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 2zyi_1_B DATA FIRST_RESID 20 DATA SEQUENCE EDFRPVVFVH GLAGSAGQFE SQGMRFAANG YPAEYVKTFE YDTISWALVV DATA SEQUENCE ETDMLFSGLG SEFGLNISQI IDPETLDKIL SKSRERLIDE TFSRLDRVID DATA SEQUENCE EALAESGADK VDLVGHSMGT FFLVRYVNSS PERAAKVAHL ILLDGVWGVD DATA SEQUENCE APEGIPTLAV FGNPKALXXX XXXEEKVVYN ATNVYFNNMT HVQLCTSPET DATA SEQUENCE FAVMFEFING YKPATTDIVP QDGDYVKVKG KFLAFATNGD VSGWLSIYPI DATA SEQUENCE DENGKRLTRL PVKFMRVKGD FEVRLRKGQL YEFQFRKDFS PIIYHYYRAP DATA SEQUENCE FVRDDLWARF LVSKPPLDVE LLILPERLSP AAKETSGLLL IRYKEMIGEY DATA SEQUENCE DEEIGGVDEV YVNGVNVCTE RICPIERAVN GLWVFDRGAD GKSDLDREVV DATA SEQUENCE RYSIMPFMSA ADLVVPAEGT ISIAVKSRTG GEESFTIPAW SADRHSIIVQ DATA SEQUENCE FSDYIV 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 20 E HA 0.000 nan 4.350 nan 0.000 0.291 20 E C 0.000 176.504 176.600 -0.160 0.000 1.382 20 E CA 0.000 56.391 56.400 -0.015 0.000 0.976 20 E CB 0.000 29.715 29.700 0.026 0.000 0.812 21 D N 0.386 120.531 120.400 -0.424 0.000 2.355 21 D HA 0.129 4.769 4.640 -0.000 0.000 0.218 21 D C -0.293 175.504 176.300 -0.839 0.000 1.004 21 D CA 0.703 54.302 54.000 -0.668 0.000 0.880 21 D CB 0.141 40.354 40.800 -0.978 0.000 0.911 21 D HN 0.194 nan 8.370 nan 0.000 0.528 22 F N 0.068 119.970 119.950 -0.079 0.000 2.620 22 F HA 0.444 4.970 4.527 -0.000 0.000 0.320 22 F C 0.591 176.377 175.800 -0.024 0.000 1.069 22 F CA -1.423 56.459 58.000 -0.197 0.000 0.953 22 F CB 1.338 39.913 39.000 -0.708 0.000 1.322 22 F HN -0.369 nan 8.300 nan 0.000 0.479 23 R N 0.124 120.719 120.500 0.158 0.000 2.832 23 R HA 0.779 5.119 4.340 -0.000 0.000 0.271 23 R C -3.202 173.127 176.300 0.049 0.000 0.996 23 R CA -2.105 54.013 56.100 0.030 0.000 0.977 23 R CB 1.200 31.511 30.300 0.017 0.000 1.168 23 R HN 0.210 nan 8.270 nan 0.000 0.482 24 P HA 0.024 nan 4.420 nan 0.000 0.269 24 P C -0.911 176.395 177.300 0.011 0.000 1.215 24 P CA -0.395 62.673 63.100 -0.053 0.000 0.780 24 P CB 0.658 32.262 31.700 -0.159 0.000 0.898 25 V N 3.196 123.115 119.914 0.009 0.000 2.448 25 V HA 0.336 4.456 4.120 -0.000 0.000 0.295 25 V C -0.107 175.965 176.094 -0.038 0.000 1.025 25 V CA -0.604 61.658 62.300 -0.063 0.000 0.859 25 V CB 2.118 33.789 31.823 -0.253 0.000 0.988 25 V HN 0.201 nan 8.190 nan 0.000 0.431 26 V N 5.410 125.283 119.914 -0.069 0.000 2.378 26 V HA 0.445 4.565 4.120 -0.000 0.000 0.288 26 V C -0.639 175.365 176.094 -0.149 0.000 1.016 26 V CA -0.515 61.739 62.300 -0.078 0.000 0.840 26 V CB 1.511 33.267 31.823 -0.112 0.000 0.994 26 V HN 0.723 nan 8.190 nan 0.000 0.431 27 F N 6.111 125.827 119.950 -0.391 0.000 2.408 27 F HA 0.737 5.264 4.527 -0.000 0.000 0.344 27 F C -0.342 175.257 175.800 -0.334 0.000 1.112 27 F CA -0.558 57.092 58.000 -0.584 0.000 1.096 27 F CB 1.540 39.833 39.000 -1.178 0.000 1.129 27 F HN 0.252 nan 8.300 nan 0.000 0.486 28 V N 6.694 125.951 119.914 -1.096 0.000 2.350 28 V HA 0.222 4.342 4.120 -0.000 0.000 0.285 28 V C -0.320 175.002 176.094 -1.287 0.000 1.014 28 V CA -0.764 60.947 62.300 -0.981 0.000 0.831 28 V CB 0.644 32.015 31.823 -0.754 0.000 1.000 28 V HN 0.920 nan 8.190 nan 0.000 0.433 29 H N 2.782 121.293 119.070 -0.932 0.000 2.639 29 H HA 0.717 5.273 4.556 -0.000 0.000 0.373 29 H C 0.608 175.809 175.328 -0.211 0.000 1.372 29 H CA 0.242 55.968 56.048 -0.536 0.000 1.448 29 H CB 0.560 30.209 29.762 -0.189 0.000 1.544 29 H HN 0.630 nan 8.280 nan 0.000 0.615 30 G N -0.062 108.838 108.800 0.167 0.000 2.606 30 G HA2 0.303 4.263 3.960 -0.000 0.000 0.262 30 G HA3 0.303 4.263 3.960 -0.000 0.000 0.262 30 G C -0.526 174.452 174.900 0.130 0.000 1.394 30 G CA -0.906 44.276 45.100 0.136 0.000 1.044 30 G HN 0.737 nan 8.290 nan 0.000 0.553 31 L N 0.416 121.702 121.223 0.104 0.000 2.499 31 L HA 0.344 4.683 4.340 -0.000 0.000 0.273 31 L C 1.393 178.250 176.870 -0.023 0.000 1.195 31 L CA 1.472 56.313 54.840 0.002 0.000 0.882 31 L CB 0.106 42.178 42.059 0.021 0.000 1.133 31 L HN 1.642 nan 8.230 nan 0.000 0.483 32 A N 3.184 125.870 122.820 -0.223 0.000 2.945 32 A HA -0.168 4.152 4.320 -0.000 0.000 0.263 32 A C 0.853 178.289 177.584 -0.247 0.000 1.293 32 A CA 1.128 52.977 52.037 -0.313 0.000 0.944 32 A CB -2.353 16.644 19.000 -0.004 0.000 1.093 32 A HN 1.230 nan 8.150 nan 0.000 0.786 33 G N -1.785 106.821 108.800 -0.322 0.000 2.557 33 G HA2 0.891 4.851 3.960 -0.000 0.000 0.302 33 G HA3 0.891 4.851 3.960 -0.000 0.000 0.302 33 G C 0.063 174.408 174.900 -0.925 0.000 1.311 33 G CA 0.646 45.492 45.100 -0.423 0.000 1.030 33 G HN 2.091 nan 8.290 nan 0.000 0.509 34 S N -3.155 112.102 115.700 -0.738 0.000 2.724 34 S HA 0.557 5.027 4.470 -0.000 0.000 0.278 34 S C 1.066 175.600 174.600 -0.109 0.000 1.190 34 S CA 0.470 58.310 58.200 -0.600 0.000 0.860 34 S CB 0.861 63.866 63.200 -0.324 0.000 1.206 34 S HN 1.614 nan 8.310 nan 0.000 0.507 35 A N 0.483 123.325 122.820 0.036 0.000 2.125 35 A HA 0.249 4.568 4.320 -0.000 0.000 0.219 35 A C 2.082 179.697 177.584 0.052 0.000 1.156 35 A CA 1.854 54.001 52.037 0.182 0.000 0.671 35 A CB -1.747 17.379 19.000 0.211 0.000 0.794 35 A HN 1.478 nan 8.150 nan 0.000 0.459 36 G N -0.601 108.146 108.800 -0.087 0.000 2.469 36 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 36 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 36 G C 1.363 176.061 174.900 -0.336 0.000 1.136 36 G CA 1.172 46.176 45.100 -0.159 0.000 0.759 36 G HN 0.564 nan 8.290 nan 0.000 0.562 37 Q N -1.209 118.315 119.800 -0.460 0.000 2.541 37 Q HA 0.148 4.488 4.340 -0.000 0.000 0.215 37 Q C 1.117 176.870 176.000 -0.412 0.000 0.977 37 Q CA 0.401 55.936 55.803 -0.447 0.000 0.934 37 Q CB -0.135 28.422 28.738 -0.302 0.000 0.988 37 Q HN 0.542 nan 8.270 nan 0.000 0.521 38 F N -1.003 118.550 119.950 -0.661 0.000 2.729 38 F HA 0.241 4.768 4.527 -0.000 0.000 0.315 38 F C 1.537 176.974 175.800 -0.605 0.000 1.102 38 F CA -0.429 57.074 58.000 -0.828 0.000 1.204 38 F CB 0.542 38.794 39.000 -1.246 0.000 1.052 38 F HN 0.045 nan 8.300 nan 0.000 0.551 39 E N -0.198 119.817 120.200 -0.308 0.000 2.058 39 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 39 E C 1.811 178.207 176.600 -0.341 0.000 0.997 39 E CA 1.901 58.191 56.400 -0.182 0.000 0.801 39 E CB 0.039 29.775 29.700 0.061 0.000 0.746 39 E HN 0.291 nan 8.360 nan 0.000 0.450 40 S N 0.583 116.075 115.700 -0.346 0.000 2.368 40 S HA -0.128 4.341 4.470 -0.000 0.000 0.224 40 S C 1.879 176.098 174.600 -0.635 0.000 1.029 40 S CA 0.927 58.901 58.200 -0.377 0.000 0.988 40 S CB -0.164 62.866 63.200 -0.284 0.000 0.838 40 S HN 0.295 nan 8.310 nan 0.000 0.462 41 Q N 0.912 120.199 119.800 -0.855 0.000 2.135 41 Q HA -0.055 4.284 4.340 -0.000 0.000 0.204 41 Q C 2.402 177.787 176.000 -1.025 0.000 0.981 41 Q CA 1.598 56.749 55.803 -1.086 0.000 0.856 41 Q CB -1.201 26.591 28.738 -1.576 0.000 0.902 41 Q HN 0.607 nan 8.270 nan 0.000 0.425 42 G N 0.661 108.774 108.800 -1.145 0.000 2.418 42 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 42 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 42 G C 1.503 175.959 174.900 -0.740 0.000 1.158 42 G CA 0.806 45.173 45.100 -1.223 0.000 0.771 42 G HN 0.253 nan 8.290 nan 0.000 0.545 43 M N -0.290 118.994 119.600 -0.528 0.000 2.296 43 M HA 0.040 4.519 4.480 -0.000 0.000 0.265 43 M C 2.730 178.811 176.300 -0.363 0.000 1.064 43 M CA 0.869 56.051 55.300 -0.197 0.000 1.109 43 M CB -0.169 32.385 32.600 -0.075 0.000 1.396 43 M HN 0.148 nan 8.290 nan 0.000 0.430 44 R N -0.355 119.724 120.500 -0.702 0.000 2.075 44 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 44 R C 2.007 177.726 176.300 -0.968 0.000 1.126 44 R CA 1.358 56.793 56.100 -1.109 0.000 0.963 44 R CB -0.346 28.720 30.300 -2.056 0.000 0.858 44 R HN 0.270 nan 8.270 nan 0.000 0.435 45 F N 0.665 120.222 119.950 -0.656 0.000 2.161 45 F HA -0.212 4.315 4.527 -0.000 0.000 0.300 45 F C 2.576 178.240 175.800 -0.226 0.000 1.089 45 F CA 1.266 59.007 58.000 -0.431 0.000 1.282 45 F CB -0.229 38.331 39.000 -0.733 0.000 1.010 45 F HN 0.107 nan 8.300 nan 0.000 0.485 46 A N -0.270 122.561 122.820 0.019 0.000 1.929 46 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 46 A C 2.257 179.873 177.584 0.054 0.000 1.176 46 A CA 1.318 53.419 52.037 0.107 0.000 0.628 46 A CB -1.114 17.980 19.000 0.158 0.000 0.816 46 A HN 0.283 nan 8.150 nan 0.000 0.444 47 A N -0.299 122.489 122.820 -0.053 0.000 2.172 47 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 47 A C 1.148 178.729 177.584 -0.005 0.000 1.154 47 A CA 1.330 53.336 52.037 -0.053 0.000 0.701 47 A CB -0.499 18.413 19.000 -0.146 0.000 0.789 47 A HN 0.586 nan 8.150 nan 0.000 0.465 48 N N -1.343 117.382 118.700 0.042 0.000 2.389 48 N HA 0.401 5.141 4.740 -0.000 0.000 0.260 48 N C 0.761 176.459 175.510 0.314 0.000 1.191 48 N CA 0.751 53.886 53.050 0.141 0.000 0.885 48 N CB 0.965 39.488 38.487 0.059 0.000 1.162 48 N HN 0.419 nan 8.380 nan 0.000 0.512 49 G N -0.521 108.437 108.800 0.263 0.000 2.259 49 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 49 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 49 G C -0.352 174.711 174.900 0.272 0.000 1.001 49 G CA -0.558 44.758 45.100 0.359 0.000 0.627 49 G HN 0.254 nan 8.290 nan 0.000 0.501 50 Y N 2.201 122.390 120.300 -0.185 0.000 2.425 50 Y HA 0.467 5.016 4.550 -0.000 0.000 0.331 50 Y C -1.824 174.026 175.900 -0.084 0.000 1.157 50 Y CA -1.686 56.283 58.100 -0.219 0.000 1.372 50 Y CB 0.616 38.977 38.460 -0.164 0.000 1.253 50 Y HN -0.001 nan 8.280 nan 0.000 0.536 51 P HA 0.127 nan 4.420 nan 0.000 0.276 51 P C 0.015 177.347 177.300 0.054 0.000 1.243 51 P CA 0.115 63.133 63.100 -0.138 0.000 0.768 51 P CB 1.254 32.650 31.700 -0.507 0.000 0.856 52 A N 4.441 127.354 122.820 0.155 0.000 1.971 52 A HA -0.268 4.051 4.320 -0.000 0.000 0.222 52 A C 1.877 179.670 177.584 0.349 0.000 1.182 52 A CA 1.636 53.860 52.037 0.311 0.000 0.649 52 A CB -0.937 18.176 19.000 0.188 0.000 0.818 52 A HN 0.497 nan 8.150 nan 0.000 0.458 53 E N -1.083 119.246 120.200 0.215 0.000 2.333 53 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 53 E C 1.398 178.260 176.600 0.436 0.000 1.007 53 E CA 0.758 57.312 56.400 0.256 0.000 0.845 53 E CB -0.316 29.502 29.700 0.196 0.000 0.766 53 E HN 0.806 nan 8.360 nan 0.000 0.507 54 Y N 0.010 120.441 120.300 0.217 0.000 2.509 54 Y HA -0.034 4.516 4.550 -0.000 0.000 0.293 54 Y C 1.014 177.025 175.900 0.184 0.000 1.133 54 Y CA -0.186 58.031 58.100 0.195 0.000 1.283 54 Y CB -0.002 38.595 38.460 0.228 0.000 1.001 54 Y HN -0.273 nan 8.280 nan 0.000 0.555 55 V N 3.199 123.357 119.914 0.407 0.000 2.368 55 V HA 0.179 4.299 4.120 -0.000 0.000 0.266 55 V C 0.068 176.416 176.094 0.423 0.000 1.045 55 V CA -0.736 61.739 62.300 0.292 0.000 0.899 55 V CB 0.555 32.488 31.823 0.182 0.000 1.006 55 V HN -0.058 nan 8.190 nan 0.000 0.470 56 K N 3.057 123.614 120.400 0.263 0.000 2.208 56 K HA 0.726 5.046 4.320 -0.000 0.000 0.247 56 K C -0.042 176.689 176.600 0.218 0.000 0.953 56 K CA -0.510 55.930 56.287 0.255 0.000 0.837 56 K CB 2.357 34.945 32.500 0.147 0.000 1.131 56 K HN 0.744 nan 8.250 nan 0.000 0.431 57 T N -1.737 112.969 114.554 0.252 0.000 2.876 57 T HA 0.571 4.921 4.350 -0.000 0.000 0.289 57 T C -0.797 174.020 174.700 0.196 0.000 1.014 57 T CA -0.760 61.483 62.100 0.237 0.000 0.986 57 T CB 0.822 69.889 68.868 0.331 0.000 1.021 57 T HN 0.368 nan 8.240 nan 0.000 0.458 58 F N 1.736 121.644 119.950 -0.071 0.000 2.411 58 F HA 0.597 5.124 4.527 -0.000 0.000 0.352 58 F C -0.079 175.671 175.800 -0.082 0.000 1.123 58 F CA -0.782 57.141 58.000 -0.128 0.000 1.044 58 F CB 1.153 39.977 39.000 -0.293 0.000 1.135 58 F HN 0.724 nan 8.300 nan 0.000 0.461 59 E N 5.655 125.578 120.200 -0.463 0.000 2.207 59 E HA 0.459 4.809 4.350 -0.000 0.000 0.270 59 E C -1.612 174.746 176.600 -0.403 0.000 0.927 59 E CA -0.810 55.465 56.400 -0.208 0.000 0.799 59 E CB 2.343 32.009 29.700 -0.056 0.000 1.172 59 E HN 0.651 nan 8.360 nan 0.000 0.404 60 Y N -1.607 118.499 120.300 -0.324 0.000 2.656 60 Y HA 0.354 4.904 4.550 -0.000 0.000 0.334 60 Y C -1.105 174.750 175.900 -0.076 0.000 1.179 60 Y CA -1.593 56.326 58.100 -0.301 0.000 1.050 60 Y CB 0.852 39.075 38.460 -0.395 0.000 1.308 60 Y HN 0.275 nan 8.280 nan 0.000 0.456 61 D N 1.599 122.021 120.400 0.037 0.000 2.338 61 D HA 0.107 4.747 4.640 -0.000 0.000 0.255 61 D C 1.068 177.388 176.300 0.033 0.000 1.237 61 D CA 0.694 54.693 54.000 -0.002 0.000 0.883 61 D CB 1.605 42.451 40.800 0.077 0.000 1.087 61 D HN 0.796 nan 8.370 nan 0.000 0.485 62 T N 1.639 116.101 114.554 -0.153 0.000 3.014 62 T HA -0.066 4.283 4.350 -0.000 0.000 0.263 62 T C 2.005 176.715 174.700 0.018 0.000 1.078 62 T CA 0.039 62.086 62.100 -0.088 0.000 1.135 62 T CB 0.035 68.745 68.868 -0.263 0.000 0.895 62 T HN 0.311 nan 8.240 nan 0.000 0.480 63 I N 2.383 122.920 120.570 -0.055 0.000 2.142 63 I HA -0.088 4.082 4.170 -0.000 0.000 0.240 63 I C 2.827 179.044 176.117 0.166 0.000 1.078 63 I CA 0.875 62.186 61.300 0.019 0.000 1.343 63 I CB -1.670 36.352 38.000 0.036 0.000 1.046 63 I HN 0.263 nan 8.210 nan 0.000 0.405 64 S N -0.169 115.630 115.700 0.165 0.000 2.368 64 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 64 S C 1.781 176.505 174.600 0.206 0.000 1.030 64 S CA 1.015 59.321 58.200 0.177 0.000 0.999 64 S CB -0.360 62.948 63.200 0.180 0.000 0.844 64 S HN 0.534 nan 8.310 nan 0.000 0.459 65 W N 2.181 123.576 121.300 0.159 0.000 2.355 65 W HA -0.175 4.484 4.660 -0.000 0.000 0.309 65 W C 2.457 179.072 176.519 0.160 0.000 1.206 65 W CA 1.447 58.918 57.345 0.210 0.000 1.284 65 W CB -0.608 29.099 29.460 0.413 0.000 1.145 65 W HN 0.351 nan 8.180 nan 0.000 0.502 66 A N 0.682 123.656 122.820 0.257 0.000 1.877 66 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 66 A C 2.156 179.778 177.584 0.064 0.000 1.186 66 A CA 1.843 53.972 52.037 0.153 0.000 0.620 66 A CB -1.181 17.959 19.000 0.234 0.000 0.822 66 A HN 0.335 nan 8.150 nan 0.000 0.443 67 L N -0.869 120.429 121.223 0.126 0.000 2.240 67 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 67 L C 2.091 178.979 176.870 0.031 0.000 1.106 67 L CA 0.522 55.426 54.840 0.106 0.000 0.793 67 L CB -0.122 42.028 42.059 0.150 0.000 0.927 67 L HN 0.253 nan 8.230 nan 0.000 0.446 68 V N -1.932 117.952 119.914 -0.051 0.000 2.922 68 V HA -0.002 4.118 4.120 -0.000 0.000 0.242 68 V C 1.848 177.797 176.094 -0.241 0.000 1.094 68 V CA 0.570 62.800 62.300 -0.116 0.000 1.106 68 V CB 1.137 32.890 31.823 -0.116 0.000 0.799 68 V HN 0.103 nan 8.190 nan 0.000 0.474 69 V N -1.110 118.545 119.914 -0.432 0.000 2.743 69 V HA 0.172 4.291 4.120 -0.000 0.000 0.237 69 V C 1.371 177.243 176.094 -0.370 0.000 1.113 69 V CA 0.608 62.549 62.300 -0.599 0.000 1.141 69 V CB -0.134 30.828 31.823 -1.436 0.000 0.873 69 V HN 0.392 nan 8.190 nan 0.000 0.486 70 E N 1.508 121.519 120.200 -0.315 0.000 2.304 70 E HA 0.074 4.424 4.350 -0.000 0.000 0.212 70 E C 1.722 178.240 176.600 -0.136 0.000 1.185 70 E CA 0.570 56.874 56.400 -0.159 0.000 1.326 70 E CB -0.152 29.495 29.700 -0.088 0.000 1.283 70 E HN 0.775 nan 8.360 nan 0.000 0.440 71 T N -1.557 112.954 114.554 -0.072 0.000 2.759 71 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 71 T C 1.285 176.012 174.700 0.045 0.000 1.042 71 T CA 1.177 63.301 62.100 0.039 0.000 1.140 71 T CB 0.028 68.993 68.868 0.162 0.000 0.864 71 T HN -0.022 nan 8.240 nan 0.000 0.455 72 D N 1.028 121.430 120.400 0.004 0.000 2.092 72 D HA -0.101 4.539 4.640 -0.000 0.000 0.193 72 D C 2.027 178.299 176.300 -0.048 0.000 0.994 72 D CA 1.360 55.367 54.000 0.012 0.000 0.828 72 D CB -0.494 40.316 40.800 0.018 0.000 0.963 72 D HN 0.404 nan 8.370 nan 0.000 0.450 73 M N -0.012 119.483 119.600 -0.176 0.000 2.067 73 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 73 M C 2.101 178.244 176.300 -0.261 0.000 1.069 73 M CA 1.251 56.346 55.300 -0.342 0.000 1.117 73 M CB -0.168 31.860 32.600 -0.954 0.000 1.334 73 M HN 0.044 nan 8.290 nan 0.000 0.407 74 L N 0.449 121.484 121.223 -0.313 0.000 2.017 74 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 74 L