 E CB 0.494 30.189 29.700 -0.009 0.000 1.041 44 E HN 0.494 nan 8.360 nan 0.000 0.414 45 M N 3.018 122.628 119.600 0.015 0.000 2.197 45 M HA 0.072 4.552 4.480 -0.000 0.000 0.305 45 M C 0.789 177.088 176.300 -0.002 0.000 1.162 45 M CA -0.228 55.080 55.300 0.013 0.000 1.099 45 M CB 0.260 32.875 32.600 0.026 0.000 1.430 45 M HN 0.450 nan 8.290 nan 0.000 0.481 46 D N 1.296 121.693 120.400 -0.004 0.000 2.178 46 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 46 D C 1.068 177.363 176.300 -0.007 0.000 0.980 46 D CA 1.443 55.438 54.000 -0.009 0.000 0.842 46 D CB -0.250 40.545 40.800 -0.008 0.000 0.948 46 D HN 0.654 nan 8.370 nan 0.000 0.472 47 D N -0.974 119.423 120.400 -0.005 0.000 2.363 47 D HA 0.090 4.730 4.640 -0.000 0.000 0.226 47 D C 1.460 177.755 176.300 -0.008 0.000 1.020 47 D CA 0.796 54.792 54.000 -0.007 0.000 0.892 47 D CB -0.385 40.411 40.800 -0.007 0.000 0.900 47 D HN 0.163 nan 8.370 nan 0.000 0.531 48 G N -0.157 108.638 108.800 -0.008 0.000 2.148 48 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 48 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 48 G C 0.349 175.243 174.900 -0.011 0.000 0.981 48 G CA 0.550 45.644 45.100 -0.010 0.000 0.670 48 G HN 0.847 nan 8.290 nan 0.000 0.528 49 S N -1.249 114.445 115.700 -0.010 0.000 2.654 49 S HA 0.784 5.253 4.470 -0.000 0.000 0.283 49 S C 0.077 174.669 174.600 -0.012 0.000 1.180 49 S CA -0.552 57.639 58.200 -0.015 0.000 1.021 49 S CB 2.801 65.990 63.200 -0.019 0.000 1.018 49 S HN 0.863 nan 8.310 nan 0.000 0.532 50 V N 1.784 121.687 119.914 -0.019 0.000 2.465 50 V HA 0.489 4.609 4.120 -0.000 0.000 0.279 50 V C 0.155 176.226 176.094 -0.039 0.000 1.045 50 V CA -0.419 61.871 62.300 -0.017 0.000 0.938 50 V CB 1.179 32.991 31.823 -0.018 0.000 0.986 50 V HN 0.957 nan 8.190 nan 0.000 0.467 51 K N 3.673 124.057 120.400 -0.026 0.000 2.345 51 K HA 0.683 5.002 4.320 -0.000 0.000 0.255 51 K C -0.886 175.580 176.600 -0.223 0.000 0.934 51 K CA -0.669 55.533 56.287 -0.141 0.000 0.801 51 K CB 2.037 34.463 32.500 -0.123 0.000 1.137 51 K HN 0.584 nan 8.250 nan 0.000 0.424 52 V N 1.165 120.864 119.914 -0.359 0.000 2.439 52 V HA 0.625 4.745 4.120 -0.000 0.000 0.282 52 V C -0.853 174.864 176.094 -0.629 0.000 1.039 52 V CA -0.457 61.656 62.300 -0.311 0.000 0.913 52 V CB 0.333 32.060 31.823 -0.160 0.000 0.983 52 V HN 0.565 nan 8.190 nan 0.000 0.460 53 F N 1.182 121.068 119.950 -0.108 0.000 2.561 53 F HA 0.684 5.211 4.527 -0.000 0.000 0.321 53 F C 0.694 176.402 175.800 -0.155 0.000 1.065 53 F CA -0.605 57.309 58.000 -0.144 0.000 0.934 53 F CB 2.450 41.333 39.000 -0.196 0.000 1.215 53 F HN 0.504 nan 8.300 nan 0.000 0.471 54 T N 1.256 115.797 114.554 -0.022 0.000 2.795 54 T HA 0.651 5.001 4.350 -0.000 0.000 0.282 54 T C 0.055 174.530 174.700 -0.374 0.000 0.980 54 T CA -0.611 61.380 62.100 -0.183 0.000 1.012 54 T CB 1.152 69.903 68.868 -0.195 0.000 0.936 54 T HN 0.837 nan 8.240 nan 0.000 0.457 55 G N 1.761 110.299 108.800 -0.435 0.000 2.605 55 G HA2 0.792 4.752 3.960 -0.000 0.000 0.296 55 G HA3 0.792 4.752 3.960 -0.000 0.000 0.296 55 G C -1.757 172.829 174.900 -0.523 0.000 1.304 55 G CA -0.723 44.125 45.100 -0.420 0.000 0.941 55 G HN 0.531 nan 8.290 nan 0.000 0.475 56 F N -0.963 119.154 119.950 0.279 0.000 2.645 56 F HA 0.801 5.328 4.527 -0.000 0.000 0.310 56 F C -0.137 175.809 175.800 0.243 0.000 1.102 56 F CA -1.110 57.003 58.000 0.189 0.000 0.952 56 F CB 2.798 41.872 39.000 0.124 0.000 1.326 56 F HN 0.508 nan 8.300 nan 0.000 0.456 57 R N 1.026 121.733 120.500 0.345 0.000 2.514 57 R HA 0.788 5.128 4.340 -0.000 0.000 0.296 57 R C -2.377 174.024 176.300 0.169 0.000 1.012 57 R CA -0.472 55.772 56.100 0.240 0.000 0.897 57 R CB 1.760 32.132 30.300 0.121 0.000 1.184 57 R HN 0.550 nan 8.270 nan 0.000 0.440 58 V N 5.201 125.201 119.914 0.143 0.000 2.417 58 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 58 V C -0.359 175.808 176.094 0.122 0.000 1.024 58 V CA -0.630 61.731 62.300 0.100 0.000 0.861 58 V CB 1.749 33.599 31.823 0.045 0.000 0.985 58 V HN 0.712 nan 8.190 nan 0.000 0.436 59 Q N 3.409 123.304 119.800 0.158 0.000 2.506 59 Q HA 0.283 4.623 4.340 -0.000 0.000 0.242 59 Q C 0.878 177.017 176.000 0.232 0.000 1.060 59 Q CA -0.393 55.552 55.803 0.237 0.000 0.826 59 Q CB 0.838 29.779 28.738 0.338 0.000 1.169 59 Q HN 0.839 nan 8.270 nan 0.000 0.521 60 H N 2.785 121.907 119.070 0.088 0.000 2.270 60 H HA -0.031 4.524 4.556 -0.000 0.000 0.299 60 H C -0.071 175.272 175.328 0.024 0.000 1.077 60 H CA 1.280 57.344 56.048 0.026 0.000 1.294 60 H CB 0.776 30.517 29.762 -0.035 0.000 1.371 60 H HN 0.466 nan 8.280 nan 0.000 0.491 61 N N -1.123 117.489 118.700 -0.146 0.000 2.406 61 N HA -0.012 4.727 4.740 -0.000 0.000 0.283 61 N C -1.400 174.208 175.510 0.165 0.000 1.074 61 N CA -0.391 52.576 53.050 -0.138 0.000 0.916 61 N CB 0.900 39.273 38.487 -0.190 0.000 1.639 61 N HN 0.407 nan 8.380 nan 0.000 0.485 62 W N 3.187 124.641 121.300 0.256 0.000 2.506 62 W HA 0.597 5.257 4.660 -0.001 0.000 0.394 62 W C 0.806 177.449 176.519 0.207 0.000 0.920 62 W CA -0.363 57.111 57.345 0.215 0.000 2.221 62 W CB -0.470 29.112 29.460 0.203 0.000 1.197 62 W HN 0.554 nan 8.180 nan 0.000 0.627 63 A N 1.899 124.791 122.820 0.121 0.000 1.908 63 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 63 A C 2.116 179.627 177.584 -0.121 0.000 1.181 63 A CA 1.460 53.311 52.037 -0.310 0.000 0.627 63 A CB -0.331 18.403 19.000 -0.443 0.000 0.818 63 A HN 0.401 nan 8.150 nan 0.000 0.445 64 R N -0.978 119.530 120.500 0.013 0.000 2.300 64 R HA 0.299 4.639 4.340 -0.000 0.000 0.199 64 R C 0.739 177.091 176.300 0.086 0.000 0.920 64 R CA 0.676 56.790 56.100 0.023 0.000 1.046 64 R CB 0.108 30.426 30.300 0.029 0.000 0.984 64 R HN 0.587 nan 8.270 nan 0.000 0.493 65 G N 1.145 110.047 108.800 0.171 0.000 2.359 65 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.293 65 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.293 65 G C -3.135 171.909 174.900 0.241 0.000 1.300 65 G CA -1.240 43.983 45.100 0.205 0.000 0.888 65 G HN -0.245 nan 8.290 nan 0.000 0.541 66 P HA 0.260 nan 4.420 nan 0.000 0.265 66 P C 0.806 178.089 177.300 -0.027 0.000 1.187 66 P CA 0.376 63.513 63.100 0.060 0.000 0.766 66 P CB 0.182 31.873 31.700 -0.014 0.000 0.820 67 T N -0.341 114.190 114.554 -0.038 0.000 2.899 67 T HA 0.461 4.810 4.350 -0.000 0.000 0.295 67 T C -0.129 174.397 174.700 -0.290 0.000 1.033 67 T CA -0.385 61.677 62.100 -0.063 0.000 1.084 67 T CB 0.642 69.549 68.868 0.066 0.000 0.979 67 T HN 0.241 nan 8.240 nan 0.000 0.532 68 K N 0.278 120.493 120.400 -0.309 0.000 2.482 68 K HA 0.716 5.036 4.320 -0.000 0.000 0.251 68 K C -0.502 175.978 176.600 -0.200 0.000 0.936 68 K CA -0.072 55.956 56.287 -0.431 0.000 0.791 68 K CB 1.743 33.787 32.500 -0.761 0.000 1.213 68 K HN 1.281 nan 8.250 nan 0.000 0.428 69 G N 1.010 109.721 108.800 -0.147 0.000 2.386 69 G HA2 0.406 4.365 3.960 -0.000 0.000 0.302 69 G HA3 0.406 4.365 3.960 -0.000 0.000 0.302 69 G C -0.592 174.288 174.900 -0.033 0.000 1.629 69 G CA -0.389 44.674 45.100 -0.061 0.000 0.917 69 G HN 0.730 nan 8.290 nan 0.000 0.676 70 G N -1.003 107.787 108.800 -0.017 0.000 2.634 70 G HA2 0.564 4.524 3.960 -0.000 0.000 0.255 70 G HA3 0.564 4.524 3.960 -0.000 0.000 0.255 70 G C -0.160 174.748 174.900 0.014 0.000 1.205 70 G CA -0.547 44.542 45.100 -0.017 0.000 0.884 70 G HN 0.777 nan 8.290 nan 0.000 0.549 71 I N 0.067 120.629 120.570 -0.014 0.000 2.406 71 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 71 I C -0.092 176.023 176.117 -0.004 0.000 0.999 71 I CA -0.603 60.704 61.300 0.011 0.000 1.124 71 I CB 2.067 40.042 38.000 -0.041 0.000 1.289 71 I HN 0.349 nan 8.210 nan 0.000 0.441 72 R N 4.794 125.358 120.500 0.107 0.000 2.407 72 R HA 0.446 4.786 4.340 -0.000 0.000 0.303 72 R C -1.627 174.926 176.300 0.420 0.000 0.981 72 R CA -0.523 55.674 56.100 0.162 0.000 0.905 72 R CB 1.449 31.826 30.300 0.128 0.000 1.099 72 R HN 0.408 nan 8.270 nan 0.000 0.459 73 W N 3.867 125.235 121.300 0.115 0.000 2.296 73 W HA 0.327 4.987 4.660 -0.000 0.000 0.316 73 W C -0.111 176.602 176.519 0.323 0.000 1.022 73 W CA -0.253 57.175 57.345 0.140 0.000 1.324 73 W CB 0.482 29.995 29.460 0.088 0.000 1.227 73 W HN 0.439 nan 8.180 nan 0.000 0.409 74 H N 4.751 123.999 119.070 0.297 0.000 3.086 74 H HA 0.153 4.709 4.556 -0.000 0.000 0.353 74 H C -1.942 173.488 175.328 0.169 0.000 1.134 74 H CA -1.602 54.615 56.048 0.281 0.000 1.248 74 H CB 3.122 33.031 29.762 0.245 0.000 1.878 74 H HN -0.006 nan 8.280 nan 0.000 0.527 75 P HA -0.052 nan 4.420 nan 0.000 0.222 75 P C 0.177 177.411 177.300 -0.111 0.000 1.147 75 P CA 1.103 64.038 63.100 -0.275 0.000 0.790 75 P CB 0.397 31.939 31.700 -0.263 0.000 0.780 76 E N -0.930 119.253 120.200 -0.029 0.000 2.685 76 E HA 0.099 4.449 4.350 -0.000 0.000 0.208 76 E C 0.041 176.856 176.600 0.358 0.000 0.996 76 E CA -0.349 56.204 56.400 0.255 0.000 1.054 76 E CB 0.061 29.978 29.700 0.361 0.000 1.075 76 E HN 0.050 nan 8.360 nan 0.000 0.460 77 E N 1.721 122.166 120.200 0.408 0.000 2.418 77 E HA 0.058 4.408 4.350 -0.000 0.000 0.261 77 E C -0.128 176.625 176.600 0.255 0.000 1.070 77 E CA 0.314 56.905 56.400 0.319 0.000 0.931 77 E CB 0.628 30.543 29.700 0.359 0.000 0.954 77 E HN 0.158 nan 8.360 nan 0.000 0.439 78 T N 0.442 115.087 114.554 0.152 0.000 2.896 78 T HA 0.294 4.644 4.350 -0.000 0.000 0.297 78 T C 0.615 175.191 174.700 -0.207 0.000 1.108 78 T CA -0.774 61.358 62.100 0.053 0.000 1.004 78 T CB 0.750 69.627 68.868 0.016 0.000 1.159 78 T HN 0.329 nan 8.240 nan 0.000 0.499 79 L N 1.457 122.390 121.223 -0.483 0.000 2.131 79 L HA 0.096 4.436 4.340 -0.000 0.000 0.210 79 L C 2.527 179.157 176.870 -0.399 0.000 1.092 79 L CA 1.872 56.228 54.840 -0.807 0.000 0.759 79 L CB -0.978 40.532 42.059 -0.915 0.000 0.903 79 L HN 0.824 nan 8.230 nan 0.000 0.435 80 S N -1.135 114.427 115.700 -0.230 0.000 2.383 80 S HA -0.190 4.279 4.470 -0.000 0.000 0.229 80 S C 1.808 176.367 174.600 -0.068 0.000 1.030 80 S CA 1.751 59.868 58.200 -0.138 0.000 1.002 80 S CB -0.352 62.819 63.200 -0.048 0.000 0.829 80 S HN 0.643 nan 8.310 nan 0.000 0.467 81 T N 1.472 115.984 114.554 -0.070 0.000 2.737 81 T HA -0.032 4.318 4.350 -0.000 0.000 0.265 81 T C 1.895 176.567 174.700 -0.046 0.000 1.038 81 T CA 1.248 63.324 62.100 -0.041 0.000 1.144 81 T CB -0.314 68.535 68.868 -0.031 0.000 0.866 81 T HN 0.207 nan 8.240 nan 0.000 0.434 82 V N 1.534 121.399 119.914 -0.082 0.000 2.343 82 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 82 V C 2.386 178.443 176.094 -0.060 0.000 1.051 82 V CA 1.584 63.852 62.300 -0.053 0.000 1.036 82 V CB -0.510 31.278 31.823 -0.058 0.000 0.654 82 V HN 0.468 nan 8.190 nan 0.000 0.451 83 K N 0.475 120.793 120.400 -0.137 0.000 2.026 83 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 83 K C 2.358 178.999 176.600 0.067 0.000 1.048 83 K CA 1.469 57.659 56.287 -0.161 0.000 0.929 83 K CB -0.485 31.684 32.500 -0.551 0.000 0.713 83 K HN 0.456 nan 8.250 nan 0.000 0.439 84 A N 1.476 124.410 122.820 0.190 0.000 1.908 84 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 84 A C 2.107 179.740 177.584 0.082 0.000 1.181 84 A CA 1.404 53.596 52.037 0.258 0.000 0.627 84 A CB -0.716 18.380 19.000 0.160 0.000 0.818 84 A HN 0.180 nan 8.150 nan 0.000 0.445 85 L N -1.043 120.191 121.223 0.018 0.000 2.291 85 L HA -0.103 4.237 4.340 -0.000 0.000 0.214 85 L C 2.956 179.847 176.870 0.036 0.000 1.120 85 L CA 0.690 55.537 54.840 0.011 0.000 0.799 85 L CB -0.479 41.566 42.059 -0.023 0.000 0.925 85 L HN 0.446 nan 8.230 nan 0.000 0.446 86 A N 0.288 123.112 122.820 0.007 0.000 1.897 86 A HA -0.068 4.251 4.320 -0.000 0.000 0.215 86 A C 2.576 180.070 177.584 -0.150 0.000 1.181 86 A CA 1.419 53.452 52.037 -0.007 0.000 0.620 86 A CB -0.584 18.448 19.000 0.053 0.000 0.821 86 A HN 0.341 nan 8.150 nan 0.000 0.443 87 A N -1.651 120.971 122.820 -0.329 0.000 1.933 87 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 87 A C 1.930 178.996 177.584 -0.865 0.000 1.175 87 A CA 1.529 53.011 52.037 -0.924 0.000 0.628 87 A CB -0.867 17.686 19.000 -0.744 0.000 0.814 87 A HN 0.722 nan 8.150 nan 0.000 0.444 88 W N -0.207 120.776 121.300 -0.528 0.000 2.338 88 W HA -0.175 4.484 4.660 -0.001 0.000 0.304 88 W C 2.306 178.599 176.519 -0.376 0.000 1.212 88 W CA 1.906 59.010 57.345 -0.403 0.000 1.264 88 W CB -0.265 29.104 29.460 -0.153 0.000 1.142 88 W HN 0.205 nan 8.180 nan 0.000 0.512 89 M N -0.718 118.831 119.600 -0.085 0.000 2.213 89 M HA -0.152 4.327 4.480 -0.000 0.000 0.263 89 M C 1.798 177.998 176.300 -0.167 0.000 1.062 89 M CA 1.662 56.917 55.300 -0.076 0.000 1.105 89 M CB -1.914 30.669 32.600 -0.028 0.000 1.385 89 M HN -0.107 nan 8.290 nan 0.000 0.417 90 T N -0.484 113.860 114.554 -0.351 0.000 2.746 90 T HA -0.183 4.166 4.350 -0.000 0.000 0.267 90 T C 1.560 176.118 174.700 -0.236 0.000 1.039 90 T CA 1.518 63.414 62.100 -0.340 0.000 1.142 90 T CB -0.346 68.204 68.868 -0.529 0.000 0.866 90 T HN 0.559 nan 8.240 nan 0.000 0.444 91 W N 1.375 122.576 121.300 -0.165 0.000 2.418 91 W HA 0.097 4.757 4.660 -0.000 0.000 0.292 91 W C 2.565 178.963 176.519 -0.202 0.000 1.213 91 W CA 0.124 57.294 57.345 -0.291 0.000 1.283 91 W CB -0.091 28.913 29.460 -0.761 0.000 1.119 91 W HN 0.132 nan 8.180 nan 0.000 0.542 92 K N 0.969 121.337 120.400 -0.053 0.000 2.097 92 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 92 K C 2.029 178.671 176.600 0.070 0.000 1.050 