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 1dbn_1_A DATA FIRST_RESID 1 DATA SEQUENCE SDELSFTINN FVPNEADLLF QGEASVSSTG VLQLTKVENG QPQKYSVGRA DATA SEQUENCE LYAAPVRIWG NTTGSVASFS TSFTFVVKAP NPDITSDGLA FYLAPPDSQI DATA SEQUENCE PSGSVSKYLG LFNNSNSDSS NQIVAVEFDT YFAHSYDPWD PNYRHIGIDV DATA SEQUENCE NGIESIKTVQ WDWINGGVAF ATITYLAPNK TLIASLVYPS NQTTFSVAAS DATA SEQUENCE VDLKEILPEW VRVGFSAATG YPTEVETHDV LSWSFTSTL 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.652 174.600 0.087 0.000 1.055 1 S CA 0.000 58.322 58.200 0.204 0.000 1.107 1 S CB 0.000 63.336 63.200 0.227 0.000 0.593 2 D N 1.827 122.270 120.400 0.072 0.000 2.389 2 D HA 0.287 4.927 4.640 -0.000 0.000 0.206 2 D C 0.098 176.427 176.300 0.049 0.000 1.055 2 D CA 0.452 54.477 54.000 0.041 0.000 0.856 2 D CB 0.524 41.347 40.800 0.040 0.000 0.957 2 D HN 0.530 nan 8.370 nan 0.000 0.509 3 E N 0.607 120.847 120.200 0.067 0.000 2.343 3 E HA 0.315 4.665 4.350 -0.000 0.000 0.286 3 E C -1.956 174.697 176.600 0.089 0.000 0.915 3 E CA -0.669 55.769 56.400 0.064 0.000 0.784 3 E CB 2.065 31.791 29.700 0.043 0.000 1.251 3 E HN -0.064 nan 8.360 nan 0.000 0.407 4 L N 2.644 123.932 121.223 0.108 0.000 2.410 4 L HA 0.686 5.026 4.340 -0.000 0.000 0.270 4 L C -1.630 175.304 176.870 0.105 0.000 0.983 4 L CA -0.210 54.720 54.840 0.150 0.000 0.822 4 L CB 2.095 44.295 42.059 0.235 0.000 1.285 4 L HN 0.355 nan 8.230 nan 0.000 0.409 5 S N 4.380 120.128 115.700 0.080 0.000 2.603 5 S HA 0.847 5.317 4.470 -0.000 0.000 0.274 5 S C -1.481 173.118 174.600 -0.001 0.000 1.168 5 S CA -0.426 57.749 58.200 -0.043 0.000 0.963 5 S CB 0.564 63.731 63.200 -0.054 0.000 1.078 5 S HN 0.668 nan 8.310 nan 0.000 0.477 6 F N 0.706 120.545 119.950 -0.185 0.000 2.619 6 F HA 0.817 5.343 4.527 -0.001 0.000 0.308 6 F C -0.786 174.877 175.800 -0.229 0.000 1.097 6 F CA -0.659 57.192 58.000 -0.248 0.000 0.953 6 F CB 1.491 40.199 39.000 -0.486 0.000 1.287 6 F HN 0.291 nan 8.300 nan 0.000 0.446 7 T N 4.338 118.928 114.554 0.061 0.000 2.841 7 T HA 0.602 4.952 4.350 -0.000 0.000 0.285 7 T C -0.679 174.070 174.700 0.082 0.000 0.991 7 T CA -0.369 61.744 62.100 0.021 0.000 0.966 7 T CB 1.256 70.127 68.868 0.005 0.000 0.962 7 T HN 0.616 nan 8.240 nan 0.000 0.438 8 I N 3.844 124.460 120.570 0.076 0.000 2.428 8 I HA 0.277 4.447 4.170 -0.000 0.000 0.279 8 I C 0.802 176.840 176.117 -0.131 0.000 1.040 8 I CA -0.673 60.602 61.300 -0.042 0.000 1.171 8 I CB 1.123 39.062 38.000 -0.102 0.000 1.312 8 I HN 0.559 nan 8.210 nan 0.000 0.470 9 N N 4.268 122.923 118.700 -0.075 0.000 2.300 9 N HA -0.016 4.723 4.740 -0.000 0.000 0.179 9 N C 0.009 175.470 175.510 -0.083 0.000 1.016 9 N CA 0.778 53.804 53.050 -0.040 0.000 0.876 9 N CB 0.147 38.637 38.487 0.005 0.000 0.979 9 N HN 0.654 nan 8.380 nan 0.000 0.432 10 N N -0.215 118.403 118.700 -0.137 0.000 2.454 10 N HA 0.139 4.879 4.740 -0.000 0.000 0.291 10 N C -1.340 174.111 175.510 -0.099 0.000 1.079 10 N CA -0.454 52.551 53.050 -0.075 0.000 0.893 10 N CB 0.630 39.132 38.487 0.025 0.000 1.512 10 N HN -0.262 nan 8.380 nan 0.000 0.497 11 F N 0.629 120.677 119.950 0.163 0.000 2.410 11 F HA 0.416 4.943 4.527 -0.000 0.000 0.334 11 F C 0.906 176.789 175.800 0.139 0.000 1.134 11 F CA -0.332 57.773 58.000 0.176 0.000 1.227 11 F CB 1.030 40.147 39.000 0.195 0.000 1.194 11 F HN 0.157 nan 8.300 nan 0.000 0.571 12 V N 2.567 122.689 119.914 0.346 0.000 2.823 12 V HA 0.395 4.514 4.120 -0.000 0.000 0.312 12 V C -2.293 173.916 176.094 0.193 0.000 1.072 12 V CA -2.400 60.028 62.300 0.212 0.000 0.937 12 V CB 2.252 34.168 31.823 0.156 0.000 1.013 12 V HN 0.484 nan 8.190 nan 0.000 0.430 13 P HA 0.110 nan 4.420 nan 0.000 0.264 13 P C 0.200 177.519 177.300 0.032 0.000 1.193 13 P CA 0.657 63.784 63.100 0.046 0.000 0.763 13 P CB -0.082 31.630 31.700 0.020 0.000 0.810 14 N N -0.119 118.549 118.700 -0.054 0.000 2.714 14 N HA -0.254 4.486 4.740 -0.000 0.000 0.250 14 N C -0.148 175.461 175.510 0.164 0.000 1.117 14 N CA 0.273 53.291 53.050 -0.054 0.000 0.719 14 N CB -1.129 37.328 38.487 -0.051 0.000 1.081 14 N HN 0.605 nan 8.380 nan 0.000 0.557 15 E N 0.402 120.769 120.200 0.279 0.000 3.250 15 E HA -0.107 4.243 4.350 -0.000 0.000 0.244 15 E C 1.309 178.053 176.600 0.240 0.000 0.931 15 E CA 0.480 57.054 56.400 0.291 0.000 0.954 15 E CB 0.234 30.175 29.700 0.401 0.000 0.894 15 E HN 0.411 nan 8.360 nan 0.000 0.560 16 A N 4.905 127.800 122.820 0.126 0.000 1.986 16 A HA -0.228 4.091 4.320 -0.000 0.000 0.220 16 A C 1.350 178.918 177.584 -0.027 0.000 1.171 16 A CA 1.813 53.883 52.037 0.055 0.000 0.640 16 A CB -0.282 18.730 19.000 0.021 0.000 0.811 16 A HN 0.824 nan 8.150 nan 0.000 0.451 17 D N -1.515 118.849 120.400 -0.060 0.000 2.434 17 D HA 0.339 4.979 4.640 -0.000 0.000 0.232 17 D C -0.358 175.749 176.300 -0.323 0.000 1.166 17 D CA -0.116 53.725 54.000 -0.265 0.000 0.830 17 D CB -0.155 40.478 40.800 -0.278 0.000 0.960 17 D HN 0.156 nan 8.370 nan 0.000 0.497 18 L N 0.318 121.433 121.223 -0.181 0.000 2.410 18 L HA 0.422 4.762 4.340 -0.000 0.000 0.270 18 L C -0.927 175.703 176.870 -0.399 0.000 0.983 18 L CA -0.799 53.855 54.840 -0.311 0.000 0.822 18 L CB 2.293 44.129 42.059 -0.372 0.000 1.285 18 L HN 0.012 nan 8.230 nan 0.000 0.409 19 L N 4.565 125.547 121.223 -0.401 0.000 2.257 19 L HA 0.444 4.784 4.340 -0.000 0.000 0.290 19 L C -0.912 175.757 176.870 -0.334 0.000 1.044 19 L CA -0.275 54.415 54.840 -0.249 0.000 0.810 19 L CB 0.602 42.560 42.059 -0.169 0.000 1.193 19 L HN 0.410 nan 8.230 nan 0.000 0.425 20 F N 2.071 122.006 119.950 -0.025 0.000 2.404 20 F HA 0.447 4.974 4.527 -0.001 0.000 0.339 20 F C 0.404 176.190 175.800 -0.023 0.000 1.105 20 F CA -0.396 57.592 58.000 -0.020 0.000 1.087 20 F CB 1.249 40.236 39.000 -0.021 0.000 1.143 20 F HN 0.399 nan 8.300 nan 0.000 0.491 21 Q N 1.488 121.370 119.800 0.138 0.000 2.347 21 Q HA 0.589 4.929 4.340 -0.000 0.000 0.271 21 Q C 0.290 176.328 176.000 0.063 0.000 1.064 21 Q CA -0.560 55.285 55.803 0.069 0.000 0.800 21 Q CB 2.574 31.325 28.738 0.021 0.000 1.304 21 Q HN 0.930 nan 8.270 nan 0.000 0.438 22 G N 1.862 110.686 108.800 0.040 0.000 2.509 22 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.259 22 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.259 22 G C 0.050 174.970 174.900 0.032 0.000 1.169 22 G CA 0.192 45.308 45.100 0.027 0.000 0.953 22 G HN 0.714 nan 8.290 nan 0.000 0.563 23 E N 1.333 121.550 120.200 0.028 0.000 2.444 23 E HA 0.489 4.838 4.350 -0.000 0.000 0.191 23 E C 1.226 177.842 176.600 0.028 0.000 1.041 23 E CA 0.226 56.637 56.400 0.019 0.000 0.883 23 E CB 0.443 30.152 29.700 0.015 0.000 1.024 23 E HN 0.822 nan 8.360 nan 0.000 0.470 24 A N 1.763 124.627 122.820 0.073 0.000 2.425 24 A HA 0.430 4.750 4.320 -0.000 0.000 0.242 24 A C 0.436 178.083 177.584 0.106 0.000 1.077 24 A CA 0.162 52.277 52.037 0.129 0.000 0.781 24 A CB 0.400 19.525 19.000 0.209 0.000 1.020 24 A HN 0.220 nan 8.150 nan 0.000 0.494 25 S N -1.019 114.724 115.700 0.071 0.000 2.688 25 S HA 0.426 4.896 4.470 -0.000 0.000 0.266 25 S C -1.031 173.538 174.600 -0.052 0.000 1.061 25 S CA -0.071 57.991 58.200 -0.230 0.000 0.844 25 S CB 0.459 63.492 63.200 -0.277 0.000 1.103 25 S HN 2.213 nan 8.310 nan 0.000 0.471 26 V N 1.732 121.582 119.914 -0.107 0.000 2.459 26 V HA 0.837 4.957 4.120 -0.000 0.000 0.295 26 V C 0.325 176.415 176.094 -0.006 0.000 1.029 26 V CA 0.363 62.669 62.300 0.010 0.000 0.874 26 V CB 1.184 33.089 31.823 0.136 0.000 0.985 26 V HN 1.714 nan 8.190 nan 0.000 0.438 27 S N 4.337 120.049 115.700 0.021 0.000 2.596 27 S HA 0.142 4.612 4.470 -0.000 0.000 0.260 27 S C 1.470 176.095 174.600 0.041 0.000 1.336 27 S CA 0.194 58.407 58.200 0.021 0.000 0.993 27 S CB 1.065 64.283 63.200 0.031 0.000 0.923 27 S HN 1.863 nan 8.310 nan 0.000 0.567 28 S N -0.588 115.130 