C 1.468 178.032 176.870 -0.510 0.000 1.073 74 L CA 1.999 56.567 54.840 -0.453 0.000 0.745 74 L CB -0.762 40.891 42.059 -0.677 0.000 0.894 74 L HN 0.340 nan 8.230 nan 0.000 0.432 75 F N -1.384 118.544 119.950 -0.037 0.000 2.664 75 F HA 0.104 4.631 4.527 -0.000 0.000 0.301 75 F C 1.555 177.348 175.800 -0.012 0.000 1.126 75 F CA 0.306 58.290 58.000 -0.028 0.000 1.373 75 F CB -0.281 38.697 39.000 -0.036 0.000 1.042 75 F HN 0.209 nan 8.300 nan 0.000 0.535 76 S N -1.592 114.159 115.700 0.084 0.000 2.730 76 S HA 0.396 4.865 4.470 -0.000 0.000 0.244 76 S C 1.279 175.926 174.600 0.077 0.000 1.022 76 S CA 0.098 58.347 58.200 0.082 0.000 1.014 76 S CB 0.448 63.685 63.200 0.061 0.000 0.963 76 S HN 0.416 nan 8.310 nan 0.000 0.540 77 G N 1.630 110.462 108.800 0.054 0.000 2.198 77 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.260 77 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.260 77 G C 0.438 175.405 174.900 0.113 0.000 1.025 77 G CA 0.585 45.726 45.100 0.068 0.000 0.769 77 G HN 0.558 nan 8.290 nan 0.000 0.507 78 L N -0.692 120.591 121.223 0.099 0.000 2.509 78 L HA 0.340 4.680 4.340 -0.000 0.000 0.222 78 L C 2.073 179.067 176.870 0.206 0.000 1.123 78 L CA 0.932 55.896 54.840 0.207 0.000 0.856 78 L CB -0.114 42.056 42.059 0.185 0.000 0.985 78 L HN 0.423 nan 8.230 nan 0.000 0.456 79 G N -0.703 108.138 108.800 0.068 0.000 3.407 79 G HA2 0.277 4.237 3.960 -0.000 0.000 0.187 79 G HA3 0.277 4.237 3.960 -0.000 0.000 0.187 79 G C -0.183 174.745 174.900 0.048 0.000 1.262 79 G CA 0.361 45.502 45.100 0.069 0.000 0.808 79 G HN 0.171 nan 8.290 nan 0.000 0.687 80 S N -0.700 115.030 115.700 0.050 0.000 2.681 80 S HA 0.346 4.816 4.470 -0.000 0.000 0.270 80 S C 0.053 174.668 174.600 0.024 0.000 1.209 80 S CA -0.282 57.935 58.200 0.029 0.000 0.988 80 S CB 1.494 64.733 63.200 0.064 0.000 1.006 80 S HN 0.499 nan 8.310 nan 0.000 0.558 81 E N 0.214 120.417 120.200 0.004 0.000 2.304 81 E HA 0.159 4.509 4.350 -0.000 0.000 0.212 81 E C -0.038 176.589 176.600 0.046 0.000 1.185 81 E CA -0.197 56.208 56.400 0.008 0.000 1.326 81 E CB -0.279 29.419 29.700 -0.003 0.000 1.283 81 E HN 0.685 nan 8.360 nan 0.000 0.440 82 F N 0.827 120.731 119.950 -0.077 0.000 2.259 82 F HA 0.082 4.608 4.527 -0.000 0.000 0.298 82 F C 1.977 177.752 175.800 -0.041 0.000 1.088 82 F CA 1.320 59.291 58.000 -0.049 0.000 1.358 82 F CB -0.235 38.742 39.000 -0.038 0.000 1.040 82 F HN 0.101 nan 8.300 nan 0.000 0.505 83 G N 0.987 109.587 108.800 -0.334 0.000 2.443 83 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 83 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 83 G C 1.778 176.618 174.900 -0.101 0.000 1.131 83 G CA 0.909 45.791 45.100 -0.364 0.000 0.775 83 G HN 0.454 nan 8.290 nan 0.000 0.547 84 L N 0.480 121.664 121.223 -0.065 0.000 2.131 84 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 84 L C 1.501 178.351 176.870 -0.032 0.000 1.092 84 L CA 0.870 55.704 54.840 -0.010 0.000 0.759 84 L CB -0.126 41.936 42.059 0.005 0.000 0.903 84 L HN 0.224 nan 8.230 nan 0.000 0.435 85 N N -0.711 117.944 118.700 -0.074 0.000 2.235 85 N HA 0.192 4.932 4.740 -0.000 0.000 0.231 85 N C 1.461 176.914 175.510 -0.095 0.000 1.177 85 N CA 0.042 53.062 53.050 -0.049 0.000 0.874 85 N CB 0.846 39.337 38.487 0.008 0.000 1.097 85 N HN 0.267 nan 8.380 nan 0.000 0.518 86 I N 1.514 121.957 120.570 -0.211 0.000 2.113 86 I HA -0.374 3.796 4.170 -0.000 0.000 0.242 86 I C 2.415 178.484 176.117 -0.079 0.000 1.057 86 I CA 1.859 63.012 61.300 -0.245 0.000 1.314 86 I CB -0.327 37.536 38.000 -0.227 0.000 1.022 86 I HN 0.191 nan 8.210 nan 0.000 0.408 87 S N -0.220 115.451 115.700 -0.049 0.000 2.507 87 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 87 S C 1.657 176.254 174.600 -0.005 0.000 0.988 87 S CA 0.724 58.913 58.200 -0.020 0.000 0.944 87 S CB -0.242 62.945 63.200 -0.021 0.000 0.762 87 S HN 0.572 nan 8.310 nan 0.000 0.526 88 Q N -0.161 119.637 119.800 -0.003 0.000 2.392 88 Q HA 0.375 4.715 4.340 -0.000 0.000 0.219 88 Q C 1.829 177.845 176.000 0.026 0.000 0.895 88 Q CA 0.322 56.130 55.803 0.008 0.000 0.929 88 Q CB 0.026 28.767 28.738 0.005 0.000 1.077 88 Q HN 0.544 nan 8.270 nan 0.000 0.532 89 I N 0.476 121.074 120.570 0.047 0.000 2.400 89 I HA -0.006 4.164 4.170 -0.000 0.000 0.248 89 I C 0.768 176.944 176.117 0.099 0.000 1.109 89 I CA 0.724 62.082 61.300 0.096 0.000 1.425 89 I CB 0.504 38.612 38.000 0.179 0.000 1.094 89 I HN 0.058 nan 8.210 nan 0.000 0.425 90 I N 2.164 122.784 120.570 0.083 0.000 2.354 90 I HA 0.097 4.267 4.170 -0.000 0.000 0.292 90 I C -0.275 175.870 176.117 0.047 0.000 0.989 90 I CA -0.878 60.469 61.300 0.079 0.000 1.188 90 I CB 1.226 39.284 38.000 0.097 0.000 1.342 90 I HN 0.161 nan 8.210 nan 0.000 0.457 91 D N 6.875 127.300 120.400 0.043 0.000 2.423 91 D HA 0.043 4.683 4.640 -0.000 0.000 0.238 91 D C -2.160 174.155 176.300 0.025 0.000 1.142 91 D CA -1.208 52.809 54.000 0.028 0.000 0.884 91 D CB 1.326 42.141 40.800 0.026 0.000 1.199 91 D HN 0.191 nan 8.370 nan 0.000 0.438 92 P HA -0.195 nan 4.420 nan 0.000 0.215 92 P C 1.174 178.482 177.300 0.013 0.000 1.163 92 P CA 1.555 64.661 63.100 0.011 0.000 0.894 92 P CB 0.158 31.861 31.700 0.005 0.000 0.791 93 E N -1.400 118.808 120.200 0.013 0.000 2.106 93 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 93 E C 1.851 178.463 176.600 0.020 0.000 0.984 93 E CA 1.393 57.801 56.400 0.013 0.000 0.806 93 E CB -0.500 29.207 29.700 0.011 0.000 0.750 93 E HN 0.264 nan 8.360 nan 0.000 0.458 94 T N 1.380 115.949 114.554 0.026 0.000 2.821 94 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 94 T C 1.776 176.500 174.700 0.040 0.000 1.046 94 T CA 0.635 62.756 62.100 0.035 0.000 1.139 94 T CB -0.135 68.759 68.868 0.043 0.000 0.871 94 T HN 0.042 nan 8.240 nan 0.000 0.454 95 L N 1.586 122.832 121.223 0.038 0.000 2.093 95 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 95 L C 1.865 178.753 176.870 0.030 0.000 1.085 95 L CA 1.764 56.628 54.840 0.040 0.000 0.755 95 L CB -0.647 41.431 42.059 0.032 0.000 0.904 95 L HN 0.090 nan 8.230 nan 0.000 0.435 96 D N -0.246 120.166 120.400 0.020 0.000 2.097 96 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 96 D C 2.101 178.410 176.300 0.016 0.000 0.989 96 D CA 1.343 55.351 54.000 0.013 0.000 0.827 96 D CB 0.002 40.806 40.800 0.007 0.000 0.966 96 D HN 0.381 nan 8.370 nan 0.000 0.456 97 K N 0.532 120.944 120.400 0.020 0.000 2.032 97 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 97 K C 2.368 178.985 176.600 0.028 0.000 1.048 97 K CA 0.797 57.097 56.287 0.022 0.000 0.927 97 K CB -0.127 32.388 32.500 0.026 0.000 0.712 97 K HN 0.150 nan 8.250 nan 0.000 0.441 98 I N 1.223 121.816 120.570 0.038 0.000 2.118 98 I HA -0.317 3.852 4.170 -0.000 0.000 0.241 98 I C 2.104 178.242 176.117 0.035 0.000 1.070 98 I CA 1.479 62.807 61.300 0.047 0.000 1.327 98 I CB -0.388 37.652 38.000 0.066 0.000 1.034 98 I HN 0.171 nan 8.210 nan 0.000 0.405 99 L N 0.505 121.745 121.223 0.028 0.000 2.456 99 L HA -0.104 4.236 4.340 -0.000 0.000 0.224 99 L C 2.410 179.282 176.870 0.003 0.000 1.148 99 L CA 0.984 55.834 54.840 0.015 0.000 0.825 99 L CB -0.568 41.499 42.059 0.012 0.000 0.937 99 L HN 0.364 nan 8.230 nan 0.000 0.450 100 S N -1.677 114.027 115.700 0.006 0.000 2.548 100 S HA 0.042 4.512 4.470 -0.000 0.000 0.215 100 S C 0.806 175.406 174.600 -0.000 0.000 0.976 100 S CA -0.383 57.817 58.200 0.000 0.000 0.908 100 S CB -0.061 63.141 63.200 0.003 0.000 0.781 100 S HN 0.224 nan 8.310 nan 0.000 0.519 101 K N 2.390 122.793 120.400 0.004 0.000 2.414 101 K HA 0.187 4.507 4.320 -0.000 0.000 0.272 101 K C 0.180 176.772 176.600 -0.013 0.000 0.993 101 K CA 0.033 56.323 56.287 0.004 0.000 0.964 101 K CB 0.418 32.927 32.500 0.015 0.000 0.925 101 K HN 0.207 nan 8.250 nan 0.000 0.487 102 S N 2.048 117.740 115.700 -0.013 0.000 2.465 102 S HA 0.032 4.502 4.470 -0.000 0.000 0.280 102 S C 1.204 175.775 174.600 -0.049 0.000 1.232 102 S CA -0.316 57.868 58.200 -0.027 0.000 1.066 102 S CB 0.427 63.617 63.200 -0.018 0.000 0.929 102 S HN 0.662 nan 8.310 nan 0.000 0.494 103 R N 3.674 124.130 120.500 -0.073 0.000 2.080 103 R HA -0.152 4.187 4.340 -0.000 0.000 0.236 103 R C 2.124 178.342 176.300 -0.136 0.000 1.137 103 R CA 2.288 58.314 56.100 -0.124 0.000 0.943 103 R CB -0.447 29.777 30.300 -0.128 0.000 0.846 103 R HN 0.892 nan 8.270 nan 0.000 0.431 104 E N 0.035 120.176 120.200 -0.098 0.000 2.085 104 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 104 E C 2.176 178.731 176.600 -0.075 0.000 0.994 104 E CA 1.516 57.862 56.400 -0.090 0.000 0.801 104 E CB -0.067 29.598 29.700 -0.058 0.000 0.743 104 E HN 0.277 nan 8.360 nan 0.000 0.453 105 R N 0.091 120.563 120.500 -0.047 0.000 2.081 105 R HA -0.165 4.174 4.340 -0.000 0.000 0.235 105 R C 2.482 178.775 176.300 -0.011 0.000 1.131 105 R CA 1.330 57.418 56.100 -0.020 0.000 0.960 105 R CB -0.326 29.971 30.300 -0.004 0.000 0.856 105 R HN 0.271 nan 8.270 nan 0.000 0.436 106 L N 1.162 122.371 121.223 -0.023 0.000 2.017 106 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 106 L C 2.019 178.904 176.870 0.024 0.000 1.073 106 L CA 1.679 56.535 54.840 0.026 0.000 0.745 106 L CB -0.385 41.674 42.059 -0.001 0.000 0.894 106 L HN 0.261 nan 8.230 nan 0.000 0.432 107 I N -0.326 120.154 120.570 -0.150 0.000 2.163 107 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 107 I C 2.085 177.974 176.117 -0.380 0.000 1.085 107 I CA 1.576 62.663 61.300 -0.355 0.000 1.347 107 I CB -0.620 37.120 38.000 -0.434 0.000 1.044 107 I HN 0.328 nan 8.210 nan 0.000 0.408 108 D N 0.652 120.963 120.400 -0.149 0.000 2.097 108 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 108 D C 2.082 178.418 176.300 0.060 0.000 0.984 108 D CA 1.232 55.218 54.000 -0.023 0.000 0.826 108 D CB -0.282 40.520 40.800 0.004 0.000 0.973 108 D HN 0.373 nan 8.370 nan 0.000 0.460 109 E N -0.098 120.142 120.200 0.066 0.000 2.110 109 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 109 E C 1.957 178.668 176.600 0.186 0.000 0.988 109 E CA 1.302 57.772 56.400 0.116 0.000 0.804 109 E CB 0.116 29.880 29.700 0.106 0.000 0.745 109 E HN 0.203 nan 8.360 nan 0.000 0.458 110 T N 0.518 115.197 114.554 0.208 0.000 2.812 110 T HA -0.090 4.260 4.350 -0.000 0.000 0.264 110 T C 1.402 176.358 174.700 0.425 0.000 1.042 110 T CA 0.695 62.998 62.100 0.339 0.000 1.140 110 T CB -0.222 68.854 68.868 0.346 0.000 0.870 110 T HN 0.083 nan 8.240 nan 0.000 0.445 111 F N 2.040 122.056 119.950 0.111 0.000 2.216 111 F HA -0.004 4.523 4.527 -0.000 0.000 0.300 111 F C 2.785 178.650 175.800 0.109 0.000 1.085 111 F CA 0.053 58.103 58.000 0.083 0.000 1.326 111 F CB -1.390 37.687 39.000 0.128 0.000 1.027 111 F HN 0.114 nan 8.300 nan 0.000 0.497 112 S N -0.467 115.411 115.700 0.298 0.000 2.368 112 S HA -0.173 4.296 4.470 -0.000 0.000 0.224 112 S C 2.176 176.877 174.600 0.169 0.000 1.029 112 S CA 0.976 59.291 58.200 0.192 0.000 0.988 112 S CB -0.209 63.080 63.200 0.147 0.000 0.838 112 S HN 0.272 nan 8.310 nan 0.000 0.462 113 R N 0.534 121.166 120.500 0.220 0.000 2.105 113 R HA -0.069 4.271 4.340 -0.000 0.000 0.239 113 R C 2.214 178.648 176.300 0.223 0.000 1.135 113 R CA 1.128 57.386 56.100 0.263 0.000 0.967 113 R CB -0.360 30.163 30.300 0.372 0.000 0.861 113 R HN 0.313 nan 8.270 nan 0.000 0.442 114 L N 0.896 122.098 121.223 -0.035 0.000 2.156 114 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 114 L C 1.222 177.956 176.870 -0.227 0.000 1.095 114 L CA 1.835 56.353 54.840 -0.535 0.000 0.770 114 L CB -0.395 40.939 42.059 -1.208 0.000 0.914 114 L HN 0.132 nan 8.230 nan 0.000 0.439 115 D N -0.166 120.226 120.400 -0.014 0.000 2.104 115 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 115 D C 2.286 178.601 176.300 0.025 0.000 0.994 115 D CA 1.356 55.392 54.000 0.060 0.000 0.830 115 D CB -0.089 40.768 40.800 0.095 0.000 0.959 115 D HN 0.370 nan 8.370 nan 0.000 0.452 116 R N 0.287 120.814 120.500 0.045 0.000 2.096 116 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 116 R C 2.410 178.733 176.300 0.039 0.000 1.127 116 R CA 0.569 56.698 56.100 0.048 0.000 0.968 116 R CB -0.334 30.009 30.300 0.072 0.000 0.861 116 R HN 0.093 nan 8.270 nan 0.000 0.440 117 V N 1.267 121.205 119.914 0.041 0.000 2.358 117 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 117 V C 2.219 178.311 176.094 -0.003 0.000 1.047 117 V CA 1.568 63.894 62.300 0.043 0.000 1.035 117 V CB -0.296 31.579 31.823 0.086 0.000 0.658 117 V HN 0.270 nan 8.190 nan 0.000 0.452 118 I N 0.124 120.668 120.570 -0.043 0.000 2.179 118 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 118 I C 2.287 178.387 176.117 -0.027 0.000 1.088 118 I CA 1.599 62.870 61.300 -0.047 0.000 1.357 118 I CB -0.505 37.462 38.000 -0.055 0.000 1.051 118 I HN 0.329 nan 8.210 nan 0.000 0.409 119 D N 0.554 120.948 120.400 -0.011 0.000 2.123 119 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 119 D C 1.958 178.252 176.300 -0.010 0.000 0.992 119 D CA 1.292 55.286 54.000 -0.009 0.000 0.833 119 D CB -0.308 40.493 40.800 0.003 0.000 0.954 119 D HN 0.449 nan 8.370 nan 0.000 0.455 120 E N 0.673 120.874 120.200 0.000 0.000 2.031 120 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 120 E C 2.036 178.629 176.600 -0.012 0.000 0.994 120 E CA 1.179 57.581 56.400 0.004 0.000 0.800 120 E CB -0.057 29.655 29.700 0.020 0.000 0.752 120 E HN 0.153 nan 8.360 nan 0.000 0.447 121 A N 1.249 124.057 122.820 -0.021 0.000 1.940 121 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 121 A C 2.241 179.759 177.584 -0.109 0.000 1.176 121 A CA 1.380 53.382 52.037 -0.059 0.000 0.631 121 A CB -0.693 18.272 19.000 -0.058 0.000 0.814 121 A HN 0.339 nan 8.150 nan 0.000 0.446 122 L N -1.052 120.123 121.223 -0.080 0.000 1.994 122 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 122 L C 3.147 179.977 176.870 -0.066 0.000 1.071 122 L CA 1.272 56.063 54.840 -0.083 0.000 0.745 122 L CB -0.723 41.303 42.059 -0.055 0.000 0.892 122 L HN 0.440 nan 8.230 nan 0.000 0.431 123 A N -0.318 122.480 122.820 -0.038 0.000 1.933 123 A HA -0.253 4.066 4.320 -0.000 0.000 0.218 123 A C 2.270 179.846 177.584 -0.013 0.000 1.175 123 A CA 1.846 53.871 52.037 -0.020 0.000 0.628 123 A CB -0.538 18.458 19.000 -0.007 0.000 0.814 123 A HN 0.531 nan 8.150 nan 0.000 0.444 124 E N 0.292 120.483 120.200 -0.015 0.000 2.152 124 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 124 E C 1.888 178.501 176.600 0.020 0.000 0.983 124 E CA 1.514 57.923 56.400 0.015 0.000 0.818 124 E CB -0.057 29.662 29.700 0.032 0.000 0.758 124 E HN 0.710 nan 8.360 nan 0.000 0.467 125 S N -1.532 114.111 115.700 -0.094 0.000 2.497 125 S HA 0.256 4.726 4.470 -0.000 0.000 0.218 125 S C 1.554 176.128 174.600 -0.044 0.000 1.023 125 S CA 0.469 58.579 58.200 -0.151 0.000 0.913 125 S CB 0.712 63.494 63.200 -0.697 0.000 0.800 125 S HN 0.447 nan 8.310 nan 0.000 0.505 126 G N 1.161 109.931 108.800 -0.050 0.000 2.143 126 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.249 126 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.249 126 G C 0.275 175.150 174.900 -0.041 0.000 0.981 126 G CA 0.077 45.162 45.100 -0.025 0.000 0.665 126 G HN 1.195 nan 8.290 nan 0.000 0.528 127 A N -0.513 122.262 122.820 -0.075 0.000 2.257 127 A HA 0.678 4.998 4.320 -0.000 0.000 0.289 127 A C 0.994 178.544 177.584 -0.057 0.000 1.095 127 A CA 0.451 52.447 52.037 -0.068 0.000 0.836 127 A CB 0.564 19.506 19.000 -0.096 0.000 1.111 127 A HN 0.099 nan 8.150 nan 0.000 0.497 128 D N -0.448 119.923 120.400 -0.049 0.000 2.389 128 D HA 0.165 4.804 4.640 -0.000 0.000 0.206 128 D C -0.063 176.208 176.300 -0.048 0.000 1.055 128 D CA 0.957 54.931 54.000 -0.045 0.000 0.856 128 D CB 0.431 41.207 40.800 -0.040 0.000 0.957 128 D HN 0.493 nan 8.370 nan 0.000 0.509 129 K N -0.039 120.330 120.400 -0.051 0.000 2.533 129 K HA 0.498 4.818 4.320 -0.000 0.000 0.272 129 K C -0.895 175.680 176.600 -0.042 0.000 0.985 129 K CA -0.875 55.383 56.287 -0.048 0.000 0.876 129 K CB 3.303 35.771 32.500 -0.054 0.000 