92 K CA 2.054 58.383 56.287 0.071 0.000 0.938 92 K CB -0.353 32.158 32.500 0.019 0.000 0.718 92 K HN 0.135 nan 8.250 nan 0.000 0.442 93 T N -1.824 112.757 114.554 0.045 0.000 2.951 93 T HA 0.058 4.408 4.350 -0.000 0.000 0.268 93 T C 1.966 176.685 174.700 0.033 0.000 1.073 93 T CA 0.761 62.889 62.100 0.048 0.000 1.134 93 T CB -0.129 68.795 68.868 0.093 0.000 0.884 93 T HN 0.234 nan 8.240 nan 0.000 0.479 94 A N 0.987 123.852 122.820 0.076 0.000 1.897 94 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 94 A C 2.562 180.182 177.584 0.059 0.000 1.181 94 A CA 1.040 53.126 52.037 0.082 0.000 0.620 94 A CB -1.132 17.965 19.000 0.161 0.000 0.821 94 A HN 0.343 nan 8.150 nan 0.000 0.443 95 V N 0.060 120.024 119.914 0.083 0.000 2.392 95 V HA -0.225 3.894 4.120 -0.000 0.000 0.249 95 V C 2.136 178.224 176.094 -0.009 0.000 1.059 95 V CA 2.116 64.434 62.300 0.030 0.000 1.051 95 V CB -0.440 31.392 31.823 0.016 0.000 0.658 95 V HN 0.538 nan 8.190 nan 0.000 0.455 96 M N -0.884 118.711 119.600 -0.007 0.000 2.618 96 M HA 0.130 4.610 4.480 -0.000 0.000 0.240 96 M C 1.006 177.275 176.300 -0.051 0.000 1.123 96 M CA 0.566 55.849 55.300 -0.029 0.000 1.060 96 M CB -1.302 31.272 32.600 -0.043 0.000 1.535 96 M HN 0.436 nan 8.290 nan 0.000 0.507 97 D N 1.552 121.927 120.400 -0.043 0.000 2.723 97 D HA -0.168 4.472 4.640 -0.000 0.000 0.236 97 D C -0.778 175.431 176.300 -0.152 0.000 1.138 97 D CA 0.442 54.405 54.000 -0.062 0.000 0.676 97 D CB -1.020 39.761 40.800 -0.033 0.000 1.069 97 D HN 0.331 nan 8.370 nan 0.000 0.430 98 L N -0.052 121.037 121.223 -0.223 0.000 2.379 98 L HA 0.471 4.810 4.340 -0.000 0.000 0.269 98 L C -1.395 175.242 176.870 -0.388 0.000 1.084 98 L CA -1.808 52.734 54.840 -0.497 0.000 0.802 98 L CB 0.907 42.606 42.059 -0.600 0.000 1.175 98 L HN -0.097 nan 8.230 nan 0.000 0.448 99 P HA 0.172 nan 4.420 nan 0.000 0.218 99 P C -1.379 175.832 177.300 -0.149 0.000 1.793 99 P CA 0.160 63.122 63.100 -0.231 0.000 0.941 99 P CB -0.189 31.444 31.700 -0.113 0.000 1.919 100 Y N -0.432 119.804 120.300 -0.108 0.000 2.615 100 Y HA 0.658 5.207 4.550 -0.001 0.000 0.341 100 Y C 0.898 176.779 175.900 -0.031 0.000 1.089 100 Y CA -1.334 56.705 58.100 -0.102 0.000 1.049 100 Y CB 1.429 39.787 38.460 -0.171 0.000 1.296 100 Y HN 0.070 nan 8.280 nan 0.000 0.470 101 G N -0.684 108.225 108.800 0.182 0.000 3.075 101 G HA2 0.589 4.549 3.960 -0.000 0.000 0.253 101 G HA3 0.589 4.549 3.960 -0.000 0.000 0.253 101 G C -0.791 174.146 174.900 0.061 0.000 1.353 101 G CA -0.677 44.504 45.100 0.136 0.000 1.051 101 G HN 0.808 nan 8.290 nan 0.000 0.553 102 G N -1.689 107.146 108.800 0.058 0.000 2.416 102 G HA2 0.678 4.637 3.960 -0.000 0.000 0.329 102 G HA3 0.678 4.637 3.960 -0.000 0.000 0.329 102 G C -0.331 174.600 174.900 0.052 0.000 1.173 102 G CA 0.115 45.220 45.100 0.008 0.000 0.929 102 G HN 1.040 nan 8.290 nan 0.000 0.475 103 G N -0.293 108.515 108.800 0.013 0.000 2.725 103 G HA2 0.704 4.663 3.960 -0.000 0.000 0.288 103 G HA3 0.704 4.663 3.960 -0.000 0.000 0.288 103 G C -1.553 173.369 174.900 0.036 0.000 1.399 103 G CA -0.779 44.349 45.100 0.047 0.000 0.859 103 G HN 0.718 nan 8.290 nan 0.000 0.479 104 K N -1.503 118.937 120.400 0.067 0.000 2.610 104 K HA 0.645 4.965 4.320 -0.000 0.000 0.278 104 K C -0.488 176.195 176.600 0.139 0.000 0.964 104 K CA -0.014 56.319 56.287 0.077 0.000 0.859 104 K CB 1.865 34.399 32.500 0.057 0.000 1.434 104 K HN 1.182 nan 8.250 nan 0.000 0.410 105 G N -0.166 108.739 108.800 0.174 0.000 2.680 105 G HA2 0.794 4.753 3.960 -0.000 0.000 0.290 105 G HA3 0.794 4.753 3.960 -0.000 0.000 0.290 105 G C -1.108 173.954 174.900 0.270 0.000 1.355 105 G CA -0.562 44.712 45.100 0.290 0.000 0.903 105 G HN 0.751 nan 8.290 nan 0.000 0.474 106 G N -1.139 107.879 108.800 0.363 0.000 2.673 106 G HA2 0.580 4.540 3.960 -0.000 0.000 0.292 106 G HA3 0.580 4.540 3.960 -0.000 0.000 0.292 106 G C -1.654 173.365 174.900 0.199 0.000 1.450 106 G CA -0.613 44.679 45.100 0.320 0.000 0.837 106 G HN 0.661 nan 8.290 nan 0.000 0.505 107 I N 0.909 121.532 120.570 0.089 0.000 2.533 107 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 107 I C -0.397 175.683 176.117 -0.061 0.000 1.056 107 I CA -0.799 60.412 61.300 -0.148 0.000 1.057 107 I CB 2.454 40.156 38.000 -0.496 0.000 1.240 107 I HN 0.272 nan 8.210 nan 0.000 0.423 108 I N 6.964 127.507 120.570 -0.045 0.000 2.294 108 I HA 0.322 4.492 4.170 -0.000 0.000 0.295 108 I C -0.349 175.787 176.117 0.032 0.000 1.098 108 I CA -0.079 61.249 61.300 0.046 0.000 1.277 108 I CB 0.654 38.698 38.000 0.074 0.000 1.434 108 I HN 0.256 nan 8.210 nan 0.000 0.498 109 V N 5.628 125.527 119.914 -0.025 0.000 3.147 109 V HA 0.365 4.484 4.120 -0.000 0.000 0.299 109 V C -1.778 174.269 176.094 -0.079 0.000 1.302 109 V CA -0.603 61.660 62.300 -0.062 0.000 1.015 109 V CB 2.770 34.371 31.823 -0.369 0.000 1.086 109 V HN 0.636 nan 8.190 nan 0.000 0.437 110 D N 6.082 126.439 120.400 -0.072 0.000 2.473 110 D HA 0.522 5.161 4.640 -0.000 0.000 0.226 110 D C -1.690 174.546 176.300 -0.106 0.000 1.089 110 D CA -2.143 51.792 54.000 -0.107 0.000 0.883 110 D CB 2.170 42.919 40.800 -0.086 0.000 1.029 110 D HN 0.369 nan 8.370 nan 0.000 0.517 111 P HA -0.117 nan 4.420 nan 0.000 0.222 111 P C 0.789 178.048 177.300 -0.069 0.000 1.147 111 P CA 0.763 63.841 63.100 -0.036 0.000 0.790 111 P CB 0.279 32.044 31.700 0.108 0.000 0.780 112 K N 0.411 120.723 120.400 -0.148 0.000 2.362 112 K HA -0.056 4.264 4.320 -0.000 0.000 0.200 112 K C 1.426 177.991 176.600 -0.059 0.000 1.046 112 K CA 0.871 57.089 56.287 -0.116 0.000 0.952 112 K CB -0.164 32.249 32.500 -0.145 0.000 0.753 112 K HN 0.314 nan 8.250 nan 0.000 0.466 113 K N 0.741 121.112 120.400 -0.049 0.000 2.397 113 K HA 0.224 4.544 4.320 -0.000 0.000 0.202 113 K C 0.241 176.834 176.600 -0.012 0.000 1.022 113 K CA 0.020 56.293 56.287 -0.023 0.000 1.141 113 K CB 0.394 32.886 32.500 -0.013 0.000 0.857 113 K HN 0.049 nan 8.250 nan 0.000 0.514 114 L N 0.975 122.188 121.223 -0.017 0.000 2.322 114 L HA 0.276 4.616 4.340 -0.000 0.000 0.269 114 L C 0.679 177.554 176.870 0.008 0.000 1.012 114 L CA -0.813 54.018 54.840 -0.014 0.000 0.815 114 L CB 1.745 43.779 42.059 -0.043 0.000 1.295 114 L HN 0.025 nan 8.230 nan 0.000 0.438 115 S N -1.029 114.674 115.700 0.004 0.000 2.681 115 S HA 0.157 4.627 4.470 -0.000 0.000 0.270 115 S C 0.425 175.046 174.600 0.036 0.000 1.209 115 S CA -0.534 57.677 58.200 0.018 0.000 0.988 115 S CB 1.405 64.608 63.200 0.005 0.000 1.006 115 S HN 0.620 nan 8.310 nan 0.000 0.558 116 D N 0.478 120.915 120.400 0.060 0.000 2.123 116 D HA -0.039 4.601 4.640 -0.000 0.000 0.196 116 D C 2.141 178.418 176.300 -0.037 0.000 0.992 116 D CA 1.072 55.136 54.000 0.108 0.000 0.833 116 D CB -0.043 40.843 40.800 0.143 0.000 0.954 116 D HN 0.339 nan 8.370 nan 0.000 0.455 117 R N 0.535 121.001 120.500 -0.057 0.000 2.081 117 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 117 R C 2.169 178.374 176.300 -0.159 0.000 1.131 117 R CA 0.875 56.897 56.100 -0.130 0.000 0.960 117 R CB -0.566 29.686 30.300 -0.079 0.000 0.856 117 R HN 0.425 nan 8.270 nan 0.000 0.436 118 E N 0.383 120.527 120.200 -0.093 0.000 2.106 118 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 118 E C 1.972 178.503 176.600 -0.116 0.000 0.984 118 E CA 0.947 57.290 56.400 -0.095 0.000 0.806 118 E CB 0.051 29.715 29.700 -0.059 0.000 0.750 118 E HN 0.268 nan 8.360 nan 0.000 0.458 119 K N 0.745 121.122 120.400 -0.039 0.000 2.057 119 K HA -0.193 4.126 4.320 -0.000 0.000 0.207 119 K C 2.176 178.785 176.600 0.014 0.000 1.049 119 K CA 1.197 57.558 56.287 0.125 0.000 0.931 119 K CB -0.027 32.689 32.500 0.361 0.000 0.714 119 K HN 0.105 nan 8.250 nan 0.000 0.440 120 E N 1.224 121.129 120.200 -0.493 0.000 2.038 120 E HA -0.226 4.123 4.350 -0.000 0.000 0.195 120 E C 1.947 178.308 176.600 -0.399 0.000 1.000 120 E CA 1.340 57.124 56.400 -1.027 0.000 0.803 120 E CB 0.123 28.948 29.700 -1.458 0.000 0.750 120 E HN 0.197 nan 8.360 nan 0.000 0.448 121 R N -0.003 120.330 120.500 -0.278 0.000 2.096 121 R HA -0.149 4.190 4.340 -0.000 0.000 0.235 121 R C 2.554 178.805 176.300 -0.081 0.000 1.127 121 R CA 1.197 57.210 56.100 -0.146 0.000 0.968 121 R CB -0.384 29.847 30.300 -0.116 0.000 0.861 121 R HN 0.245 nan 8.270 nan 0.000 0.440 122 L N 0.562 121.718 121.223 -0.112 0.000 2.109 122 L HA 0.015 4.354 4.340 -0.000 0.000 0.207 122 L C 2.227 179.126 176.870 0.049 0.000 1.086 122 L CA 1.693 56.430 54.840 -0.171 0.000 0.760 122 L CB -0.467 41.273 42.059 -0.532 0.000 0.910 122 L HN 0.098 nan 8.230 nan 0.000 0.437 123 A N -0.087 122.886 122.820 0.255 0.000 1.877 123 A HA -0.197 4.122 4.320 -0.000 0.000 0.216 123 A C 2.408 180.179 177.584 0.312 0.000 1.186 123 A CA 1.771 54.066 52.037 0.429 0.000 0.620 123 A CB -0.533 18.783 19.000 0.527 0.000 0.822 123 A HN 0.504 nan 8.150 nan 0.000 0.443 124 R N -0.846 119.765 120.500 0.186 0.000 2.115 124 R HA -0.068 4.271 4.340 -0.000 0.000 0.230 124 R C 2.330 178.720 176.300 0.150 0.000 1.111 124 R CA 0.981 57.174 56.100 0.155 0.000 0.976 124 R CB -0.554 29.783 30.300 0.060 0.000 0.870 124 R HN 0.530 nan 8.270 nan 0.000 0.445 125 G N 0.129 109.003 108.800 0.123 0.000 2.422 125 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 125 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 125 G C 1.199 176.205 174.900 0.177 0.000 1.146 125 G CA 0.436 45.602 45.100 0.111 0.000 0.769 125 G HN 0.318 nan 8.290 nan 0.000 0.547 126 Y N 1.047 121.395 120.300 0.081 0.000 2.242 126 Y HA -0.061 4.488 4.550 -0.000 0.000 0.291 126 Y C 2.522 178.498 175.900 0.126 0.000 1.137 126 Y CA 0.795 58.952 58.100 0.095 0.000 1.181 126 Y CB 0.016 38.565 38.460 0.148 0.000 0.989 126 Y HN 0.087 nan 8.280 nan 0.000 0.527 127 I N 0.354 121.080 120.570 0.260 0.000 2.252 127 I HA -0.252 3.917 4.170 -0.000 0.000 0.245 127 I C 2.306 178.518 176.117 0.159 0.000 1.102 127 I CA 1.413 62.829 61.300 0.193 0.000 1.385 127 I CB -1.206 36.968 38.000 0.291 0.000 1.064 127 I HN 0.242 nan 8.210 nan 0.000 0.414 128 R N 0.572 121.149 120.500 0.127 0.000 2.152 128 R HA -0.104 4.235 4.340 -0.000 0.000 0.232 128 R C 2.288 178.624 176.300 0.061 0.000 1.117 128 R CA 1.420 57.567 56.100 0.078 0.000 0.981 128 R CB -0.274 30.053 30.300 0.045 0.000 0.870 128 R HN 0.374 nan 8.270 nan 0.000 0.451 129 A N 1.227 124.066 122.820 0.032 0.000 1.898 129 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 129 A C 1.940 179.504 177.584 -0.033 0.000 1.183 129 A CA 0.918 52.952 52.037 -0.005 0.000 0.622 129 A CB -0.200 18.783 19.000 -0.028 0.000 0.824 129 A HN 0.422 nan 8.150 nan 0.000 0.444 130 I N -4.484 116.025 120.570 -0.102 0.000 3.941 130 I HA 0.282 4.452 4.170 -0.000 0.000 0.335 130 I C 1.672 177.785 176.117 -0.007 0.000 1.402 130 I CA -0.223 61.009 61.300 -0.114 0.000 1.112 130 I CB -0.219 37.595 38.000 -0.310 0.000 1.043 130 I HN 0.232 nan 8.210 nan 0.000 0.395 131 Y N 3.164 123.456 120.300 -0.013 0.000 2.102 131 Y HA -0.350 4.199 4.550 -0.000 0.000 0.280 131 Y C 2.013 177.949 175.900 0.061 0.000 1.178 131 Y CA 2.379 60.518 58.100 0.064 0.000 1.146 131 Y CB -0.232 38.263 38.460 0.057 0.000 0.968 131 Y HN 0.371 nan 8.280 nan 0.000 0.504 132 D N -0.363 120.087 120.400 0.083 0.000 2.309 132 D HA -0.121 4.518 4.640 -0.000 0.000 0.212 132 D C 1.697 177.944 176.300 -0.089 0.000 0.968 132 D CA 1.660 55.665 54.000 0.008 0.000 0.882 132 D CB -0.182 40.664 40.800 0.076 0.000 0.918 132 D HN 0.496 nan 8.370 nan 0.000 0.503 133 V N -1.001 118.854 119.914 -0.100 0.000 3.427 133 V HA 0.268 4.388 4.120 -0.000 0.000 0.305 133 V C 0.591 176.596 176.094 -0.149 0.000 1.412 133 V CA -0.527 61.705 62.300 -0.114 0.000 1.086 133 V CB -0.714 31.064 31.823 -0.075 0.000 0.964 133 V HN 0.069 nan 8.190 nan 0.000 0.439 134 I N -1.098 119.364 120.570 -0.179 0.000 2.846 134 I HA 0.992 5.162 4.170 -0.000 0.000 0.307 134 I C -0.457 175.539 176.117 -0.201 0.000 1.053 134 I CA -0.434 60.755 61.300 -0.186 0.000 1.050 134 I CB 2.203 40.097 38.000 -0.175 0.000 1.239 134 I HN 0.206 nan 8.210 nan 0.000 0.439 135 S N 2.724 118.307 115.700 -0.194 0.000 2.633 135 S HA 0.434 4.904 4.470 -0.000 0.000 0.271 135 S C -2.738 171.763 174.600 -0.166 0.000 1.112 135 S CA -0.701 57.415 58.200 -0.139 0.000 0.828 135 S CB 1.341 64.544 63.200 0.005 0.000 1.086 135 S HN 0.513 nan 8.310 nan 0.000 0.461 136 P HA 0.069 nan 4.420 nan 0.000 0.225 136 P C 0.066 177.224 177.300 -0.237 0.000 1.148 136 P CA 1.209 64.157 63.100 -0.253 0.000 0.779 136 P CB -0.238 31.163 31.700 -0.499 0.000 0.780 137 Y N -2.046 118.375 120.300 0.201 0.000 2.612 137 Y HA 0.296 4.846 4.550 -0.001 0.000 0.250 137 Y C 1.914 177.852 175.900 0.064 0.000 1.175 137 Y CA -0.362 57.868 58.100 0.216 0.000 1.205 137 Y CB 0.187 38.748 38.460 0.168 0.000 1.201 137 Y HN 0.005 nan 8.280 nan 0.000 0.532 138 E N -0.009 120.220 120.200 0.049 0.000 2.713 138 E HA 0.074 4.424 4.350 -0.000 0.000 0.201 138 E C -0.635 175.877 176.600 -0.147 0.000 0.935 138 E CA 0.344 56.696 56.400 -0.080 0.000 1.273 138 E CB 0.797 30.424 29.700 -0.122 0.000 1.221 138 E HN 0.102 nan 8.360 nan 0.000 0.547 139 D N -0.019 120.286 120.400 -0.159 0.000 2.861 139 D HA 0.289 4.928 4.640 -0.000 0.000 0.216 139 D C -1.692 174.491 176.300 -0.196 0.000 1.323 139 D CA -0.428 53.470 54.000 -0.171 0.000 0.917 139 D CB 1.295 42.017 40.800 -0.131 0.000 1.582 139 D HN 0.124 nan 8.370 nan 0.000 0.576 140 I N 5.321 125.737 120.570 -0.257 0.000 2.382 140 I HA 0.404 4.574 4.170 -0.000 0.000 0.285 140 I C -2.126 173.879 176.117 -0.187 0.000 1.007 140 I CA -1.735 59.420 61.300 -0.242 0.000 1.142 140 I CB 1.887 39.672 38.000 -0.358 0.000 1.289 140 I HN 0.172 nan 8.210 nan 0.000 0.453 141 P HA 0.689 nan 4.420 nan 0.000 0.312 141 P C -0.854 176.407 177.300 -0.066 0.000 1.308 141 P CA -0.510 62.557 63.100 -0.055 0.000 0.743 141 P CB 0.906 32.627 31.700 0.034 0.000 1.364 142 A N -1.992 120.797 122.820 -0.050 0.000 2.515 142 A HA 0.657 4.976 4.320 -0.000 0.000 0.292 142 A C -3.013 174.524 177.584 -0.079 0.000 1.065 142 A CA -1.103 50.895 52.037 -0.065 0.000 0.641 142 A CB 0.337 19.298 19.000 -0.065 0.000 1.306 142 A HN 0.260 nan 8.150 nan 0.000 0.441 143 P HA 0.516 nan 4.420 nan 0.000 0.276 143 P C -0.743 176.490 177.300 -0.112 0.000 1.252 143 P CA 0.287 63.306 63.100 -0.136 0.000 0.802 143 P CB 1.176 32.789 31.700 -0.144 0.000 1.035 144 D N -0.681 119.640 120.400 -0.132 0.000 4.243 144 D HA 0.073 4.712 4.640 -0.000 0.000 0.333 144 D C -0.880 175.343 176.300 -0.128 0.000 1.611 144 D CA -0.288 53.651 54.000 -0.102 0.000 0.979 144 D CB 0.833 41.593 40.800 -0.066 0.000 1.457 144 D HN -0.032 nan 8.370 nan 0.000 0.646 145 V N 2.724 122.562 119.914 -0.128 0.000 2.509 145 V HA -0.056 4.064 4.120 -0.000 0.000 0.297 145 V C -0.012 176.008 176.094 -0.122 0.000 1.014 145 V CA 0.833 62.998 62.300 -0.223 0.000 1.127 145 V CB -1.193 30.508 31.823 -0.204 0.000 0.925 145 V HN 0.614 nan 8.190 nan 0.000 0.480 146 Y N 2.217 122.520 120.300 0.005 0.000 4.753 146 Y HA -0.235 4.315 4.550 -0.000 0.000 0.232 146 Y C 0.906 176.691 175.900 -0.191 0.000 1.029 146 Y CA 0.882 58.981 58.100 -0.001 0.000 1.996 146 Y CB -2.687 35.859 38.460 0.142 0.000 1.602 146 Y HN 0.850 nan 8.280 nan 0.000 0.621 147 T N -1.568 112.867 114.554 -0.199 0.000 2.916 147 T HA 0.817 5.167 4.350 -0.000 0.000 0.292 147 T C -0.042 174.491 174.700 -0.278 0.000 1.064 147 T CA -0.169 61.666 62.100 -0.442 0.000 1.011 147 T CB 3.383 71.842 68.868 -0.682 0.000 1.152 147 T HN 0.364 nan 8.240 nan 0.000 0.510 148 N N -0.868 117.653 118.700 -0.299 0.000 3.449 148 N HA 0.493 5.233 4.740 -0.000 0.000 0.312 148 N C -2.801 172.558 175.510 -0.252 0.000 1.582 148 N CA -1.673 51.243 53.050 -0.222 0.000 0.850 148 N CB -0.082 38.297 38.487 -0.181 0.000 1.822 148 N HN 0.260 nan 8.380 nan 0.000 0.577 149 P HA -0.138 nan 4.420 nan 0.000 0.218 149 P C 1.197 178.301 177.300 -0.328 0.000 1.149 149 P CA 1.575 64.536 63.100 -0.231 0.000 0.817 149 P CB 0.253 31.843 31.700 -0.184 0.000 0.785 150 Q N 0.023 119.577 119.800 -0.411 0.000 2.079 150 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 150 Q C 1.998 177.457 176.000 -0.902 0.000 0.974 150 Q CA 1.566 56.955 55.803 -0.690 0.000 0.840 150 Q CB -1.198 27.095 28.738 -0.742 0.000 0.898 150 Q HN 0.168 nan 8.270 nan 0.000 0.430 151 I N -0.267 119.939 120.570 -0.608 0.000 2.286 151 I HA -0.269 3.900 4.170 -0.000 0.000 0.248 151 I C 1.944 177.960 176.117 -0.168 0.000 1.115 151 I CA 0.803 61.894 61.300 -0.350 0.000 1.392 151 I CB -0.244 37.509 38.000 -0.412 0.000 1.065 151 I HN 0.314 nan 8.210 nan 0.000 0.418 152 M N 0.237 119.710 119.600 -0.211 0.000 2.108 152 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 152 M C 2.628 178.890 176.300 -0.064 0.000 1.066 152 M CA 1.988 57.221 55.300 -0.111 0.000 1.107 152 M CB -1.486 31.034 32.600 -0.132 0.000 1.356 152 M HN 0.303 nan 8.290 nan 0.000 0.406 153 A N -0.453 122.265 122.820 -0.169 0.000 1.908 153 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 153 A C 1.951 179.579 177.584 0.073 0.000 1.181 153 A CA 1.315 53.280 52.037 -0.120 0.000 0.627 153 A CB -0.950 17.898 19.000 -0.252 0.000 0.818 153 A HN 0.592 nan 8.150 nan 0.000 0.445 154 W N -0.548 120.767 121.300 0.026 0.000 2.436 154 W HA 0.015 4.675 4.660 -0.000 0.000 0.284 154 W C 2.357 178.933 176.519 0.096 0.000 1.225 154 W CA 0.804 58.184 57.345 0.058 0.000 1.271 154 W CB -0.905 28.588 29.460 0.055 0.000 1.114 154 W HN 0.328 nan 8.180 nan 0.000 0.559 155 M N -0.702 119.093 119.600 0.325 0.000 2.132 155 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 155 M C 2.324 178.779 176.300 0.258 0.000 1.065 155 M CA 1.326 56.792 55.300 0.277 0.000 1.122 155 M CB -0.710 32.030 32.600 0.234 0.000 1.365 155 M HN -0.200 nan 8.290 nan 0.000 0.411 156 M N 0.645 120.367 119.600 0.204 0.000 2.117 156 M HA -0.229 4.250 4.480 -0.000 0.000 0.262 156 M C 1.387 177.866 176.300 0.297 0.000 1.065 156 M CA 2.139 57.580 55.300 0.236 0.000 1.114 156 M CB -0.819 31.878 32.600 0.162 0.000 1.361 156 M HN 0.216 nan 8.290 nan 0.000 0.408 157 D N -0.152 120.401 120.400 0.255 0.000 2.104 157 D HA -0.239 4.400 4.640 -0.000 0.000 0.194 157 D C 1.818 178.239 176.300 0.202 0.000 0.994 157 D CA 1.785 55.923 54.000 0.230 0.000 0.830 157 D CB 0.010 40.945 40.800 0.226 0.000 0.959 157 D HN 0.388 nan 8.370 nan 0.000 0.452 158 E N -1.048 119.280 120.200 0.213 0.000 2.077 158 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 158 E C 1.870 178.580 176.600 0.183 0.000 0.989 158 E CA 1.007 57.508 56.400 0.170 0.000 0.800 158 E CB -0.619 29.187 29.700 0.176 0.000 0.746 158 E HN 0.533 nan 8.360 nan 0.000 0.452 159 Y N 1.272 121.675 120.300 0.172 0.000 2.128 159 Y HA -0.234 4.315 4.550 -0.000 0.000 0.284 159 Y C 2.237 178.251 175.900 0.190 0.000 1.154 159 Y CA 2.403 60.635 58.100 0.220 0.000 1.149 159 Y CB -0.212 38.373 38.460 0.208 0.000 0.976 159 Y HN 0.171 nan 8.280 nan 0.000 0.505 160 E N -1.038 119.281 120.200 0.200 0.000 2.077 160 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 160 E C 1.909 178.498 176.600 -0.017 0.000 0.989 160 E CA 1.836 58.294 56.400 0.097 0.000 0.800 160 E CB -0.127 29.679 29.700 0.176 0.000 0.746 160 E HN 0.494 nan 8.360 nan 0.000 0.452 161 T N 0.787 115.341 114.554 -0.000 0.000 2.821 161 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 161 T C 1.835 176.464 174.700 -0.118 0.000 1.046 161 T CA 1.013 63.091 62.100 -0.037 0.000 1.139 161 T CB -0.050 68.813 68.868 -0.009 0.000 0.871 161 T HN 0.183 nan 8.240 nan 0.000 0.454 162 I N 1.576 122.028 120.570 -0.197 0.000 2.333 162 I HA -0.095 4.075 4.170 -0.000 0.000 0.246 162 I C 2.609 178.497 176.117 -0.382 0.000 1.106 162 I CA 1.073 62.154 61.300 -0.365 0.000 1.411 162 I CB -0.305 37.330 38.000 -0.608 0.000 1.082 162 I HN 0.267 nan 8.210 nan 0.000 0.420 163 S N 0.563 116.053 115.700 -0.350 0.000 2.555 163 S HA -0.074 4.396 4.470 -0.000 0.000 0.230 163 S C 1.022 175.560 174.600 -0.104 0.000 0.978 163 S CA -0.063 58.014 58.200 -0.205 0.000 0.934 163 S CB -0.044 62.925 63.200 -0.383 0.000 0.766 163 S HN 0.353 nan 8.310 nan 0.000 0.533 164 R N 0.645 121.084 120.500 -0.102 0.000 3.770 164 R HA -0.184 4.155 4.340 -0.000 0.000 0.305 164 R C 0.225 176.508 176.300 -0.027 0.000 1.184 164 R CA 1.002 57.069 56.100 -0.053 0.000 0.823 164 R CB -3.018 27.255 30.300 -0.044 0.000 1.285 164 R HN 0.761 nan 8.270 nan 0.000 0.499 165 R N -1.237 119.252 120.500 -0.020 0.000 3.875 165 R HA -0.192 4.148 4.340 -0.000 0.000 0.321 165 R C 0.626 176.931 176.300 0.008 0.000 1.196 165 R CA 1.602 57.699 56.100 -0.005 0.000 0.868 165 R CB -0.749 29.541 30.300 -0.017 0.000 1.333 165 R HN 0.183 nan 8.270 nan 0.000 0.522 166 K N -0.193 120.220 120.400 0.023 0.000 2.374 166 K HA 0.160 4.480 4.320 -0.000 0.000 0.196 166 K C 0.688 177.332 176.600 0.074 0.000 1.023 166 K CA 0.426 56.737 56.287 0.040 0.000 1.103 166 K CB 1.099 33.623 32.500 0.040 0.000 0.848 166 K HN 0.205 nan 8.250 nan 0.000 0.528 167 T N 1.323 115.937 114.554 0.099 0.000 2.883 167 T HA 0.364 4.713 4.350 -0.000 0.000 0.296 167 T C -2.898 171.872 174.700 0.117 0.000 1.117 167 T CA -1.952 60.235 62.100 0.146 0.000 1.006 167 T CB 1.750 70.746 68.868 0.214 0.000 1.191 167 T HN -0.186 nan 8.240 nan 0.000 0.508 168 P HA 0.283 nan 4.420 nan 0.000 0.263 168 P C 0.408 177.748 177.300 0.068 0.000 1.601 168 P CA -0.147 62.968 63.100 0.024 0.000 1.161 168 P CB 0.143 31.833 31.700 -0.016 0.000 1.730 169 A N 3.369 126.259 122.820 0.116 0.000 1.972 169 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 169 A C 1.642 179.412 177.584 0.311 0.000 1.169 169 A CA 1.020 53.223 52.037 0.276 0.000 0.635 169 A CB -1.158 18.039 19.000 0.329 0.000 0.810 169 A HN 0.287 nan 8.150 nan 0.000 0.446 170 F N 0.424 120.430 119.950 0.092 0.000 2.250 170 F HA -0.059 4.468 4.527 -0.000 0.000 0.301 170 F C 2.420 178.244 175.800 0.040 0.000 1.077 170 F CA 0.490 58.533 58.000 0.072 0.000 1.348 170 F CB -1.218 37.834 39.000 0.087 0.000 1.040 170 F HN 0.300 nan 8.300 nan 0.000 0.509 171 G N -0.863 108.058 108.800 0.201 0.000 2.848 171 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.208 171 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.208 171 G C 1.620 176.576 174.900 0.094 0.000 1.152 171 G CA 0.103 45.276 45.100 0.122 0.000 0.789 171 G HN 0.314 nan 8.290 nan 0.000 0.531 172 I N -0.122 120.429 120.570 -0.032 0.000 2.676 172 I HA 0.326 4.495 4.170 -0.000 0.000 0.259 172 I C 0.544 176.581 176.117 -0.133 0.000 1.194 172 I CA 0.403 61.562 61.300 -0.235 0.000 1.473 172 I CB 0.132 37.739 38.000 -0.656 0.000 1.096 172 I HN 0.110 nan 8.210 nan 0.000 0.443 173 I N -1.172 119.379 120.570 -0.033 0.000 2.908 173 I HA 0.257 4.426 4.170 -0.000 0.000 0.300 173 I C -0.370 175.743 176.117 -0.006 0.000 1.385 173 I CA -0.378 60.901 61.300 -0.034 0.000 1.004 173 I CB 1.748 39.732 38.000 -0.026 0.000 1.309 173 I HN 0.060 nan 8.210 nan 0.000 0.449 174 T N 1.094 115.634 114.554 -0.024 0.000 2.844 174 T HA 0.668 5.018 4.350 -0.000 0.000 0.274 174 T C 0.757 175.429 174.700 -0.046 0.000 0.991 174 T CA -0.117 61.975 62.100 -0.013 0.000 0.983 174 T CB 1.303 70.177 68.868 0.010 0.000 1.310 174 T HN 1.579 nan 8.240 nan 0.000 0.596 175 G N 0.498 109.269 108.800 -0.048 0.000 2.160 175 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.251 175 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.251 175 G C -0.067 174.773 174.900 -0.101 0.000 1.008 175 G CA 0.423 45.479 45.100 -0.073 0.000 0.724 175 G HN 0.862 nan 8.290 nan 0.000 0.514 176 K N 0.441 120.778 120.400 -0.104 0.000 2.107 176 K HA 0.443 4.762 4.320 -0.000 0.000 0.251 176 K C -2.178 174.330 176.600 -0.154 0.000 1.012 176 K CA -1.794 54.407 56.287 -0.145 0.000 0.920 176 K CB 0.668 33.063 32.500 -0.176 0.000 1.033 176 K HN 0.016 nan 8.250 nan 0.000 0.478 177 P HA 0.002 nan 4.420 nan 0.000 0.269 177 P C 0.307 177.498 177.300 -0.182 0.000 1.215 177 P CA 0.129 63.129 63.100 -0.167 0.000 0.780 177 P CB 0.454 32.050 31.700 -0.173 0.000 0.898 178 L N 1.267 122.400 121.223 -0.150 0.000 2.291 178 L HA -0.152 4.188 4.340 -0.000 0.000 0.214 178 L C 2.256 179.010 176.870 -0.194 0.000 1.120 178 L CA 1.601 56.343 54.840 -0.163 0.000 0.799 178 L CB -0.819 41.167 42.059 -0.121 0.000 0.925 178 L HN 0.432 nan 8.230 nan 0.000 0.446 179 S N 0.862 116.463 115.700 -0.166 0.000 2.469 179 S HA -0.111 4.358 4.470 -0.000 0.000 0.238 179 S C 1.195 175.672 174.600 -0.204 0.000 0.998 179 S CA 0.682 58.793 58.200 -0.150 0.000 0.957 179 S CB -0.581 62.556 63.200 -0.105 0.000 0.764 179 S HN 0.590 nan 8.310 nan 0.000 0.514 180 I N -3.880 116.497 120.570 -0.321 0.000 2.953 180 I HA 0.765 4.935 4.170 -0.000 0.000 0.325 180 I C 0.738 176.241 176.117 -1.024 0.000 1.421 180 I CA -0.369 60.563 61.300 -0.614 0.000 0.845 180 I CB 0.414 38.107 38.000 -0.512 0.000 2.186 180 I HN 0.209 nan 8.210 nan 0.000 0.604 181 G N 1.441 109.828 108.800 -0.689 0.000 2.175 181 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.244 181 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.244 181 G C 0.611 175.432 174.900 -0.132 0.000 0.982 181 G CA -0.292 44.562 45.100 -0.409 0.000 0.641 181 G HN 0.979 nan 8.290 nan 0.000 0.527 182 G N -0.091 108.591 108.800 -0.196 0.000 2.664 182 G HA2 0.501 4.460 3.960 -0.000 0.000 0.242 182 G HA3 0.501 4.460 3.960 -0.000 0.000 0.242 182 G C 0.311 175.194 174.900 -0.028 0.000 1.225 182 G CA 1.030 46.068 45.100 -0.103 0.000 0.849 182 G HN 1.198 nan 8.290 nan 0.000 0.581 183 S N -0.358 115.335 115.700 -0.013 0.000 2.565 183 S HA 0.530 5.000 4.470 -0.000 0.000 0.290 183 S C 0.375 174.981 174.600 0.009 0.000 1.150 183 S CA -0.857 57.348 58.200 0.009 0.000 1.058 183 S CB 0.554 63.749 63.200 -0.008 0.000 1.032 183 S HN 0.436 nan 8.310 nan 0.000 0.510 184 L N 3.160 124.402 121.223 0.033 0.000 2.467 184 L HA 0.390 4.729 4.340 -0.000 0.000 0.270 184 L C 1.677 178.580 176.870 0.055 0.000 1.205 184 L CA 0.727 55.588 54.840 0.035 0.000 0.828 184 L CB 0.280 42.376 42.059 0.060 0.000 1.101 184 L HN 1.111 nan 8.230 nan 0.000 0.479 185 G N 1.236 110.055 108.800 0.031 0.000 2.175 185 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.244 185 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.244 185 G C 1.186 176.079 174.900 -0.010 0.000 0.982 185 G CA 0.517 45.637 45.100 0.033 0.000 0.641 185 G HN 0.729 nan 8.290 nan 0.000 0.527 186 R N 0.314 120.799 120.500 -0.025 0.000 2.081 186 R HA 0.118 4.458 4.340 -0.000 0.000 0.235 186 R C 2.546 178.783 176.300 -0.106 0.000 1.131 186 R CA 1.867 57.939 56.100 -0.047 0.000 0.960 186 R CB -0.336 29.937 30.300 -0.046 0.000 0.856 186 R HN 0.489 nan 8.270 nan 0.000 0.436 187 I N 1.457 121.935 120.570 -0.153 0.000 2.226 187 I HA -0.272 3.897 4.170 -0.000 0.000 0.245 187 I C 2.138 177.975 176.117 -0.466 0.000 1.100 187 I CA 1.874 63.023 61.300 -0.252 0.000 1.374 