115.700 0.029 0.000 2.469 28 S HA -0.104 4.366 4.470 -0.000 0.000 0.238 28 S C 1.470 176.102 174.600 0.054 0.000 0.998 28 S CA 1.220 59.441 58.200 0.036 0.000 0.957 28 S CB -0.993 62.221 63.200 0.023 0.000 0.764 28 S HN 0.886 nan 8.310 nan 0.000 0.514 29 T N 0.235 114.825 114.554 0.061 0.000 3.107 29 T HA 0.405 4.755 4.350 -0.000 0.000 0.249 29 T C 1.222 175.985 174.700 0.105 0.000 1.096 29 T CA 0.847 62.990 62.100 0.072 0.000 1.012 29 T CB -0.945 67.961 68.868 0.063 0.000 0.977 29 T HN 1.069 nan 8.240 nan 0.000 0.527 30 G N 0.827 109.705 108.800 0.129 0.000 2.132 30 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.234 30 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.234 30 G C 0.168 175.238 174.900 0.283 0.000 0.989 30 G CA 0.210 45.432 45.100 0.204 0.000 0.676 30 G HN 1.322 nan 8.290 nan 0.000 0.522 31 V N -1.524 118.505 119.914 0.193 0.000 2.483 31 V HA 0.859 4.978 4.120 -0.000 0.000 0.295 31 V C 0.466 176.578 176.094 0.031 0.000 1.035 31 V CA -1.431 60.974 62.300 0.175 0.000 0.896 31 V CB 1.847 33.743 31.823 0.121 0.000 0.986 31 V HN 0.968 nan 8.190 nan 0.000 0.447 32 L N 5.338 126.452 121.223 -0.181 0.000 2.342 32 L HA 0.423 4.762 4.340 -0.000 0.000 0.285 32 L C 0.303 177.074 176.870 -0.166 0.000 1.095 32 L CA 0.461 55.082 54.840 -0.365 0.000 0.843 32 L CB 0.118 41.606 42.059 -0.952 0.000 1.201 32 L HN 0.861 nan 8.230 nan 0.000 0.445 33 Q N 5.457 125.220 119.800 -0.061 0.000 2.406 33 Q HA 0.158 4.498 4.340 -0.000 0.000 0.242 33 Q C 0.587 176.589 176.000 0.003 0.000 1.036 33 Q CA -0.652 55.140 55.803 -0.018 0.000 0.904 33 Q CB 1.359 30.096 28.738 -0.001 0.000 1.244 33 Q HN 0.648 nan 8.270 nan 0.000 0.478 34 L N 1.067 122.290 121.223 -0.000 0.000 1.994 34 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 34 L C 1.371 178.271 176.870 0.051 0.000 1.071 34 L CA 1.683 56.532 54.840 0.016 0.000 0.745 34 L CB -1.324 40.729 42.059 -0.011 0.000 0.892 34 L HN 0.601 nan 8.230 nan 0.000 0.431 35 T N -1.974 112.641 114.554 0.102 0.000 2.929 35 T HA 0.289 4.639 4.350 -0.000 0.000 0.284 35 T C 0.079 174.810 174.700 0.052 0.000 1.014 35 T CA -0.864 61.296 62.100 0.100 0.000 1.051 35 T CB 2.168 71.166 68.868 0.217 0.000 1.028 35 T HN -0.010 nan 8.240 nan 0.000 0.485 36 K N 1.261 121.679 120.400 0.031 0.000 2.412 36 K HA 0.369 4.689 4.320 -0.000 0.000 0.281 36 K C -0.304 176.297 176.600 0.001 0.000 1.027 36 K CA -0.541 55.752 56.287 0.010 0.000 0.989 36 K CB 0.156 32.660 32.500 0.005 0.000 0.935 36 K HN 0.641 nan 8.250 nan 0.000 0.475 37 V N 1.006 120.918 119.914 -0.004 0.000 2.735 37 V HA 0.558 4.677 4.120 -0.000 0.000 0.310 37 V C -1.290 174.799 176.094 -0.007 0.000 1.061 37 V CA -0.719 61.577 62.300 -0.007 0.000 0.913 37 V CB 1.837 33.658 31.823 -0.003 0.000 1.005 37 V HN 0.863 nan 8.190 nan 0.000 0.428 38 E N 3.570 123.765 120.200 -0.009 0.000 2.241 38 E HA 0.493 4.843 4.350 -0.000 0.000 0.263 38 E C -0.676 175.921 176.600 -0.006 0.000 0.882 38 E CA -0.711 55.685 56.400 -0.008 0.000 0.769 38 E CB 1.364 31.058 29.700 -0.010 0.000 1.185 38 E HN 0.848 nan 8.360 nan 0.000 0.415 39 N N 1.971 120.669 118.700 -0.003 0.000 2.782 39 N HA -0.220 4.520 4.740 -0.000 0.000 0.251 39 N C 0.693 176.205 175.510 0.002 0.000 1.101 39 N CA 1.315 54.364 53.050 -0.000 0.000 0.764 39 N CB -1.199 37.286 38.487 -0.002 0.000 1.122 39 N HN 1.024 nan 8.380 nan 0.000 0.561 40 G N -1.076 107.726 108.800 0.003 0.000 2.157 40 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.248 40 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.248 40 G C -0.179 174.723 174.900 0.004 0.000 0.979 40 G CA 0.580 45.684 45.100 0.007 0.000 0.650 40 G HN 0.462 nan 8.290 nan 0.000 0.529 41 Q N 0.981 120.779 119.800 -0.003 0.000 2.333 41 Q HA 0.523 4.863 4.340 -0.000 0.000 0.265 41 Q C -2.193 173.796 176.000 -0.018 0.000 0.989 41 Q CA -2.077 53.721 55.803 -0.009 0.000 0.842 41 Q CB 