1.452 129 K HN -0.170 nan 8.250 nan 0.000 0.439 130 V N -2.456 117.439 119.914 -0.031 0.000 3.126 130 V HA 0.602 4.722 4.120 -0.000 0.000 0.314 130 V C -1.265 174.841 176.094 0.019 0.000 1.138 130 V CA -0.814 61.475 62.300 -0.019 0.000 1.034 130 V CB 2.099 33.897 31.823 -0.041 0.000 1.075 130 V HN 0.615 nan 8.190 nan 0.000 0.442 131 D N 2.060 122.484 120.400 0.040 0.000 2.193 131 D HA 0.612 5.252 4.640 -0.000 0.000 0.244 131 D C -0.667 175.643 176.300 0.016 0.000 1.064 131 D CA 0.092 54.140 54.000 0.081 0.000 0.845 131 D CB 2.047 42.912 40.800 0.108 0.000 1.148 131 D HN 0.556 nan 8.370 nan 0.000 0.464 132 L N 1.567 122.801 121.223 0.017 0.000 2.329 132 L HA 0.554 4.894 4.340 -0.000 0.000 0.279 132 L C -0.465 176.384 176.870 -0.034 0.000 1.014 132 L CA -1.013 53.796 54.840 -0.051 0.000 0.814 132 L CB 2.011 44.028 42.059 -0.071 0.000 1.257 132 L HN -0.029 nan 8.230 nan 0.000 0.424 133 V N 1.638 121.500 119.914 -0.086 0.000 2.577 133 V HA 0.709 4.829 4.120 -0.000 0.000 0.303 133 V C 0.235 176.252 176.094 -0.129 0.000 1.042 133 V CA -0.480 61.801 62.300 -0.032 0.000 0.872 133 V CB 1.747 33.592 31.823 0.035 0.000 0.998 133 V HN 0.887 nan 8.190 nan 0.000 0.423 134 G N 1.730 110.474 108.800 -0.094 0.000 2.473 134 G HA2 0.640 4.600 3.960 -0.000 0.000 0.321 134 G HA3 0.640 4.600 3.960 -0.000 0.000 0.321 134 G C -1.449 173.460 174.900 0.015 0.000 1.200 134 G CA -0.446 44.541 45.100 -0.188 0.000 0.963 134 G HN 0.777 nan 8.290 nan 0.000 0.483 135 H N 0.922 119.913 119.070 -0.131 0.000 2.689 135 H HA 0.490 5.046 4.556 -0.000 0.000 0.346 135 H C 0.579 175.971 175.328 0.107 0.000 1.037 135 H CA 0.299 56.377 56.048 0.049 0.000 1.234 135 H CB 1.896 31.766 29.762 0.181 0.000 1.572 135 H HN 0.791 nan 8.280 nan 0.000 0.524 136 S N 3.064 118.606 115.700 -0.263 0.000 4.139 136 S HA -0.380 4.090 4.470 -0.000 0.000 0.603 136 S C 1.690 176.448 174.600 0.263 0.000 1.897 136 S CA 1.927 60.135 58.200 0.013 0.000 4.241 136 S CB -1.222 61.931 63.200 -0.078 0.000 0.221 136 S HN 0.860 nan 8.310 nan 0.000 0.488 137 M N 1.534 121.296 119.600 0.271 0.000 2.358 137 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 137 M C 1.859 178.382 176.300 0.372 0.000 1.064 137 M CA 2.243 57.770 55.300 0.378 0.000 1.093 137 M CB -0.840 31.932 32.600 0.287 0.000 1.401 137 M HN 0.641 nan 8.290 nan 0.000 0.440 138 G N -0.478 108.421 108.800 0.165 0.000 2.462 138 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 138 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 138 G C 1.439 176.375 174.900 0.059 0.000 1.121 138 G CA 1.460 46.552 45.100 -0.012 0.000 0.758 138 G HN 0.625 nan 8.290 nan 0.000 0.559 139 T N -1.982 112.645 114.554 0.122 0.000 2.896 139 T HA 0.043 4.393 4.350 -0.000 0.000 0.263 139 T C 2.083 176.820 174.700 0.063 0.000 1.050 139 T CA 0.702 62.827 62.100 0.042 0.000 1.140 139 T CB -0.403 68.448 68.868 -0.030 0.000 0.877 139 T HN 0.144 nan 8.240 nan 0.000 0.457 140 F N 0.496 120.546 119.950 0.166 0.000 2.146 140 F HA 0.154 4.681 4.527 -0.000 0.000 0.298 140 F C 2.073 178.035 175.800 0.270 0.000 1.096 140 F CA 0.885 59.006 58.000 0.200 0.000 1.275 140 F CB -0.631 38.510 39.000 0.235 0.000 1.008 140 F HN 0.131 nan 8.300 nan 0.000 0.480 141 F N 0.655 120.795 119.950 0.317 0.000 2.046 141 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 141 F C 2.116 177.943 175.800 0.044 0.000 1.123 141 F CA 1.697 59.796 58.000 0.164 0.000 1.199 141 F CB -0.499 38.337 39.000 -0.274 0.000 0.972 141 F HN -0.172 nan 8.300 nan 0.000 0.474 142 L N -0.530 120.856 121.223 0.272 0.000 2.042 142 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 142 L C 2.370 179.261 176.870 0.036 0.000 1.076 142 L CA 1.114 56.006 54.840 0.088 0.000 0.749 142 L CB -0.868 41.195 42.059 0.006 0.000 0.893 142 L HN 0.073 nan 8.230 nan 0.000 0.432 143 V N -0.116 119.822 119.914 0.040 0.000 2.343 143 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 143 V C 2.695 178.798 176.094 0.016 0.000 1.051 143 V CA 2.017 64.322 62.300 0.008 0.000 1.036 143 V CB -0.657 31.154 31.823 -0.020 0.000 0.654 143 V HN 0.472 nan 8.190 nan 0.000 0.451 144 R N -1.066 119.485 120.500 0.084 0.000 2.081 144 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 144 R C 2.402 178.687 176.300 -0.026 0.000 1.131 144 R CA 2.116 58.289 56.100 0.121 0.000 0.960 144 R CB -0.513 29.968 30.300 0.302 0.000 0.856 144 R HN 0.594 nan 8.270 nan 0.000 0.436 145 Y N 0.819 120.844 120.300 -0.459 0.000 2.128 145 Y HA -0.220 4.329 4.550 -0.000 0.000 0.284 145 Y C 2.021 177.599 175.900 -0.537 0.000 1.154 145 Y CA 1.832 59.284 58.100 -1.080 0.000 1.149 145 Y CB -0.430 37.286 38.460 -1.239 0.000 0.976 145 Y HN -0.135 nan 8.280 nan 0.000 0.505 146 V N 1.166 120.886 119.914 -0.323 0.000 2.407 146 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 146 V C 1.738 177.675 176.094 -0.262 0.000 1.055 146 V CA 2.181 64.302 62.300 -0.298 0.000 1.049 146 V CB -0.646 31.114 31.823 -0.105 0.000 0.662 146 V HN 0.487 nan 8.190 nan 0.000 0.455 147 N N 0.291 118.885 118.700 -0.176 0.000 2.515 147 N HA -0.058 4.682 4.740 -0.000 0.000 0.185 147 N C 1.988 177.427 175.510 -0.119 0.000 1.109 147 N CA 1.168 54.149 53.050 -0.115 0.000 0.903 147 N CB -0.002 38.455 38.487 -0.051 0.000 0.969 147 N HN 0.654 nan 8.380 nan 0.000 0.450 148 S N -0.633 114.959 115.700 -0.179 0.000 2.428 148 S HA 0.004 4.474 4.470 -0.000 0.000 0.230 148 S C 0.835 175.359 174.600 -0.126 0.000 1.014 148 S CA 0.250 58.388 58.200 -0.105 0.000 0.957 148 S CB -0.043 63.131 63.200 -0.043 0.000 0.784 148 S HN 0.258 nan 8.310 nan 0.000 0.499 149 S N -0.732 114.849 115.700 -0.197 0.000 2.552 149 S HA 0.530 5.000 4.470 -0.000 0.000 0.272 149 S C -3.109 171.395 174.600 -0.160 0.000 1.150 149 S CA -1.079 57.029 58.200 -0.153 0.000 0.849 149 S CB 1.311 64.429 63.200 -0.137 0.000 1.113 149 S HN -0.059 nan 8.310 nan 0.000 0.458 150 P HA 0.010 nan 4.420 nan 0.000 0.219 150 P C 0.856 178.094 177.300 -0.104 0.000 1.150 150 P CA 1.220 64.262 63.100 -0.097 0.000 0.814 150 P CB 0.037 31.695 31.700 -0.069 0.000 0.787 151 E N -0.355 119.783 120.200 -0.103 0.000 2.077 151 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 151 E C 2.086 178.611 176.600 -0.124 0.000 0.989 151 E CA 1.155 57.499 56.400 -0.094 0.000 0.800 151 E CB -0.606 29.047 29.700 -0.079 0.000 0.746 151 E HN 0.194 nan 8.360 nan 0.000 0.452 152 R N 0.280 120.661 120.500 -0.198 0.000 2.075 152 R HA 0.011 4.351 4.340 -0.000 0.000 0.232 152 R C 2.361 178.532 176.300 -0.215 0.000 1.126 152 R CA 1.194 57.123 56.100 -0.286 0.000 0.963 152 R CB -0.407 29.508 30.300 -0.641 0.000 0.858 152 R HN 0.202 nan 8.270 nan 0.000 0.435 153 A N 1.190 123.890 122.820 -0.200 0.000 1.933 153 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 153 A C 2.322 179.849 177.584 -0.094 0.000 1.175 153 A CA 1.681 53.636 52.037 -0.137 0.000 0.628 153 A CB -0.618 18.310 19.000 -0.120 0.000 0.814 153 A HN 0.409 nan 8.150 nan 0.000 0.444 154 A N -0.438 122.329 122.820 -0.089 0.000 2.070 154 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 154 A C 1.924 179.470 177.584 -0.064 0.000 1.159 154 A CA 1.694 53.689 52.037 -0.071 0.000 0.656 154 A CB -0.335 18.627 19.000 -0.064 0.000 0.800 154 A HN 0.537 nan 8.150 nan 0.000 0.453 155 K N -0.531 119.833 120.400 -0.059 0.000 2.444 155 K HA 0.204 4.524 4.320 -0.000 0.000 0.193 155 K C -0.655 175.922 176.600 -0.040 0.000 1.024 155 K CA -0.070 56.190 56.287 -0.045 0.000 1.077 155 K CB 0.476 32.956 32.500 -0.033 0.000 0.833 155 K HN 0.254 nan 8.250 nan 0.000 0.517 156 V N 1.155 121.042 119.914 -0.045 0.000 2.328 156 V HA 0.207 4.327 4.120 -0.000 0.000 0.278 156 V C 0.775 176.823 176.094 -0.076 0.000 1.021 156 V CA -0.364 61.914 62.300 -0.037 0.000 0.838 156 V CB 1.096 32.907 31.823 -0.019 0.000 0.999 156 V HN 0.171 nan 8.190 nan 0.000 0.447 157 A N 3.883 126.650 122.820 -0.088 0.000 1.903 157 A HA 0.133 4.453 4.320 -0.000 0.000 0.213 157 A C 0.695 178.003 177.584 -0.459 0.000 1.185 157 A CA 1.078 52.964 52.037 -0.252 0.000 0.628 157 A CB -0.105 18.798 19.000 -0.161 0.000 0.830 157 A HN 0.858 nan 8.150 nan 0.000 0.446 158 H N -2.930 116.159 119.070 0.033 0.000 2.930 158 H HA 0.627 5.182 4.556 -0.000 0.000 0.371 158 H C -1.408 173.992 175.328 0.120 0.000 1.169 158 H CA -0.655 55.466 56.048 0.122 0.000 1.157 158 H CB 1.822 31.694 29.762 0.182 0.000 1.789 158 H HN 0.245 nan 8.280 nan 0.000 0.547 159 L N 2.921 124.304 121.223 0.266 0.000 2.341 159 L HA 0.602 4.942 4.340 -0.000 0.000 0.278 159 L C -1.505 175.406 176.870 0.070 0.000 1.005 159 L CA -0.325 54.586 54.840 0.118 0.000 0.818 159 L CB 0.884 42.977 42.059 0.057 0.000 1.259 159 L HN 0.644 nan 8.230 nan 0.000 0.418 160 I N 6.182 126.761 120.570 0.016 0.000 2.418 160 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 160 I C -0.976 175.100 176.117 -0.067 0.000 1.008 160 I CA -0.485 60.779 61.300 -0.059 0.000 1.104 160 I CB 1.697 39.696 38.000 -0.003 0.000 1.264 160 I HN 0.439 nan 8.210 nan 0.000 0.438 161 L N 7.529 128.672 121.223 -0.134 0.000 2.295 161 L HA 0.509 4.848 4.340 -0.000 0.000 0.281 161 L C -0.716 176.047 176.870 -0.178 0.000 1.018 161 L CA -0.484 54.278 54.840 -0.130 0.000 0.841 161 L CB 0.871 42.839 42.059 -0.152 0.000 1.218 161 L HN 0.415 nan 8.230 nan 0.000 0.424 162 L N 3.178 124.381 121.223 -0.035 0.000 2.257 162 L HA 0.291 4.631 4.340 -0.000 0.000 0.290 162 L C 0.282 177.217 176.870 0.108 0.000 1.044 162 L CA -0.506 54.346 54.840 0.021 0.000 0.810 162 L CB 0.912 43.088 42.059 0.195 0.000 1.193 162 L HN 0.563 nan 8.230 nan 0.000 0.425 163 D N 2.577 122.985 120.400 0.013 0.000 2.706 163 D HA -0.177 4.463 4.640 -0.000 0.000 0.230 163 D C 0.511 177.048 176.300 0.395 0.000 1.184 163 D CA 1.316 55.487 54.000 0.285 0.000 0.628 163 D CB -0.182 40.865 40.800 0.412 0.000 1.019 163 D HN 0.862 nan 8.370 nan 0.000 0.415 164 G N -1.547 107.456 108.800 0.337 0.000 3.359 164 G HA2 0.375 4.335 3.960 -0.000 0.000 0.187 164 G HA3 0.375 4.335 3.960 -0.000 0.000 0.187 164 G C -0.173 174.977 174.900 0.417 0.000 1.294 164 G CA 0.025 45.348 45.100 0.372 0.000 0.769 164 G HN 0.413 nan 8.290 nan 0.000 0.733 165 V N 2.438 122.320 119.914 -0.054 0.000 2.814 165 V HA 0.404 4.524 4.120 -0.000 0.000 0.307 165 V C -0.287 175.926 176.094 0.198 0.000 1.089 165 V CA 0.580 62.677 62.300 -0.338 0.000 1.212 165 V CB -0.084 31.262 31.823 -0.794 0.000 0.912 165 V HN 0.609 nan 8.190 nan 0.000 0.497 166 W N 3.991 125.309 121.300 0.029 0.000 3.005 166 W HA 0.595 5.255 4.660 -0.000 0.000 0.343 166 W C 0.354 176.877 176.519 0.006 0.000 1.243 166 W CA -0.783 56.584 57.345 0.037 0.000 1.186 166 W CB 0.805 30.183 29.460 -0.136 0.000 1.453 166 W HN 1.325 nan 8.180 nan 0.000 0.575 167 G N 0.300 109.162 108.800 0.104 0.000 2.160 167 G HA2 0.029 3.989 3.960 -0.000 0.000 0.251 167 G HA3 0.029 3.989 3.960 -0.000 0.000 0.251 167 G C -0.506 174.443 174.900 0.082 0.000 1.008 167 G CA 0.688 45.822 45.100 0.057 0.000 0.724 167 G HN 1.637 nan 8.290 nan 0.000 0.514 168 V N -4.437 115.529 119.914 0.088 0.000 3.158 168 V HA 0.893 5.013 4.120 -0.000 0.000 0.311 168 V C -0.438 175.786 176.094 0.216 0.000 1.181 168 V CA -1.444 60.929 62.300 0.121 0.000 1.054 168 V CB 2.003 33.827 31.823 0.001 0.000 1.085 168 V HN -0.024 nan 8.190 nan 0.000 0.446 169 D N 1.545 122.048 120.400 0.172 0.000 2.255 169 D HA 0.686 5.326 4.640 -0.000 0.000 0.249 169 D C 0.400 176.750 176.300 0.084 0.000 1.078 169 D CA 0.560 54.660 54.000 0.166 0.000 0.896 169 D CB 1.662 42.525 40.800 0.105 0.000 1.194 169 D HN 1.119 nan 8.370 nan 0.000 0.429 170 A N 2.975 125.843 122.820 0.080 0.000 2.425 170 A HA 0.384 4.704 4.320 -0.000 0.000 0.242 170 A C -2.103 175.497 177.584 0.026 0.000 1.077 170 A CA -0.930 51.130 52.037 0.039 0.000 0.781 170 A CB -0.318 18.709 19.000 0.044 0.000 1.020 170 A HN 0.381 nan 8.150 nan 0.000 0.494 171 P HA 0.026 nan 4.420 nan 0.000 0.262 171 P C -0.063 177.237 177.300 -0.000 0.000 1.182 171 P CA 0.214 63.311 63.100 -0.006 0.000 0.761 171 P CB 0.330 32.017 31.700 -0.020 0.000 0.795 172 E N 2.900 123.097 120.200 -0.005 0.000 2.529 172 E HA 0.069 4.419 4.350 -0.000 0.000 0.259 172 E C 1.130 177.724 176.600 -0.011 0.000 0.966 172 E CA 0.814 57.212 56.400 -0.003 0.000 0.937 172 E CB -0.447 29.248 29.700 -0.009 0.000 0.923 172 E HN 0.775 nan 8.360 nan 0.000 0.468 173 G N 4.400 113.198 108.800 -0.004 0.000 2.168 173 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.263 173 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.263 173 G C 0.068 174.956 174.900 -0.019 0.000 0.977 173 G CA 0.294 45.386 45.100 -0.013 0.000 0.659 173 G HN 0.470 nan 8.290 nan 0.000 0.533 174 I N 0.958 121.525 120.570 -0.005 0.000 2.354 174 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 174 I C -2.254 173.892 176.117 0.049 0.000 1.007 174 I CA -3.350 57.949 61.300 -0.002 0.000 1.167 174 I CB 1.148 39.148 38.000 0.000 0.000 1.320 174 I HN -0.203 nan 8.210 nan 0.000 0.458 175 P HA 0.077 nan 4.420 nan 0.000 0.258 175 P C -0.453 177.068 177.300 0.368 0.000 1.187 175 P CA 0.618 63.838 63.100 0.200 0.000 0.767 175 P CB 0.299 32.062 31.700 0.106 0.000 0.770 176 T N 4.168 118.896 114.554 0.289 0.000 2.856 176 T HA 0.565 4.915 4.350 -0.000 0.000 0.283 176 T C -0.666 173.929 174.700 -0.176 0.000 1.008 176 T CA -0.478 61.685 62.100 0.106 0.000 0.997 176 T CB 0.985 69.870 68.868 0.029 0.000 0.992 176 T HN 0.132 nan 8.240 nan 0.000 0.454 177 L N 2.796 123.717 121.223 -0.504 0.000 2.356 177 L HA 0.880 5.220 4.340 -0.000 0.000 0.277 177 L C -0.854 175.742 176.870 -0.456 0.000 0.996 177 L CA -0.576 53.800 54.840 -0.774 0.000 0.822 177 L CB 1.064 42.269 42.059 -1.425 0.000 1.256 177 L HN 0.757 nan 8.230 nan 0.000 0.413 178 A N 4.960 127.527 122.820 -0.422 0.000 2.331 178 A HA 0.821 5.141 4.320 -0.000 0.000 0.320 178 A C -1.346 175.834 177.584 -0.673 0.000 1.138 178 A CA -0.544 51.185 52.037 -0.514 0.000 0.790 178 A CB 1.508 20.253 19.000 -0.425 0.000 1.206 178 A HN 0.565 nan 8.150 nan 0.000 0.470 179 V N 2.570 122.050 119.914 -0.724 0.000 2.487 179 V HA 0.585 4.704 4.120 -0.000 0.000 0.298 179 V C -1.150 174.563 176.094 -0.634 0.000 1.028 179 V CA -0.309 61.661 62.300 -0.550 0.000 0.860 179 V CB 0.992 32.692 31.823 -0.205 0.000 0.991 179 V HN 0.723 nan 8.190 nan 0.000 0.427 180 F N 2.076 121.951 119.950 -0.126 0.000 2.508 180 F HA 0.856 5.382 4.527 -0.000 0.000 0.325 180 F C 0.851 176.741 175.800 0.150 0.000 1.090 180 F CA -0.383 57.642 58.000 0.042 0.000 0.945 180 F CB 2.177 41.209 39.000 0.054 0.000 1.156 180 F HN 0.625 nan 8.300 nan 0.000 0.463 181 G N 0.409 109.443 108.800 0.391 0.000 2.990 181 G HA2 0.317 4.277 3.960 -0.000 0.000 0.208 181 G HA3 0.317 4.277 3.960 -0.000 0.000 0.208 181 G C -1.235 173.818 174.900 0.254 0.000 1.334 181 G CA -0.607 44.687 45.100 0.323 0.000 1.024 181 G HN 0.520 nan 8.290 nan 0.000 0.574 182 N N -0.079 118.738 118.700 0.195 0.000 2.733 182 N HA 0.368 5.107 4.740 -0.000 0.000 0.271 182 N C -1.898 173.679 175.510 0.113 0.000 1.720 182 N CA -1.528 51.596 53.050 0.124 0.000 0.803 182 N CB 1.769 40.311 38.487 0.092 0.000 1.208 182 N HN -0.024 nan 8.380 nan 0.000 0.498 183 P HA -0.130 nan 4.420 nan 0.000 0.215 183 P C 0.546 177.896 177.300 0.084 0.000 1.157 183 P CA 1.421 64.603 63.100 0.137 0.000 0.868 183 P CB 0.302 32.094 31.700 0.154 0.000 0.788 184 K N -1.010 119.422 120.400 0.053 0.000 2.555 184 K HA 0.229 4.549 4.320 -0.000 0.000 0.193 184 K C 0.902 177.516 176.600 0.022 0.000 1.032 184 K CA 0.616 56.922 56.287 0.031 0.000 1.004 184 K CB -0.310 32.197 32.500 0.012 0.000 0.804 184 K HN 0.005 nan 8.250 nan 0.000 0.496 185 A N 0.376 123.211 122.820 0.025 0.000 2.860 185 A HA -0.195 4.125 4.320 -0.000 0.000 0.267 185 A C 0.234 177.818 177.584 -0.001 0.000 1.421 185 A CA 0.368 52.411 52.037 0.009 0.000 0.831 185 A CB -2.451 16.548 19.000 -0.002 0.000 1.041 185 A HN 0.207 nan 8.150 nan 0.000 0.623 194 E N 0.717 120.757 120.200 -0.266 0.000 2.271 194 E HA -0.214 4.136 