187 I CB -0.224 37.637 38.000 -0.232 0.000 1.057 187 I HN 0.375 nan 8.210 nan 0.000 0.413 188 E N 1.058 120.934 120.200 -0.539 0.000 2.489 188 E HA 0.078 4.427 4.350 -0.000 0.000 0.193 188 E C 1.986 178.436 176.600 -0.250 0.000 1.057 188 E CA 0.651 56.680 56.400 -0.619 0.000 0.866 188 E CB -0.116 29.296 29.700 -0.479 0.000 0.916 188 E HN 0.375 nan 8.360 nan 0.000 0.500 189 A N 1.656 124.382 122.820 -0.156 0.000 1.884 189 A HA -0.271 4.048 4.320 -0.000 0.000 0.219 189 A C 2.411 179.970 177.584 -0.041 0.000 1.197 189 A CA 2.438 54.443 52.037 -0.054 0.000 0.637 189 A CB -1.354 17.633 19.000 -0.022 0.000 0.827 189 A HN 0.349 nan 8.150 nan 0.000 0.450 190 T N -0.132 114.391 114.554 -0.050 0.000 2.708 190 T HA -0.007 4.342 4.350 -0.000 0.000 0.266 190 T C 2.241 176.923 174.700 -0.030 0.000 1.037 190 T CA 1.857 63.943 62.100 -0.023 0.000 1.146 190 T CB -0.515 68.347 68.868 -0.009 0.000 0.865 190 T HN 0.652 nan 8.240 nan 0.000 0.435 191 A N 1.653 124.450 122.820 -0.038 0.000 1.877 191 A HA -0.099 4.220 4.320 -0.000 0.000 0.216 191 A C 2.233 179.764 177.584 -0.089 0.000 1.186 191 A CA 2.107 54.125 52.037 -0.033 0.000 0.620 191 A CB -0.596 18.421 19.000 0.028 0.000 0.822 191 A HN 0.390 nan 8.150 nan 0.000 0.443 192 R N -0.089 120.347 120.500 -0.107 0.000 2.091 192 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 192 R C 2.134 178.237 176.300 -0.328 0.000 1.136 192 R CA 2.159 58.138 56.100 -0.201 0.000 0.959 192 R CB -1.162 29.070 30.300 -0.113 0.000 0.856 192 R HN 0.389 nan 8.270 nan 0.000 0.437 193 G N -0.509 108.222 108.800 -0.115 0.000 2.418 193 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.217 193 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.217 193 G C 1.568 176.432 174.900 -0.060 0.000 1.158 193 G CA 0.723 45.819 45.100 -0.008 0.000 0.771 193 G HN 0.504 nan 8.290 nan 0.000 0.545 194 A N 1.286 124.055 122.820 -0.085 0.000 1.972 194 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 194 A C 2.729 180.216 177.584 -0.161 0.000 1.169 194 A CA 2.458 54.443 52.037 -0.087 0.000 0.635 194 A CB -0.724 18.238 19.000 -0.062 0.000 0.810 194 A HN 0.764 nan 8.150 nan 0.000 0.446 195 S N -1.046 114.509 115.700 -0.242 0.000 2.383 195 S HA -0.221 4.248 4.470 -0.000 0.000 0.229 195 S C 1.863 176.274 174.600 -0.314 0.000 1.030 195 S CA 1.616 59.624 58.200 -0.320 0.000 1.002 195 S CB -0.802 62.264 63.200 -0.223 0.000 0.829 195 S HN 0.538 nan 8.310 nan 0.000 0.467 196 Y N 3.074 123.335 120.300 -0.065 0.000 2.293 196 Y HA -0.000 4.550 4.550 -0.001 0.000 0.291 196 Y C 3.260 179.025 175.900 -0.226 0.000 1.137 196 Y CA 0.858 58.913 58.100 -0.075 0.000 1.202 196 Y CB -1.617 36.846 38.460 0.005 0.000 0.990 196 Y HN 0.604 nan 8.280 nan 0.000 0.537 197 T N -1.937 112.570 114.554 -0.079 0.000 2.821 197 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 197 T C 1.961 176.390 174.700 -0.451 0.000 1.046 197 T CA 1.417 63.353 62.100 -0.272 0.000 1.139 197 T CB -0.759 68.051 68.868 -0.098 0.000 0.871 197 T HN 0.312 nan 8.240 nan 0.000 0.454 198 I N 0.979 121.342 120.570 -0.344 0.000 2.202 198 I HA -0.083 4.087 4.170 -0.000 0.000 0.242 198 I C 3.142 178.989 176.117 -0.450 0.000 1.091 198 I CA 1.335 62.414 61.300 -0.369 0.000 1.368 198 I CB -0.403 37.406 38.000 -0.319 0.000 1.058 198 I HN 0.201 nan 8.210 nan 0.000 0.410 199 R N 0.958 121.185 120.500 -0.455 0.000 2.096 199 R HA -0.212 4.128 4.340 -0.000 0.000 0.240 199 R C 2.108 178.197 176.300 -0.352 0.000 1.139 199 R CA 1.702 57.585 56.100 -0.361 0.000 0.952 199 R CB -0.058 30.137 30.300 -0.175 0.000 0.854 199 R HN 0.308 nan 8.270 nan 0.000 0.436 200 E N 0.039 119.931 120.200 -0.514 0.000 2.152 200 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 200 E C 1.844 177.929 176.600 -0.858 0.000 0.983 200 E CA 1.046 57.040 56.400 -0.677 0.000 0.818 200 E CB -0.190 28.852 29.700 -1.097 0.000 0.758 200 E HN 0.468 nan 8.360 nan 0.000 0.467 201 A N 1.597 123.839 122.820 -0.964 0.000 1.933 201 A HA -0.041 4.278 4.320 -0.000 0.000 0.218 201 A C 2.405 179.618 177.584 -0.618 0.000 1.175 201 A CA 1.807 53.445 52.037 -0.665 0.000 0.628 201 A CB -0.441 18.300 19.000 -0.430 0.000 0.814 201 A HN 0.256 nan 8.150 nan 0.000 0.444 202 A N -0.003 122.425 122.820 -0.653 0.000 1.898 202 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 202 A C 2.090 179.364 177.584 -0.517 0.000 1.181 202 A CA 1.650 53.191 52.037 -0.826 0.000 0.620 202 A CB -0.379 18.357 19.000 -0.440 0.000 0.819 202 A HN 0.547 nan 8.150 nan 0.000 0.442 203 K N -0.048 120.166 120.400 -0.310 0.000 2.009 203 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 203 K C 1.926 178.432 176.600 -0.157 0.000 1.049 203 K CA 1.799 57.995 56.287 -0.152 0.000 0.929 203 K CB -0.754 31.707 32.500 -0.066 0.000 0.714 203 K HN 0.524 nan 8.250 nan 0.000 0.440 204 V N -0.349 119.435 119.914 -0.216 0.000 2.720 204 V HA -0.133 3.987 4.120 -0.000 0.000 0.256 204 V C 1.708 177.705 176.094 -0.161 0.000 1.082 204 V CA 1.387 63.571 62.300 -0.192 0.000 1.101 204 V CB -0.427 31.133 31.823 -0.438 0.000 0.693 204 V HN 0.114 nan 8.190 nan 0.000 0.479 205 L N 1.534 122.582 121.223 -0.292 0.000 2.554 205 L HA 0.470 4.809 4.340 -0.000 0.000 0.226 205 L C 2.016 178.846 176.870 -0.068 0.000 1.137 205 L CA 1.211 55.886 54.840 -0.274 0.000 0.863 205 L CB -0.686 40.916 42.059 -0.761 0.000 0.985 205 L HN 0.699 nan 8.230 nan 0.000 0.451 206 G N -2.845 105.934 108.800 -0.036 0.000 2.157 206 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 206 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 206 G C -0.037 175.035 174.900 0.286 0.000 0.979 206 G CA 0.016 45.184 45.100 0.113 0.000 0.650 206 G HN 0.133 nan 8.290 nan 0.000 0.529 207 W N 2.201 123.494 121.300 -0.011 0.000 2.158 207 W HA 0.376 5.036 4.660 0.000 0.000 0.339 207 W C 1.421 177.937 176.519 -0.004 0.000 1.294 207 W CA -0.467 56.872 57.345 -0.010 0.000 1.231 207 W CB 0.193 29.642 29.460 -0.019 0.000 1.143 207 W HN 0.316 nan 8.180 nan 0.000 0.571 208 D N 0.028 120.591 120.400 0.272 0.000 2.077 208 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 208 D C 0.685 177.070 176.300 0.141 0.000 0.986 208 D CA 1.361 55.447 54.000 0.143 0.000 0.829 208 D CB -0.044 40.801 40.800 0.075 0.000 0.983 208 D HN 0.282 nan 8.370 nan 0.000 0.453 209 T N -1.826 112.827 114.554 0.165 0.000 2.711 209 T HA 0.373 4.723 4.350 -0.000 0.000 0.302 209 T C -0.180 174.641 174.700 0.202 0.000 1.373 209 T CA -0.719 61.477 62.100 0.160 0.000 1.000 209 T CB 1.125 70.060 68.868 0.111 0.000 1.483 209 T HN -0.017 nan 8.240 nan 0.000 0.499 210 L N 0.523 121.865 121.223 0.198 0.000 2.463 210 L HA 0.377 4.717 4.340 -0.000 0.000 0.219 210 L C 1.189 178.144 176.870 0.141 0.000 1.088 210 L CA -0.070 54.889 54.840 0.199 0.000 0.849 210 L CB 0.054 42.214 42.059 0.168 0.000 1.012 210 L HN 0.458 nan 8.230 nan 0.000 0.468 211 K N 1.378 121.859 120.400 0.135 0.000 2.440 211 K HA -0.029 4.291 4.320 -0.000 0.000 0.275 211 K C 1.016 177.644 176.600 0.047 0.000 1.082 211 K CA 1.149 57.491 56.287 0.092 0.000 1.135 211 K CB 0.113 32.658 32.500 0.075 0.000 0.864 211 K HN 0.379 nan 8.250 nan 0.000 0.479 212 G N 3.659 112.480 108.800 0.034 0.000 2.225 212 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.254 212 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.254 212 G C 0.170 175.059 174.900 -0.018 0.000 0.988 212 G CA 0.238 45.339 45.100 0.002 0.000 0.625 212 G HN 0.576 nan 8.290 nan 0.000 0.527 213 K N 1.088 121.484 120.400 -0.008 0.000 2.132 213 K HA 0.525 4.845 4.320 -0.000 0.000 0.240 213 K C 0.669 177.269 176.600 0.000 0.000 1.036 213 K CA 0.651 56.914 56.287 -0.040 0.000 0.888 213 K CB 0.470 32.953 32.500 -0.029 0.000 1.071 213 K HN 0.567 nan 8.250 nan 0.000 0.502 214 T N -2.138 112.415 114.554 -0.002 0.000 2.912 214 T HA 0.727 5.077 4.350 -0.000 0.000 0.288 214 T C -0.120 174.611 174.700 0.052 0.000 1.030 214 T CA -0.909 61.206 62.100 0.025 0.000 1.020 214 T CB 1.268 70.149 68.868 0.022 0.000 1.056 214 T HN 0.601 nan 8.240 nan 0.000 0.480 215 I N 0.608 121.211 120.570 0.055 0.000 2.722 215 I HA 0.701 4.871 4.170 -0.000 0.000 0.295 215 I C -1.535 174.622 176.117 0.067 0.000 1.161 215 I CA -1.192 60.145 61.300 0.062 0.000 1.032 215 I CB 1.856 39.886 38.000 0.050 0.000 1.244 215 I HN 1.058 nan 8.210 nan 0.000 0.421 216 A N 7.894 130.757 122.820 0.072 0.000 2.318 216 A HA 0.799 5.119 4.320 -0.000 0.000 0.317 216 A C -1.159 176.469 177.584 0.073 0.000 1.159 216 A CA -0.481 51.603 52.037 0.078 0.000 0.799 216 A CB 0.900 19.949 19.000 0.082 0.000 1.194 216 A HN 0.605 nan 8.150 nan 0.000 0.479 217 I N 1.978 122.598 120.570 0.083 0.000 2.382 217 I HA 0.272 4.441 4.170 -0.000 0.000 0.286 217 I C 0.193 176.374 176.117 0.107 0.000 1.002 217 I CA -0.169 61.190 61.300 0.099 0.000 1.135 217 I CB 1.819 39.899 38.000 0.133 0.000 1.288 217 I HN 0.734 nan 8.210 nan 0.000 0.448 218 Q N 5.828 125.684 119.800 0.093 0.000 2.349 218 Q HA 0.577 4.917 4.340 -0.000 0.000 0.254 218 Q C -0.236 175.830 176.000 0.109 0.000 0.980 218 Q CA -0.278 55.578 55.803 0.089 0.000 0.924 218 Q CB 1.199 29.978 28.738 0.068 0.000 1.209 218 Q HN 0.951 nan 8.270 nan 0.000 0.445 219 G N 3.097 111.982 108.800 0.141 0.000 2.841 219 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.684 219 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.684 219 G C -1.620 173.445 174.900 0.275 0.000 1.273 219 G CA -0.793 44.403 45.100 0.159 0.000 0.811 219 G HN 0.571 nan 8.290 nan 0.000 0.631 220 Y N 1.973 122.311 120.300 0.063 0.000 2.685 220 Y HA 0.510 5.060 4.550 -0.000 0.000 0.257 220 Y C 1.239 177.190 175.900 0.085 0.000 1.053 220 Y CA 0.261 58.407 58.100 0.077 0.000 1.106 220 Y CB 0.330 38.827 38.460 0.061 0.000 1.193 220 Y HN 0.977 nan 8.280 nan 0.000 0.602 221 G N 0.151 108.985 108.800 0.056 0.000 2.509 221 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.269 221 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.269 221 G C 0.790 175.694 174.900 0.007 0.000 1.416 221 G CA -0.261 44.854 45.100 0.025 0.000 1.052 221 G HN 0.412 nan 8.290 nan 0.000 0.542 222 N N -0.443 118.309 118.700 0.086 0.000 2.021 222 N HA -0.233 4.506 4.740 -0.000 0.000 0.198 222 N C 2.580 178.238 175.510 0.247 0.000 1.041 222 N CA 1.439 54.628 53.050 0.232 0.000 0.862 222 N CB -0.128 38.460 38.487 0.169 0.000 1.048 222 N HN 0.485 nan 8.380 nan 0.000 0.427 223 A N 0.680 123.565 122.820 0.109 0.000 1.865 223 A HA -0.098 4.221 4.320 -0.000 0.000 0.217 223 A C 2.340 179.947 177.584 0.037 0.000 1.191 223 A CA 2.073 54.152 52.037 0.070 0.000 0.623 223 A CB -1.448 17.578 19.000 0.044 0.000 0.826 223 A HN 0.460 nan 8.150 nan 0.000 0.444 224 G N -1.689 107.117 108.800 0.011 0.000 2.421 224 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.216 224 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.216 224 G C 1.598 176.394 174.900 -0.173 0.000 1.171 224 G CA 1.409 46.508 45.100 -0.000 0.000 0.775 224 G HN 0.643 nan 8.290 nan 0.000 0.543 225 Y N 0.311 120.252 120.300 -0.598 0.000 2.145 225 Y HA -0.109 4.441 4.550 -0.001 0.000 0.286 225 Y C 2.547 178.185 175.900 -0.437 0.000 1.145 225 Y CA 1.382 58.962 58.100 -0.868 0.000 1.148 225 Y CB -0.484 37.390 38.460 -0.977 0.000 0.981 225 Y HN 0.230 nan 8.280 nan 0.000 0.507 226 Y N -0.461 119.527 120.300 -0.520 0.000 2.293 226 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 226 Y C 2.353 178.052 175.900 -0.335 0.000 1.137 226 Y CA 1.551 59.331 58.100 -0.533 0.000 1.202 226 Y CB -0.593 37.724 38.460 -0.238 0.000 0.990 226 Y HN 0.299 nan 8.280 nan 0.000 0.537 227 L N -0.152 121.018 121.223 -0.088 0.000 2.056 227 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 227 L C 2.387 179.221 176.870 -0.059 0.000 1.078 227 L CA 1.919 56.730 54.840 -0.048 0.000 0.749 227 L CB -0.962 41.087 42.059 -0.016 0.000 0.901 227 L HN 0.121 nan 8.230 nan 0.000 0.433 228 A N -0.379 122.394 122.820 -0.078 0.000 1.877 228 A HA -0.294 4.025 4.320 -0.000 0.000 0.216 228 A C 2.443 179.984 177.584 -0.071 0.000 1.186 228 A CA 2.103 54.133 52.037 -0.012 0.000 0.620 228 A CB -0.691 18.380 19.000 0.119 0.000 0.822 228 A HN 0.504 nan 8.150 nan 0.000 0.443 229 K N -0.480 119.774 120.400 -0.242 0.000 2.063 229 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 229 K C 1.785 178.319 176.600 -0.111 0.000 1.048 229 K CA 1.812 57.943 56.287 -0.260 0.000 0.928 229 K CB -0.308 31.823 32.500 -0.616 0.000 0.713 229 K HN 0.501 nan 8.250 nan 0.000 0.442 230 I N 0.250 120.777 120.570 -0.072 0.000 2.286 230 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 230 I C 2.154 178.357 176.117 0.142 0.000 1.104 230 I CA 0.574 61.894 61.300 0.033 0.000 1.397 230 I CB -0.094 37.938 38.000 0.053 0.000 1.072 230 I HN 0.225 nan 8.210 nan 0.000 0.417 231 M N 0.528 120.200 119.600 0.120 0.000 2.159 231 M HA -0.161 4.318 4.480 -0.000 0.000 0.263 231 M C 2.602 179.009 176.300 0.178 0.000 1.063 231 M CA 1.947 57.356 55.300 0.182 0.000 1.110 231 M CB -1.397 31.235 32.600 0.053 0.000 1.374 231 M HN 0.353 nan 8.290 nan 0.000 0.411 232 S N -0.372 115.381 115.700 0.088 0.000 2.336 232 S HA -0.071 4.399 4.470 -0.000 0.000 0.216 232 S C 1.842 176.469 174.600 0.046 0.000 1.032 232 S CA 1.012 59.249 58.200 0.062 0.000 0.973 232 S CB -0.699 62.519 63.200 0.029 0.000 0.888 232 S HN 0.526 nan 8.310 nan 0.000 0.455 233 E N 1.473 121.685 120.200 0.019 0.000 2.106 233 E HA -0.108 4.241 4.350 -0.000 0.000 0.192 