2.435 31.166 28.738 -0.012 0.000 1.262 41 Q HN 0.273 nan 8.270 nan 0.000 0.451 42 P HA -0.003 nan 4.420 nan 0.000 0.271 42 P C -0.826 176.447 177.300 -0.045 0.000 1.216 42 P CA -0.254 62.823 63.100 -0.039 0.000 0.771 42 P CB 0.912 32.574 31.700 -0.063 0.000 0.864 43 Q N 2.125 121.903 119.800 -0.037 0.000 2.222 43 Q HA 0.212 4.552 4.340 -0.000 0.000 0.252 43 Q C 0.543 176.503 176.000 -0.066 0.000 0.926 43 Q CA -0.605 55.172 55.803 -0.042 0.000 0.899 43 Q CB 1.360 30.087 28.738 -0.019 0.000 1.250 43 Q HN 0.505 nan 8.270 nan 0.000 0.441 44 K N 0.163 120.505 120.400 -0.096 0.000 2.319 44 K HA 0.061 4.381 4.320 -0.000 0.000 0.265 44 K C -0.764 175.785 176.600 -0.086 0.000 1.000 44 K CA -0.347 55.821 56.287 -0.198 0.000 0.943 44 K CB 0.197 32.564 32.500 -0.221 0.000 0.950 44 K HN 0.505 nan 8.250 nan 0.000 0.485 45 Y N -0.873 119.398 120.300 -0.048 0.000 3.001 45 Y HA -0.275 4.275 4.550 -0.000 0.000 0.207 45 Y C -0.001 175.886 175.900 -0.022 0.000 1.231 45 Y CA 0.637 58.715 58.100 -0.036 0.000 1.024 45 Y CB -1.513 36.924 38.460 -0.038 0.000 1.267 45 Y HN 0.653 nan 8.280 nan 0.000 0.501 46 S N 0.099 115.830 115.700 0.051 0.000 2.472 46 S HA 0.833 5.303 4.470 -0.000 0.000 0.303 46 S C -0.526 174.093 174.600 0.032 0.000 1.099 46 S CA -0.576 57.652 58.200 0.046 0.000 1.077 46 S CB 1.317 64.538 63.200 0.034 0.000 1.031 46 S HN 0.170 nan 8.310 nan 0.000 0.487 47 V N 3.439 123.367 119.914 0.024 0.000 2.577 47 V HA 0.842 4.962 4.120 -0.000 0.000 0.303 47 V C 0.474 176.565 176.094 -0.004 0.000 1.042 47 V CA -0.415 61.883 62.300 -0.003 0.000 0.872 47 V CB 1.537 33.359 31.823 -0.002 0.000 0.998 47 V HN 1.018 nan 8.190 nan 0.000 0.423 48 G N 3.735 112.523 108.800 -0.020 0.000 2.660 48 G HA2 0.835 4.795 3.960 -0.000 0.000 0.294 48 G HA3 0.835 4.795 3.960 -0.000 0.000 0.294 48 G C -1.460 173.431 174.900 -0.014 0.000 1.369 48 G CA -0.872 44.229 45.100 0.003 0.000 0.912 48 G HN 0.569 nan 8.290 nan 0.000 0.479 49 R N -0.535 119.974 120.500 0.015 0.000 2.548 49 R HA 0.675 5.014 4.340 -0.000 0.000 0.280 49 R C -0.947 175.353 176.300 0.001 0.000 1.061 49 R CA -0.625 55.484 56.100 0.015 0.000 0.915 49 R CB 2.496 32.799 30.300 0.004 0.000 1.210 49 R HN 0.830 nan 8.270 nan 0.000 0.442 50 A N 3.779 126.576 122.820 -0.040 0.000 2.371 50 A HA 0.803 5.123 4.320 -0.000 0.000 0.311 50 A C -1.247 176.237 177.584 -0.166 0.000 1.068 50 A CA -0.596 51.322 52.037 -0.199 0.000 0.744 50 A CB 0.964 19.814 19.000 -0.250 0.000 1.239 50 A HN 0.540 nan 8.150 nan 0.000 0.435 51 L N 1.358 122.460 121.223 -0.202 0.000 2.401 51 L HA 0.403 4.743 4.340 -0.000 0.000 0.266 51 L C -0.708 176.128 176.870 -0.057 0.000 0.991 51 L CA -0.814 53.946 54.840 -0.133 0.000 0.818 51 L CB 1.904 43.850 42.059 -0.188 0.000 1.321 51 L HN 0.763 nan 8.230 nan 0.000 0.413 52 Y N 1.493 121.767 120.300 -0.044 0.000 2.620 52 Y HA 0.130 4.680 4.550 -0.000 0.000 0.330 52 Y C 1.228 176.976 175.900 -0.252 0.000 1.186 52 Y CA 0.448 58.410 58.100 -0.230 0.000 1.467 52 Y CB 1.482 39.624 38.460 -0.530 0.000 1.262 52 Y HN 0.756 nan 8.280 nan 0.000 0.550 53 A N 5.341 127.620 122.820 -0.902 0.000 1.948 53 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 53 A C 1.268 178.573 177.584 -0.465 0.000 1.177 53 A CA 1.406 53.075 52.037 -0.614 0.000 0.636 53 A CB -1.136 17.514 19.000 -0.583 0.000 0.815 53 A HN 0.919 nan 8.150 nan 0.000 0.449 54 A N 0.292 122.797 122.820 -0.526 0.000 2.320 54 A HA 0.582 4.902 4.320 -0.000 0.000 0.287 54 A C -2.518 175.075 177.584 0.014 0.000 1.181 54 A CA -1.578 50.376 52.037 -0.138 0.000 0.831 54 A CB -0.021 18.997 19.000 0.031 0.000 1.102 54 A HN 0.220 nan 8.150 nan 0.000 0.513 55 P HA 0.262 nan 4.420 nan 0.000 0.269 55 P C -0.717 176.731 177.300 0.248 0.000 1.209 55 P CA -0.041 63.098 63.100 0.066 0.000 0.776 55 P CB 0.776 32.469 31.700 -0.012 0.000 0.876 56 V N 3.514 123.564 119.914 0.226 0.000 2.459 