4.350 -0.000 0.000 0.209 194 E C 0.072 176.461 176.600 -0.351 0.000 1.046 194 E CA 1.419 57.665 56.400 -0.257 0.000 0.840 194 E CB 0.101 29.629 29.700 -0.286 0.000 0.738 194 E HN 0.267 nan 8.360 nan 0.000 0.470 195 K N 0.552 120.654 120.400 -0.497 0.000 2.211 195 K HA 0.410 4.730 4.320 -0.000 0.000 0.275 195 K C -0.687 175.683 176.600 -0.384 0.000 1.024 195 K CA -0.289 55.587 56.287 -0.684 0.000 0.887 195 K CB 2.079 33.750 32.500 -1.381 0.000 1.084 195 K HN -0.217 nan 8.250 nan 0.000 0.463 196 V N 2.585 122.398 119.914 -0.167 0.000 3.048 196 V HA 0.267 4.387 4.120 -0.000 0.000 0.303 196 V C -1.002 175.015 176.094 -0.128 0.000 1.214 196 V CA -1.030 61.229 62.300 -0.069 0.000 0.984 196 V CB 2.359 34.064 31.823 -0.196 0.000 1.054 196 V HN 0.404 nan 8.190 nan 0.000 0.430 197 V N 3.834 123.709 119.914 -0.065 0.000 2.357 197 V HA 0.455 4.575 4.120 -0.000 0.000 0.284 197 V C -0.845 175.118 176.094 -0.217 0.000 1.018 197 V CA -0.734 61.508 62.300 -0.097 0.000 0.841 197 V CB 1.382 33.236 31.823 0.052 0.000 0.991 197 V HN 0.730 nan 8.190 nan 0.000 0.437 198 Y N 3.544 123.898 120.300 0.090 0.000 2.411 198 Y HA 0.160 4.710 4.550 -0.000 0.000 0.333 198 Y C 1.365 177.295 175.900 0.051 0.000 1.186 198 Y CA 0.225 58.365 58.100 0.067 0.000 1.381 198 Y CB -0.042 38.450 38.460 0.053 0.000 1.273 198 Y HN 0.849 nan 8.280 nan 0.000 0.546 199 N N -1.160 117.665 118.700 0.210 0.000 2.782 199 N HA -0.191 4.549 4.740 -0.000 0.000 0.251 199 N C -0.810 174.755 175.510 0.092 0.000 1.101 199 N CA 0.361 53.490 53.050 0.131 0.000 0.764 199 N CB -0.878 37.678 38.487 0.115 0.000 1.122 199 N HN 0.653 nan 8.380 nan 0.000 0.561 200 A N -0.515 122.344 122.820 0.065 0.000 2.386 200 A HA 0.757 5.077 4.320 -0.000 0.000 0.308 200 A C 0.089 177.674 177.584 0.001 0.000 1.128 200 A CA -0.370 51.680 52.037 0.021 0.000 0.789 200 A CB 1.244 20.222 19.000 -0.036 0.000 1.325 200 A HN 0.033 nan 8.150 nan 0.000 0.437 201 T N 2.507 117.034 114.554 -0.045 0.000 2.761 201 T HA 0.264 4.614 4.350 -0.000 0.000 0.296 201 T C -0.158 174.440 174.700 -0.170 0.000 0.934 201 T CA -0.009 62.053 62.100 -0.064 0.000 1.091 201 T CB -0.314 68.518 68.868 -0.060 0.000 0.896 201 T HN 0.527 nan 8.240 nan 0.000 0.515 202 N N 2.604 121.222 118.700 -0.137 0.000 2.392 202 N HA 0.495 5.235 4.740 -0.000 0.000 0.283 202 N C -1.128 174.141 175.510 -0.401 0.000 1.003 202 N CA -0.429 52.462 53.050 -0.265 0.000 0.892 202 N CB 2.284 40.692 38.487 -0.132 0.000 1.193 202 N HN 0.247 nan 8.380 nan 0.000 0.487 203 V N 2.960 122.513 119.914 -0.601 0.000 2.680 203 V HA 0.476 4.596 4.120 -0.000 0.000 0.309 203 V C -1.270 174.314 176.094 -0.850 0.000 1.052 203 V CA -0.589 61.349 62.300 -0.604 0.000 0.908 203 V CB 1.421 32.958 31.823 -0.476 0.000 1.001 203 V HN 0.517 nan 8.190 nan 0.000 0.431 204 Y N 3.426 123.500 120.300 -0.377 0.000 2.391 204 Y HA 0.665 5.215 4.550 -0.000 0.000 0.341 204 Y C -0.728 174.911 175.900 -0.436 0.000 0.965 204 Y CA -0.856 57.087 58.100 -0.261 0.000 1.067 204 Y CB 1.875 40.281 38.460 -0.089 0.000 1.199 204 Y HN 0.484 nan 8.280 nan 0.000 0.450 205 F N 2.797 122.861 119.950 0.190 0.000 2.443 205 F HA 0.371 4.898 4.527 -0.000 0.000 0.369 205 F C 0.555 176.430 175.800 0.125 0.000 1.090 205 F CA -1.316 56.754 58.000 0.117 0.000 1.129 205 F CB 0.772 39.812 39.000 0.067 0.000 1.367 205 F HN 0.526 nan 8.300 nan 0.000 0.465 206 N N 1.734 120.583 118.700 0.248 0.000 2.449 206 N HA -0.073 4.667 4.740 -0.000 0.000 0.191 206 N C 0.817 176.405 175.510 0.130 0.000 1.161 206 N CA 0.302 53.449 53.050 0.161 0.000 0.863 206 N CB 0.055 38.593 38.487 0.087 0.000 0.980 206 N HN 0.515 nan 8.380 nan 0.000 0.458 207 N N -0.207 118.584 118.700 0.152 0.000 2.187 207 N HA 0.077 4.817 4.740 -0.000 0.000 0.212 207 N C -0.057 175.508 175.510 0.091 0.000 1.152 207 N CA -0.030 53.076 53.050 0.094 0.000 0.872 207 N CB 0.320 38.854 38.487 0.079 0.000 1.025 207 N HN 0.055 nan 8.380 nan 0.000 0.514 208 M N 0.940 120.622 119.600 0.136 0.000 2.404 208 M HA 0.308 4.787 4.480 -0.000 0.000 0.338 208 M C 0.001 176.389 176.300 0.147 0.000 1.150 208 M CA -0.624 54.747 55.300 0.119 0.000 1.016 208 M CB 2.119 34.787 32.600 0.113 0.000 1.672 208 M HN 0.022 nan 8.290 nan 0.000 0.448 209 T N -3.081 111.556 114.554 0.138 0.000 2.862 209 T HA 0.220 4.570 4.350 -0.000 0.000 0.276 209 T C 0.868 175.723 174.700 0.259 0.000 0.974 209 T CA -0.425 61.788 62.100 0.188 0.000 0.966 209 T CB 0.901 69.867 68.868 0.163 0.000 1.072 209 T HN 0.729 nan 8.240 nan 0.000 0.538 210 H N 0.128 119.328 119.070 0.218 0.000 2.265 210 H HA -0.093 4.463 4.556 -0.000 0.000 0.295 210 H C 1.856 177.373 175.328 0.315 0.000 1.084 210 H CA 2.490 58.714 56.048 0.294 0.000 1.261 210 H CB -0.758 29.206 29.762 0.337 0.000 1.360 210 H HN 0.344 nan 8.280 nan 0.000 0.487 211 V N 0.628 120.622 119.914 0.132 0.000 2.453 211 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 211 V C 2.557 178.604 176.094 -0.078 0.000 1.048 211 V CA 1.911 64.175 62.300 -0.058 0.000 1.049 211 V CB -0.658 31.165 31.823 -0.002 0.000 0.672 211 V HN 0.536 nan 8.190 nan 0.000 0.457 212 Q N -0.208 119.607 119.800 0.024 0.000 2.112 212 Q HA -0.262 4.077 4.340 -0.000 0.000 0.206 212 Q C 2.343 178.314 176.000 -0.049 0.000 0.987 212 Q CA 1.994 57.799 55.803 0.004 0.000 0.858 212 Q CB -0.291 28.473 28.738 0.043 0.000 0.905 212 Q HN 0.516 nan 8.270 nan 0.000 0.420 213 L N 0.869 122.087 121.223 -0.008 0.000 2.043 213 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 213 L C 2.418 179.232 176.870 -0.093 0.000 1.075 213 L CA 2.061 56.899 54.840 -0.004 0.000 0.752 213 L CB -1.615 40.519 42.059 0.125 0.000 0.891 213 L HN 0.608 nan 8.230 nan 0.000 0.432 214 C N 0.060 119.228 119.300 -0.220 0.000 2.429 214 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 214 C C 2.779 177.621 174.990 -0.246 0.000 1.262 214 C CA 1.699 60.520 59.018 -0.327 0.000 1.733 214 C CB -0.950 26.309 27.740 -0.801 0.000 2.010 214 C HN 0.781 nan 8.230 nan 0.000 0.483 215 T N -2.047 112.369 114.554 -0.229 0.000 3.069 215 T HA 0.147 4.497 4.350 -0.000 0.000 0.252 215 T C 0.671 175.238 174.700 -0.223 0.000 1.053 215 T CA 0.604 62.567 62.100 -0.229 0.000 0.964 215 T CB -0.300 68.480 68.868 -0.147 0.000 1.005 215 T HN 0.409 nan 8.240 nan 0.000 0.532 216 S N 2.848 118.420 115.700 -0.214 0.000 2.572 216 S HA 0.222 4.692 4.470 -0.000 0.000 0.279 216 S C -1.113 173.266 174.600 -0.369 0.000 1.341 216 S CA -1.294 56.741 58.200 -0.276 0.000 1.043 216 S CB 1.026 64.052 63.200 -0.291 0.000 0.887 216 S HN 0.146 nan 8.310 nan 0.000 0.516 217 P HA -0.058 nan 4.420 nan 0.000 0.221 217 P C 0.703 177.817 177.300 -0.310 0.000 1.150 217 P CA 1.067 63.876 63.100 -0.484 0.000 0.800 217 P CB 0.082 31.320 31.700 -0.769 0.000 0.787 218 E N -0.450 119.514 120.200 -0.393 0.000 2.107 218 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 218 E C 1.909 178.315 176.600 -0.325 0.000 0.982 218 E CA 1.200 57.368 56.400 -0.387 0.000 0.809 218 E CB -0.654 28.663 29.700 -0.639 0.000 0.756 218 E HN 0.223 nan 8.360 nan 0.000 0.459 219 T N 1.335 115.672 114.554 -0.361 0.000 2.788 219 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 219 T C 1.474 176.121 174.700 -0.088 0.000 1.044 219 T CA 0.949 62.983 62.100 -0.110 0.000 1.139 219 T CB -0.349 68.463 68.868 -0.092 0.000 0.867 219 T HN 0.158 nan 8.240 nan 0.000 0.454 220 F N 2.585 122.375 119.950 -0.267 0.000 2.069 220 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 220 F C 2.453 178.109 175.800 -0.241 0.000 1.113 220 F CA 1.100 58.899 58.000 -0.336 0.000 1.214 220 F CB -0.898 37.799 39.000 -0.504 0.000 0.978 220 F HN 0.148 nan 8.300 nan 0.000 0.474 221 A N -0.171 122.387 122.820 -0.437 0.000 1.908 221 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 221 A C 2.328 179.758 177.584 -0.256 0.000 1.181 221 A CA 2.056 53.834 52.037 -0.432 0.000 0.627 221 A CB -1.418 17.467 19.000 -0.191 0.000 0.818 221 A HN 0.314 nan 8.150 nan 0.000 0.445 222 V N -0.186 119.664 119.914 -0.107 0.000 2.548 222 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 222 V C 2.570 178.648 176.094 -0.026 0.000 1.055 222 V CA 1.953 64.246 62.300 -0.013 0.000 1.065 222 V CB -0.600 31.275 31.823 0.087 0.000 0.681 222 V HN 0.566 nan 8.190 nan 0.000 0.462 223 M N -1.416 118.132 119.600 -0.087 0.000 2.156 223 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 223 M C 2.178 178.483 176.300 0.008 0.000 1.067 223 M CA 1.949 57.252 55.300 0.004 0.000 1.131 223 M CB -0.501 32.143 32.600 0.073 0.000 1.368 223 M HN 0.395 nan 8.290 nan 0.000 0.416 224 F N 1.557 121.251 119.950 -0.428 0.000 2.095 224 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 224 F C 2.420 178.062 175.800 -0.264 0.000 1.104 224 F CA 2.134 59.892 58.000 -0.402 0.000 1.232 224 F CB -0.322 38.130 39.000 -0.913 0.000 0.987 224 F HN 0.187 nan 8.300 nan 0.000 0.475 225 E N -0.722 119.522 120.200 0.073 0.000 2.085 225 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 225 E C 2.259 178.838 176.600 -0.035 0.000 0.994 225 E CA 1.567 57.984 56.400 0.030 0.000 0.801 225 E CB -0.565 29.166 29.700 0.052 0.000 0.743 225 E HN 0.466 nan 8.360 nan 0.000 0.453 226 F N 1.665 121.530 119.950 -0.143 0.000 2.186 226 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 226 F C 2.047 177.626 175.800 -0.370 0.000 1.090 226 F CA 1.575 59.471 58.000 -0.174 0.000 1.307 226 F CB -0.052 38.867 39.000 -0.136 0.000 1.019 226 F HN 0.144 nan 8.300 nan 0.000 0.489 227 I N -2.840 117.476 120.570 -0.424 0.000 3.603 227 I HA 0.084 4.253 4.170 -0.000 0.000 0.297 227 I C 0.968 176.797 176.117 -0.480 0.000 1.269 227 I CA 0.674 61.508 61.300 -0.777 0.000 1.361 227 I CB -0.339 37.420 38.000 -0.402 0.000 1.063 227 I HN 0.051 nan 8.210 nan 0.000 0.448 228 N N 1.437 119.881 118.700 -0.427 0.000 2.397 228 N HA 0.157 4.897 4.740 -0.000 0.000 0.190 228 N C 1.385 176.833 175.510 -0.103 0.000 1.099 228 N CA 1.124 53.971 53.050 -0.340 0.000 0.876 228 N CB 1.281 39.263 38.487 -0.842 0.000 1.143 228 N HN 0.537 nan 8.380 nan 0.000 0.468 229 G N 0.921 109.648 108.800 -0.122 0.000 2.141 229 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.231 229 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.231 229 G C -0.473 174.590 174.900 0.271 0.000 0.984 229 G CA 0.608 45.757 45.100 0.081 0.000 0.660 229 G HN 0.455 nan 8.290 nan 0.000 0.525 230 Y N -2.223 118.147 120.300 0.117 0.000 2.592 230 Y HA 0.737 5.287 4.550 -0.000 0.000 0.334 230 Y C -0.176 175.875 175.900 0.251 0.000 1.136 230 Y CA -2.203 55.992 58.100 0.158 0.000 1.042 230 Y CB 0.503 39.062 38.460 0.164 0.000 1.325 230 Y HN 0.084 nan 8.280 nan 0.000 0.457 231 K N 3.552 124.095 120.400 0.237 0.000 2.355 231 K HA 0.267 4.586 4.320 -0.000 0.000 0.270 231 K C -2.414 174.184 176.600 -0.003 0.000 1.003 231 K CA -1.426 54.911 56.287 0.083 0.000 0.957 231 K CB 0.319 32.849 32.500 0.051 0.000 0.939 231 K HN 0.489 nan 8.250 nan 0.000 0.482 232 P HA 0.001 nan 4.420 nan 0.000 0.274 232 P C -0.304 176.853 177.300 -0.237 0.000 1.237 232 P CA -0.079 62.572 63.100 -0.749 0.000 0.793 232 P CB 1.106 32.141 31.700 -1.108 0.000 0.977 233 A N 1.410 124.154 122.820 -0.126 0.000 2.066 233 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 233 A C 1.194 178.742 177.584 -0.060 0.000 1.157 233 A CA 1.523 53.541 52.037 -0.031 0.000 0.670 233 A CB -0.545 18.470 19.000 0.025 0.000 0.804 233 A HN 0.652 nan 8.150 nan 0.000 0.453 234 T N -2.986 111.507 114.554 -0.102 0.000 2.853 234 T HA 0.429 4.778 4.350 -0.000 0.000 0.311 234 T C 0.342 174.970 174.700 -0.121 0.000 1.307 234 T CA 0.324 62.364 62.100 -0.099 0.000 1.019 234 T CB 1.600 70.413 68.868 -0.091 0.000 1.264 234 T HN 0.300 nan 8.240 nan 0.000 0.497 235 T N -1.005 113.467 114.554 -0.137 0.000 3.043 235 T HA 0.348 4.698 4.350 -0.000 0.000 0.272 235 T C -0.091 174.425 174.700 -0.306 0.000 0.990 235 T CA -0.390 61.597 62.100 -0.189 0.000 0.897 235 T CB 0.049 68.838 68.868 -0.132 0.000 1.111 235 T HN 0.498 nan 8.240 nan 0.000 0.529 236 D N 1.599 121.866 120.400 -0.221 0.000 2.329 236 D HA 0.303 4.943 4.640 -0.000 0.000 0.246 236 D C 0.044 176.210 176.300 -0.224 0.000 1.111 236 D CA -0.452 53.436 54.000 -0.187 0.000 0.941 236 D CB 1.484 42.224 40.800 -0.101 0.000 1.169 236 D HN 0.310 nan 8.370 nan 0.000 0.441 237 I N 1.794 122.256 120.570 -0.180 0.000 2.278 237 I HA 0.019 4.189 4.170 -0.000 0.000 0.296 237 I C -0.050 176.013 176.117 -0.089 0.000 1.121 237 I CA -0.478 60.725 61.300 -0.162 0.000 1.267 237 I CB 0.554 38.478 38.000 -0.126 0.000 1.447 237 I HN -0.108 nan 8.210 nan 0.000 0.509 238 V N 8.894 128.757 119.914 -0.086 0.000 2.470 238 V HA 0.123 4.243 4.120 -0.000 0.000 0.276 238 V C -1.922 174.164 176.094 -0.013 0.000 1.040 238 V CA -1.441 60.832 62.300 -0.045 0.000 1.008 238 V CB 0.373 32.171 31.823 -0.042 0.000 0.990 238 V HN 0.536 nan 8.190 nan 0.000 0.477 239 P HA 0.073 nan 4.420 nan 0.000 0.264 239 P C -0.235 177.080 177.300 0.025 0.000 1.193 239 P CA 0.108 63.221 63.100 0.020 0.000 0.763 239 P CB 0.303 32.012 31.700 0.015 0.000 0.810 240 Q N 2.083 121.906 119.800 0.039 0.000 2.318 240 Q HA 0.348 4.688 4.340 -0.000 0.000 0.222 240 Q C -0.471 175.552 176.000 0.039 0.000 1.003 240 Q CA -0.834 54.993 55.803 0.041 0.000 0.936 240 Q CB 0.681 29.449 28.738 0.051 0.000 1.204 240 Q HN 0.341 nan 8.270 nan 0.000 0.524 241 D N -0.402 120.022 120.400 0.039 0.000 2.348 241 D HA 0.509 5.148 4.640 -0.000 0.000 0.249 241 D C 0.165 176.492 176.300 0.046 0.000 1.110 241 D CA 0.863 54.884 54.000 0.036 0.000 0.967 241 D CB 1.083 41.903 40.800 0.033 0.000 1.139 241 D HN 0.868 nan 8.370 nan 0.000 0.466 242 G N 0.874 109.700 108.800 0.043 0.000 2.712 242 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 242 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 242 G C 0.013 174.937 174.900 0.040 0.000 1.181 242 G CA -0.630 44.507 45.100 0.062 0.000 0.762 242 G HN 0.354 nan 8.290 nan 0.000 0.641 243 D N -0.313 120.097 120.400 0.016 0.000 2.269 243 D HA 0.102 4.742 4.640 -0.000 0.000 0.208 243 D C 0.752 176.867 176.300 -0.309 0.000 0.963 243 D CA 1.520 55.419 54.000 -0.168 0.000 0.864 243 D CB 0.030 40.651 40.800 -0.299 0.000 0.936 243 D HN 0.453 nan 8.370 nan 0.000 0.505 244 Y N -0.689 119.647 120.300 0.059 0.000 2.487 244 Y HA 0.439 4.989 4.550 -0.000 0.000 0.337 244 Y C 0.320 176.247 175.900 0.045 0.000 1.076 244 Y CA -1.339 56.797 58.100 0.060 0.000 1.115 244 Y CB 1.783 40.267 38.460 0.040 0.000 1.235 244 Y HN -0.324 nan 8.280 nan 0.000 0.468 245 V N -0.604 119.423 119.914 0.189 0.000 2.914 245 V HA 0.632 4.752 4.120 -0.000 0.000 0.314 245 V C -1.014 175.084 176.094 0.008 0.000 1.084 245 V CA -1.480 60.870 62.300 0.083 0.000 0.963 245 V CB 1.885 33.751 31.823 0.073 0.000 1.025 245 V HN 0.744 nan 8.190 nan 0.000 0.432 246 K N 2.059 122.425 120.400 -0.057 0.000 2.183 246 K HA 0.741 5.061 4.320 -0.000 0.000 0.274 246 K C -1.525 174.937 176.600 -0.229 0.000 1.009 246 K CA -0.543 55.673 56.287 -0.118 0.000 0.888 246 K CB 1.779 34.214 32.500 -0.108 0.000 1.078 246 K HN 0.708 nan 8.250 nan 0.000 0.459 247 V N 5.177 124.927 119.914 -0.273 0.000 2.444 247 V HA 0.321 4.440 4.120 -0.000 0.000 0.294 247 V C -0.835 175.034 176.094 -0.374 0.000 1.022 247 V CA -0.839 61.231 62.300 -0.383 0.000 0.850 247 V CB 1.539 33.043 31.823 -0.531 0.000 0.992 247 V HN 0.764 nan 8.190 nan 0.000 0.426 248 K N 3.406 123.535 120.400 -0.451 0.000 2.307 248 K HA 0.785 5.105 4.320 -0.000 0.000 0.263 248 K C 0.167 176.406 176.600 -0.602 0.000 0.973 248 K CA -0.364 55.605 56.287 -0.529 0.000 0.846 248 K CB 2.373 34.616 32.500 -0.429 0.000 1.100 248 K HN 0.860 nan 8.250 nan 0.000 0.438 249 G N 1.623 109.825 108.800 -0.997 0.000 2.921 249 G HA2 0.628 4.588 3.960 -0.000 0.000 0.291 249 G HA3 0.628 4.588 3.960 -0.000 0.000 0.291 249 G C -1.652 172.922 174.900 -0.544 0.000 1.370 249 G CA -0.567 44.107 45.100 -0.710 0.000 0.847 249 G HN 0.443 nan 8.290 nan 0.000 0.532 250 K N -0.777 119.584 120.400 -0.065 0.000 2.557 250 