233 E C 1.399 177.977 176.600 -0.037 0.000 0.984 233 E CA 1.332 57.728 56.400 -0.005 0.000 0.806 233 E CB -0.157 29.534 29.700 -0.015 0.000 0.750 233 E HN 0.623 nan 8.360 nan 0.000 0.458 234 D N -0.705 119.663 120.400 -0.053 0.000 2.301 234 D HA -0.006 4.633 4.640 -0.000 0.000 0.206 234 D C 1.197 177.226 176.300 -0.451 0.000 0.979 234 D CA 0.672 54.526 54.000 -0.244 0.000 0.874 234 D CB 0.141 40.753 40.800 -0.313 0.000 0.968 234 D HN 0.160 nan 8.370 nan 0.000 0.510 235 F N -0.020 119.933 119.950 0.005 0.000 2.727 235 F HA 0.282 4.808 4.527 -0.001 0.000 0.302 235 F C 1.656 177.466 175.800 0.017 0.000 1.107 235 F CA 0.213 58.222 58.000 0.015 0.000 1.277 235 F CB 0.723 39.732 39.000 0.015 0.000 1.079 235 F HN -0.014 nan 8.300 nan 0.000 0.594 236 G N 1.416 110.302 108.800 0.142 0.000 2.160 236 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 236 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 236 G C 0.268 175.224 174.900 0.093 0.000 1.022 236 G CA -0.038 45.115 45.100 0.087 0.000 0.741 236 G HN 0.193 nan 8.290 nan 0.000 0.508 237 M N -0.639 119.031 119.600 0.117 0.000 2.227 237 M HA 0.383 4.863 4.480 -0.000 0.000 0.316 237 M C 0.725 177.054 176.300 0.047 0.000 1.144 237 M CA 0.125 55.475 55.300 0.082 0.000 1.121 237 M CB 0.834 33.485 32.600 0.085 0.000 1.440 237 M HN 0.028 nan 8.290 nan 0.000 0.473 238 K N 1.207 121.624 120.400 0.028 0.000 2.263 238 K HA 0.374 4.694 4.320 -0.000 0.000 0.272 238 K C -1.169 175.437 176.600 0.010 0.000 1.033 238 K CA -0.454 55.838 56.287 0.008 0.000 0.884 238 K CB 1.278 33.772 32.500 -0.010 0.000 1.107 238 K HN 0.382 nan 8.250 nan 0.000 0.460 239 V N 5.256 125.173 119.914 0.005 0.000 2.326 239 V HA -0.040 4.080 4.120 -0.000 0.000 0.249 239 V C 1.355 177.437 176.094 -0.021 0.000 1.114 239 V CA -0.068 62.237 62.300 0.009 0.000 1.028 239 V CB 0.164 32.000 31.823 0.022 0.000 1.170 239 V HN 0.698 nan 8.190 nan 0.000 0.494 240 V N 1.841 121.752 119.914 -0.004 0.000 3.129 240 V HA 0.512 4.632 4.120 -0.000 0.000 0.259 240 V C 0.820 176.917 176.094 0.004 0.000 1.116 240 V CA 1.032 63.300 62.300 -0.053 0.000 1.127 240 V CB -0.239 31.572 31.823 -0.019 0.000 0.742 240 V HN 0.800 nan 8.190 nan 0.000 0.474 241 A N 0.065 122.931 122.820 0.076 0.000 2.566 241 A HA 0.801 5.121 4.320 -0.000 0.000 0.297 241 A C -0.821 176.782 177.584 0.033 0.000 1.059 241 A CA 0.076 52.173 52.037 0.101 0.000 0.691 241 A CB 1.932 21.065 19.000 0.221 0.000 1.282 241 A HN 1.401 nan 8.150 nan 0.000 0.401 242 V N -0.731 119.161 119.914 -0.036 0.000 3.130 242 V HA 1.026 5.146 4.120 -0.000 0.000 0.310 242 V C -0.208 175.849 176.094 -0.063 0.000 1.158 242 V CA -0.067 62.197 62.300 -0.059 0.000 1.029 242 V CB 1.440 33.121 31.823 -0.236 0.000 1.057 242 V HN 2.140 nan 8.190 nan 0.000 0.436 243 S N 0.338 116.034 115.700 -0.006 0.000 2.625 243 S HA 0.898 5.368 4.470 -0.000 0.000 0.271 243 S C -1.351 173.289 174.600 0.066 0.000 1.161 243 S CA -0.044 58.164 58.200 0.013 0.000 0.820 243 S CB 2.186 65.408 63.200 0.037 0.000 1.137 243 S HN 1.631 nan 8.310 nan 0.000 0.470 244 D N -0.890 119.552 120.400 0.069 0.000 2.798 244 D HA 0.480 5.120 4.640 -0.000 0.000 0.308 244 D C 0.961 177.307 176.300 0.077 0.000 1.187 244 D CA -0.006 54.052 54.000 0.097 0.000 1.033 244 D CB 0.368 41.242 40.800 0.124 0.000 1.445 244 D HN 0.567 nan 8.370 nan 0.000 0.550 245 S N -1.156 114.589 115.700 0.076 0.000 2.474 245 S HA -0.100 4.370 4.470 -0.000 0.000 0.235 245 S C 1.166 175.802 174.600 0.060 0.000 0.997 245 S CA 0.393 58.631 58.200 0.063 0.000 0.949 245 S CB -0.421 62.816 63.200 0.061 0.000 0.766 245 S HN 0.453 nan 8.310 nan 0.000 0.517 246 K N 1.324 121.764 120.400 0.068 0.000 2.314 246 K HA 0.389 4.709 4.320 -0.000 0.000 0.198 246 K C 1.195 177.833 176.600 0.064 0.000 1.045 246 K CA 0.737 57.065 56.287 0.068 0.000 0.988 246 K CB -0.137 32.410 32.500 0.078 0.000 0.783 246 K HN 0.523 nan 8.250 nan 0.000 0.484 247 G N -0.127 108.709 108.800 0.061 0.000 2.356 247 G HA2 0.311 4.271 3.960 -0.000 0.000 0.300 247 G HA3 0.311 4.271 3.960 -0.000 0.000 0.300 247 G C -1.167 173.757 174.900 0.039 0.000 1.331 247 G CA -0.568 44.562 45.100 0.049 0.000 0.905 247 G HN 0.243 nan 8.290 nan 0.000 0.587 248 G N -1.209 107.609 108.800 0.030 0.000 2.509 248 G HA2 0.919 4.878 3.960 -0.000 0.000 0.328 248 G HA3 0.919 4.878 3.960 -0.000 0.000 0.328 248 G C -0.375 174.537 174.900 0.021 0.000 1.194 248 G CA -0.216 44.895 45.100 0.018 0.000 0.967 248 G HN 1.630 nan 8.290 nan 0.000 0.488 249 I N -2.470 118.108 120.570 0.013 0.000 2.865 249 I HA 0.775 4.945 4.170 -0.000 0.000 0.302 249 I C -1.644 174.537 176.117 0.106 0.000 1.140 249 I CA -1.362 59.957 61.300 0.031 0.000 1.021 249 I CB 2.617 40.598 38.000 -0.031 0.000 1.233 249 I HN 0.483 nan 8.210 nan 0.000 0.427 250 Y N 3.752 124.032 120.300 -0.034 0.000 2.524 250 Y HA 0.686 5.235 4.550 -0.001 0.000 0.347 250 Y C -1.499 174.391 175.900 -0.016 0.000 1.005 250 Y CA -0.816 57.268 58.100 -0.026 0.000 1.025 250 Y CB 1.990 40.439 38.460 -0.019 0.000 1.275 250 Y HN 0.823 nan 8.280 nan 0.000 0.460 251 N N 6.270 124.409 118.700 -0.936 0.000 2.777 251 N HA 0.236 4.976 4.740 -0.000 0.000 0.260 251 N C -2.881 172.189 175.510 -0.735 0.000 1.113 251 N CA -1.381 51.235 53.050 -0.724 0.000 0.996 251 N CB 2.573 40.895 38.487 -0.275 0.000 1.584 251 N HN 0.319 nan 8.380 nan 0.000 0.573 252 P HA 0.085 nan 4.420 nan 0.000 0.229 252 P C 0.352 177.543 177.300 -0.182 0.000 1.160 252 P CA 0.837 63.713 63.100 -0.373 0.000 0.777 252 P CB 0.523 32.122 31.700 -0.169 0.000 0.814 253 D N -0.792 119.502 120.400 -0.177 0.000 2.333 253 D HA 0.150 4.789 4.640 -0.000 0.000 0.208 253 D C 1.043 177.293 176.300 -0.084 0.000 0.984 253 D CA 0.929 54.869 54.000 -0.101 0.000 0.873 253 D CB 0.231 40.983 40.800 -0.079 0.000 0.935 253 D HN 0.108 nan 8.370 nan 0.000 0.521 254 G N 0.681 109.413 108.800 -0.113 0.000 2.906 254 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.686 254 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.686 254 G C -0.697 174.164 174.900 -0.065 0.000 1.170 254 G CA -0.885 44.168 45.100 -0.078 0.000 0.775 254 G HN 0.093 nan 8.290 nan 0.000 0.630 255 L N 1.592 122.774 121.223 -0.069 0.000 2.439 255 L HA 0.546 4.885 4.340 -0.000 0.000 0.259 255 L C 0.834 177.681 176.870 -0.039 0.000 1.129 255 L CA -1.169 53.627 54.840 -0.073 0.000 0.803 255 L CB 0.978 42.947 42.059 -0.151 0.000 1.161 255 L HN 0.668 nan 8.230 nan 0.000 0.462 256 N N 0.586 119.265 118.700 -0.036 0.000 2.469 256 N HA 0.256 4.995 4.740 -0.000 0.000 0.253 256 N C 0.355 175.866 175.510 0.001 0.000 0.970 256 N CA 0.016 53.070 53.050 0.007 0.000 0.940 256 N CB 1.901 40.417 38.487 0.048 0.000 1.128 256 N HN 0.743 nan 8.380 nan 0.000 0.503 257 A N 3.942 126.802 122.820 0.067 0.000 1.892 257 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 257 A C 1.510 179.281 177.584 0.312 0.000 1.188 257 A CA 1.682 53.846 52.037 0.212 0.000 0.631 257 A CB -0.327 18.774 19.000 0.169 0.000 0.822 257 A HN 0.736 nan 8.150 nan 0.000 0.447 258 D N -0.305 120.238 120.400 0.239 0.000 2.097 258 D HA -0.121 4.518 4.640 -0.000 0.000 0.195 258 D C 1.989 178.353 176.300 0.107 0.000 0.989 258 D CA 1.349 55.467 54.000 0.198 0.000 0.827 258 D CB -0.339 40.548 40.800 0.144 0.000 0.966 258 D HN 0.524 nan 8.370 nan 0.000 0.456 259 E N 0.523 120.778 120.200 0.092 0.000 2.106 259 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 259 E C 2.435 179.046 176.600 0.018 0.000 0.984 259 E CA 0.387 56.856 56.400 0.115 0.000 0.806 259 E CB -0.179 29.630 29.700 0.182 0.000 0.750 259 E HN 0.184 nan 8.360 nan 0.000 0.458 260 V N 1.764 121.551 119.914 -0.213 0.000 2.515 260 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 260 V C 2.416 178.494 176.094 -0.027 0.000 1.058 260 V CA 1.088 63.124 62.300 -0.440 0.000 1.064 260 V CB -0.539 30.905 31.823 -0.632 0.000 0.675 260 V HN 0.131 nan 8.190 nan 0.000 0.461 261 L N 0.827 122.119 121.223 0.115 0.000 1.994 261 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 261 L C 2.495 179.400 176.870 0.058 0.000 1.071 261 L CA 2.013 56.906 54.840 0.089 0.000 0.745 261 L CB -0.715 41.188 42.059 -0.260 0.000 0.892 261 L HN 0.279 nan 8.230 nan 0.000 0.431 262 K N -1.106 119.337 120.400 0.072 0.000 2.063 262 K HA -0.263 4.057 4.320 -0.000 0.000 0.208 262 K C 2.109 178.830 176.600 0.200 0.000 1.048 262 K CA 1.894 58.246 56.287 0.109 0.000 0.928 262 K CB -0.856 31.717 32.500 0.121 0.000 0.713 262 K HN 0.578 nan 8.250 nan 0.000 0.442 263 W N 3.408 124.771 121.300 0.105 0.000 2.335 263 W HA -0.249 4.411 4.660 -0.000 0.000 0.311 263 W C 1.953 178.584 176.519 0.187 0.000 1.213 263 W CA 1.883 59.326 57.345 0.163 0.000 1.274 263 W CB -0.189 29.387 29.460 0.193 0.000 1.148 263 W HN 0.051 nan 8.180 nan 0.000 0.498 264 K N 0.944 121.498 120.400 0.257 0.000 2.063 264 K HA -0.232 4.087 4.320 -0.000 0.000 0.208 264 K C 1.782 178.410 176.600 0.048 0.000 1.048 264 K CA 2.367 58.746 56.287 0.155 0.000 0.928 264 K CB -0.747 31.861 32.500 0.181 0.000 0.713 264 K HN 0.204 nan 8.250 nan 0.000 0.442 265 N N -0.072 118.652 118.700 0.039 0.000 2.149 265 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 265 N C 1.464 176.937 175.510 -0.061 0.000 1.019 265 N CA 1.543 54.586 53.050 -0.011 0.000 0.857 265 N CB 0.032 38.508 38.487 -0.019 0.000 0.997 265 N HN 0.375 nan 8.380 nan 0.000 0.426 266 E N -0.259 119.894 120.200 -0.078 0.000 2.086 266 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 266 E C 1.323 177.646 176.600 -0.460 0.000 0.975 266 E CA 0.893 57.141 56.400 -0.254 0.000 0.813 266 E CB -0.008 29.500 29.700 -0.320 0.000 0.768 266 E HN 0.577 nan 8.360 nan 0.000 0.457 267 H N -0.897 117.909 119.070 -0.439 0.000 2.482 267 H HA 0.167 4.723 4.556 -0.000 0.000 0.286 267 H C 1.514 176.727 175.328 -0.192 0.000 1.017 267 H CA 0.989 56.789 56.048 -0.413 0.000 1.322 267 H CB 0.424 29.733 29.762 -0.756 0.000 1.426 267 H HN 0.374 nan 8.280 nan 0.000 0.546 268 G N -0.722 108.063 108.800 -0.025 0.000 2.213 268 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.226 268 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.226 268 G C 0.407 175.354 174.900 0.078 0.000 0.992 268 G CA 0.325 45.438 45.100 0.021 0.000 0.632 268 G HN 0.656 nan 8.290 nan 0.000 0.511 269 S N -1.582 114.194 115.700 0.127 0.000 2.550 269 S HA 0.553 5.023 4.470 -0.000 0.000 0.270 269 S C 1.234 176.015 174.600 0.301 0.000 1.145 269 S CA 0.559 58.865 58.200 0.177 0.000 0.852 269 S CB 1.656 64.949 63.200 0.155 0.000 1.119 269 S HN 1.507 nan 8.310 nan 0.000 0.465 270 V N 1.298 121.337 119.914 0.207 0.000 2.970 270 V HA 0.255 4.374 4.120 -0.000 0.000 0.260 270 V C 1.049 177.254 176.094 0.186 0.000 1.100 270 V CA 0.979 63.377 62.300 0.163 0.000 1.122 270 V CB -1.258 30.482 31.823 -0.138 0.000 0.721 270 V HN 0.775 nan 8.190 nan 0.000 0.483 271 K N 1.193 121.722 120.400 0.214 0.000 2.485 271 K HA -0.036 4.283 4.320 -0.000 0.000 0.277 271 K C 0.520 177.283 176.600 0.271 0.000 0.990 271 K CA 0.994 57.385 56.287 0.174 0.000 0.994 271 K CB -0.068 32.521 32.500 0.148 0.000 0.906 271 K HN 0.524 nan 8.250 nan 0.000 0.488 272 D N 1.164 121.620 120.400 0.094 0.000 3.028 272 D HA -0.255 4.384 4.640 -0.000 0.000 0.207 272 D C -0.230 175.781 176.300 -0.482 0.000 1.100 272 D CA 0.739 54.744 54.000 0.009 0.000 0.995 272 D CB -1.705 39.228 40.800 0.222 0.000 1.108 272 D HN 0.461 nan 8.370 nan 0.000 0.421 273 F N 2.240 121.613 119.950 -0.962 0.000 2.612 273 F HA 0.106 4.633 4.527 -0.001 0.000 0.389 273 F C -1.210 174.051 175.800 -0.898 0.000 1.055 273 F CA -1.215 55.840 58.000 -1.575 0.000 1.232 273 F CB 0.715 39.157 39.000 -0.929 0.000 1.044 273 F HN -0.239 nan 8.300 nan 0.000 0.560 274 P HA -0.115 nan 4.420 nan 0.000 0.216 274 P C 1.141 177.969 177.300 -0.785 0.000 1.150 274 P CA 1.855 64.398 63.100 -0.927 0.000 0.843 274 P CB -0.032 31.216 31.700 -0.754 0.000 0.787 275 G N -1.747 106.332 108.800 -1.202 0.000 3.379 275 G HA2 0.416 4.376 3.960 -0.000 0.000 0.253 275 G HA3 0.416 4.376 3.960 -0.000 0.000 0.253 275 G C 0.212 175.032 174.900 -0.133 0.000 1.262 275 G CA 0.541 45.337 45.100 -0.506 0.000 0.959 275 G HN 0.500 nan 8.290 nan 0.000 0.524 276 A N -1.043 121.699 122.820 -0.130 0.000 2.557 276 A HA 0.825 5.145 4.320 -0.000 0.000 0.292 276 A C -0.468 177.091 177.584 -0.043 0.000 1.139 276 A CA -0.561 51.461 52.037 -0.024 0.000 0.665 276 A CB 0.783 19.835 19.000 0.088 0.000 1.285 276 A HN 0.125 nan 8.150 nan 0.000 0.433 277 T N 1.486 116.051 114.554 0.019 0.000 2.925 277 T HA 0.534 4.884 4.350 -0.000 0.000 0.285 277 T C -0.405 174.332 174.700 0.061 0.000 1.021 277 T CA -0.609 61.514 62.100 0.038 0.000 1.042 277 T CB 0.895 69.820 68.868 0.094 0.000 1.037 277 T HN 0.541 nan 8.240 nan 0.000 0.481 278 N N 2.140 120.861 118.700 0.035 0.000 2.518 278 N HA 0.573 5.313 4.740 -0.000 0.000 0.283 278 N C -0.183 175.347 175.510 0.034 0.000 1.119 278 N CA -0.625 52.446 53.050 0.036 0.000 0.983 278 N CB 0.626 39.130 38.487 0.027 0.000 1.139 278 N HN 0.721 nan 8.380 nan 0.000 0.465 279 I N -2.851 117.738 120.570 0.031 0.000 3.239 279 I HA 0.672 4.842 4.170 -0.000 0.000 0.314 279 I C 0.057 176.179 176.117 0.009 0.000 1.126 279 I CA -0.919 60.383 61.300 0.004 0.000 0.973 279 I CB 2.093 40.079 38.000 -0.023 0.000 1.252 279 I HN 0.417 nan 8.210 nan 0.000 0.463 280 T N -1.251 113.303 114.554 -0.001 0.000 2.912 280 T HA 0.323 4.673 4.350 -0.000 