56 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 56 V C 0.576 176.707 176.094 0.062 0.000 1.029 56 V CA -0.733 61.683 62.300 0.193 0.000 0.874 56 V CB 1.425 33.283 31.823 0.059 0.000 0.985 56 V HN 0.427 nan 8.190 nan 0.000 0.438 57 R N 3.800 124.184 120.500 -0.193 0.000 2.248 57 R HA 0.310 4.650 4.340 -0.000 0.000 0.328 57 R C 0.410 176.480 176.300 -0.384 0.000 1.067 57 R CA -0.325 55.297 56.100 -0.798 0.000 0.924 57 R CB 0.423 30.155 30.300 -0.948 0.000 1.013 57 R HN 0.659 nan 8.270 nan 0.000 0.454 58 I N 4.751 125.068 120.570 -0.422 0.000 3.035 58 I HA 0.076 4.246 4.170 -0.000 0.000 0.271 58 I C 0.362 176.490 176.117 0.017 0.000 1.190 58 I CA 0.718 61.936 61.300 -0.137 0.000 1.472 58 I CB -0.531 37.421 38.000 -0.080 0.000 1.116 58 I HN 0.642 nan 8.210 nan 0.000 0.443 59 W N 0.150 121.357 121.300 -0.156 0.000 3.059 59 W HA 0.609 5.269 4.660 -0.000 0.000 0.329 59 W C -0.819 175.608 176.519 -0.153 0.000 1.246 59 W CA -1.330 55.953 57.345 -0.104 0.000 1.190 59 W CB 0.739 30.171 29.460 -0.047 0.000 1.423 59 W HN -0.158 nan 8.180 nan 0.000 0.571 60 G N 1.709 110.738 108.800 0.382 0.000 2.683 60 G HA2 0.250 4.210 3.960 -0.000 0.000 0.299 60 G HA3 0.250 4.210 3.960 -0.000 0.000 0.299 60 G C 0.278 175.380 174.900 0.336 0.000 1.432 60 G CA -0.608 44.646 45.100 0.257 0.000 0.978 60 G HN 0.542 nan 8.290 nan 0.000 0.513 61 N N 1.317 120.256 118.700 0.400 0.000 2.270 61 N HA -0.160 4.580 4.740 -0.000 0.000 0.181 61 N C 1.916 177.499 175.510 0.123 0.000 1.016 61 N CA 1.844 55.026 53.050 0.221 0.000 0.870 61 N CB -0.697 37.938 38.487 0.247 0.000 0.979 61 N HN 0.493 nan 8.380 nan 0.000 0.431 62 T N -2.573 112.054 114.554 0.121 0.000 2.867 62 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 62 T C 1.659 176.397 174.700 0.064 0.000 1.057 62 T CA 1.783 63.931 62.100 0.079 0.000 1.136 62 T CB -0.883 68.029 68.868 0.073 0.000 0.874 62 T HN 0.297 nan 8.240 nan 0.000 0.466 63 T N -0.304 114.294 114.554 0.073 0.000 3.031 63 T HA 0.457 4.807 4.350 -0.000 0.000 0.254 63 T C 1.997 176.727 174.700 0.050 0.000 1.060 63 T CA 0.526 62.660 62.100 0.057 0.000 1.135 63 T CB -0.436 68.467 68.868 0.058 0.000 0.896 63 T HN 0.729 nan 8.240 nan 0.000 0.472 64 G N 1.855 110.692 108.800 0.061 0.000 2.253 64 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.251 64 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.251 64 G C 0.483 175.405 174.900 0.037 0.000 0.998 64 G CA 0.291 45.409 45.100 0.031 0.000 0.621 64 G HN 0.967 nan 8.290 nan 0.000 0.524 65 S N -0.617 115.123 115.700 0.065 0.000 2.632 65 S HA 0.784 5.254 4.470 -0.000 0.000 0.267 65 S C -0.014 174.664 174.600 0.131 0.000 1.276 65 S CA -0.086 58.158 58.200 0.074 0.000 0.998 65 S CB 2.620 65.856 63.200 0.060 0.000 0.953 65 S HN 1.141 nan 8.310 nan 0.000 0.547 66 V N 0.450 120.444 119.914 0.133 0.000 2.823 66 V HA 0.758 4.878 4.120 -0.000 0.000 0.312 66 V C 0.355 176.566 176.094 0.196 0.000 1.072 66 V CA -0.974 61.452 62.300 0.209 0.000 0.937 66 V CB 1.555 33.507 31.823 0.215 0.000 1.013 66 V HN 1.232 nan 8.190 nan 0.000 0.430 67 A N 2.251 125.214 122.820 0.238 0.000 2.388 67 A HA 0.672 4.991 4.320 -0.000 0.000 0.257 67 A C 0.284 178.063 177.584 0.325 0.000 1.095 67 A CA -0.010 52.166 52.037 0.233 0.000 0.791 67 A CB 0.420 19.556 19.000 0.226 0.000 1.029 67 A HN 0.749 nan 8.150 nan 0.000 0.489 68 S N 0.379 116.204 115.700 0.209 0.000 2.501 68 S HA 0.801 5.271 4.470 -0.000 0.000 0.301 68 S C -0.749 173.948 174.600 0.162 0.000 1.096 68 S CA -0.332 57.944 58.200 0.126 0.000 1.063 68 S CB 0.714 63.901 63.200 -0.022 0.000 1.042 68 S HN 0.837 nan 8.310 nan 0.000 0.494 69 F N -0.035 119.957 119.950 0.069 0.000 2.692 69 F HA 0.901 5.428 4.527 -0.001 0.000 0.320 69 F C -0.604 175.106 175.800 -0.149 0.000 1.123 69 F CA -1.071 56.849 58.000 -0.134 0.000 0.961 69 F CB 1.296 40.178 39.000 -0.197 0.000 1.383 69 F HN 0.439 