K HA 0.545 4.865 4.320 -0.000 0.000 0.261 250 K C -1.930 174.694 176.600 0.041 0.000 0.932 250 K CA -0.749 55.614 56.287 0.126 0.000 0.829 250 K CB 1.603 34.114 32.500 0.018 0.000 1.358 250 K HN 0.218 nan 8.250 nan 0.000 0.430 251 F N 4.860 124.854 119.950 0.073 0.000 2.411 251 F HA 0.472 4.998 4.527 -0.000 0.000 0.350 251 F C 0.161 175.937 175.800 -0.040 0.000 1.114 251 F CA -0.368 57.557 58.000 -0.125 0.000 1.135 251 F CB 1.108 39.824 39.000 -0.475 0.000 1.120 251 F HN 0.418 nan 8.300 nan 0.000 0.495 252 L N 0.588 121.844 121.223 0.055 0.000 2.491 252 L HA 0.980 5.320 4.340 -0.000 0.000 0.254 252 L C -1.127 175.789 176.870 0.077 0.000 1.048 252 L CA -1.527 53.351 54.840 0.064 0.000 0.855 252 L CB 1.696 43.761 42.059 0.010 0.000 1.466 252 L HN 0.502 nan 8.230 nan 0.000 0.409 253 A N 1.347 124.214 122.820 0.078 0.000 2.409 253 A HA 0.434 4.754 4.320 -0.000 0.000 0.262 253 A C -0.440 177.210 177.584 0.110 0.000 1.113 253 A CA -0.271 51.832 52.037 0.110 0.000 0.790 253 A CB -0.054 19.002 19.000 0.093 0.000 1.046 253 A HN 0.598 nan 8.150 nan 0.000 0.496 254 F N 3.355 123.320 119.950 0.024 0.000 2.623 254 F HA 0.282 4.809 4.527 -0.000 0.000 0.383 254 F C 1.232 177.027 175.800 -0.008 0.000 1.077 254 F CA 1.055 59.062 58.000 0.011 0.000 1.268 254 F CB -0.007 39.038 39.000 0.074 0.000 1.053 254 F HN 1.431 nan 8.300 nan 0.000 0.571 255 A N 2.762 125.123 122.820 -0.765 0.000 1.693 255 A HA -0.401 3.919 4.320 -0.000 0.000 0.227 255 A C 1.837 179.197 177.584 -0.373 0.000 0.457 255 A CA 2.249 53.844 52.037 -0.737 0.000 1.106 255 A CB -2.764 15.676 19.000 -0.934 0.000 1.453 255 A HN 1.395 nan 8.150 nan 0.000 0.714 256 T N -3.145 111.277 114.554 -0.220 0.000 3.067 256 T HA 0.219 4.568 4.350 -0.000 0.000 0.257 256 T C 0.833 175.473 174.700 -0.101 0.000 1.105 256 T CA 1.004 63.034 62.100 -0.117 0.000 1.104 256 T CB -0.185 68.660 68.868 -0.039 0.000 0.925 256 T HN 1.218 nan 8.240 nan 0.000 0.498 257 N N 1.431 120.063 118.700 -0.112 0.000 2.714 257 N HA -0.105 4.635 4.740 -0.000 0.000 0.250 257 N C 0.352 175.840 175.510 -0.038 0.000 1.117 257 N CA 0.988 53.983 53.050 -0.092 0.000 0.719 257 N CB -1.596 36.800 38.487 -0.151 0.000 1.081 257 N HN 0.784 nan 8.380 nan 0.000 0.557 258 G N -0.170 108.629 108.800 -0.002 0.000 2.467 258 G HA2 0.321 4.281 3.960 -0.000 0.000 0.257 258 G HA3 0.321 4.281 3.960 -0.000 0.000 0.257 258 G C -0.032 174.895 174.900 0.045 0.000 1.227 258 G CA -0.290 44.824 45.100 0.022 0.000 0.835 258 G HN 0.074 nan 8.290 nan 0.000 0.556 259 D N -0.442 119.986 120.400 0.046 0.000 2.506 259 D HA 0.153 4.793 4.640 -0.000 0.000 0.234 259 D C 0.255 176.614 176.300 0.098 0.000 1.143 259 D CA 0.487 54.528 54.000 0.069 0.000 0.871 259 D CB 1.474 42.306 40.800 0.054 0.000 1.190 259 D HN 0.013 nan 8.370 nan 0.000 0.459 260 V N 1.809 121.806 119.914 0.138 0.000 2.555 260 V HA 0.310 4.430 4.120 -0.000 0.000 0.302 260 V C 0.156 176.345 176.094 0.158 0.000 1.038 260 V CA -0.662 61.744 62.300 0.176 0.000 0.887 260 V CB 2.154 34.130 31.823 0.255 0.000 0.991 260 V HN 0.448 nan 8.190 nan 0.000 0.434 261 S N 2.181 117.934 115.700 0.088 0.000 2.525 261 S HA 0.915 5.385 4.470 -0.000 0.000 0.290 261 S C 0.352 174.863 174.600 -0.148 0.000 1.152 261 S CA 0.107 58.273 58.200 -0.057 0.000 1.072 261 S CB 1.661 64.778 63.200 -0.138 0.000 1.027 261 S HN 1.236 nan 8.310 nan 0.000 0.500 262 G N 0.971 109.551 108.800 -0.368 0.000 2.500 262 G HA2 0.544 4.504 3.960 -0.000 0.000 0.299 262 G HA3 0.544 4.504 3.960 -0.000 0.000 0.299 262 G C -2.537 171.842 174.900 -0.870 0.000 1.242 262 G CA -0.792 43.873 45.100 -0.725 0.000 0.859 262 G HN 0.578 nan 8.290 nan 0.000 0.481 263 W N -0.285 120.602 121.300 -0.689 0.000 2.781 263 W HA 0.672 5.332 4.660 -0.000 0.000 0.333 263 W C -0.773 175.562 176.519 -0.306 0.000 1.047 263 W CA -0.642 56.471 57.345 -0.387 0.000 1.236 263 W CB 2.171 31.501 29.460 -0.217 0.000 1.394 263 W HN 0.455 nan 8.180 nan 0.000 0.466 264 L N 3.050 124.275 121.223 0.003 0.000 2.341 264 L HA 0.816 5.156 4.340 -0.000 0.000 0.278 264 L C -0.544 176.361 176.870 0.058 0.000 1.005 264 L CA -0.174 54.645 54.840 -0.035 0.000 0.818 264 L CB 1.792 43.648 42.059 -0.339 0.000 1.259 264 L HN 0.234 nan 8.230 nan 0.000 0.418 265 S N 5.963 121.684 115.700 0.036 0.000 2.561 265 S HA 0.681 5.151 4.470 -0.000 0.000 0.303 265 S C -0.592 173.870 174.600 -0.230 0.000 1.110 265 S CA -0.406 57.758 58.200 -0.059 0.000 1.034 265 S CB 0.985 64.180 63.200 -0.009 0.000 1.010 265 S HN 0.531 nan 8.310 nan 0.000 0.482 266 I N 3.656 123.972 120.570 -0.424 0.000 2.362 266 I HA 0.423 4.593 4.170 -0.000 0.000 0.289 266 I C -1.383 174.539 176.117 -0.325 0.000 0.994 266 I CA -0.646 60.380 61.300 -0.456 0.000 1.158 266 I CB 1.154 38.734 38.000 -0.700 0.000 1.315 266 I HN 0.566 nan 8.210 nan 0.000 0.451 267 Y N 6.909 127.279 120.300 0.116 0.000 2.376 267 Y HA 0.406 4.956 4.550 -0.000 0.000 0.340 267 Y C -2.296 173.830 175.900 0.377 0.000 0.965 267 Y CA -2.579 55.656 58.100 0.225 0.000 1.078 267 Y CB 1.978 40.553 38.460 0.192 0.000 1.193 267 Y HN 0.354 nan 8.280 nan 0.000 0.452 268 P HA 0.309 nan 4.420 nan 0.000 0.279 268 P C -0.710 176.685 177.300 0.160 0.000 1.239 268 P CA 0.053 63.225 63.100 0.119 0.000 0.789 268 P CB 1.537 33.254 31.700 0.028 0.000 0.933 269 I N -0.688 119.938 120.570 0.094 0.000 3.108 269 I HA 0.577 4.747 4.170 -0.000 0.000 0.312 269 I C -0.186 175.965 176.117 0.057 0.000 1.095 269 I CA -1.360 60.016 61.300 0.127 0.000 1.000 269 I CB 2.107 40.244 38.000 0.228 0.000 1.229 269 I HN 0.166 nan 8.210 nan 0.000 0.454 270 D N 1.189 121.618 120.400 0.048 0.000 2.506 270 D HA 0.090 4.730 4.640 -0.000 0.000 0.272 270 D C 0.797 177.106 176.300 0.016 0.000 1.214 270 D CA -0.381 53.629 54.000 0.016 0.000 1.067 270 D CB 0.497 41.299 40.800 0.003 0.000 1.117 270 D HN 0.808 nan 8.370 nan 0.000 0.578 271 E N -0.643 119.554 120.200 -0.005 0.000 2.331 271 E HA -0.221 4.128 4.350 -0.000 0.000 0.199 271 E C 0.340 176.932 176.600 -0.013 0.000 1.008 271 E CA 0.880 57.272 56.400 -0.013 0.000 0.843 271 E CB -0.449 29.235 29.700 -0.026 0.000 0.761 271 E HN 0.296 nan 8.360 nan 0.000 0.507 272 N N 0.130 118.819 118.700 -0.018 0.000 2.230 272 N HA 0.099 4.839 4.740 -0.000 0.000 0.202 272 N C 0.887 176.370 175.510 -0.044 0.000 1.119 272 N CA 0.742 53.770 53.050 -0.037 0.000 0.851 272 N CB 1.375 39.832 38.487 -0.051 0.000 0.990 272 N HN 0.424 nan 8.380 nan 0.000 0.497 273 G N 1.162 109.963 108.800 0.003 0.000 2.176 273 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.253 273 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.253 273 G C 0.167 175.095 174.900 0.047 0.000 0.979 273 G CA 0.080 45.204 45.100 0.040 0.000 0.641 273 G HN 0.411 nan 8.290 nan 0.000 0.530 274 K N 1.188 121.589 120.400 0.001 0.000 2.322 274 K HA 0.416 4.736 4.320 -0.000 0.000 0.283 274 K C 0.926 177.547 176.600 0.035 0.000 1.042 274 K CA -0.691 55.586 56.287 -0.017 0.000 0.958 274 K CB 0.273 32.749 32.500 -0.040 0.000 0.984 274 K HN 0.334 nan 8.250 nan 0.000 0.473 275 R N 3.795 124.310 120.500 0.025 0.000 2.585 275 R HA -0.032 4.308 4.340 -0.000 0.000 0.275 275 R C 0.905 177.246 176.300 0.069 0.000 1.018 275 R CA 0.073 56.207 56.100 0.056 0.000 1.072 275 R CB 0.322 30.568 30.300 -0.090 0.000 0.953 275 R HN 0.663 nan 8.270 nan 0.000 0.419 276 L N 1.355 122.646 121.223 0.115 0.000 2.416 276 L HA 0.031 4.371 4.340 -0.000 0.000 0.216 276 L C 0.888 177.821 176.870 0.105 0.000 1.098 276 L CA 0.508 55.400 54.840 0.088 0.000 0.840 276 L CB 0.112 42.213 42.059 0.071 0.000 0.981 276 L HN 0.753 nan 8.230 nan 0.000 0.462 277 T N -3.798 110.858 114.554 0.169 0.000 2.952 277 T HA 0.355 4.705 4.350 -0.000 0.000 0.286 277 T C 0.820 175.628 174.700 0.181 0.000 1.024 277 T CA -0.810 61.387 62.100 0.162 0.000 1.029 277 T CB 1.893 70.866 68.868 0.174 0.000 1.094 277 T HN 0.003 nan 8.240 nan 0.000 0.515 278 R N -0.157 120.422 120.500 0.132 0.000 2.173 278 R HA 0.306 4.646 4.340 -0.000 0.000 0.208 278 R C 0.346 176.753 176.300 0.179 0.000 1.035 278 R CA 0.406 56.576 56.100 0.118 0.000 1.004 278 R CB -0.099 30.239 30.300 0.064 0.000 0.917 278 R HN 0.440 nan 8.270 nan 0.000 0.462 279 L N 2.741 124.058 121.223 0.157 0.000 2.334 279 L HA 0.451 4.791 4.340 -0.000 0.000 0.273 279 L C -2.200 174.690 176.870 0.035 0.000 1.013 279 L CA -2.602 52.297 54.840 0.098 0.000 0.816 279 L CB 1.766 43.833 42.059 0.012 0.000 1.278 279 L HN -0.152 nan 8.230 nan 0.000 0.431 280 P HA -0.001 nan 4.420 nan 0.000 0.272 280 P C 0.721 177.853 177.300 -0.280 0.000 1.230 280 P CA -0.253 62.388 63.100 -0.766 0.000 0.788 280 P CB 1.231 32.259 31.700 -1.120 0.000 0.949 281 V N -1.642 118.161 119.914 -0.185 0.000 2.871 281 V HA 0.078 4.198 4.120 -0.000 0.000 0.256 281 V C 0.645 176.694 176.094 -0.076 0.000 1.082 281 V CA 1.248 63.518 62.300 -0.050 0.000 1.105 281 V CB -1.065 30.794 31.823 0.061 0.000 0.713 281 V HN 0.374 nan 8.190 nan 0.000 0.473 282 K N 0.497 120.808 120.400 -0.147 0.000 2.468 282 K HA 0.567 4.887 4.320 -0.000 0.000 0.252 282 K C -1.855 174.719 176.600 -0.043 0.000 0.932 282 K CA -0.352 55.873 56.287 -0.104 0.000 0.794 282 K CB 2.843 35.242 32.500 -0.168 0.000 1.241 282 K HN 0.197 nan 8.250 nan 0.000 0.428 283 F N 4.636 124.487 119.950 -0.164 0.000 2.573 283 F HA 0.607 5.134 4.527 -0.000 0.000 0.316 283 F C -1.252 174.506 175.800 -0.069 0.000 1.148 283 F CA -0.892 57.029 58.000 -0.130 0.000 0.940 283 F CB 1.257 40.197 39.000 -0.101 0.000 1.214 283 F HN 0.558 nan 8.300 nan 0.000 0.448 284 M N 4.265 123.574 119.600 -0.486 0.000 2.534 284 M HA 0.539 5.019 4.480 -0.000 0.000 0.280 284 M C -1.728 174.287 176.300 -0.475 0.000 1.217 284 M CA -1.040 53.968 55.300 -0.488 0.000 0.893 284 M CB 2.223 34.664 32.600 -0.265 0.000 1.730 284 M HN 0.595 nan 8.290 nan 0.000 0.483 285 R N 2.109 122.313 120.500 -0.493 0.000 2.298 285 R HA 0.626 4.966 4.340 -0.000 0.000 0.310 285 R C -1.303 174.703 176.300 -0.490 0.000 1.068 285 R CA -0.259 55.405 56.100 -0.727 0.000 0.957 285 R CB 0.607 30.458 30.300 -0.748 0.000 1.003 285 R HN 0.680 nan 8.270 nan 0.000 0.454 286 V N 1.362 120.986 119.914 -0.483 0.000 2.513 286 V HA 0.617 4.737 4.120 -0.000 0.000 0.299 286 V C -0.585 175.394 176.094 -0.192 0.000 1.035 286 V CA -0.826 61.324 62.300 -0.250 0.000 0.889 286 V CB 1.909 33.619 31.823 -0.189 0.000 0.988 286 V HN 0.760 nan 8.190 nan 0.000 0.440 287 K N 4.021 124.368 120.400 -0.089 0.000 2.624 287 K HA 0.640 4.960 4.320 -0.000 0.000 0.200 287 K C 0.769 177.390 176.600 0.036 0.000 1.036 287 K CA 0.079 56.338 56.287 -0.046 0.000 1.029 287 K CB 1.034 33.489 32.500 -0.075 0.000 1.317 287 K HN 1.401 nan 8.250 nan 0.000 0.555 288 G N 2.185 111.046 108.800 0.103 0.000 2.950 288 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.299 288 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.299 288 G C -0.281 174.746 174.900 0.211 0.000 1.310 288 G CA -0.110 45.076 45.100 0.144 0.000 0.994 288 G HN 0.531 nan 8.290 nan 0.000 0.575 289 D N 1.743 122.216 120.400 0.123 0.000 2.362 289 D HA 0.582 5.222 4.640 -0.000 0.000 0.242 289 D C 0.174 176.587 176.300 0.188 0.000 1.132 289 D CA 1.293 55.345 54.000 0.087 0.000 0.907 289 D CB 0.937 41.730 40.800 -0.012 0.000 1.195 289 D HN 0.640 nan 8.370 nan 0.000 0.429 290 F N -1.622 118.328 119.950 0.000 0.000 2.654 290 F HA 0.517 5.044 4.527 -0.000 0.000 0.308 290 F C -1.083 174.694 175.800 -0.038 0.000 1.108 290 F CA -1.084 56.904 58.000 -0.020 0.000 0.957 290 F CB 1.664 40.666 39.000 0.003 0.000 1.309 290 F HN 0.147 nan 8.300 nan 0.000 0.446 291 E N 2.152 122.387 120.200 0.059 0.000 2.256 291 E HA 0.684 5.033 4.350 -0.000 0.000 0.268 291 E C -2.196 174.435 176.600 0.052 0.000 0.877 291 E CA -0.974 55.382 56.400 -0.074 0.000 0.757 291 E CB 2.889 32.531 29.700 -0.097 0.000 1.183 291 E HN 0.843 nan 8.360 nan 0.000 0.418 292 V N 3.785 123.709 119.914 0.017 0.000 3.114 292 V HA 0.578 4.698 4.120 -0.000 0.000 0.308 292 V C -1.579 174.487 176.094 -0.046 0.000 1.168 292 V CA -0.783 61.526 62.300 0.014 0.000 1.015 292 V CB 2.163 34.024 31.823 0.063 0.000 1.050 292 V HN 0.758 nan 8.190 nan 0.000 0.433 293 R N 4.288 124.766 120.500 -0.037 0.000 2.295 293 R HA 0.745 5.085 4.340 -0.000 0.000 0.324 293 R C -1.605 174.736 176.300 0.067 0.000 0.968 293 R CA -0.442 55.653 56.100 -0.009 0.000 0.837 293 R CB 1.109 31.382 30.300 -0.046 0.000 1.133 293 R HN 0.785 nan 8.270 nan 0.000 0.450 294 L N 2.821 124.107 121.223 0.104 0.000 2.283 294 L HA 0.596 4.935 4.340 -0.000 0.000 0.259 294 L C 0.122 177.185 176.870 0.322 0.000 1.027 294 L CA -1.347 53.600 54.840 0.178 0.000 0.828 294 L CB 1.923 43.952 42.059 -0.051 0.000 1.380 294 L HN 0.506 nan 8.230 nan 0.000 0.425 295 R N 1.389 122.113 120.500 0.373 0.000 2.389 295 R HA 0.166 4.506 4.340 -0.000 0.000 0.295 295 R C -0.271 176.150 176.300 0.201 0.000 1.075 295 R CA -0.462 55.705 56.100 0.112 0.000 1.005 295 R CB 0.771 31.096 30.300 0.042 0.000 0.987 295 R HN 0.410 nan 8.270 nan 0.000 0.452 296 K N 1.119 121.564 120.400 0.075 0.000 2.401 296 K HA 0.004 4.324 4.320 -0.000 0.000 0.278 296 K C 0.754 177.412 176.600 0.097 0.000 1.018 296 K CA 1.046 57.409 56.287 0.127 0.000 0.981 296 K CB 0.463 33.004 32.500 0.067 0.000 0.933 296 K HN 0.789 nan 8.250 nan 0.000 0.477 297 G N 2.107 110.985 108.800 0.130 0.000 2.184 297 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.264 297 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.264 297 G C -0.124 174.798 174.900 0.037 0.000 0.975 297 G CA 0.790 45.930 45.100 0.066 0.000 0.642 297 G HN 0.647 nan 8.290 nan 0.000 0.536 298 Q N 0.234 120.069 119.800 0.059 0.000 2.241 298 Q HA 0.707 5.047 4.340 -0.000 0.000 0.254 298 Q C 0.376 176.287 176.000 -0.149 0.000 0.917 298 Q CA -0.757 54.980 55.803 -0.110 0.000 0.919 298 Q CB 0.779 29.371 28.738 -0.243 0.000 1.237 298 Q HN 0.351 nan 8.270 nan 0.000 0.434 299 L N 4.493 125.617 121.223 -0.166 0.000 2.380 299 L HA 0.305 4.645 4.340 -0.000 0.000 0.273 299 L C -0.782 176.045 176.870 -0.072 0.000 1.138 299 L CA -0.163 54.671 54.840 -0.010 0.000 0.832 299 L CB 0.268 42.356 42.059 0.049 0.000 1.124 299 L HN 0.717 nan 8.230 nan 0.000 0.454 300 Y N 1.192 121.700 120.300 0.347 0.000 2.545 300 Y HA 0.351 4.900 4.550 -0.000 0.000 0.348 300 Y C -0.140 176.039 175.900 0.465 0.000 1.002 300 Y CA -0.877 57.466 58.100 0.405 0.000 1.039 300 Y CB 1.918 40.679 38.460 0.501 0.000 1.271 300 Y HN 0.447 nan 8.280 nan 0.000 0.467 301 E N 2.533 123.096 120.200 0.604 0.000 2.151 301 E HA 0.379 4.728 4.350 -0.000 0.000 0.275 301 E C -1.799 175.052 176.600 0.417 0.000 0.936 301 E CA -0.519 56.107 56.400 0.376 0.000 0.777 301 E CB 0.805 30.746 29.700 0.401 0.000 1.108 301 E HN 0.583 nan 8.360 nan 0.000 0.401 302 F N 3.628 123.663 119.950 0.142 0.000 2.313 302 F HA 0.188 4.715 4.527 -0.000 0.000 0.369 302 F C 0.576 176.493 175.800 0.194 0.000 1.109 302 F CA -0.572 57.515 58.000 0.144 0.000 1.132 302 F CB 1.420 40.469 39.000 0.082 0.000 1.291 302 F HN 0.365 nan 8.300 nan 0.000 0.496 303 Q N 4.559 124.514 119.800 0.259 0.000 2.256 303 Q HA 0.358 4.698 4.340 -0.000 0.000 0.254 303 Q C -1.725 174.419 176.000 0.239 0.000 0.916 303 Q CA -0.485 55.428 55.803 0.184 0.000 0.932 303 Q CB 1.253 30.096 28.738 0.176 0.000 1.207 303 Q HN 0.610 nan 8.270 nan 0.000 0.426 304 F N 3.187 123.180 119.950 0.070 0.000 2.569 304 F HA 0.486 5.013 4.527 -0.000 0.000 0.312 304 F C -1.242 174.643 175.800 0.142 0.000 1.109 304 F CA -0.810 57.226 58.000 0.060 0.000 0.919 304 F CB 1.639 40.723 39.000 0.139 0.000 1.211 304 F HN 0.507 nan 8.300 nan 0.000 0.446 305 R N 6.070 126.234 120.500 -0.560 0.000 2.439 305 R HA 0.397 4.737 4.340 -0.000 0.000 0.310 305 R C -1.097 174.732 176.300 -0.784 0.000 0.955 305 R CA -0.797 55.084 56.100 -0.365 0.000 0.853 305 R CB 1.296 31.485 30.300 -0.186 0.000 1.171 305 R HN 0.794 nan 8.270 nan 0.000 0.449 306 K N 3.019 123.181 120.400 -0.397 0.000 2.118 306 K HA 0.199 4.518 4.320 -0.000 0.000 0.264 306 