0.000 0.280 280 T C 0.677 175.383 174.700 0.009 0.000 0.989 280 T CA -0.644 61.462 62.100 0.009 0.000 0.995 280 T CB 1.339 70.211 68.868 0.007 0.000 1.077 280 T HN 0.677 nan 8.240 nan 0.000 0.531 281 N N 0.321 119.032 118.700 0.019 0.000 2.120 281 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 281 N C 1.766 177.286 175.510 0.017 0.000 1.024 281 N CA 0.995 54.060 53.050 0.024 0.000 0.852 281 N CB -0.129 38.377 38.487 0.032 0.000 1.003 281 N HN 0.636 nan 8.380 nan 0.000 0.424 282 E N 1.311 121.519 120.200 0.013 0.000 2.085 282 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 282 E C 1.651 178.249 176.600 -0.003 0.000 0.994 282 E CA 0.946 57.351 56.400 0.008 0.000 0.801 282 E CB -0.007 29.698 29.700 0.008 0.000 0.743 282 E HN 0.503 nan 8.360 nan 0.000 0.453 283 E N 0.585 120.776 120.200 -0.014 0.000 2.106 283 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 283 E C 2.336 178.912 176.600 -0.041 0.000 0.984 283 E CA 0.350 56.728 56.400 -0.037 0.000 0.806 283 E CB -0.143 29.524 29.700 -0.055 0.000 0.750 283 E HN 0.148 nan 8.360 nan 0.000 0.458 284 L N 1.161 122.372 121.223 -0.020 0.000 2.042 284 L HA -0.216 4.123 4.340 -0.000 0.000 0.210 284 L C 2.185 179.059 176.870 0.006 0.000 1.076 284 L CA 1.255 56.092 54.840 -0.005 0.000 0.749 284 L CB -0.124 41.947 42.059 0.020 0.000 0.893 284 L HN 0.139 nan 8.230 nan 0.000 0.432 285 L N -0.707 120.524 121.223 0.012 0.000 2.265 285 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 285 L C 1.826 178.705 176.870 0.014 0.000 1.117 285 L CA 1.071 55.923 54.840 0.021 0.000 0.782 285 L CB -0.473 41.601 42.059 0.025 0.000 0.914 285 L HN 0.361 nan 8.230 nan 0.000 0.441 286 E N -0.312 119.886 120.200 -0.003 0.000 2.481 286 E HA 0.175 4.524 4.350 -0.000 0.000 0.198 286 E C 0.382 176.968 176.600 -0.023 0.000 1.027 286 E CA -0.331 56.063 56.400 -0.009 0.000 0.900 286 E CB 0.351 30.044 29.700 -0.013 0.000 0.993 286 E HN 0.367 nan 8.360 nan 0.000 0.482 287 L N 1.610 122.814 121.223 -0.031 0.000 2.492 287 L HA -0.010 4.330 4.340 -0.000 0.000 0.280 287 L C 0.757 177.623 176.870 -0.007 0.000 1.240 287 L CA 0.355 55.169 54.840 -0.044 0.000 0.831 287 L CB 0.128 42.167 42.059 -0.033 0.000 1.100 287 L HN 0.108 nan 8.230 nan 0.000 0.505 288 E N 2.043 122.238 120.200 -0.008 0.000 1.998 288 E HA 0.377 4.726 4.350 -0.000 0.000 0.257 288 E C -0.992 175.625 176.600 0.029 0.000 1.038 288 E CA -0.587 55.819 56.400 0.009 0.000 0.869 288 E CB 0.454 30.153 29.700 -0.001 0.000 1.135 288 E HN 0.378 nan 8.360 nan 0.000 0.430 289 V N 0.769 120.707 119.914 0.040 0.000 3.019 289 V HA 0.394 4.513 4.120 -0.000 0.000 0.317 289 V C 0.686 176.812 176.094 0.053 0.000 1.094 289 V CA -0.790 61.539 62.300 0.049 0.000 1.000 289 V CB 1.873 33.737 31.823 0.068 0.000 1.060 289 V HN 0.389 nan 8.190 nan 0.000 0.443 290 D N 0.505 120.933 120.400 0.047 0.000 2.117 290 D HA 0.027 4.667 4.640 -0.000 0.000 0.198 290 D C 0.520 176.967 176.300 0.246 0.000 0.982 290 D CA 1.560 55.622 54.000 0.103 0.000 0.828 290 D CB 0.310 41.091 40.800 -0.031 0.000 0.967 290 D HN 0.418 nan 8.370 nan 0.000 0.464 291 V N 1.337 121.349 119.914 0.164 0.000 2.638 291 V HA 0.326 4.446 4.120 -0.000 0.000 0.306 291 V C -0.710 175.433 176.094 0.080 0.000 1.052 291 V CA -0.985 61.389 62.300 0.123 0.000 0.885 291 V CB 2.580 34.463 31.823 0.100 0.000 0.999 291 V HN -0.075 nan 8.190 nan 0.000 0.424 292 L N 4.305 125.569 121.223 0.068 0.000 2.325 292 L HA 0.919 5.259 4.340 -0.000 0.000 0.281 292 L C 0.055 176.955 176.870 0.051 0.000 1.004 292 L CA -0.323 54.553 54.840 0.059 0.000 0.823 292 L CB 1.452 43.546 42.059 0.059 0.000 1.236 292 L HN 0.794 nan 8.230 nan 0.000 0.415 293 A N 6.622 129.472 122.820 0.051 0.000 2.536 293 A HA 0.748 5.068 4.320 -0.000 0.000 0.329 293 A C -2.659 174.958 177.584 0.057 0.000 1.321 293 A CA -1.344 50.721 52.037 0.046 0.000 0.804 293 A CB 0.118 19.139 19.000 0.035 0.000 1.126 293 A HN 0.537 nan 8.150 nan 0.000 0.480 294 P HA 0.307 nan 4.420 nan 0.000 0.269 294 P C 0.245 177.582 177.300 0.061 0.000 1.252 294 P CA 0.402 63.538 63.100 0.061 0.000 0.780 294 P CB 1.206 32.942 31.700 0.060 0.000 0.829 295 A N 2.895 125.754 122.820 0.065 0.000 2.643 295 A HA 0.622 4.942 4.320 -0.000 0.000 0.295 295 A C 0.974 178.595 177.584 0.062 0.000 1.065 295 A CA 0.403 52.477 52.037 0.062 0.000 0.986 295 A CB -0.063 18.977 19.000 0.066 0.000 1.212 295 A HN 0.444 nan 8.150 nan 0.000 0.516 296 A N 0.248 123.103 122.820 0.057 0.000 1.949 296 A HA 0.753 5.072 4.320 -0.000 0.000 0.200 296 A C 0.575 178.179 177.584 0.034 0.000 2.254 296 A CA 0.760 52.829 52.037 0.052 0.000 1.206 296 A CB 0.065 19.101 19.000 0.060 0.000 1.110 296 A HN 0.831 nan 8.150 nan 0.000 0.628 297 I N -1.276 119.313 120.570 0.032 0.000 3.294 297 I HA 0.689 4.859 4.170 -0.000 0.000 0.311 297 I C -1.212 174.916 176.117 0.019 0.000 1.111 297 I CA -0.899 60.411 61.300 0.017 0.000 0.976 297 I CB 0.782 38.791 38.000 0.015 0.000 1.260 297 I HN 0.440 nan 8.210 nan 0.000 0.474 298 E N 0.409 120.612 120.200 0.005 0.000 2.318 298 E HA 0.340 4.690 4.350 -0.000 0.000 0.265 298 E C -0.812 175.796 176.600 0.013 0.000 1.069 298 E CA -0.501 55.903 56.400 0.006 0.000 0.893 298 E CB 0.239 29.928 29.700 -0.019 0.000 1.076 298 E HN 0.569 nan 8.360 nan 0.000 0.414 299 E N -0.512 119.700 120.200 0.020 0.000 2.389 299 E HA -0.211 4.139 4.350 -0.000 0.000 0.243 299 E C 0.569 177.185 176.600 0.027 0.000 1.154 299 E CA 0.545 56.959 56.400 0.023 0.000 0.723 299 E CB -1.700 28.008 29.700 0.013 0.000 1.261 299 E HN 0.481 nan 8.360 nan 0.000 0.390 300 V N -3.066 116.868 119.914 0.034 0.000 3.506 300 V HA 0.195 4.314 4.120 -0.000 0.000 0.263 300 V C 0.986 177.103 176.094 0.038 0.000 1.203 300 V CA 0.563 62.884 62.300 0.034 0.000 1.133 300 V CB 0.136 31.982 31.823 0.037 0.000 0.802 300 V HN 0.272 nan 8.190 nan 0.000 0.459 301 I N 2.782 123.378 120.570 0.044 0.000 2.390 301 I HA 0.518 4.688 4.170 -0.000 0.000 0.283 301 I C 0.288 176.433 176.117 0.046 0.000 1.016 301 I CA 0.068 61.396 61.300 0.047 0.000 1.151 301 I CB 1.582 39.617 38.000 0.059 0.000 1.293 301 I HN 0.371 nan 8.210 nan 0.000 0.458 302 T N 1.534 116.112 114.554 0.039 0.000 2.724 302 T HA 0.365 4.715 4.350 -0.000 0.000 0.274 302 T C 1.093 175.814 174.700 0.036 0.000 0.984 302 T CA -0.802 61.319 62.100 0.035 0.000 1.024 302 T CB 1.579 70.463 68.868 0.027 0.000 1.320 302 T HN 0.621 nan 8.240 nan 0.000 0.555 303 K N 0.446 120.864 120.400 0.031 0.000 2.152 303 K HA -0.107 4.212 4.320 -0.000 0.000 0.206 303 K C 1.939 178.556 176.600 0.027 0.000 1.048 303 K CA 0.910 57.216 56.287 0.030 0.000 0.933 303 K CB -0.260 32.255 32.500 0.026 0.000 0.721 303 K HN 0.356 nan 8.250 nan 0.000 0.447 304 K N 1.198 121.613 120.400 0.024 0.000 2.020 304 K HA -0.151 4.169 4.320 -0.000 0.000 0.212 304 K C 1.589 178.201 176.600 0.021 0.000 1.050 304 K CA 2.103 58.403 56.287 0.021 0.000 0.929 304 K CB -0.202 32.309 32.500 0.019 0.000 0.714 304 K HN 0.543 nan 8.250 nan 0.000 0.443 305 N N -1.093 117.622 118.700 0.025 0.000 2.181 305 N HA 0.079 4.819 4.740 -0.000 0.000 0.207 305 N C 1.346 176.874 175.510 0.030 0.000 1.182 305 N CA 0.632 53.697 53.050 0.024 0.000 0.893 305 N CB 0.034 38.535 38.487 0.022 0.000 1.032 305 N HN -0.024 nan 8.380 nan 0.000 0.513 306 A N 1.385 124.227 122.820 0.037 0.000 1.971 306 A HA -0.246 4.074 4.320 -0.000 0.000 0.222 306 A C 1.852 179.461 177.584 0.042 0.000 1.182 306 A CA 1.953 54.018 52.037 0.046 0.000 0.649 306 A CB -0.774 18.259 19.000 0.054 0.000 0.818 306 A HN 0.266 nan 8.150 nan 0.000 0.458 307 D N -0.506 119.915 120.400 0.035 0.000 2.263 307 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 307 D C 1.133 177.447 176.300 0.024 0.000 0.971 307 D CA 1.149 55.166 54.000 0.030 0.000 0.867 307 D CB -0.314 40.502 40.800 0.025 0.000 0.929 307 D HN 0.718 nan 8.370 nan 0.000 0.492 308 N N -0.632 118.081 118.700 0.022 0.000 2.336 308 N HA 0.071 4.810 4.740 -0.000 0.000 0.189 308 N C -0.078 175.444 175.510 0.019 0.000 1.113 308 N CA -0.310 52.749 53.050 0.016 0.000 0.858 308 N CB 0.573 39.067 38.487 0.011 0.000 0.970 308 N HN 0.040 nan 8.380 nan 0.000 0.471 309 I N 1.319 121.906 120.570 0.028 0.000 2.533 309 I HA -0.037 4.133 4.170 -0.000 0.000 0.284 309 I C 1.152 177.288 176.117 0.032 0.000 1.109 309 I CA 0.547 61.866 61.300 0.033 0.000 1.412 309 I CB 1.004 39.031 38.000 0.044 0.000 1.396 309 I HN -0.021 nan 8.210 nan 0.000 0.543 310 K N 4.638 125.056 120.400 0.030 0.000 2.360 310 K HA 0.358 4.678 4.320 -0.000 0.000 0.196 310 K C 0.630 177.256 176.600 0.044 0.000 1.049 310 K CA -0.071 56.234 56.287 0.030 0.000 1.049 310 K CB 0.452 32.962 32.500 0.017 0.000 0.881 310 K HN 0.719 nan 8.250 nan 0.000 0.542 311 A N 1.443 124.296 122.820 0.055 0.000 2.466 311 A HA 0.039 4.359 4.320 -0.000 0.000 0.238 311 A C 0.480 178.123 177.584 0.098 0.000 1.074 311 A CA 0.115 52.199 52.037 0.079 0.000 0.774 311 A CB 0.393 19.439 19.000 0.078 0.000 1.015 311 A HN 0.159 nan 8.150 nan 0.000 0.498 312 K N 0.576 121.069 120.400 0.156 0.000 2.186 312 K HA 0.216 4.536 4.320 -0.000 0.000 0.202 312 K C -0.237 176.434 176.600 0.118 0.000 1.052 312 K CA 0.981 57.381 56.287 0.188 0.000 0.965 312 K CB 0.076 32.809 32.500 0.388 0.000 0.746 312 K HN 0.670 nan 8.250 nan 0.000 0.457 313 I N 1.096 121.731 120.570 0.108 0.000 2.436 313 I HA 0.186 4.355 4.170 -0.000 0.000 0.289 313 I C -1.074 175.067 176.117 0.040 0.000 1.010 313 I CA -1.011 60.302 61.300 0.021 0.000 1.098 313 I CB 2.351 40.307 38.000 -0.073 0.000 1.266 313 I HN -0.295 nan 8.210 nan 0.000 0.434 314 V N 5.923 125.859 119.914 0.037 0.000 2.294 314 V HA 0.466 4.586 4.120 -0.000 0.000 0.272 314 V C 0.417 176.534 176.094 0.040 0.000 1.027 314 V CA -0.488 61.841 62.300 0.049 0.000 0.823 314 V CB 1.312 33.175 31.823 0.067 0.000 1.030 314 V HN 0.815 nan 8.190 nan 0.000 0.457 315 A N 4.538 127.374 122.820 0.026 0.000 2.316 315 A HA 0.476 4.796 4.320 -0.000 0.000 0.311 315 A C 0.368 177.974 177.584 0.037 0.000 1.339 315 A CA -0.492 51.554 52.037 0.015 0.000 0.960 315 A CB -0.110 18.880 19.000 -0.017 0.000 1.152 315 A HN 0.850 nan 8.150 nan 0.000 0.547 316 E N 2.809 123.041 120.200 0.054 0.000 1.881 316 E HA 0.132 4.482 4.350 -0.000 0.000 0.264 316 E C 0.546 177.190 176.600 0.073 0.000 1.243 316 E CA -0.338 56.108 56.400 0.076 0.000 0.965 316 E CB 0.556 30.321 29.700 0.108 0.000 1.055 316 E HN 0.474 nan 8.360 nan 0.000 0.412 317 V N 2.328 122.279 119.914 0.062 0.000 2.446 317 V HA -0.088 4.032 4.120 -0.000 0.000 0.244 317 V C 1.137 177.274 176.094 0.071 0.000 1.039 317 V CA 1.466 63.800 62.300 0.057 0.000 1.045 317 V CB -0.160 31.688 31.823 0.042 0.000 0.681 317 V HN 0.651 nan 8.190 nan 0.000 0.459 318 A N 0.514 123.376 122.820 0.070 0.000 2.280 318 A HA 0.306 4.626 4.320 -0.000 0.000 0.268 318 A C 0.187 177.824 177.584 0.089 0.000 1.111 318 A CA -0.343 51.731 52.037 0.063 0.000 0.814 318 A CB -0.045 18.985 19.000 0.050 0.000 1.093 318 A HN 0.451 nan 8.150 nan 0.000 0.498 319 N N 0.130 118.866 118.700 0.061 0.000 2.472 319 N HA 0.382 5.121 4.740 -0.000 0.000 0.277 319 N C 0.753 176.275 175.510 0.021 0.000 1.081 319 N CA 1.148 54.228 53.050 0.051 0.000 0.973 319 N CB 1.117 39.555 38.487 -0.082 0.000 1.105 319 N HN 1.203 nan 8.380 nan 0.000 0.470 320 G N 3.339 112.188 108.800 0.081 0.000 2.395 320 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.300 320 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.300 320 G C -1.435 173.499 174.900 0.056 0.000 0.998 320 G CA -0.284 44.858 45.100 0.070 0.000 1.046 320 G HN 0.510 nan 8.290 nan 0.000 0.513 321 P HA 0.104 nan 4.420 nan 0.000 0.225 321 P C 0.607 177.945 177.300 0.063 0.000 1.156 321 P CA 0.697 63.833 63.100 0.060 0.000 0.787 321 P CB 0.516 32.256 31.700 0.066 0.000 0.802 322 V N 1.024 120.986 119.914 0.079 0.000 2.417 322 V HA 0.279 4.398 4.120 -0.000 0.000 0.291 322 V C 0.762 176.896 176.094 0.067 0.000 1.024 322 V CA -0.616 61.731 62.300 0.078 0.000 0.861 322 V CB 1.359 33.244 31.823 0.103 0.000 0.985 322 V HN 0.085 nan 8.190 nan 0.000 0.436 323 T N 2.832 117.417 114.554 0.051 0.000 2.849 323 T HA 0.327 4.677 4.350 -0.000 0.000 0.284 323 T C -1.733 172.983 174.700 0.027 0.000 1.004 323 T CA -1.735 60.386 62.100 0.035 0.000 1.021 323 T CB 1.419 70.303 68.868 0.026 0.000 1.013 323 T HN 0.421 nan 8.240 nan 0.000 0.527 324 P HA -0.088 nan 4.420 nan 0.000 0.216 324 P C 1.097 178.396 177.300 -0.002 0.000 1.150 324 P CA 1.162 64.251 63.100 -0.020 0.000 0.837 324 P CB 0.013 31.697 31.700 -0.027 0.000 0.786 325 E N -0.010 120.198 120.200 0.014 0.000 2.106 325 E HA -0.074 4.275 4.350 -0.000 0.000 0.192 325 E C 2.156 178.785 176.600 0.049 0.000 0.984 325 E CA 1.411 57.827 56.400 0.027 0.000 0.806 325 E CB -1.337 28.377 29.700 0.023 0.000 0.750 325 E HN 0.179 nan 8.360 nan 0.000 0.458 326 A N 1.208 124.060 122.820 0.053 0.000 2.015 326 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 326 A C 1.524 179.176 177.584 0.113 0.000 1.163 326 A CA 1.452 53.533 52.037 0.075 0.000 0.646 326 A CB -0.352 18.689 19.000 0.069 0.000 0.806 326 A HN 0.067 nan 8.150 nan 0.000 0.448 327 D N -0.191 120.272 120.400 0.105 0.000 2.117 327 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 327 D C 1.849 178.310 176.300 0.269 0.000 0.987 327 D CA 1.518 55.628 54.000 0.183 0.000 0.829 327 D CB -0.262 40.509 40.800 -0.048 0.000 0.961 327 D HN 0.603 nan 8.370 nan 0.000 