nan 8.300 nan 0.000 0.483 70 S N -0.158 115.599 115.700 0.094 0.000 2.562 70 S HA 0.728 5.198 4.470 -0.000 0.000 0.274 70 S C -1.677 172.885 174.600 -0.063 0.000 1.160 70 S CA -0.344 57.872 58.200 0.027 0.000 0.933 70 S CB 1.425 64.582 63.200 -0.071 0.000 1.100 70 S HN 1.000 nan 8.310 nan 0.000 0.468 71 T N 2.729 117.305 114.554 0.037 0.000 2.900 71 T HA 0.749 5.098 4.350 -0.000 0.000 0.295 71 T C -0.991 173.765 174.700 0.094 0.000 1.044 71 T CA -0.752 61.389 62.100 0.070 0.000 0.995 71 T CB 1.776 70.695 68.868 0.084 0.000 1.072 71 T HN 0.442 nan 8.240 nan 0.000 0.473 72 S N 1.556 117.372 115.700 0.195 0.000 2.541 72 S HA 0.901 5.371 4.470 -0.000 0.000 0.280 72 S C -1.366 173.422 174.600 0.314 0.000 1.112 72 S CA -0.884 57.298 58.200 -0.030 0.000 0.925 72 S CB 0.820 63.998 63.200 -0.036 0.000 1.067 72 S HN 0.722 nan 8.310 nan 0.000 0.479 73 F N -1.007 118.957 119.950 0.023 0.000 2.693 73 F HA 0.749 5.276 4.527 -0.000 0.000 0.309 73 F C -0.491 175.369 175.800 0.100 0.000 1.129 73 F CA -1.018 57.108 58.000 0.209 0.000 0.948 73 F CB 0.798 39.988 39.000 0.317 0.000 1.315 73 F HN 0.452 nan 8.300 nan 0.000 0.447 74 T N 0.346 115.109 114.554 0.348 0.000 2.855 74 T HA 0.848 5.198 4.350 -0.000 0.000 0.281 74 T C -1.027 173.861 174.700 0.312 0.000 1.007 74 T CA -0.530 61.696 62.100 0.210 0.000 1.009 74 T CB 1.686 70.695 68.868 0.234 0.000 0.983 74 T HN 1.164 nan 8.240 nan 0.000 0.455 75 F N 0.011 120.022 119.950 0.102 0.000 2.662 75 F HA 0.864 5.391 4.527 0.000 0.000 0.312 75 F C -2.033 173.854 175.800 0.146 0.000 1.113 75 F CA -1.548 56.507 58.000 0.092 0.000 0.951 75 F CB 1.109 40.123 39.000 0.023 0.000 1.344 75 F HN 0.499 nan 8.300 nan 0.000 0.462 76 V N 1.802 121.972 119.914 0.427 0.000 2.760 76 V HA 0.609 4.729 4.120 -0.000 0.000 0.309 76 V C -1.170 175.194 176.094 0.450 0.000 1.077 76 V CA -0.837 61.680 62.300 0.362 0.000 0.910 76 V CB 1.901 33.856 31.823 0.220 0.000 1.008 76 V HN 0.787 nan 8.190 nan 0.000 0.424 77 V N 4.439 124.686 119.914 0.555 0.000 2.305 77 V HA 0.411 4.531 4.120 -0.000 0.000 0.275 77 V C -0.085 176.336 176.094 0.545 0.000 1.020 77 V CA -0.657 61.944 62.300 0.502 0.000 0.811 77 V CB 1.273 33.477 31.823 0.634 0.000 1.031 77 V HN 0.821 nan 8.190 nan 0.000 0.439 78 K N 3.578 124.151 120.400 0.287 0.000 2.265 78 K HA 0.801 5.121 4.320 -0.000 0.000 0.267 78 K C -0.359 176.357 176.600 0.192 0.000 0.994 78 K CA -0.318 56.116 56.287 0.246 0.000 0.860 78 K CB 1.464 34.043 32.500 0.131 0.000 1.099 78 K HN 0.710 nan 8.250 nan 0.000 0.448 79 A N 5.400 128.388 122.820 0.281 0.000 2.331 79 A HA 0.454 4.774 4.320 -0.000 0.000 0.320 79 A C -1.962 175.703 177.584 0.135 0.000 1.138 79 A CA -1.575 50.570 52.037 0.179 0.000 0.790 79 A CB 1.025 20.153 19.000 0.214 0.000 1.206 79 A HN 0.674 nan 8.150 nan 0.000 0.470 80 P HA -0.104 nan 4.420 nan 0.000 0.218 80 P C -0.026 177.308 177.300 0.057 0.000 1.149 80 P CA 1.153 64.281 63.100 0.048 0.000 0.817 80 P CB 0.060 31.773 31.700 0.021 0.000 0.785 81 N N 0.810 119.551 118.700 0.069 0.000 2.851 81 N HA 0.148 4.887 4.740 -0.000 0.000 0.248 81 N C -1.749 173.832 175.510 0.118 0.000 1.221 81 N CA -1.625 51.468 53.050 0.072 0.000 0.847 81 N CB 1.243 39.759 38.487 0.049 0.000 1.150 81 N HN 0.079 nan 8.380 nan 0.000 0.507 82 P HA -0.245 nan 4.420 nan 0.000 0.216 82 P C 0.353 177.806 177.300 0.254 0.000 1.154 82 P CA 1.397 64.683 63.100 0.310 0.000 0.865 82 P CB 0.399 32.217 31.700 0.196 0.000 0.789 83 D N 0.404 120.888 120.400 0.140 0.000 2.192 83 D HA -0.155 4.485 4.640 -0.000 0.000 0.189 83 D C 1.113 177.449 176.300 0.059 0.000 1.007 83 D CA 1.251 55.309 54.000 0.096 0.000 0.859 83 D CB -0.148 40.686 40.800 0.057 0.000 0.936 83 D HN 0.336 nan 8.370 nan 0.000 0.447 84 I N 0.309 120.897 120.570 0.029 0.000 2.534 84 I HA 0.116 4.286 4.170 -0.000 0.000 0.286 84 I C -0.252 175.860 176.117 -0.009 0.000 1.094 84 I