K C -0.842 175.670 176.600 -0.148 0.000 1.000 306 K CA -0.745 55.358 56.287 -0.306 0.000 0.929 306 K CB 0.909 33.507 32.500 0.163 0.000 1.021 306 K HN 0.335 nan 8.250 nan 0.000 0.463 307 D N 1.725 121.994 120.400 -0.218 0.000 2.525 307 D HA -0.051 4.589 4.640 -0.000 0.000 0.235 307 D C -0.027 176.118 176.300 -0.258 0.000 1.137 307 D CA 0.696 54.426 54.000 -0.450 0.000 0.868 307 D CB -0.293 40.020 40.800 -0.812 0.000 1.180 307 D HN 0.635 nan 8.370 nan 0.000 0.465 308 F N -1.054 118.926 119.950 0.050 0.000 2.840 308 F HA -0.256 4.270 4.527 -0.000 0.000 0.310 308 F C 0.653 176.480 175.800 0.045 0.000 0.688 308 F CA 0.684 58.711 58.000 0.045 0.000 1.286 308 F CB -2.038 36.989 39.000 0.046 0.000 1.612 308 F HN 0.242 nan 8.300 nan 0.000 0.335 309 S N 0.387 116.175 115.700 0.147 0.000 2.541 309 S HA 0.720 5.189 4.470 -0.000 0.000 0.280 309 S C -1.543 173.073 174.600 0.027 0.000 1.112 309 S CA -0.803 57.463 58.200 0.111 0.000 0.925 309 S CB 2.409 65.705 63.200 0.161 0.000 1.067 309 S HN -0.116 nan 8.310 nan 0.000 0.479 310 P HA 0.194 nan 4.420 nan 0.000 0.240 310 P C 0.214 177.428 177.300 -0.142 0.000 1.190 310 P CA -0.056 63.003 63.100 -0.069 0.000 0.781 310 P CB -0.033 31.632 31.700 -0.060 0.000 0.931 311 I N 2.048 122.525 120.570 -0.155 0.000 2.752 311 I HA -0.034 4.136 4.170 -0.000 0.000 0.289 311 I C 1.053 176.881 176.117 -0.482 0.000 1.197 311 I CA -0.143 60.958 61.300 -0.332 0.000 1.432 311 I CB -0.203 37.586 38.000 -0.352 0.000 1.359 311 I HN -0.064 nan 8.210 nan 0.000 0.571 312 I N 8.098 128.343 120.570 -0.541 0.000 2.312 312 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 312 I C -0.171 175.552 176.117 -0.656 0.000 1.008 312 I CA -0.596 60.412 61.300 -0.486 0.000 1.226 312 I CB 0.246 38.052 38.000 -0.324 0.000 1.371 312 I HN 0.326 nan 8.210 nan 0.000 0.468 313 Y N 4.847 125.015 120.300 -0.221 0.000 2.310 313 Y HA 0.379 4.929 4.550 -0.000 0.000 0.326 313 Y C 0.579 176.198 175.900 -0.468 0.000 1.151 313 Y CA -0.298 57.680 58.100 -0.203 0.000 1.195 313 Y CB 0.973 39.492 38.460 0.098 0.000 1.210 313 Y HN 0.386 nan 8.280 nan 0.000 0.483 314 H N 3.291 122.346 119.070 -0.025 0.000 2.800 314 H HA 0.236 4.791 4.556 -0.000 0.000 0.322 314 H C -1.526 173.708 175.328 -0.158 0.000 0.979 314 H CA -0.870 55.116 56.048 -0.103 0.000 1.277 314 H CB 0.828 30.460 29.762 -0.217 0.000 1.484 314 H HN 0.690 nan 8.280 nan 0.000 0.512 315 Y N 2.331 122.646 120.300 0.025 0.000 2.330 315 Y HA 0.298 4.847 4.550 -0.000 0.000 0.336 315 Y C -0.455 175.362 175.900 -0.138 0.000 1.036 315 Y CA -0.555 57.584 58.100 0.065 0.000 1.125 315 Y CB 1.165 39.808 38.460 0.305 0.000 1.194 315 Y HN 0.471 nan 8.280 nan 0.000 0.469 316 Y N 2.338 122.791 120.300 0.255 0.000 2.477 316 Y HA 0.709 5.259 4.550 -0.000 0.000 0.347 316 Y C -0.260 175.687 175.900 0.078 0.000 0.981 316 Y CA -1.349 56.879 58.100 0.213 0.000 1.033 316 Y CB 2.153 40.670 38.460 0.096 0.000 1.245 316 Y HN 0.571 nan 8.280 nan 0.000 0.455 317 R N 0.691 121.404 120.500 0.355 0.000 2.733 317 R HA 0.924 5.264 4.340 -0.000 0.000 0.272 317 R C -1.454 175.041 176.300 0.323 0.000 1.029 317 R CA -1.305 54.954 56.100 0.265 0.000 0.888 317 R CB 0.969 31.243 30.300 -0.044 0.000 1.251 317 R HN 0.681 nan 8.270 nan 0.000 0.464 318 A N 1.311 124.237 122.820 0.177 0.000 2.448 318 A HA 0.433 4.753 4.320 -0.000 0.000 0.239 318 A C -2.038 175.478 177.584 -0.114 0.000 1.080 318 A CA -0.985 51.040 52.037 -0.021 0.000 0.779 318 A CB -0.604 18.354 19.000 -0.070 0.000 1.026 318 A HN 0.567 nan 8.150 nan 0.000 0.499 319 P HA 0.197 nan 4.420 nan 0.000 0.269 319 P C -0.769 176.467 177.300 -0.106 0.000 1.217 319 P CA 0.161 63.250 63.100 -0.018 0.000 0.783 319 P CB 0.143 31.875 31.700 0.053 0.000 0.898 320 F N 0.118 120.185 119.950 0.194 0.000 2.412 320 F HA 0.134 4.661 4.527 -0.000 0.000 0.348 320 F C 1.648 177.510 175.800 0.104 0.000 1.102 320 F CA -0.057 58.028 58.000 0.142 0.000 1.196 320 F CB 0.498 39.596 39.000 0.164 0.000 1.144 320 F HN 0.088 nan 8.300 nan 0.000 0.541 321 V N 0.237 120.293 119.914 0.236 0.000 3.621 321 V HA 0.431 4.551 4.120 -0.000 0.000 0.263 321 V C 0.445 176.619 176.094 0.134 0.000 1.272 321 V CA 0.136 62.522 62.300 0.144 0.000 1.080 321 V CB -0.285 31.581 31.823 0.073 0.000 0.816 321 V HN 0.768 nan 8.190 nan 0.000 0.451 322 R N -0.382 120.218 120.500 0.165 0.000 2.846 322 R HA 0.504 4.844 4.340 -0.000 0.000 0.263 322 R C -1.400 174.973 176.300 0.122 0.000 1.080 322 R CA -1.005 55.168 56.100 0.122 0.000 0.961 322 R CB 0.282 30.642 30.300 0.100 0.000 1.231 322 R HN 0.050 nan 8.270 nan 0.000 0.465 323 D N 1.278 121.719 120.400 0.068 0.000 2.443 323 D HA 0.037 4.677 4.640 -0.000 0.000 0.239 323 D C -0.656 175.638 176.300 -0.008 0.000 1.136 323 D CA 0.917 54.905 54.000 -0.019 0.000 0.879 323 D CB 0.504 41.274 40.800 -0.050 0.000 1.195 323 D HN 0.320 nan 8.370 nan 0.000 0.443 324 D N 2.315 122.625 120.400 -0.150 0.000 2.389 324 D HA 0.130 4.770 4.640 -0.000 0.000 0.256 324 D C 0.261 176.253 176.300 -0.513 0.000 1.239 324 D CA -0.429 53.506 54.000 -0.108 0.000 0.925 324 D CB 0.396 41.295 40.800 0.166 0.000 1.145 324 D HN 0.213 nan 8.370 nan 0.000 0.542 325 L N 1.783 122.207 121.223 -1.331 0.000 2.612 325 L HA 0.245 4.585 4.340 -0.000 0.000 0.230 325 L C 0.691 176.823 176.870 -1.231 0.000 1.140 325 L CA -0.062 53.969 54.840 -1.348 0.000 0.896 325 L CB 0.139 41.288 42.059 -1.516 0.000 1.065 325 L HN 0.416 nan 8.230 nan 0.000 0.447 326 W N 0.356 121.625 121.300 -0.052 0.000 2.407 326 W HA 0.447 5.107 4.660 -0.000 0.000 0.370 326 W C 0.566 177.038 176.519 -0.077 0.000 0.928 326 W CA -0.866 56.450 57.345 -0.047 0.000 2.005 326 W CB -0.052 29.404 29.460 -0.008 0.000 1.171 326 W HN -0.047 nan 8.180 nan 0.000 0.572 327 A N 2.305 125.134 122.820 0.016 0.000 2.477 327 A HA 0.500 4.820 4.320 -0.000 0.000 0.246 327 A C 0.331 177.825 177.584 -0.150 0.000 1.078 327 A CA 0.417 52.426 52.037 -0.048 0.000 0.770 327 A CB 0.383 19.409 19.000 0.044 0.000 1.011 327 A HN 0.084 nan 8.150 nan 0.000 0.494 328 R N 1.179 121.480 120.500 -0.331 0.000 2.561 328 R HA 0.491 4.831 4.340 -0.000 0.000 0.297 328 R C -1.929 173.935 176.300 -0.727 0.000 0.969 328 R CA -0.418 55.484 56.100 -0.330 0.000 0.879 328 R CB 1.285 31.483 30.300 -0.170 0.000 1.178 328 R HN 0.607 nan 8.270 nan 0.000 0.445 329 F N 3.165 122.733 119.950 -0.637 0.000 2.382 329 F HA 0.417 4.944 4.527 -0.000 0.000 0.361 329 F C 0.523 175.970 175.800 -0.587 0.000 1.109 329 F CA -0.628 56.801 58.000 -0.951 0.000 1.031 329 F CB 0.981 38.706 39.000 -2.126 0.000 1.234 329 F HN 0.123 nan 8.300 nan 0.000 0.445 330 L N 4.212 125.356 121.223 -0.131 0.000 2.416 330 L HA 0.496 4.836 4.340 -0.000 0.000 0.272 330 L C -0.224 176.706 176.870 0.100 0.000 1.161 330 L CA -0.486 54.366 54.840 0.019 0.000 0.845 330 L CB 0.651 42.746 42.059 0.059 0.000 1.119 330 L HN 0.281 nan 8.230 nan 0.000 0.464 331 V N 1.643 121.627 119.914 0.117 0.000 2.769 331 V HA 0.305 4.424 4.120 -0.000 0.000 0.312 331 V C -0.026 176.167 176.094 0.166 0.000 1.061 331 V CA -0.672 61.699 62.300 0.118 0.000 0.931 331 V CB 2.005 33.927 31.823 0.165 0.000 1.010 331 V HN 0.755 nan 8.190 nan 0.000 0.433 332 S N 3.399 119.189 115.700 0.151 0.000 2.489 332 S HA 0.603 5.073 4.470 -0.000 0.000 0.277 332 S C -0.524 174.193 174.600 0.195 0.000 1.230 332 S CA -0.468 57.860 58.200 0.213 0.000 1.053 332 S CB -0.066 63.270 63.200 0.226 0.000 0.955 332 S HN 0.619 nan 8.310 nan 0.000 0.488 333 K N 3.839 124.357 120.400 0.195 0.000 2.551 333 K HA 0.481 4.801 4.320 -0.000 0.000 0.269 333 K C -3.073 173.610 176.600 0.137 0.000 0.949 333 K CA -2.187 54.195 56.287 0.159 0.000 0.849 333 K CB 1.180 33.767 32.500 0.145 0.000 1.411 333 K HN 0.265 nan 8.250 nan 0.000 0.432 334 P HA 0.106 nan 4.420 nan 0.000 0.270 334 P C -1.566 175.785 177.300 0.085 0.000 1.223 334 P CA -0.783 62.371 63.100 0.091 0.000 0.785 334 P CB 0.284 32.026 31.700 0.071 0.000 0.923 335 P HA 0.024 nan 4.420 nan 0.000 0.231 335 P C 0.181 177.541 177.300 0.100 0.000 1.168 335 P CA 0.846 63.995 63.100 0.081 0.000 0.779 335 P CB 0.318 32.064 31.700 0.077 0.000 0.844 336 L N 1.446 122.739 121.223 0.116 0.000 2.589 336 L HA 0.371 4.711 4.340 -0.000 0.000 0.244 336 L C -0.384 176.613 176.870 0.212 0.000 1.159 336 L CA -0.527 54.410 54.840 0.162 0.000 1.074 336 L CB -0.646 41.498 42.059 0.142 0.000 1.391 336 L HN -0.294 nan 8.230 nan 0.000 0.423 337 D N 1.541 122.036 120.400 0.158 0.000 2.558 337 D HA 0.020 4.660 4.640 -0.000 0.000 0.221 337 D C 1.599 177.977 176.300 0.130 0.000 1.143 337 D CA 0.131 54.224 54.000 0.155 0.000 1.010 337 D CB 0.689 41.556 40.800 0.111 0.000 1.068 337 D HN 0.402 nan 8.370 nan 0.000 0.511 338 V N 0.990 121.020 119.914 0.193 0.000 2.594 338 V HA -0.172 3.948 4.120 -0.000 0.000 0.253 338 V C 1.895 177.966 176.094 -0.038 0.000 1.069 338 V CA 1.644 64.009 62.300 0.107 0.000 1.082 338 V CB -0.601 31.371 31.823 0.248 0.000 0.680 338 V HN 0.372 nan 8.190 nan 0.000 0.469 339 E N 0.570 120.826 120.200 0.093 0.000 2.267 339 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 339 E C 1.989 178.546 176.600 -0.072 0.000 0.998 339 E CA 1.259 57.691 56.400 0.053 0.000 0.830 339 E CB -0.333 29.510 29.700 0.239 0.000 0.751 339 E HN 0.757 nan 8.360 nan 0.000 0.491 340 L N 0.418 121.608 121.223 -0.056 0.000 2.187 340 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 340 L C 2.176 178.946 176.870 -0.165 0.000 1.100 340 L CA 0.689 55.486 54.840 -0.073 0.000 0.765 340 L CB -0.393 41.638 42.059 -0.047 0.000 0.904 340 L HN 0.295 nan 8.230 nan 0.000 0.437 341 L N 0.134 121.181 121.223 -0.293 0.000 2.549 341 L HA -0.145 4.194 4.340 -0.000 0.000 0.229 341 L C 1.848 178.486 176.870 -0.386 0.000 1.158 341 L CA 0.541 55.131 54.840 -0.417 0.000 0.842 341 L CB -0.314 41.273 42.059 -0.787 0.000 0.952 341 L HN 0.416 nan 8.230 nan 0.000 0.452 342 I N -5.313 115.024 120.570 -0.389 0.000 4.082 342 I HA 0.052 4.222 4.170 -0.000 0.000 0.337 342 I C 1.720 177.707 176.117 -0.216 0.000 1.352 342 I CA 0.378 61.388 61.300 -0.482 0.000 1.097 342 I CB -0.465 37.129 38.000 -0.677 0.000 1.048 342 I HN -0.038 nan 8.210 nan 0.000 0.393 343 L N 1.284 122.428 121.223 -0.131 0.000 2.013 343 L HA -0.114 4.225 4.340 -0.000 0.000 0.212 343 L C -0.018 176.841 176.870 -0.019 0.000 1.073 343 L CA 2.188 56.997 54.840 -0.053 0.000 0.753 343 L CB -1.646 40.393 42.059 -0.034 0.000 0.890 343 L HN 0.242 nan 8.230 nan 0.000 0.432 344 P HA -0.205 nan 4.420 nan 0.000 0.214 344 P C 1.170 178.499 177.300 0.049 0.000 1.169 344 P CA 1.430 64.544 63.100 0.024 0.000 0.908 344 P CB 0.051 31.773 31.700 0.036 0.000 0.791 345 E N -0.892 119.357 120.200 0.081 0.000 2.110 345 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 345 E C 2.133 178.786 176.600 0.087 0.000 0.988 345 E CA 0.903 57.378 56.400 0.126 0.000 0.804 345 E CB -0.670 29.192 29.700 0.271 0.000 0.745 345 E HN 0.186 nan 8.360 nan 0.000 0.458 346 R N 0.592 121.117 120.500 0.041 0.000 2.152 346 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 346 R C 1.417 177.740 176.300 0.037 0.000 1.117 346 R CA 0.974 57.097 56.100 0.037 0.000 0.981 346 R CB -0.125 30.182 30.300 0.011 0.000 0.870 346 R HN 0.226 nan 8.270 nan 0.000 0.451 347 L N 1.123 122.365 121.223 0.032 0.000 2.591 347 L HA 0.121 4.461 4.340 -0.000 0.000 0.228 347 L C 0.784 177.675 176.870 0.034 0.000 1.133 347 L CA -0.205 54.652 54.840 0.028 0.000 0.880 347 L CB 0.209 42.281 42.059 0.022 0.000 1.033 347 L HN 0.154 nan 8.230 nan 0.000 0.450 348 S N -1.234 114.493 115.700 0.045 0.000 2.651 348 S HA 0.393 4.863 4.470 -0.000 0.000 0.291 348 S C -1.548 173.079 174.600 0.045 0.000 1.141 348 S CA -1.341 56.885 58.200 0.044 0.000 1.027 348 S CB 1.418 64.649 63.200 0.051 0.000 1.043 348 S HN -0.166 nan 8.310 nan 0.000 0.530 349 P HA -0.172 nan 4.420 nan 0.000 0.217 349 P C 1.382 178.708 177.300 0.044 0.000 1.151 349 P CA 2.030 65.152 63.100 0.037 0.000 0.849 349 P CB -0.395 31.323 31.700 0.030 0.000 0.787 350 A N 0.118 122.968 122.820 0.049 0.000 2.121 350 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 350 A C 2.384 180.010 177.584 0.069 0.000 1.154 350 A CA 1.475 53.545 52.037 0.055 0.000 0.679 350 A CB -1.253 17.782 19.000 0.058 0.000 0.795 350 A HN 0.231 nan 8.150 nan 0.000 0.458 351 A N 0.285 123.149 122.820 0.074 0.000 2.070 351 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 351 A C 2.000 179.637 177.584 0.088 0.000 1.159 351 A CA 1.573 53.662 52.037 0.088 0.000 0.656 351 A CB -0.327 18.719 19.000 0.076 0.000 0.800 351 A HN 0.559 nan 8.150 nan 0.000 0.453 352 K N -0.245 120.199 120.400 0.072 0.000 2.296 352 K HA -0.047 4.272 4.320 -0.000 0.000 0.200 352 K C 1.033 177.675 176.600 0.069 0.000 1.048 352 K CA 1.110 57.441 56.287 0.073 0.000 0.966 352 K CB 0.014 32.547 32.500 0.056 0.000 0.754 352 K HN 0.633 nan 8.250 nan 0.000 0.466 353 E N 0.865 121.103 120.200 0.062 0.000 2.472 353 E HA -0.013 4.336 4.350 -0.000 0.000 0.196 353 E C 0.437 177.071 176.600 0.058 0.000 1.033 353 E CA 0.358 56.788 56.400 0.051 0.000 0.886 353 E CB 0.640 30.364 29.700 0.040 0.000 0.944 353 E HN 0.258 nan 8.360 nan 0.000 0.492 354 T N -2.256 112.347 114.554 0.081 0.000 2.883 354 T HA 0.529 4.879 4.350 -0.000 0.000 0.296 354 T C -0.098 174.675 174.700 0.121 0.000 1.117 354 T CA -0.858 61.297 62.100 0.091 0.000 1.006 354 T CB 2.142 71.069 68.868 0.100 0.000 1.191 354 T HN -0.208 nan 8.240 nan 0.000 0.508 355 S N -0.652 115.122 115.700 0.124 0.000 2.690 355 S HA 0.840 5.310 4.470 -0.000 0.000 0.291 355 S C 0.102 174.817 174.600 0.191 0.000 1.138 355 S CA -0.733 57.559 58.200 0.155 0.000 1.013 355 S CB 1.337 64.611 63.200 0.124 0.000 1.053 355 S HN 1.209 nan 8.310 nan 0.000 0.539 356 G N 1.061 109.985 108.800 0.207 0.000 2.737 356 G HA2 0.603 4.563 3.960 -0.000 0.000 0.290 356 G HA3 0.603 4.563 3.960 -0.000 0.000 0.290 356 G C -1.487 173.532 174.900 0.197 0.000 1.482 356 G CA -0.462 44.783 45.100 0.242 0.000 1.017 356 G HN 0.372 nan 8.290 nan 0.000 0.529 357 L N 1.591 122.917 121.223 0.171 0.000 2.319 357 L HA 0.760 5.100 4.340 -0.000 0.000 0.267 357 L C -0.483 176.364 176.870 -0.038 0.000 1.011 357 L CA -1.328 53.545 54.840 0.055 0.000 0.818 357 L CB 2.037 44.099 42.059 0.004 0.000 1.316 357 L HN 0.441 nan 8.230 nan 0.000 0.432 358 L N 2.194 123.272 121.223 -0.242 0.000 2.356 358 L HA 0.641 4.981 4.340 -0.000 0.000 0.277 358 L C -1.420 175.176 176.870 -0.458 0.000 0.996 358 L CA -0.263 54.257 54.840 -0.533 0.000 0.822 358 L CB 1.349 42.869 42.059 -0.898 0.000 1.256 358 L HN 0.428 nan 8.230 nan 0.000 0.413 359 L N 6.504 127.480 121.223 -0.411 0.000 2.282 359 L HA 0.564 4.904 4.340 -0.000 0.000 0.288 359 L C -0.578 176.051 176.870 -0.401 0.000 1.033 359 L CA -0.454 54.125 54.840 -0.434 0.000 0.807 359 L CB 1.440 43.381 42.059 -0.197 0.000 1.209 359 L HN 0.560 nan 8.230 nan 0.000 0.423 360 I N 3.796 124.064 120.570 -0.503 0.000 2.433 360 I HA 0.524 4.693 4.170 -0.000 0.000 0.292 360 I C -0.285 175.613 176.117 -0.365 0.000 1.001 360 I CA -0.543 60.500 61.300 -0.428 0.000 1.119 360 I CB 2.136 39.822 38.000 -0.523 0.000 1.289 360 I HN 0.599 nan 8.210 nan 0.000 0.438 361 R N 4.816 125.161 120.500 -0.258 0.000 2.510 361 R HA 0.346 4.686 4.340 -0.000 0.000 0.287 361 R C -1.599 174.609 176.300 -0.154 0.000 1.084 361 R CA -0.653 55.352 56.100 -0.158 0.000 0.934 361 R CB 1.290 31.646 30.300 0.094 0.000 1.201 361 R HN 0.432 nan 8.270 nan 0.000 0.431 362 Y N 3.927 124.212 120.300 -0.025 0.000 2.851 362 Y HA 0.234 4.784 4.550 -0.000 0.000 0.369 362 Y C 0.037 175.911 175.900 -0.042 0.000 1.226 362 Y CA -0.147 57.918 58.100 -0.058 0.000 1.949 362 Y CB -0.108 38.293 38.460 -0.098 0.000 2.059 362 Y HN 0.342 nan 8.280 nan 0.000 0.420 363 K N 0.679 121.151 120.400 0.119 0.000 2.545 363 K HA 0.176 4.496 4.320 -0.000 0.000 0.291 363 K C -1.262 175.387 176.600 0.082 0.000 1.093 363 K CA -0.508 55.827 56.287 0.081 0.000 1.012 363 K CB 0.750 33.283 32.500 0.054 0.000 1.354 