0.460 328 E N 0.126 120.427 120.200 0.168 0.000 2.058 328 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 328 E C 2.280 179.020 176.600 0.234 0.000 0.997 328 E CA 0.756 57.274 56.400 0.196 0.000 0.801 328 E CB -0.094 29.671 29.700 0.109 0.000 0.746 328 E HN 0.269 nan 8.360 nan 0.000 0.450 329 I N 0.398 121.063 120.570 0.159 0.000 2.163 329 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 329 I C 2.144 178.339 176.117 0.130 0.000 1.085 329 I CA 1.035 62.410 61.300 0.124 0.000 1.347 329 I CB -0.240 37.812 38.000 0.087 0.000 1.044 329 I HN 0.144 nan 8.210 nan 0.000 0.408 330 L N -0.659 120.659 121.223 0.157 0.000 2.141 330 L HA -0.195 4.144 4.340 -0.000 0.000 0.209 330 L C 2.533 179.478 176.870 0.125 0.000 1.094 330 L CA 1.081 55.999 54.840 0.131 0.000 0.763 330 L CB -0.625 41.522 42.059 0.148 0.000 0.908 330 L HN 0.219 nan 8.230 nan 0.000 0.437 331 F N 1.381 121.357 119.950 0.043 0.000 2.084 331 F HA -0.177 4.349 4.527 -0.000 0.000 0.296 331 F C 2.546 178.348 175.800 0.002 0.000 1.111 331 F CA 1.527 59.521 58.000 -0.009 0.000 1.224 331 F CB -0.180 38.851 39.000 0.053 0.000 0.991 331 F HN 0.036 nan 8.300 nan 0.000 0.471 332 E N 0.466 120.661 120.200 -0.010 0.000 2.118 332 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 332 E C 1.974 178.498 176.600 -0.127 0.000 0.992 332 E CA 1.348 57.685 56.400 -0.105 0.000 0.804 332 E CB -0.479 29.241 29.700 0.032 0.000 0.741 332 E HN 0.517 nan 8.360 nan 0.000 0.458 333 K N -0.248 120.116 120.400 -0.061 0.000 2.504 333 K HA -0.026 4.293 4.320 -0.000 0.000 0.195 333 K C 1.081 177.636 176.600 -0.075 0.000 1.036 333 K CA 0.561 56.821 56.287 -0.044 0.000 0.984 333 K CB 0.091 32.591 32.500 -0.000 0.000 0.788 333 K HN 0.289 nan 8.250 nan 0.000 0.488 334 G N 1.871 110.577 108.800 -0.157 0.000 2.143 334 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.248 334 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.248 334 G C 0.146 175.003 174.900 -0.072 0.000 0.991 334 G CA -0.167 44.841 45.100 -0.153 0.000 0.689 334 G HN 0.256 nan 8.290 nan 0.000 0.522 335 I N 0.583 121.130 120.570 -0.039 0.000 2.471 335 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 335 I C 0.665 176.781 176.117 -0.001 0.000 1.079 335 I CA -0.753 60.551 61.300 0.007 0.000 1.398 335 I CB 1.085 39.107 38.000 0.037 0.000 1.403 335 I HN 0.099 nan 8.210 nan 0.000 0.530 336 L N 8.065 129.290 121.223 0.005 0.000 2.278 336 L HA 0.241 4.581 4.340 -0.000 0.000 0.287 336 L C -0.297 176.582 176.870 0.015 0.000 1.072 336 L CA 0.286 55.129 54.840 0.004 0.000 0.819 336 L CB 0.615 42.676 42.059 0.003 0.000 1.176 336 L HN 0.530 nan 8.230 nan 0.000 0.435 337 Q N 5.320 125.124 119.800 0.008 0.000 2.256 337 Q HA 0.509 4.848 4.340 -0.000 0.000 0.257 337 Q C -0.902 175.130 176.000 0.052 0.000 0.936 337 Q CA -0.334 55.500 55.803 0.053 0.000 0.903 337 Q CB 2.164 30.980 28.738 0.130 0.000 1.263 337 Q HN 0.617 nan 8.270 nan 0.000 0.440 338 I N 5.020 125.623 120.570 0.056 0.000 2.307 338 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 338 I C -2.082 174.046 176.117 0.020 0.000 1.054 338 I CA -2.313 59.014 61.300 0.046 0.000 1.218 338 I CB 0.497 38.529 38.000 0.053 0.000 1.398 338 I HN 0.294 nan 8.210 nan 0.000 0.475 339 P HA -0.005 nan 4.420 nan 0.000 0.266 339 P C 0.106 177.382 177.300 -0.040 0.000 1.195 339 P CA -0.047 63.044 63.100 -0.015 0.000 0.768 339 P CB 0.693 32.348 31.700 -0.075 0.000 0.838 340 D N 4.083 124.562 120.400 0.132 0.000 2.230 340 D HA -0.313 4.327 4.640 -0.000 0.000 0.189 340 D C 1.532 177.948 176.300 0.193 0.000 1.006 340 D CA 1.937 56.070 54.000 0.221 0.000 0.853 340 D CB -1.785 39.242 40.800 0.379 0.000 0.959 340 D HN 0.513 nan 8.370 nan 0.000 0.449 341 F N -0.171 119.806 119.950 0.046 0.000 2.408 341 F HA 0.076 4.602 4.527 -0.000 0.000 0.300 341 F C 1.971 177.697 175.800 -0.122 0.000 1.090 341 F CA 0.548 58.452 58.000 -0.161 0.000 1.427 341 F CB -0.472 38.075 39.000 -0.755 0.000 1.070 341 F HN 0.135 nan 8.300 nan 0.000 0.549 342 L N -0.066 120.887 121.223 -0.450 0.000 2.262 342 L HA 0.115 4.455 4.340 -0.000 0.000 0.197 342 L C 2.413 179.220 176.870 -0.104 0.000 1.073 342 L CA 1.344 55.994 54.840 -0.315 0.000 0.800 342 L CB -1.134 40.694 42.059 -0.384 0.000 0.987 342 L HN 0.344 nan 8.230 nan 0.000 0.470 343 C N 1.924 121.183 119.300 -0.068 0.000 2.413 343 C HA -0.128 4.331 4.460 -0.000 0.000 0.276 343 C C 2.318 177.318 174.990 0.016 0.000 1.236 343 C CA 1.384 60.398 59.018 -0.007 0.000 1.735 343 C CB -1.439 26.308 27.740 0.010 0.000 2.031 343 C HN 0.882 nan 8.230 nan 0.000 0.474 344 N N 0.856 119.584 118.700 0.046 0.000 2.313 344 N HA 0.223 4.962 4.740 -0.000 0.000 0.207 344 N C 0.866 176.412 175.510 0.060 0.000 1.141 344 N CA 0.860 53.945 53.050 0.059 0.000 0.830 344 N CB -0.514 38.026 38.487 0.089 0.000 1.008 344 N HN 0.446 nan 8.380 nan 0.000 0.481 345 A N -0.226 122.622 122.820 0.046 0.000 2.239 345 A HA 0.239 4.558 4.320 -0.000 0.000 0.209 345 A C 2.018 179.620 177.584 0.030 0.000 1.171 345 A CA 0.623 52.685 52.037 0.043 0.000 0.768 345 A CB -1.053 17.962 19.000 0.024 0.000 0.790 345 A HN 0.428 nan 8.150 nan 0.000 0.478 346 G N -0.313 108.506 108.800 0.032 0.000 2.471 346 G HA2 0.064 4.024 3.960 -0.000 0.000 0.219 346 G HA3 0.064 4.024 3.960 -0.000 0.000 0.219 346 G C 1.360 176.264 174.900 0.007 0.000 1.125 346 G CA 1.011 46.131 45.100 0.032 0.000 0.775 346 G HN 0.582 nan 8.290 nan 0.000 0.548 347 G N 0.298 109.104 108.800 0.009 0.000 2.404 347 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 347 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 347 G C 1.746 176.645 174.900 -0.001 0.000 1.174 347 G CA 1.077 46.177 45.100 0.000 0.000 0.780 347 G HN 0.341 nan 8.290 nan 0.000 0.537 348 V N 0.917 120.839 119.914 0.013 0.000 2.515 348 V HA -0.122 3.998 4.120 -0.000 0.000 0.250 348 V C 2.970 179.077 176.094 0.020 0.000 1.058 348 V CA 2.829 65.146 62.300 0.028 0.000 1.064 348 V CB -0.642 31.207 31.823 0.044 0.000 0.675 348 V HN 0.405 nan 8.190 nan 0.000 0.461 349 T N -0.276 114.248 114.554 -0.050 0.000 2.746 349 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 349 T C 1.826 176.270 174.700 -0.427 0.000 1.039 349 T CA 1.744 63.724 62.100 -0.199 0.000 1.142 349 T CB -0.193 68.555 68.868 -0.200 0.000 0.866 349 T HN 0.374 nan 8.240 nan 0.000 0.444 350 V N 2.152 121.935 119.914 -0.219 0.000 2.667 350 V HA -0.120 3.999 4.120 -0.000 0.000 0.252 350 V C 2.772 178.856 176.094 -0.016 0.000 1.065 350 V CA 1.698 63.934 62.300 -0.107 0.000 1.083 350 V CB -0.660 31.197 31.823 0.056 0.000 0.692 350 V HN 0.659 nan 8.190 nan 0.000 0.468 351 S N -0.052 115.653 115.700 0.009 0.000 2.383 351 S HA -0.272 4.197 4.470 -0.000 0.000 0.227 351 S C 2.060 176.763 174.600 0.172 0.000 1.026 351 S CA 1.553 59.791 58.200 0.065 0.000 0.981 351 S CB -0.746 62.478 63.200 0.040 0.000 0.818 351 S HN 0.638 nan 8.310 nan 0.000 0.472 352 Y N 1.981 122.323 120.300 0.071 0.000 2.207 352 Y HA -0.060 4.489 4.550 -0.001 0.000 0.287 352 Y C 1.641 177.710 175.900 0.282 0.000 1.156 352 Y CA 1.155 59.368 58.100 0.188 0.000 1.182 352 Y CB -0.724 37.716 38.460 -0.034 0.000 0.979 352 Y HN 0.248 nan 8.280 nan 0.000 0.521 353 F N 0.885 120.744 119.950 -0.151 0.000 2.206 353 F HA -0.064 4.463 4.527 -0.001 0.000 0.298 353 F C 2.572 178.069 175.800 -0.505 0.000 1.090 353 F CA 1.252 58.974 58.000 -0.463 0.000 1.323 353 F CB -1.232 37.584 39.000 -0.308 0.000 1.028 353 F HN 0.224 nan 8.300 nan 0.000 0.492 354 E N -0.545 119.628 120.200 -0.045 0.000 2.058 354 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 354 E C 2.246 178.821 176.600 -0.041 0.000 0.997 354 E CA 1.675 58.032 56.400 -0.072 0.000 0.801 354 E CB -0.521 29.188 29.700 0.014 0.000 0.746 354 E HN 0.436 nan 8.360 nan 0.000 0.450 355 W N 0.975 122.207 121.300 -0.113 0.000 2.318 355 W HA -0.262 4.397 4.660 -0.001 0.000 0.313 355 W C 1.989 178.434 176.519 -0.124 0.000 1.221 355 W CA 1.959 59.270 57.345 -0.057 0.000 1.266 355 W CB -0.593 28.927 29.460 0.099 0.000 1.150 355 W HN -0.054 nan 8.180 nan 0.000 0.496 356 V N 0.961 120.760 119.914 -0.190 0.000 2.287 356 V HA -0.376 3.744 4.120 -0.000 0.000 0.248 356 V C 2.348 178.182 176.094 -0.434 0.000 1.053 356 V CA 2.529 64.589 62.300 -0.400 0.000 1.027 356 V CB -1.219 30.433 31.823 -0.285 0.000 0.646 356 V HN 0.296 nan 8.190 nan 0.000 0.447 357 Q N -0.044 119.407 119.800 -0.582 0.000 2.124 357 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 357 Q C 2.102 177.682 176.000 -0.700 0.000 0.977 357 Q CA 1.954 57.294 55.803 -0.771 0.000 0.850 357 Q CB -0.328 27.767 28.738 -1.072 0.000 0.901 357 Q HN 0.754 nan 8.270 nan 0.000 0.429 358 N N 0.655 119.119 118.700 -0.394 0.000 2.106 358 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 358 N C 2.046 177.457 175.510 -0.164 0.000 1.029 358 N CA 1.289 54.268 53.050 -0.118 0.000 0.848 358 N CB -0.199 38.309 38.487 0.034 0.000 1.007 358 N HN 0.341 nan 8.380 nan 0.000 0.423 359 I N -0.862 119.511 120.570 -0.330 0.000 2.439 359 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 359 I C 2.127 178.132 176.117 -0.186 0.000 1.139 359 I CA 1.217 62.334 61.300 -0.305 0.000 1.438 359 I CB -0.648 37.047 38.000 -0.509 0.000 1.085 359 I HN 0.068 nan 8.210 nan 0.000 0.427 360 T N -2.159 112.276 114.554 -0.198 0.000 3.067 360 T HA 0.344 4.693 4.350 -0.000 0.000 0.257 360 T C 1.717 176.396 174.700 -0.036 0.000 1.105 360 T CA 0.501 62.546 62.100 -0.093 0.000 1.104 360 T CB 0.015 68.853 68.868 -0.051 0.000 0.925 360 T HN 0.731 nan 8.240 nan 0.000 0.498 361 G N 0.516 109.262 108.800 -0.090 0.000 2.162 361 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 361 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 361 G C -0.186 174.761 174.900 0.079 0.000 0.976 361 G CA 0.392 45.508 45.100 0.026 0.000 0.655 361 G HN 0.742 nan 8.290 nan 0.000 0.533 362 Y N 0.546 120.720 120.300 -0.210 0.000 2.328 362 Y HA 0.661 5.211 4.550 -0.001 0.000 0.336 362 Y C -0.229 175.534 175.900 -0.228 0.000 0.960 362 Y CA -1.750 56.318 58.100 -0.052 0.000 1.134 362 Y CB 0.876 39.365 38.460 0.049 0.000 1.166 362 Y HN 0.137 nan 8.280 nan 0.000 0.464 363 Y N 4.145 124.281 120.300 -0.274 0.000 2.334 363 Y HA 0.307 4.857 4.550 -0.001 0.000 0.328 363 Y C -0.601 175.299 175.900 0.001 0.000 1.130 363 Y CA -0.615 57.373 58.100 -0.187 0.000 1.163 363 Y CB 0.674 39.037 38.460 -0.161 0.000 1.207 363 Y HN 0.514 nan 8.280 nan 0.000 0.471 364 W N 0.992 122.260 121.300 -0.054 0.000 2.497 364 W HA 0.478 5.137 4.660 -0.001 0.000 0.359 364 W C 0.071 176.573 176.519 -0.029 0.000 1.131 364 W CA -1.749 55.557 57.345 -0.066 0.000 1.280 364 W CB 0.548 29.963 29.460 -0.074 0.000 1.319 364 W HN 0.474 nan 8.180 nan 0.000 0.626 365 T N -1.061 113.624 114.554 0.217 0.000 2.849 365 T HA 0.189 4.538 4.350 -0.000 0.000 0.284 365 T C 0.914 175.698 174.700 0.138 0.000 1.004 365 T CA -0.547 61.628 62.100 0.124 0.000 1.021 365 T CB 1.188 70.096 68.868 0.067 0.000 1.013 365 T HN 0.305 nan 8.240 nan 0.000 0.527 366 I N 0.869 121.498 120.570 0.098 0.000 2.335 366 I HA -0.098 4.071 4.170 -0.000 0.000 0.251 366 I C 2.080 178.256 176.117 0.098 0.000 1.129 366 I CA 1.628 62.988 61.300 0.100 0.000 1.402 366 I CB -0.464 37.580 38.000 0.073 0.000 1.069 366 I HN 0.782 nan 8.210 nan 0.000 0.424 367 E N 0.354 120.595 120.200 0.069 0.000 2.107 367 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 367 E C 2.087 178.704 176.600 0.030 0.000 0.982 367 E CA 1.342 57.771 56.400 0.048 0.000 0.809 367 E CB -0.293 29.421 29.700 0.023 0.000 0.756 367 E HN 0.558 nan 8.360 nan 0.000 0.459 368 E N 0.318 120.526 120.200 0.012 0.000 2.077 368 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 368 E C 2.069 178.648 176.600 -0.035 0.000 0.989 368 E CA 1.068 57.415 56.400 -0.088 0.000 0.800 368 E CB -0.015 29.580 29.700 -0.175 0.000 0.746 368 E HN 0.046 nan 8.360 nan 0.000 0.452 369 V N 1.088 121.096 119.914 0.157 0.000 2.287 369 V HA -0.300 3.819 4.120 -0.000 0.000 0.248 369 V C 2.262 178.505 176.094 0.248 0.000 1.053 369 V CA 1.959 64.413 62.300 0.257 0.000 1.027 369 V CB -0.414 31.588 31.823 0.298 0.000 0.646 369 V HN 0.188 nan 8.190 nan 0.000 0.447 370 R N -0.130 120.488 120.500 0.197 0.000 2.081 370 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 370 R C 2.433 178.843 176.300 0.183 0.000 1.131 370 R CA 1.806 58.049 56.100 0.238 0.000 0.960 370 R CB -0.374 30.050 30.300 0.206 0.000 0.856 370 R HN 0.779 nan 8.270 nan 0.000 0.436 371 E N 1.008 121.250 120.200 0.070 0.000 2.072 371 E HA -0.219 4.130 4.350 -0.000 0.000 0.191 371 E C 1.911 178.500 176.600 -0.017 0.000 0.985 371 E CA 1.087 57.480 56.400 -0.012 0.000 0.801 371 E CB -0.004 29.666 29.700 -0.050 0.000 0.750 371 E HN 0.241 nan 8.360 nan 0.000 0.452 372 R N 0.040 120.527 120.500 -0.022 0.000 2.092 372 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 372 R C 2.554 179.050 176.300 0.326 0.000 1.119 372 R CA 1.041 57.156 56.100 0.024 0.000 0.970 372 R CB -0.363 29.746 30.300 -0.317 0.000 0.864 372 R HN 0.224 nan 8.270 nan 0.000 0.440 373 L N 1.509 123.007 121.223 0.458 0.000 2.042 373 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 373 L C 1.873 178.887 176.870 0.239 0.000 1.076 373 L CA 1.979 57.131 54.840 0.521 0.000 0.749 373 L CB -0.613 41.779 42.059 0.554 0.000 0.893 373 L HN 0.124 nan 8.230 nan 0.000 0.432 374 D N -0.298 120.069 120.400 -0.055 0.000 2.104 374 D HA -0.236 4.404 