CA -0.361 60.917 61.300 -0.035 0.000 1.055 84 I CB 2.232 40.203 38.000 -0.048 0.000 1.225 84 I HN -0.131 nan 8.210 nan 0.000 0.435 85 T N 1.608 116.128 114.554 -0.056 0.000 2.926 85 T HA 0.882 5.231 4.350 -0.000 0.000 0.289 85 T C -0.367 174.350 174.700 0.028 0.000 1.054 85 T CA -0.826 61.232 62.100 -0.070 0.000 1.015 85 T CB 2.114 70.824 68.868 -0.264 0.000 1.167 85 T HN 0.580 nan 8.240 nan 0.000 0.526 86 S N -0.713 114.986 115.700 -0.002 0.000 2.543 86 S HA 0.495 4.965 4.470 -0.000 0.000 0.274 86 S C -0.746 173.878 174.600 0.041 0.000 1.149 86 S CA -0.825 57.385 58.200 0.016 0.000 0.866 86 S CB 1.918 65.028 63.200 -0.150 0.000 1.111 86 S HN 0.704 nan 8.310 nan 0.000 0.457 87 D N 0.405 120.846 120.400 0.068 0.000 2.469 87 D HA 0.406 5.046 4.640 -0.000 0.000 0.240 87 D C 0.878 177.229 176.300 0.084 0.000 1.087 87 D CA 1.290 55.312 54.000 0.038 0.000 0.876 87 D CB 1.213 41.995 40.800 -0.030 0.000 1.160 87 D HN 1.146 nan 8.370 nan 0.000 0.497 88 G N 0.964 109.796 108.800 0.053 0.000 2.354 88 G HA2 0.109 4.069 3.960 -0.000 0.000 0.582 88 G HA3 0.109 4.069 3.960 -0.000 0.000 0.582 88 G C -1.238 173.536 174.900 -0.211 0.000 1.316 88 G CA -0.404 44.744 45.100 0.080 0.000 0.995 88 G HN 0.186 nan 8.290 nan 0.000 0.573 89 L N -2.323 118.871 121.223 -0.050 0.000 2.257 89 L HA 1.082 5.422 4.340 -0.000 0.000 0.257 89 L C 0.058 176.995 176.870 0.111 0.000 1.033 89 L CA -0.758 54.017 54.840 -0.108 0.000 0.835 89 L CB 1.885 43.839 42.059 -0.174 0.000 1.398 89 L HN 2.331 nan 8.230 nan 0.000 0.429 90 A N 0.504 123.402 122.820 0.129 0.000 2.594 90 A HA 0.647 4.967 4.320 -0.000 0.000 0.296 90 A C -1.784 175.973 177.584 0.288 0.000 1.061 90 A CA -0.390 51.801 52.037 0.257 0.000 0.689 90 A CB 1.359 20.415 19.000 0.094 0.000 1.280 90 A HN 0.730 nan 8.150 nan 0.000 0.406 91 F N 2.672 122.748 119.950 0.209 0.000 2.404 91 F HA 0.771 5.298 4.527 -0.000 0.000 0.339 91 F C -0.594 175.259 175.800 0.088 0.000 1.105 91 F CA -0.320 57.641 58.000 -0.065 0.000 1.087 91 F CB 0.994 39.970 39.000 -0.041 0.000 1.143 91 F HN 0.793 nan 8.300 nan 0.000 0.491 92 Y N 3.769 123.377 120.300 -1.153 0.000 2.638 92 Y HA 0.762 5.312 4.550 -0.000 0.000 0.335 92 Y C -2.503 172.926 175.900 -0.784 0.000 1.155 92 Y CA -2.300 55.366 58.100 -0.723 0.000 1.046 92 Y CB 0.839 39.064 38.460 -0.391 0.000 1.303 92 Y HN 0.493 nan 8.280 nan 0.000 0.460 93 L N 2.562 123.518 121.223 -0.446 0.000 2.356 93 L HA 0.983 5.323 4.340 -0.000 0.000 0.277 93 L C -0.189 176.589 176.870 -0.153 0.000 0.996 93 L CA -0.424 54.173 54.840 -0.404 0.000 0.822 93 L CB 1.684 43.619 42.059 -0.206 0.000 1.256 93 L HN 1.054 nan 8.230 nan 0.000 0.413 94 A N 3.529 126.240 122.820 -0.181 0.000 2.567 94 A HA 0.972 5.291 4.320 -0.000 0.000 0.289 94 A C -2.937 174.619 177.584 -0.047 0.000 1.177 94 A CA -1.641 50.383 52.037 -0.020 0.000 0.694 94 A CB 1.332 20.412 19.000 0.134 0.000 1.292 94 A HN 0.424 nan 8.150 nan 0.000 0.425 95 P HA 0.211 nan 4.420 nan 0.000 0.269 95 P C -1.991 175.290 177.300 -0.031 0.000 1.209 95 P CA -0.736 62.359 63.100 -0.008 0.000 0.776 95 P CB 0.252 31.956 31.700 0.006 0.000 0.876 96 P HA -0.223 nan 4.420 nan 0.000 0.218 96 P C 0.590 177.852 177.300 -0.063 0.000 1.150 96 P CA 1.705 64.772 63.100 -0.055 0.000 0.841 96 P CB -0.164 31.505 31.700 -0.051 0.000 0.784 97 D N -2.110 118.262 120.400 -0.046 0.000 2.402 97 D HA 0.018 4.658 4.640 -0.000 0.000 0.216 97 D C 0.011 176.292 176.300 -0.033 0.000 1.128 97 D CA -0.060 53.913 54.000 -0.044 0.000 0.833 97 D CB -0.595 40.180 40.800 -0.042 0.000 0.971 97 D HN 0.103 nan 8.370 nan 0.000 0.503 98 S N 0.163 115.848 115.700 -0.025 0.000 2.563 98 S HA 0.114 4.584 4.470 -0.000 0.000 0.284 98 S C 0.239 174.825 174.600 -0.023 0.000 1.331 98 S CA -0.252 57.937 58.200 -0.018 0.000 1.047 98 S CB 1.314 64.514 63.200 0.001 0.000 0.859 98 S HN 0.096 nan 8.310 nan 0.000 0.514 99 Q N 1.129 