363 K HN 0.103 nan 8.250 nan 0.000 0.460 364 E N 3.207 123.473 120.200 0.110 0.000 2.708 364 E HA -0.102 4.248 4.350 -0.000 0.000 0.260 364 E C -0.331 176.312 176.600 0.071 0.000 0.937 364 E CA 1.126 57.599 56.400 0.121 0.000 0.953 364 E CB 0.298 30.090 29.700 0.152 0.000 0.915 364 E HN 0.408 nan 8.360 nan 0.000 0.487 365 M N 4.011 123.652 119.600 0.067 0.000 2.077 365 M HA 0.245 4.725 4.480 -0.000 0.000 0.348 365 M C -0.670 175.647 176.300 0.030 0.000 1.252 365 M CA -0.324 54.991 55.300 0.026 0.000 1.096 365 M CB 0.615 33.230 32.600 0.024 0.000 1.568 365 M HN 0.195 nan 8.290 nan 0.000 0.456 366 I N 2.399 122.977 120.570 0.012 0.000 2.339 366 I HA 0.304 4.473 4.170 -0.000 0.000 0.290 366 I C 1.071 177.190 176.117 0.004 0.000 0.994 366 I CA 0.018 61.328 61.300 0.016 0.000 1.191 366 I CB 1.227 39.232 38.000 0.009 0.000 1.343 366 I HN 0.828 nan 8.210 nan 0.000 0.458 367 G N 4.865 113.673 108.800 0.013 0.000 2.939 367 G HA2 0.010 3.970 3.960 -0.000 0.000 0.216 367 G HA3 0.010 3.970 3.960 -0.000 0.000 0.216 367 G C 0.468 175.392 174.900 0.040 0.000 1.125 367 G CA -0.089 45.018 45.100 0.012 0.000 0.766 367 G HN 0.621 nan 8.290 nan 0.000 0.541 368 E N 0.396 120.622 120.200 0.043 0.000 2.146 368 E HA 0.306 4.656 4.350 -0.000 0.000 0.282 368 E C -1.220 175.421 176.600 0.069 0.000 0.989 368 E CA -1.005 55.433 56.400 0.063 0.000 0.799 368 E CB 0.731 30.459 29.700 0.047 0.000 1.088 368 E HN 0.179 nan 8.360 nan 0.000 0.397 369 Y N 4.426 124.733 120.300 0.011 0.000 2.359 369 Y HA 0.172 4.722 4.550 -0.000 0.000 0.330 369 Y C -0.439 175.470 175.900 0.016 0.000 1.143 369 Y CA 0.465 58.572 58.100 0.011 0.000 1.318 369 Y CB 0.808 39.273 38.460 0.008 0.000 1.234 369 Y HN 0.507 nan 8.280 nan 0.000 0.522 370 D N 5.136 125.036 120.400 -0.833 0.000 2.977 370 D HA 0.081 4.721 4.640 -0.000 0.000 0.220 370 D C 0.149 176.086 176.300 -0.605 0.000 1.267 370 D CA -0.334 53.373 54.000 -0.488 0.000 0.884 370 D CB 1.705 42.382 40.800 -0.205 0.000 1.667 370 D HN 0.700 nan 8.370 nan 0.000 0.536 371 E N 1.971 122.014 120.200 -0.262 0.000 2.035 371 E HA -0.227 4.123 4.350 -0.000 0.000 0.204 371 E C 1.355 177.895 176.600 -0.101 0.000 1.025 371 E CA 1.448 57.787 56.400 -0.102 0.000 0.835 371 E CB 0.177 29.889 29.700 0.019 0.000 0.764 371 E HN 0.575 nan 8.360 nan 0.000 0.457 372 E N 0.568 120.727 120.200 -0.069 0.000 2.035 372 E HA -0.204 4.146 4.350 -0.000 0.000 0.204 372 E C 2.385 178.962 176.600 -0.038 0.000 1.025 372 E CA 1.087 57.467 56.400 -0.033 0.000 0.835 372 E CB -0.667 29.023 29.700 -0.016 0.000 0.764 372 E HN 0.359 nan 8.360 nan 0.000 0.457 373 I N -0.143 120.386 120.570 -0.069 0.000 2.423 373 I HA -0.236 3.933 4.170 -0.000 0.000 0.254 373 I C 1.965 178.037 176.117 -0.076 0.000 1.151 373 I CA 1.129 62.396 61.300 -0.056 0.000 1.421 373 I CB -0.353 37.605 38.000 -0.071 0.000 1.079 373 I HN 0.347 nan 8.210 nan 0.000 0.431 374 G N -0.124 108.594 108.800 -0.137 0.000 4.244 374 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.222 374 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.222 374 G C 0.383 175.209 174.900 -0.122 0.000 1.665 374 G CA -0.248 44.798 45.100 -0.091 0.000 1.315 374 G HN 0.670 nan 8.290 nan 0.000 0.637 375 G N -1.065 107.682 108.800 -0.088 0.000 3.058 375 G HA2 0.837 4.796 3.960 -0.000 0.000 0.282 375 G HA3 0.837 4.796 3.960 -0.000 0.000 0.282 375 G C -0.666 174.232 174.900 -0.003 0.000 1.248 375 G CA 0.851 45.959 45.100 0.014 0.000 0.822 375 G HN 1.838 nan 8.290 nan 0.000 0.579 376 V N -2.091 117.867 119.914 0.073 0.000 2.864 376 V HA 0.679 4.799 4.120 -0.000 0.000 0.314 376 V C -1.098 174.994 176.094 -0.003 0.000 1.073 376 V CA -1.093 61.229 62.300 0.037 0.000 0.956 376 V CB 1.988 33.858 31.823 0.078 0.000 1.023 376 V HN 0.595 nan 8.190 nan 0.000 0.435 377 D N 1.605 121.983 120.400 -0.036 0.000 2.340 377 D HA 0.487 5.127 4.640 -0.000 0.000 0.251 377 D C -0.558 175.676 176.300 -0.111 0.000 1.080 377 D CA -0.194 53.758 54.000 -0.079 0.000 0.971 377 D CB 1.816 42.557 40.800 -0.098 0.000 1.137 377 D HN 0.774 nan 8.370 nan 0.000 0.475 378 E N 0.223 120.325 120.200 -0.162 0.000 2.224 378 E HA 0.433 4.783 4.350 -0.000 0.000 0.265 378 E C -1.174 175.197 176.600 -0.381 0.000 0.878 378 E CA -0.774 55.446 56.400 -0.301 0.000 0.759 378 E CB 2.575 32.146 29.700 -0.215 0.000 1.164 378 E HN 0.025 nan 8.360 nan 0.000 0.414 379 V N 3.862 123.497 119.914 -0.465 0.000 2.380 379 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 379 V C -1.340 174.564 176.094 -0.316 0.000 1.015 379 V CA -0.801 61.320 62.300 -0.298 0.000 0.834 379 V CB 0.178 31.917 31.823 -0.141 0.000 1.009 379 V HN 0.589 nan 8.190 nan 0.000 0.428 380 Y N 3.300 123.599 120.300 -0.002 0.000 2.335 380 Y HA 0.588 5.138 4.550 -0.000 0.000 0.339 380 Y C 0.178 176.102 175.900 0.040 0.000 0.987 380 Y CA -0.800 57.308 58.100 0.014 0.000 1.140 380 Y CB 1.839 40.299 38.460 0.000 0.000 1.173 380 Y HN 0.351 nan 8.280 nan 0.000 0.486 381 V N 4.397 124.416 119.914 0.174 0.000 2.350 381 V HA 0.216 4.336 4.120 -0.000 0.000 0.285 381 V C -0.221 175.934 176.094 0.101 0.000 1.014 381 V CA -1.139 61.232 62.300 0.118 0.000 0.831 381 V CB 0.946 32.816 31.823 0.078 0.000 1.000 381 V HN 0.914 nan 8.190 nan 0.000 0.433 382 N N 4.318 123.065 118.700 0.079 0.000 2.721 382 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 382 N C 1.214 176.757 175.510 0.055 0.000 1.072 382 N CA 1.743 54.822 53.050 0.048 0.000 0.710 382 N CB -1.061 37.445 38.487 0.032 0.000 0.993 382 N HN 1.432 nan 8.380 nan 0.000 0.547 383 G N -3.251 105.600 108.800 0.084 0.000 2.217 383 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.246 383 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.246 383 G C -0.010 175.007 174.900 0.194 0.000 0.990 383 G CA 0.254 45.391 45.100 0.063 0.000 0.627 383 G HN 0.510 nan 8.290 nan 0.000 0.522 384 V N 1.548 121.584 119.914 0.204 0.000 2.394 384 V HA 0.519 4.639 4.120 -0.000 0.000 0.282 384 V C 0.401 176.592 176.094 0.162 0.000 1.031 384 V CA -0.860 61.549 62.300 0.183 0.000 0.881 384 V CB 1.601 33.474 31.823 0.083 0.000 0.982 384 V HN 0.386 nan 8.190 nan 0.000 0.451 385 N N 3.944 122.690 118.700 0.076 0.000 2.405 385 N HA 0.088 4.827 4.740 -0.000 0.000 0.260 385 N C 0.525 175.955 175.510 -0.134 0.000 1.152 385 N CA -0.128 52.760 53.050 -0.270 0.000 0.948 385 N CB 1.525 39.788 38.487 -0.375 0.000 1.111 385 N HN 0.547 nan 8.380 nan 0.000 0.485 386 V N 1.138 120.977 119.914 -0.125 0.000 3.596 386 V HA 0.236 4.356 4.120 -0.000 0.000 0.289 386 V C 0.865 176.920 176.094 -0.064 0.000 1.336 386 V CA -0.389 61.875 62.300 -0.060 0.000 1.137 386 V CB -0.646 31.164 31.823 -0.021 0.000 0.966 386 V HN 0.650 nan 8.190 nan 0.000 0.428 387 C N 3.861 123.094 119.300 -0.112 0.000 2.379 387 C HA 0.627 5.087 4.460 -0.000 0.000 0.476 387 C C 1.237 176.188 174.990 -0.065 0.000 1.068 387 C CA 0.301 59.270 59.018 -0.081 0.000 1.406 387 C CB -1.948 25.725 27.740 -0.111 0.000 1.496 387 C HN 0.804 nan 8.230 nan 0.000 0.551 388 T N -0.764 113.769 114.554 -0.035 0.000 2.862 388 T HA 0.256 4.606 4.350 -0.000 0.000 0.276 388 T C 1.085 175.787 174.700 0.005 0.000 0.974 388 T CA -0.263 61.827 62.100 -0.017 0.000 0.966 388 T CB 0.945 69.808 68.868 -0.009 0.000 1.072 388 T HN 0.630 nan 8.240 nan 0.000 0.538 389 E N -0.394 119.815 120.200 0.016 0.000 2.204 389 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 389 E C 2.210 178.828 176.600 0.030 0.000 0.989 389 E CA 0.575 56.992 56.400 0.029 0.000 0.824 389 E CB 0.027 29.749 29.700 0.036 0.000 0.756 389 E HN 0.645 nan 8.360 nan 0.000 0.477 390 R N 0.043 120.558 120.500 0.025 0.000 2.112 390 R HA 0.042 4.382 4.340 -0.000 0.000 0.216 390 R C 2.151 178.471 176.300 0.033 0.000 1.080 390 R CA 0.586 56.703 56.100 0.028 0.000 0.996 390 R CB 0.051 30.365 30.300 0.023 0.000 0.902 390 R HN 0.198 nan 8.270 nan 0.000 0.449 391 I N -0.125 120.461 120.570 0.027 0.000 2.480 391 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 391 I C 0.613 176.756 176.117 0.044 0.000 1.124 391 I CA 0.460 61.781 61.300 0.034 0.000 1.444 391 I CB 0.417 38.428 38.000 0.018 0.000 1.098 391 I HN 0.149 nan 8.210 nan 0.000 0.428 392 C N 2.628 121.949 119.300 0.036 0.000 2.792 392 C HA 0.356 4.816 4.460 -0.000 0.000 0.306 392 C C -2.061 172.957 174.990 0.046 0.000 1.462 392 C CA -1.430 57.615 59.018 0.044 0.000 1.640 392 C CB -1.056 26.702 27.740 0.029 0.000 2.434 392 C HN 0.186 nan 8.230 nan 0.000 0.538 393 P HA 0.197 nan 4.420 nan 0.000 0.274 393 P C 1.062 178.395 177.300 0.055 0.000 1.237 393 P CA 0.153 63.282 63.100 0.048 0.000 0.793 393 P CB 1.138 32.866 31.700 0.047 0.000 0.977 394 I N 0.457 121.055 120.570 0.047 0.000 2.151 394 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 394 I C 2.241 178.397 176.117 0.066 0.000 1.080 394 I CA 1.694 63.026 61.300 0.053 0.000 1.339 394 I CB -0.667 37.354 38.000 0.036 0.000 1.039 394 I HN 0.376 nan 8.210 nan 0.000 0.409 395 E N 0.741 120.973 120.200 0.054 0.000 2.171 395 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 395 E C 2.201 178.835 176.600 0.056 0.000 0.997 395 E CA 0.985 57.416 56.400 0.051 0.000 0.810 395 E CB -0.336 29.387 29.700 0.039 0.000 0.738 395 E HN 0.434 nan 8.360 nan 0.000 0.467 396 R N -0.002 120.539 120.500 0.067 0.000 2.189 396 R HA 0.020 4.359 4.340 -0.000 0.000 0.223 396 R C 0.837 177.209 176.300 0.120 0.000 1.092 396 R CA 0.780 56.927 56.100 0.078 0.000 0.989 396 R CB -0.331 30.023 30.300 0.089 0.000 0.876 396 R HN 0.102 nan 8.270 nan 0.000 0.457 397 A N 0.885 123.799 122.820 0.156 0.000 2.466 397 A HA -0.144 4.175 4.320 -0.000 0.000 0.295 397 A C 0.244 178.025 177.584 0.328 0.000 1.465 397 A CA 0.493 52.686 52.037 0.260 0.000 0.744 397 A CB -1.907 17.302 19.000 0.348 0.000 1.098 397 A HN 0.065 nan 8.150 nan 0.000 0.402 398 V N 1.045 121.092 119.914 0.221 0.000 2.446 398 V HA 0.118 4.238 4.120 -0.000 0.000 0.276 398 V C 1.273 177.479 176.094 0.187 0.000 1.030 398 V CA 1.042 63.464 62.300 0.204 0.000 1.033 398 V CB 0.869 32.770 31.823 0.131 0.000 0.993 398 V HN 0.697 nan 8.190 nan 0.000 0.477 399 N N 2.664 121.489 118.700 0.208 0.000 2.317 399 N HA 0.215 4.954 4.740 -0.000 0.000 0.199 399 N C 0.629 176.149 175.510 0.017 0.000 1.145 399 N CA 0.595 53.724 53.050 0.130 0.000 0.882 399 N CB 0.938 39.536 38.487 0.186 0.000 1.113 399 N HN 0.749 nan 8.380 nan 0.000 0.486 400 G N 0.431 109.250 108.800 0.031 0.000 2.644 400 G HA2 0.531 4.491 3.960 -0.000 0.000 0.300 400 G HA3 0.531 4.491 3.960 -0.000 0.000 0.300 400 G C -1.746 173.091 174.900 -0.104 0.000 1.395 400 G CA -0.233 44.790 45.100 -0.129 0.000 0.964 400 G HN 0.051 nan 8.290 nan 0.000 0.511 401 L N 3.087 124.200 121.223 -0.184 0.000 2.316 401 L HA 0.683 5.023 4.340 -0.000 0.000 0.280 401 L C -1.220 175.571 176.870 -0.133 0.000 1.006 401 L CA -1.623 53.169 54.840 -0.080 0.000 0.836 401 L CB 0.542 42.592 42.059 -0.015 0.000 1.221 401 L HN 0.504 nan 8.230 nan 0.000 0.418 402 W N 5.186 126.387 121.300 -0.165 0.000 2.311 402 W HA 0.567 5.227 4.660 -0.000 0.000 0.310 402 W C -0.331 176.226 176.519 0.063 0.000 1.274 402 W CA -0.388 56.901 57.345 -0.093 0.000 1.215 402 W CB 1.175 30.470 29.460 -0.275 0.000 1.227 402 W HN 0.235 nan 8.180 nan 0.000 0.523 403 V N 6.476 126.595 119.914 0.342 0.000 2.407 403 V HA 0.610 4.730 4.120 -0.000 0.000 0.291 403 V C -0.469 175.873 176.094 0.412 0.000 1.018 403 V CA -0.855 61.598 62.300 0.253 0.000 0.842 403 V CB 0.031 31.924 31.823 0.118 0.000 0.996 403 V HN 0.383 nan 8.190 nan 0.000 0.426 404 F N 1.242 121.254 119.950 0.103 0.000 2.807 404 F HA 0.588 5.115 4.527 -0.000 0.000 0.316 404 F C -0.916 174.936 175.800 0.085 0.000 1.162 404 F CA -1.438 56.627 58.000 0.107 0.000 0.910 404 F CB 1.310 40.396 39.000 0.144 0.000 1.314 404 F HN 0.331 nan 8.300 nan 0.000 0.454 405 D N 2.417 122.871 120.400 0.091 0.000 2.455 405 D HA 0.081 4.720 4.640 -0.000 0.000 0.234 405 D C 0.074 176.319 176.300 -0.092 0.000 1.224 405 D CA -0.031 53.948 54.000 -0.035 0.000 0.999 405 D CB 0.229 41.074 40.800 0.074 0.000 1.072 405 D HN 0.650 nan 8.370 nan 0.000 0.514 406 R N 2.426 122.664 120.500 -0.436 0.000 2.502 406 R HA 0.174 4.514 4.340 -0.000 0.000 0.292 406 R C 1.018 177.306 176.300 -0.021 0.000 0.998 406 R CA 1.183 57.120 56.100 -0.271 0.000 1.056 406 R CB -0.206 29.896 30.300 -0.330 0.000 0.939 406 R HN 0.676 nan 8.270 nan 0.000 0.411 407 G N 2.870 111.726 108.800 0.092 0.000 2.179 407 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.260 407 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.260 407 G C 0.550 175.493 174.900 0.071 0.000 0.977 407 G CA 0.415 45.557 45.100 0.070 0.000 0.641 407 G HN 1.582 nan 8.290 nan 0.000 0.533 408 A N -0.292 122.585 122.820 0.095 0.000 2.596 408 A HA -0.059 4.261 4.320 -0.000 0.000 0.300 408 A C 1.331 178.947 177.584 0.054 0.000 1.495 408 A CA 2.324 54.413 52.037 0.087 0.000 0.769 408 A CB -1.557 17.499 19.000 0.095 0.000 1.047 408 A HN 1.882 nan 8.150 nan 0.000 0.436 409 D N -1.703 118.719 120.400 0.038 0.000 2.398 409 D HA 0.383 5.023 4.640 -0.000 0.000 0.210 409 D C 1.293 177.605 176.300 0.021 0.000 1.094 409 D CA 0.747 54.763 54.000 0.026 0.000 0.839 409 D CB -0.594 40.217 40.800 0.018 0.000 0.963 409 D HN 1.668 nan 8.370 nan 0.000 0.506 410 G N 0.568 109.382 108.800 0.024 0.000 2.153 410 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.252 410 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.252 410 G C -0.078 174.828 174.900 0.010 0.000 0.994 410 G CA 0.236 45.348 45.100 0.020 0.000 0.698 410 G HN 0.445 nan 8.290 nan 0.000 0.521 411 K N 0.466 120.868 120.400 0.003 0.000 2.376 411 K HA 0.504 4.823 4.320 -0.000 0.000 0.257 411 K C -0.394 176.196 176.600 -0.016 0.000 0.939 411 K CA -0.574 55.710 56.287 -0.004 0.000 0.809 411 K CB 1.817 34.315 32.500 -0.004 0.000 1.121 411 K HN 0.054 nan 8.250 nan 0.000 0.425 412 S N 2.618 118.310 115.700 -0.014 0.000 3.036 412 S HA 0.081 4.550 4.470 -0.000 0.000 0.301 412 S C -0.510 174.076 174.600 -0.024 0.000 1.205 412 S CA -0.484 57.702 58.200 -0.024 0.000 0.999 412 S CB -0.177 63.016 63.200 -0.013 0.000 1.337 412 S HN 0.392 nan 8.310 nan 0.000 0.515 413 D N 3.404 123.783 120.400 -0.035 0.000 2.639 413 D HA 0.137 4.777 4.640 -0.000 0.000 0.233 413 D C 1.226 177.507 176.300 -0.031 0.000 1.161 413 D CA -0.196 53.789 54.000 -0.026 0.000 1.003 413 D CB 0.538 41.325 40.800 -0.022 0.000 1.034 413 D HN 0.385 nan 8.370 nan 0.000 0.514 414 L N 0.463 121.671 121.223 -0.024 0.000 2.079 414 L HA -0.185 4.154 4.340 -0.000 0.000 0.210 414 L C 1.444 178.307 176.870 -0.013 0.000 1.081 414 L CA 1.244 56.071 54.840 -0.022 0.000 0.752 414 L CB 0.097 42.148 42.059 -0.013 0.000 0.896 414 L HN 0.104 nan 8.230 nan 0.000 0.433 415 D N -0.553 119.844 120.400 -0.006 0.000 2.348 415 D HA -0.081 4.559 4.640 -0.000 0.000 0.216 415 D C 1.020 177.321 176.300 0.003 0.000 0.970 415 D CA 0.631 54.632 54.000 0.001 0.000 0.889 415 D CB -0.017 40.785 40.800 0.003 0.000 0.912 415 D HN 0.170 nan 8.370 nan 0.000 0.524 416 R N 1.646 122.144 120.500 -0.002 0.000 2.204 416 R HA 0.118 4.458 4.340 -0.000 0.000 0.341 416 R C -0.094 176.208 176.300 0.004 0.000 1.035 416 R CA -0.409 55.692 56.100 0.002 0.000 0.887 416 R CB 0.710 31.009 30.300 -0.003 0.000 1.114 416 R HN -0.063 nan 8.270 nan 0.000 0.473 417 E N 2.621 122.832 120.200 0.018 0.000 2.534 417 E HA -0.068 4.281 4.350 -0.000 0.000 0.264 417 E C -0.860 175.767 176.600 0.046 0.000 0.981 417 E CA 0.016 56.437 56.400 0.034 0.000 0.948 417 E CB 0.741 30.468 29.700 0.045 0.000 0.934 417 E HN 0.285 nan 8.360 nan 0.000 0.459 418 V N 6.969 126.928 119.914 0.075 0.000 2.221 418 V HA -0.015 4.105 4.120 -0.000 0.000 0.258 418 V C 1.357 177.561 176.094 0.184 0.000 1.179 418 V CA -0.237 62.139 62.300 0.127 0.000 1.022 418 V CB 0.458 32.379 31.823 0.164 0.000 1.228 418 V HN 0.772 nan 8.190 nan 0.000 0.487 419 V N 5.433 125.413 119.914 0.110 0.000 2.252 419 V HA -0.356 3.764 4.120 -0.000 0.000 0.255 419 V C 2.806 