4.640 -0.000 0.000 0.194 374 D C 2.051 178.214 176.300 -0.229 0.000 0.994 374 D CA 1.546 55.156 54.000 -0.650 0.000 0.830 374 D CB 0.028 40.297 40.800 -0.886 0.000 0.959 374 D HN 0.413 nan 8.370 nan 0.000 0.452 375 K N 0.011 120.368 120.400 -0.072 0.000 2.097 375 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 375 K C 2.287 178.931 176.600 0.074 0.000 1.049 375 K CA 0.780 57.070 56.287 0.006 0.000 0.933 375 K CB 0.089 32.602 32.500 0.022 0.000 0.717 375 K HN 0.053 nan 8.250 nan 0.000 0.442 376 K N 0.351 120.834 120.400 0.139 0.000 2.025 376 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 376 K C 2.138 178.807 176.600 0.116 0.000 1.049 376 K CA 1.113 57.490 56.287 0.150 0.000 0.933 376 K CB -0.082 32.543 32.500 0.208 0.000 0.714 376 K HN 0.129 nan 8.250 nan 0.000 0.438 377 M N 0.534 120.211 119.600 0.129 0.000 2.086 377 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 377 M C 2.204 178.580 176.300 0.127 0.000 1.067 377 M CA 1.634 57.017 55.300 0.138 0.000 1.116 377 M CB -1.578 31.162 32.600 0.233 0.000 1.348 377 M HN 0.068 nan 8.290 nan 0.000 0.407 378 T N 0.572 115.185 114.554 0.099 0.000 2.684 378 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 378 T C 1.974 176.831 174.700 0.262 0.000 1.036 378 T CA 1.439 63.628 62.100 0.148 0.000 1.148 378 T CB -0.148 68.788 68.868 0.112 0.000 0.863 378 T HN 0.341 nan 8.240 nan 0.000 0.436 379 K N 0.935 121.450 120.400 0.192 0.000 2.032 379 K HA -0.091 4.228 4.320 -0.000 0.000 0.209 379 K C 2.553 179.248 176.600 0.159 0.000 1.048 379 K CA 1.449 57.849 56.287 0.187 0.000 0.927 379 K CB -0.379 32.190 32.500 0.115 0.000 0.712 379 K HN 0.304 nan 8.250 nan 0.000 0.441 380 A N 0.695 123.578 122.820 0.106 0.000 1.933 380 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 380 A C 1.981 179.572 177.584 0.012 0.000 1.175 380 A CA 1.310 53.374 52.037 0.044 0.000 0.628 380 A CB -0.750 18.264 19.000 0.024 0.000 0.814 380 A HN 0.509 nan 8.150 nan 0.000 0.444 381 F N -0.539 119.348 119.950 -0.105 0.000 2.095 381 F HA -0.223 4.303 4.527 -0.001 0.000 0.298 381 F C 2.072 177.715 175.800 -0.262 0.000 1.104 381 F CA 1.957 59.811 58.000 -0.244 0.000 1.232 381 F CB -0.368 38.400 39.000 -0.386 0.000 0.987 381 F HN 0.298 nan 8.300 nan 0.000 0.475 382 Y N 0.566 120.925 120.300 0.097 0.000 2.314 382 Y HA -0.159 4.391 4.550 -0.001 0.000 0.293 382 Y C 2.339 178.223 175.900 -0.027 0.000 1.129 382 Y CA 1.340 59.469 58.100 0.049 0.000 1.201 382 Y CB -0.939 37.603 38.460 0.137 0.000 0.999 382 Y HN 0.065 nan 8.280 nan 0.000 0.541 383 D N -0.481 119.974 120.400 0.093 0.000 2.149 383 D HA -0.156 4.483 4.640 -0.000 0.000 0.198 383 D C 2.304 178.562 176.300 -0.071 0.000 0.990 383 D CA 1.274 55.286 54.000 0.021 0.000 0.839 383 D CB -0.311 40.491 40.800 0.003 0.000 0.948 383 D HN 0.166 nan 8.370 nan 0.000 0.460 384 V N 0.234 120.047 119.914 -0.169 0.000 2.323 384 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 384 V C 2.157 178.092 176.094 -0.265 0.000 1.041 384 V CA 1.156 63.314 62.300 -0.236 0.000 1.025 384 V CB -0.646 30.992 31.823 -0.308 0.000 0.656 384 V HN 0.158 nan 8.190 nan 0.000 0.451 385 Y N 1.860 121.865 120.300 -0.492 0.000 2.165 385 Y HA -0.282 4.268 4.550 -0.001 0.000 0.286 385 Y C 2.262 178.053 175.900 -0.182 0.000 1.155 385 Y CA 2.222 60.053 58.100 -0.448 0.000 1.164 385 Y CB -0.600 37.414 38.460 -0.743 0.000 0.978 385 Y HN 0.386 nan 8.280 nan 0.000 0.513 386 N N -0.108 118.500 118.700 -0.152 0.000 2.166 386 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 386 N C 1.804 177.199 175.510 -0.191 0.000 1.019 386 N CA 1.503 54.466 53.050 -0.144 0.000 0.856 386 N CB -0.156 38.341 38.487 0.018 0.000 0.993 386 N HN 0.348 nan 8.380 nan 0.000 0.426 387 I N 0.864 121.332 120.570 -0.171 0.000 2.353 387 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 387 I C 2.427 178.427 176.117 -0.195 0.000 1.119 387 I CA 0.493 61.704 61.300 -0.148 0.000 1.417 387 I CB -0.392 37.537 38.000 -0.119 0.000 1.078 387 I HN 0.169 nan 8.210 nan 0.000 0.421 388 A N 0.737 123.397 122.820 -0.266 0.000 1.902 388 A HA -0.237 4.082 4.320 -0.000 0.000 0.217 388 A C 2.427 179.869 177.584 -0.237 0.000 1.181 388 A CA 1.579 53.463 52.037 -0.254 0.000 0.623 388 A CB -0.471 18.362 19.000 -0.278 0.000 0.818 388 A HN 0.238 nan 8.150 nan 0.000 0.443 389 K N -0.412 119.763 120.400 -0.374 0.000 1.985 389 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 389 K C 2.150 178.654 176.600 -0.160 0.000 1.047 389 K CA 1.779 57.878 56.287 -0.313 0.000 0.932 389 K CB -0.299 31.924 32.500 -0.461 0.000 0.716 389 K HN 0.667 nan 8.250 nan 0.000 0.439 390 E N 0.681 120.791 120.200 -0.150 0.000 2.118 390 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 390 E C 1.095 177.660 176.600 -0.059 0.000 0.992 390 E CA 1.423 57.773 56.400 -0.083 0.000 0.804 390 E CB 0.178 29.834 29.700 -0.073 0.000 0.741 390 E HN 0.224 nan 8.360 nan 0.000 0.458 391 K N 0.002 120.357 120.400 -0.075 0.000 2.358 391 K HA 0.069 4.389 4.320 -0.000 0.000 0.197 391 K C 0.163 176.752 176.600 -0.018 0.000 1.025 391 K CA 0.225 56.489 56.287 -0.039 0.000 1.104 391 K CB 0.147 32.618 32.500 -0.049 0.000 0.855 391 K HN 0.153 nan 8.250 nan 0.000 0.531 392 N N 1.855 120.540 118.700 -0.024 0.000 2.746 392 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 392 N C -0.750 174.797 175.510 0.062 0.000 1.055 392 N CA 0.223 53.306 53.050 0.055 0.000 0.699 392 N CB -1.064 37.472 38.487 0.081 0.000 0.919 392 N HN 0.344 nan 8.380 nan 0.000 0.548 393 I N -2.561 117.967 120.570 -0.071 0.000 2.957 393 I HA 0.461 4.631 4.170 -0.000 0.000 0.310 393 I C 0.710 176.631 176.117 -0.328 0.000 1.063 393 I CA -1.099 60.038 61.300 -0.271 0.000 1.033 393 I CB 1.504 39.231 38.000 -0.456 0.000 1.230 393 I HN 0.011 nan 8.210 nan 0.000 0.447 394 H N 3.601 122.257 119.070 -0.689 0.000 2.871 394 H HA 0.109 4.665 4.556 -0.000 0.000 0.355 394 H C 0.672 175.854 175.328 -0.244 0.000 1.092 394 H CA 0.371 56.118 56.048 -0.503 0.000 1.420 394 H CB 1.302 30.755 29.762 -0.516 0.000 1.400 394 H HN 0.678 nan 8.280 nan 0.000 0.604 395 M N 3.921 123.498 119.600 -0.039 0.000 2.202 395 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 395 M C 2.274 178.627 176.300 0.088 0.000 1.063 395 M CA 1.305 56.597 55.300 -0.013 0.000 1.097 395 M CB -0.724 31.842 32.600 -0.057 0.000 1.382 395 M HN 0.659 nan 8.290 nan 0.000 0.413 396 R N 0.376 121.116 120.500 0.401 0.000 2.075 396 R HA -0.155 4.184 4.340 -0.000 0.000 0.232 396 R C 1.529 177.919 176.300 0.150 0.000 1.126 396 R CA 1.572 57.774 56.100 0.169 0.000 0.963 396 R CB -0.008 30.320 30.300 0.047 0.000 0.858 396 R HN 0.285 nan 8.270 nan 0.000 0.435 397 D N 0.170 120.579 120.400 0.015 0.000 2.144 397 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 397 D C 1.675 177.903 176.300 -0.120 0.000 0.978 397 D CA 1.362 55.296 54.000 -0.109 0.000 0.833 397 D CB -0.107 40.414 40.800 -0.467 0.000 0.961 397 D HN 0.377 nan 8.370 nan 0.000 0.470 398 A N 1.102 123.833 122.820 -0.149 0.000 1.930 398 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 398 A C 2.313 179.835 177.584 -0.103 0.000 1.175 398 A CA 1.877 53.822 52.037 -0.153 0.000 0.627 398 A CB -0.513 18.376 19.000 -0.184 0.000 0.815 398 A HN 0.223 nan 8.150 nan 0.000 0.443 399 A N -1.356 121.399 122.820 -0.109 0.000 1.902 399 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 399 A C 2.070 179.645 177.584 -0.015 0.000 1.181 399 A CA 1.538 53.470 52.037 -0.175 0.000 0.623 399 A CB -0.782 17.910 19.000 -0.513 0.000 0.818 399 A HN 0.570 nan 8.150 nan 0.000 0.443 400 Y N -0.379 119.965 120.300 0.074 0.000 2.200 400 Y HA -0.156 4.394 4.550 -0.001 0.000 0.290 400 Y C 2.625 178.443 175.900 -0.135 0.000 1.137 400 Y CA 1.459 59.508 58.100 -0.086 0.000 1.163 400 Y CB -0.451 37.891 38.460 -0.197 0.000 0.988 400 Y HN 0.098 nan 8.280 nan 0.000 0.518 401 V N -1.073 118.873 119.914 0.053 0.000 2.255 401 V HA -0.304 3.815 4.120 -0.000 0.000 0.247 401 V C 2.231 178.328 176.094 0.004 0.000 1.051 401 V CA 1.785 64.093 62.300 0.013 0.000 1.018 401 V CB -0.893 30.928 31.823 -0.004 0.000 0.641 401 V HN 0.223 nan 8.190 nan 0.000 0.445 402 V N 0.043 119.950 119.914 -0.012 0.000 2.287 402 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 402 V C 2.659 178.767 176.094 0.023 0.000 1.053 402 V CA 2.155 64.451 62.300 -0.007 0.000 1.027 402 V CB -1.071 30.730 31.823 -0.038 0.000 0.646 402 V HN 0.578 nan 8.190 nan 0.000 0.447 403 A N -0.356 122.482 122.820 0.030 0.000 1.858 403 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 403 A C 2.359 180.008 177.584 0.109 0.000 1.190 403 A CA 2.116 54.206 52.037 0.088 0.000 0.617 403 A CB -0.730 18.345 19.000 0.125 0.000 0.827 403 A HN 0.334 nan 8.150 nan 0.000 0.443 404 V N -0.236 119.675 119.914 -0.004 0.000 2.427 404 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 404 V C 2.638 178.802 176.094 0.116 0.000 1.051 404 V CA 2.189 64.485 62.300 -0.007 0.000 1.048 404 V CB -0.828 30.879 31.823 -0.192 0.000 0.666 404 V HN 0.651 nan 8.190 nan 0.000 0.456 405 Q N -0.395 119.465 119.800 0.101 0.000 2.079 405 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 405 Q C 2.543 178.630 176.000 0.144 0.000 0.974 405 Q CA 1.542 57.445 55.803 0.168 0.000 0.840 405 Q CB -0.047 28.749 28.738 0.097 0.000 0.898 405 Q HN 0.561 nan 8.270 nan 0.000 0.430 406 R N -0.711 119.847 120.500 0.098 0.000 2.081 406 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 406 R C 2.256 178.601 176.300 0.075 0.000 1.131 406 R CA 1.390 57.529 56.100 0.064 0.000 0.960 406 R CB -0.217 30.116 30.300 0.055 0.000 0.856 406 R HN 0.131 nan 8.270 nan 0.000 0.436 407 V N 0.175 120.179 119.914 0.150 0.000 2.307 407 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 407 V C 1.997 178.174 176.094 0.138 0.000 1.045 407 V CA 1.623 64.015 62.300 0.154 0.000 1.024 407 V CB -0.704 31.297 31.823 0.296 0.000 0.651 407 V HN 0.292 nan 8.190 nan 0.000 0.449 408 Y N 1.625 121.937 120.300 0.020 0.000 2.128 408 Y HA -0.319 4.231 4.550 -0.001 0.000 0.284 408 Y C 2.641 178.501 175.900 -0.066 0.000 1.154 408 Y CA 2.286 60.374 58.100 -0.020 0.000 1.149 408 Y CB -0.807 37.654 38.460 0.001 0.000 0.976 408 Y HN 0.334 nan 8.280 nan 0.000 0.505 409 Q N 0.380 120.095 119.800 -0.142 0.000 2.170 409 Q HA -0.093 4.246 4.340 -0.000 0.000 0.203 409 Q C 2.261 178.118 176.000 -0.239 0.000 0.976 409 Q CA 1.924 57.548 55.803 -0.298 0.000 0.858 409 Q CB -0.657 27.978 28.738 -0.171 0.000 0.907 409 Q HN 0.496 nan 8.270 nan 0.000 0.433 410 A N -0.144 122.566 122.820 -0.183 0.000 1.930 410 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 410 A C 2.052 179.403 177.584 -0.389 0.000 1.175 410 A CA 1.527 53.417 52.037 -0.244 0.000 0.627 410 A CB -0.476 18.400 19.000 -0.206 0.000 0.815 410 A HN 0.506 nan 8.150 nan 0.000 0.443 411 M N -0.883 118.501 119.600 -0.360 0.000 2.175 411 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 411 M C 2.070 178.181 176.300 -0.314 0.000 1.063 411 M CA 1.143 56.178 55.300 -0.441 0.000 1.119 411 M CB -0.373 32.081 32.600 -0.243 0.000 1.377 411 M HN 0.373 nan 8.290 nan 0.000 0.415 412 L N -0.005 121.056 121.223 -0.270 0.000 2.027 412 L HA -0.231 4.109 4.340 -0.000 0.000 0.206 412 L C 2.020 178.764 176.870 -0.211 0.000 1.074 412 L CA 1.082 55.781 54.840 -0.235 0.000 0.745 412 L CB -0.597 41.260 42.059 -0.337 0.000 0.898 412 L HN 0.268 nan 8.230 nan 0.000 0.433 413 D N -0.058 120.202 120.400 -0.234 0.000 2.149 413 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 413 D C 2.239 178.424 176.300 -0.191 0.000 0.990 413 D CA 1.169 55.056 54.000 -0.190 0.000 0.839 413 D CB -0.127 40.566 40.800 -0.178 0.000 0.948 413 D HN 0.284 nan 8.370 nan 0.000 0.460 414 R N -0.492 119.826 120.500 -0.303 0.000 2.235 414 R HA 0.092 4.432 4.340 -0.000 0.000 0.213 414 R C 1.467 177.711 176.300 -0.093 0.000 1.059 414 R CA 0.723 56.642 56.100 -0.302 0.000 0.997 414 R CB 0.172 30.001 30.300 -0.786 0.000 0.884 414 R HN 0.213 nan 8.270 nan 0.000 0.462 415 G N -0.672 108.083 108.800 -0.074 0.000 2.157 415 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.239 415 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.239 415 G C 0.359 175.365 174.900 0.177 0.000 0.982 415 G CA 0.088 45.210 45.100 0.036 0.000 0.650 415 G HN 0.255 nan 8.290 nan 0.000 0.527 416 W N 0.278 121.509 121.300 -0.115 0.000 2.363 416 W HA 0.308 4.968 4.660 -0.000 0.000 0.296 416 W C 1.569 178.018 176.519 -0.117 0.000 1.212 416 W CA 1.237 58.498 57.345 -0.140 0.000 1.260 416 W CB -0.859 28.398 29.460 -0.338 0.000 1.131 416 W HN 0.733 nan 8.180 nan 0.000 0.530 417 V N -1.758 118.209 119.914 0.088 0.000 2.914 417 V HA 0.529 4.649 4.120 -0.000 0.000 0.314 417 V C 0.526 176.597 176.094 -0.038 0.000 1.084 417 V CA -1.259 61.074 62.300 0.055 0.000 0.963 417 V CB 2.152 34.029 31.823 0.090 0.000 1.025 417 V HN -0.317 nan 8.190 nan 0.000 0.432 418 K N 0.289 120.596 120.400 -0.156 0.000 2.361 418 K HA 0.341 4.661 4.320 -0.000 0.000 0.194 418 K C 0.096 176.289 176.600 -0.679 0.000 1.032 418 K CA 0.663 56.687 56.287 -0.438 0.000 1.048 418 K CB -0.200 31.954 32.500 -0.575 0.000 0.842 418 K HN 0.987 nan 8.250 nan 0.000 0.526 419 H N 0.000 119.118 119.070 0.080 0.000 2.539 419 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 419 H CA 0.000 56.104 56.048 0.094 0.000 1.023 419 H CB 0.000 29.811 29.762 0.082 0.000 1.292 419 H HN 0.000 nan 8.280 nan 0.000 0.496