178.941 176.094 0.068 0.000 1.071 419 V CA 3.051 65.400 62.300 0.082 0.000 1.050 419 V CB -0.642 31.209 31.823 0.048 0.000 0.654 419 V HN 1.026 nan 8.190 nan 0.000 0.448 420 R N -0.859 119.653 120.500 0.020 0.000 2.226 420 R HA -0.243 4.097 4.340 -0.000 0.000 0.246 420 R C 1.873 178.043 176.300 -0.216 0.000 1.161 420 R CA 2.545 58.567 56.100 -0.129 0.000 0.997 420 R CB -0.688 29.464 30.300 -0.247 0.000 0.870 420 R HN 0.591 nan 8.270 nan 0.000 0.465 421 Y N 1.308 121.628 120.300 0.034 0.000 2.462 421 Y HA 0.114 4.664 4.550 -0.000 0.000 0.261 421 Y C 2.509 178.453 175.900 0.072 0.000 1.146 421 Y CA 0.578 58.705 58.100 0.046 0.000 1.283 421 Y CB 0.563 39.065 38.460 0.070 0.000 1.090 421 Y HN 0.242 nan 8.280 nan 0.000 0.526 422 S N 0.587 116.395 115.700 0.181 0.000 2.419 422 S HA -0.183 4.286 4.470 -0.000 0.000 0.233 422 S C 1.687 176.349 174.600 0.105 0.000 1.016 422 S CA 1.432 59.713 58.200 0.134 0.000 0.974 422 S CB -1.012 62.245 63.200 0.095 0.000 0.786 422 S HN 0.675 nan 8.310 nan 0.000 0.492 423 I N -2.414 118.209 120.570 0.088 0.000 3.684 423 I HA 0.279 4.449 4.170 -0.000 0.000 0.304 423 I C 0.296 176.484 176.117 0.118 0.000 1.278 423 I CA -0.205 61.142 61.300 0.079 0.000 1.272 423 I CB -0.272 37.760 38.000 0.052 0.000 1.029 423 I HN 0.135 nan 8.210 nan 0.000 0.458 424 M N 4.350 124.045 119.600 0.158 0.000 2.180 424 M HA 0.390 4.870 4.480 -0.000 0.000 0.358 424 M C -2.373 174.058 176.300 0.218 0.000 1.233 424 M CA -2.272 53.164 55.300 0.227 0.000 1.114 424 M CB 0.205 32.980 32.600 0.293 0.000 1.594 424 M HN -0.080 nan 8.290 nan 0.000 0.467 425 P HA 0.097 nan 4.420 nan 0.000 0.271 425 P C -0.446 176.980 177.300 0.210 0.000 1.220 425 P CA -0.000 63.123 63.100 0.039 0.000 0.768 425 P CB 0.252 31.977 31.700 0.040 0.000 0.848 426 F N -1.600 118.493 119.950 0.238 0.000 2.973 426 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 426 F C 0.672 176.590 175.800 0.198 0.000 0.737 426 F CA 0.958 59.090 58.000 0.221 0.000 1.151 426 F CB -2.236 36.916 39.000 0.253 0.000 1.440 426 F HN 0.311 nan 8.300 nan 0.000 0.367 427 M N -1.071 118.727 119.600 0.330 0.000 2.716 427 M HA 0.675 5.155 4.480 -0.000 0.000 0.307 427 M C 0.183 176.633 176.300 0.250 0.000 1.223 427 M CA -0.631 54.855 55.300 0.309 0.000 0.871 427 M CB 2.476 35.338 32.600 0.437 0.000 1.739 427 M HN 0.020 nan 8.290 nan 0.000 0.475 428 S N -0.085 115.735 115.700 0.201 0.000 2.643 428 S HA 0.923 5.393 4.470 -0.000 0.000 0.270 428 S C -2.111 172.494 174.600 0.008 0.000 1.166 428 S CA -0.581 57.696 58.200 0.128 0.000 0.815 428 S CB 1.928 65.194 63.200 0.110 0.000 1.139 428 S HN 0.825 nan 8.310 nan 0.000 0.472 429 A N 0.670 123.479 122.820 -0.018 0.000 2.539 429 A HA 0.949 5.269 4.320 -0.000 0.000 0.296 429 A C -1.029 176.555 177.584 0.000 0.000 1.073 429 A CA -0.224 51.786 52.037 -0.046 0.000 0.700 429 A CB 1.545 20.449 19.000 -0.160 0.000 1.296 429 A HN 1.533 nan 8.150 nan 0.000 0.405 430 A N 1.018 123.827 122.820 -0.018 0.000 2.359 430 A HA 0.624 4.944 4.320 -0.000 0.000 0.303 430 A C -1.172 176.319 177.584 -0.155 0.000 1.066 430 A CA -0.427 51.577 52.037 -0.055 0.000 0.730 430 A CB 0.993 19.982 19.000 -0.018 0.000 1.211 430 A HN 0.769 nan 8.150 nan 0.000 0.439 431 D N 2.237 122.526 120.400 -0.185 0.000 2.383 431 D HA 0.398 5.038 4.640 -0.000 0.000 0.245 431 D C -0.973 175.245 176.300 -0.137 0.000 1.263 431 D CA 0.446 54.293 54.000 -0.255 0.000 0.936 431 D CB 0.191 40.878 40.800 -0.188 0.000 1.053 431 D HN 0.347 nan 8.370 nan 0.000 0.507 432 L N 4.509 125.664 121.223 -0.114 0.000 2.436 432 L HA 0.432 4.772 4.340 -0.000 0.000 0.268 432 L C -1.357 175.506 176.870 -0.012 0.000 0.974 432 L CA -0.870 53.947 54.840 -0.039 0.000 0.826 432 L CB 2.176 44.231 42.059 -0.008 0.000 1.291 432 L HN 0.056 nan 8.230 nan 0.000 0.406 433 V N 5.603 125.518 119.914 0.002 0.000 2.455 433 V HA 0.380 4.500 4.120 -0.000 0.000 0.273 433 V C -0.276 175.837 176.094 0.033 0.000 1.045 433 V CA -0.337 61.976 62.300 0.023 0.000 0.976 433 V CB 1.330 33.164 31.823 0.017 0.000 0.993 433 V HN 0.525 nan 8.190 nan 0.000 0.475 434 V N 8.104 128.048 119.914 0.049 0.000 2.325 434 V HA 0.309 4.429 4.120 -0.000 0.000 0.280 434 V C -2.359 173.759 176.094 0.040 0.000 1.016 434 V CA -1.963 60.364 62.300 0.044 0.000 0.818 434 V CB 1.589 33.448 31.823 0.060 0.000 1.019 434 V HN 0.736 nan 8.190 nan 0.000 0.434 435 P HA 0.048 nan 4.420 nan 0.000 0.264 435 P C 0.152 177.456 177.300 0.005 0.000 1.183 435 P CA 0.182 63.291 63.100 0.014 0.000 0.763 435 P CB 0.663 32.363 31.700 0.001 0.000 0.807 436 A N 3.534 126.361 122.820 0.012 0.000 3.019 436 A HA 0.149 4.469 4.320 -0.000 0.000 0.262 436 A C 0.313 177.873 177.584 -0.040 0.000 1.509 436 A CA -0.034 52.002 52.037 -0.001 0.000 1.159 436 A CB -0.880 18.143 19.000 0.039 0.000 1.042 436 A HN 0.588 nan 8.150 nan 0.000 0.641 437 E N -0.847 119.319 120.200 -0.057 0.000 2.314 437 E HA 0.610 4.959 4.350 -0.000 0.000 0.272 437 E C 0.421 176.963 176.600 -0.097 0.000 0.884 437 E CA -0.587 55.768 56.400 -0.075 0.000 0.753 437 E CB 1.246 30.916 29.700 -0.049 0.000 1.213 437 E HN 0.907 nan 8.360 nan 0.000 0.432 438 G N 2.586 111.310 108.800 -0.126 0.000 2.523 438 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.271 438 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.271 438 G C 0.088 174.882 174.900 -0.176 0.000 1.146 438 G CA 0.379 45.400 45.100 -0.132 0.000 0.961 438 G HN 1.304 nan 8.290 nan 0.000 0.549 439 T N -1.937 112.533 114.554 -0.140 0.000 2.831 439 T HA 0.770 5.120 4.350 -0.000 0.000 0.287 439 T C -0.377 174.260 174.700 -0.105 0.000 1.070 439 T CA -0.380 61.629 62.100 -0.152 0.000 1.010 439 T CB 2.228 71.020 68.868 -0.126 0.000 1.264 439 T HN 1.091 nan 8.240 nan 0.000 0.532 440 I N 1.889 122.400 120.570 -0.098 0.000 2.498 440 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 440 I C -0.010 176.089 176.117 -0.029 0.000 1.032 440 I CA -0.904 60.364 61.300 -0.053 0.000 1.073 440 I CB 2.411 40.380 38.000 -0.051 0.000 1.251 440 I HN 0.917 nan 8.210 nan 0.000 0.426 441 S N 6.845 122.548 115.700 0.005 0.000 2.489 441 S HA 0.809 5.279 4.470 -0.000 0.000 0.291 441 S C -0.714 173.938 174.600 0.087 0.000 1.151 441 S CA -0.618 57.606 58.200 0.040 0.000 1.082 441 S CB 1.333 64.549 63.200 0.026 0.000 1.019 441 S HN 0.470 nan 8.310 nan 0.000 0.492 442 I N 2.026 122.688 120.570 0.154 0.000 2.468 442 I HA 0.603 4.773 4.170 -0.000 0.000 0.285 442 I C -0.281 176.018 176.117 0.303 0.000 1.039 442 I CA -0.813 60.623 61.300 0.226 0.000 1.074 442 I CB 1.747 39.878 38.000 0.219 0.000 1.228 442 I HN 0.863 nan 8.210 nan 0.000 0.436 443 A N 5.714 128.677 122.820 0.238 0.000 2.331 443 A HA 0.827 5.147 4.320 -0.000 0.000 0.320 443 A C -1.183 176.452 177.584 0.085 0.000 1.138 443 A CA -0.678 51.466 52.037 0.177 0.000 0.790 443 A CB 1.946 21.036 19.000 0.149 0.000 1.206 443 A HN 0.492 nan 8.150 nan 0.000 0.470 444 V N 2.520 122.386 119.914 -0.081 0.000 2.604 444 V HA 0.601 4.721 4.120 -0.000 0.000 0.305 444 V C -0.751 175.247 176.094 -0.160 0.000 1.043 444 V CA -0.662 61.473 62.300 -0.275 0.000 0.888 444 V CB 1.816 33.155 31.823 -0.807 0.000 0.995 444 V HN 0.861 nan 8.190 nan 0.000 0.429 445 K N 4.228 124.558 120.400 -0.116 0.000 2.449 445 K HA 0.444 4.764 4.320 -0.000 0.000 0.257 445 K C -0.343 176.188 176.600 -0.115 0.000 0.989 445 K CA -0.031 56.212 56.287 -0.074 0.000 0.916 445 K CB 1.630 34.144 32.500 0.023 0.000 1.136 445 K HN 0.668 nan 8.250 nan 0.000 0.439 446 S N 1.819 117.433 115.700 -0.142 0.000 2.564 446 S HA 0.031 4.501 4.470 -0.000 0.000 0.278 446 S C 1.398 175.936 174.600 -0.103 0.000 1.333 446 S CA -0.469 57.643 58.200 -0.147 0.000 1.048 446 S CB 0.525 63.609 63.200 -0.194 0.000 0.900 446 S HN 0.721 nan 8.310 nan 0.000 0.505 447 R N 2.137 122.587 120.500 -0.082 0.000 2.193 447 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 447 R C 1.328 177.598 176.300 -0.050 0.000 1.110 447 R CA 1.718 57.790 56.100 -0.047 0.000 0.988 447 R CB -1.158 29.121 30.300 -0.035 0.000 0.871 447 R HN 0.681 nan 8.270 nan 0.000 0.458 448 T N -2.976 111.527 114.554 -0.085 0.000 3.086 448 T HA 0.388 4.738 4.350 -0.000 0.000 0.250 448 T C 0.775 175.409 174.700 -0.111 0.000 1.074 448 T CA 0.022 62.074 62.100 -0.080 0.000 0.988 448 T CB 0.632 69.452 68.868 -0.080 0.000 0.988 448 T HN 0.585 nan 8.240 nan 0.000 0.530 449 G N -0.550 108.176 108.800 -0.124 0.000 2.539 449 G HA2 0.460 4.420 3.960 -0.000 0.000 0.686 449 G HA3 0.460 4.420 3.960 -0.000 0.000 0.686 449 G C -0.010 174.794 174.900 -0.160 0.000 1.258 449 G CA -0.475 44.555 45.100 -0.116 0.000 0.846 449 G HN 1.763 nan 8.290 nan 0.000 0.647 450 G N -0.152 108.576 108.800 -0.121 0.000 2.758 450 G HA2 0.531 4.491 3.960 -0.000 0.000 0.686 450 G HA3 0.531 4.491 3.960 -0.000 0.000 0.686 450 G C -0.288 174.536 174.900 -0.127 0.000 1.389 450 G CA 0.927 45.949 45.100 -0.130 0.000 0.845 450 G HN 2.410 nan 8.290 nan 0.000 0.572 451 E N -0.647 119.485 120.200 -0.113 0.000 2.429 451 E HA 0.787 5.137 4.350 -0.000 0.000 0.276 451 E C -0.623 175.913 176.600 -0.107 0.000 0.953 451 E CA -0.961 55.375 56.400 -0.106 0.000 0.787 451 E CB 2.762 32.419 29.700 -0.071 0.000 1.307 451 E HN 0.831 nan 8.360 nan 0.000 0.458 452 E N 0.826 120.967 120.200 -0.099 0.000 2.343 452 E HA 0.416 4.765 4.350 -0.000 0.000 0.278 452 E C -1.744 174.836 176.600 -0.033 0.000 0.910 452 E CA -0.569 55.773 56.400 -0.096 0.000 0.757 452 E CB 2.021 31.682 29.700 -0.064 0.000 1.218 452 E HN 0.647 nan 8.360 nan 0.000 0.435 453 S N 2.097 117.732 115.700 -0.107 0.000 2.595 453 S HA 0.809 5.279 4.470 -0.000 0.000 0.281 453 S C -1.034 173.501 174.600 -0.109 0.000 1.117 453 S CA -0.766 57.449 58.200 0.026 0.000 0.873 453 S CB 0.981 64.186 63.200 0.010 0.000 1.108 453 S HN 0.340 nan 8.310 nan 0.000 0.477 454 F N -0.205 119.778 119.950 0.055 0.000 2.601 454 F HA 0.669 5.196 4.527 -0.000 0.000 0.309 454 F C -0.086 175.694 175.800 -0.033 0.000 1.089 454 F CA -0.479 57.529 58.000 0.014 0.000 0.940 454 F CB 2.770 41.775 39.000 0.008 0.000 1.273 454 F HN 0.616 nan 8.300 nan 0.000 0.450 455 T N 4.108 118.741 114.554 0.131 0.000 2.890 455 T HA 0.748 5.098 4.350 -0.000 0.000 0.295 455 T C -0.713 173.946 174.700 -0.068 0.000 0.993 455 T CA -0.447 61.662 62.100 0.014 0.000 0.979 455 T CB 0.808 69.669 68.868 -0.012 0.000 0.967 455 T HN 0.544 nan 8.240 nan 0.000 0.441 456 I N 0.504 120.975 120.570 -0.165 0.000 3.042 456 I HA 0.780 4.950 4.170 -0.000 0.000 0.310 456 I C -3.106 172.841 176.117 -0.283 0.000 1.117 456 I CA -3.597 57.515 61.300 -0.313 0.000 1.003 456 I CB 2.075 39.661 38.000 -0.690 0.000 1.228 456 I HN 0.215 nan 8.210 nan 0.000 0.443 457 P HA 0.141 nan 4.420 nan 0.000 0.271 457 P C -0.532 176.433 177.300 -0.558 0.000 1.218 457 P CA -0.244 62.510 63.100 -0.577 0.000 0.780 457 P CB 0.776 31.853 31.700 -1.038 0.000 0.901 458 A N 3.511 126.076 122.820 -0.426 0.000 3.063 458 A HA 0.153 4.473 4.320 -0.000 0.000 0.263 458 A C -0.430 177.023 177.584 -0.218 0.000 1.736 458 A CA -0.614 51.284 52.037 -0.232 0.000 1.408 458 A CB -1.388 17.527 19.000 -0.141 0.000 1.108 458 A HN 0.499 nan 8.150 nan 0.000 0.621 459 W N 1.657 122.862 121.300 -0.159 0.000 2.257 459 W HA 0.235 4.895 4.660 -0.000 0.000 0.337 459 W C 1.086 177.590 176.519 -0.026 0.000 1.321 459 W CA 0.578 57.787 57.345 -0.226 0.000 1.267 459 W CB 0.517 29.758 29.460 -0.365 0.000 1.187 459 W HN 0.665 nan 8.180 nan 0.000 0.565 460 S N 1.861 117.737 115.700 0.294 0.000 2.580 460 S HA 0.497 4.966 4.470 -0.000 0.000 0.274 460 S C 0.885 175.665 174.600 0.301 0.000 1.329 460 S CA -0.396 57.955 58.200 0.252 0.000 1.036 460 S CB 1.702 65.019 63.200 0.195 0.000 0.919 460 S HN 0.685 nan 8.310 nan 0.000 0.515 461 A N 1.853 124.797 122.820 0.207 0.000 2.067 461 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 461 A C 1.851 179.502 177.584 0.112 0.000 1.158 461 A CA 1.244 53.383 52.037 0.169 0.000 0.661 461 A CB -0.832 18.261 19.000 0.156 0.000 0.801 461 A HN 0.985 nan 8.150 nan 0.000 0.452 462 D N -0.486 119.975 120.400 0.102 0.000 2.309 462 D HA -0.167 4.473 4.640 -0.000 0.000 0.212 462 D C 1.474 177.771 176.300 -0.005 0.000 0.968 462 D CA 1.105 55.136 54.000 0.050 0.000 0.882 462 D CB -0.255 40.577 40.800 0.053 0.000 0.918 462 D HN 0.566 nan 8.370 nan 0.000 0.503 463 R N -1.480 119.005 120.500 -0.025 0.000 2.555 463 R HA 0.192 4.532 4.340 -0.000 0.000 0.312 463 R C 0.083 176.112 176.300 -0.451 0.000 0.938 463 R CA -0.311 55.640 56.100 -0.249 0.000 1.112 463 R CB 0.902 30.993 30.300 -0.348 0.000 1.535 463 R HN 0.225 nan 8.270 nan 0.000 0.525 464 H N -0.458 118.610 119.070 -0.003 0.000 2.895 464 H HA 0.465 5.020 4.556 -0.000 0.000 0.373 464 H C -0.833 174.484 175.328 -0.018 0.000 1.174 464 H CA -0.716 55.308 56.048 -0.039 0.000 1.144 464 H CB 2.531 32.369 29.762 0.127 0.000 1.793 464 H HN -0.161 nan 8.280 nan 0.000 0.551 465 S N 1.769 117.494 115.700 0.040 0.000 2.521 465 S HA 0.495 4.965 4.470 -0.000 0.000 0.295 465 S C -0.076 174.617 174.600 0.155 0.000 1.098 465 S CA -0.673 57.595 58.200 0.113 0.000 0.999 465 S CB 1.193 64.500 63.200 0.178 0.000 1.034 465 S HN 0.340 nan 8.310 nan 0.000 0.483 466 I N 3.344 124.008 120.570 0.157 0.000 2.404 466 I HA 0.492 4.662 4.170 -0.000 0.000 0.293 466 I C -1.261 174.845 176.117 -0.018 0.000 0.992 466 I CA -0.730 60.667 61.300 0.161 0.000 1.149 466 I CB 1.431 39.571 38.000 0.232 0.000 1.315 466 I HN 0.415 nan 8.210 nan 0.000 0.446 467 I N 6.958 127.466 120.570 -0.104 0.000 2.466 467 I HA 0.402 4.572 4.170 -0.000 0.000 0.289 467 I C -0.497 175.514 176.117 -0.176 0.000 1.026 467 I CA -0.578 60.566 61.300 -0.260 0.000 1.078 467 I CB 1.988 39.706 38.000 -0.470 0.000 1.249 467 I HN 0.111 nan 8.210 nan 0.000 0.429 468 V N 5.644 125.342 119.914 -0.361 0.000 2.444 468 V HA 0.463 4.583 4.120 -0.000 0.000 0.294 468 V C -0.374 175.258 176.094 -0.771 0.000 1.022 468 V CA -0.662 61.296 62.300 -0.570 0.000 0.850 468 V CB 1.631 32.954 31.823 -0.833 0.000 0.992 468 V HN 0.763 nan 8.190 nan 0.000 0.426 469 Q N 4.030 123.468 119.800 -0.604 0.000 2.347 469 Q HA 0.572 4.912 4.340 -0.000 0.000 0.262 469 Q C -1.361 174.432 176.000 -0.345 0.000 0.980 469 Q CA -0.475 55.019 55.803 -0.514 0.000 0.867 469 Q CB 0.927 29.448 28.738 -0.362 0.000 1.242 469 Q HN 0.584 nan 8.270 nan 0.000 0.453 470 F N 0.874 120.738 119.950 -0.144 0.000 2.380 470 F HA 0.314 4.841 4.527 -0.000 0.000 0.325 470 F C 0.834 176.609 175.800 -0.042 0.000 1.136 470 F CA -0.595 57.415 58.000 0.017 0.000 1.171 470 F CB 1.119 40.119 39.000 -0.001 0.000 1.230 470 F HN 0.387 nan 8.300 nan 0.000 0.554 471 S N 0.595 116.428 115.700 0.220 0.000 2.562 471 S HA 0.046 4.515 4.470 -0.000 0.000 0.281 471 S C 0.485 175.117 174.600 0.053 0.000 1.333 471 S CA -0.590 57.656 58.200 0.077 0.000 1.052 471 S CB 0.524 63.750 63.200 0.042 0.000 0.884 471 S HN 0.599 nan 8.310 nan 0.000 0.506 472 D N -0.066 120.359 120.400 0.041 0.000 2.363 472 D HA 0.002 4.642 4.640 -0.000 0.000 0.226 472 D C -0.224 176.137 176.300 0.102 0.000 1.020 472 D CA 0.508 54.541 54.000 0.055 0.000 0.892 472 D CB -0.151 40.690 40.800 0.067 0.000 0.900 472 D HN 0.524 nan 8.370 nan 0.000 0.531 473 Y N 0.024 120.283 120.300 -0.068 0.000 2.358 473 Y HA 0.348 4.898 4.550 -0.000 0.000 0.324 473 Y C -1.568 174.284 175.900 -0.080 0.000 1.123 473 Y CA -1.101 56.947 58.100 -0.086 0.000 1.067 473 Y CB 1.226 39.615 38.460 -0.118 0.000 1.230 473 Y HN -0.215 nan 8.280 nan 0.000 0.429 474 I N 7.199 127.421 120.570 -0.581 0.000 2.307 474 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 474 I C -0.003 175.879 176.117 -0.391 0.000 1.021 474 I CA -0.779 60.308 61.300 -0.355 0.000 1.224 474 I CB 0.822 38.652 38.000 -0.283 0.000 1.376 474 I HN 0.327 nan 8.210 nan 0.000 0.470 475 V N 0.000 119.867 119.914 -0.078 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.325 62.300 0.042 0.000 1.235 475 V CB 0.000 31.869 31.823 0.078 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556