120.908 119.800 -0.034 0.000 2.445 99 Q HA 0.523 4.862 4.340 -0.000 0.000 0.281 99 Q C -0.087 175.878 176.000 -0.059 0.000 1.101 99 Q CA -0.840 54.941 55.803 -0.036 0.000 0.833 99 Q CB 1.473 30.193 28.738 -0.030 0.000 1.416 99 Q HN 0.814 nan 8.270 nan 0.000 0.451 100 I N 3.738 124.274 120.570 -0.057 0.000 2.556 100 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 100 I C -1.620 174.460 176.117 -0.062 0.000 1.114 100 I CA -1.310 59.942 61.300 -0.080 0.000 1.418 100 I CB 0.307 38.271 38.000 -0.059 0.000 1.394 100 I HN 0.243 nan 8.210 nan 0.000 0.552 101 P HA 0.010 nan 4.420 nan 0.000 0.270 101 P C -0.445 176.845 177.300 -0.017 0.000 1.223 101 P CA -0.330 62.742 63.100 -0.046 0.000 0.785 101 P CB 0.862 32.527 31.700 -0.057 0.000 0.923 102 S N 0.218 115.913 115.700 -0.008 0.000 2.545 102 S HA 0.581 5.051 4.470 -0.000 0.000 0.275 102 S C 0.375 174.988 174.600 0.022 0.000 1.299 102 S CA 0.828 59.030 58.200 0.004 0.000 1.048 102 S CB -0.679 62.521 63.200 -0.001 0.000 0.938 102 S HN 0.999 nan 8.310 nan 0.000 0.496 103 G N 2.938 111.757 108.800 0.031 0.000 2.396 103 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.254 103 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.254 103 G C -0.665 174.284 174.900 0.082 0.000 1.248 103 G CA -0.420 44.711 45.100 0.052 0.000 1.033 103 G HN 1.056 nan 8.290 nan 0.000 0.502 104 S N -0.076 115.695 115.700 0.119 0.000 2.503 104 S HA 0.359 4.829 4.470 -0.000 0.000 0.317 104 S C 0.776 175.521 174.600 0.241 0.000 1.162 104 S CA 0.489 58.777 58.200 0.146 0.000 1.124 104 S CB 1.220 64.512 63.200 0.153 0.000 1.207 104 S HN 1.527 nan 8.310 nan 0.000 0.538 105 V N 3.390 123.415 119.914 0.186 0.000 3.346 105 V HA 0.067 4.187 4.120 -0.000 0.000 0.309 105 V C 1.408 177.581 176.094 0.132 0.000 1.457 105 V CA 0.392 62.846 62.300 0.257 0.000 1.069 105 V CB 0.217 32.133 31.823 0.154 0.000 0.944 105 V HN 0.773 nan 8.190 nan 0.000 0.449 106 S N 1.382 117.115 115.700 0.055 0.000 2.368 106 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 106 S C 1.722 176.288 174.600 -0.056 0.000 1.029 106 S CA 1.825 60.025 58.200 0.000 0.000 0.988 106 S CB -0.165 63.045 63.200 0.016 0.000 0.838 106 S HN 0.855 nan 8.310 nan 0.000 0.462 107 K N 0.152 120.460 120.400 -0.153 0.000 2.555 107 K HA -0.001 4.319 4.320 -0.000 0.000 0.193 107 K C 0.092 176.650 176.600 -0.071 0.000 1.032 107 K CA 0.891 57.094 56.287 -0.140 0.000 1.004 107 K CB -0.227 32.171 32.500 -0.169 0.000 0.804 107 K HN 0.353 nan 8.250 nan 0.000 0.496 108 Y N 1.214 121.637 120.300 0.206 0.000 2.636 108 Y HA 0.360 4.910 4.550 -0.000 0.000 0.260 108 Y C 0.182 176.126 175.900 0.072 0.000 1.177 108 Y CA -1.329 56.884 58.100 0.188 0.000 1.209 108 Y CB 0.138 38.705 38.460 0.179 0.000 1.166 108 Y HN -0.059 nan 8.280 nan 0.000 0.531 109 L N -0.078 121.212 121.223 0.112 0.000 3.839 109 L HA -0.351 3.989 4.340 -0.000 0.000 0.416 109 L C 1.349 178.153 176.870 -0.110 0.000 1.195 109 L CA 1.035 55.863 54.840 -0.019 0.000 0.946 109 L CB -2.023 40.029 42.059 -0.012 0.000 1.891 109 L HN 0.621 nan 8.230 nan 0.000 0.963 110 G N -0.902 107.860 108.800 -0.064 0.000 2.155 110 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 110 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 110 G C 0.673 175.402 174.900 -0.285 0.000 0.983 110 G CA 0.581 45.603 45.100 -0.130 0.000 0.676 110 G HN 0.463 nan 8.290 nan 0.000 0.528 111 L N -2.123 118.857 121.223 -0.405 0.000 2.515 111 L HA 0.485 4.824 4.340 -0.000 0.000 0.223 111 L C 0.656 176.898 176.870 -1.046 0.000 1.079 111 L CA 0.238 54.552 54.840 -0.876 0.000 0.857 111 L CB 0.144 41.433 42.059 -1.283 0.000 1.050 111 L HN 0.160 nan 8.230 nan 0.000 0.476 112 F N -2.002 117.866 119.950 -0.136 0.000 2.629 112 F HA 0.375 4.901 4.527 -0.000 0.000 0.316 112 F C 0.944 176.530 175.800 -0.357 0.000 1.081 112 F CA -0.915 56.907 58.000 -0.297 0.000 0.954 112 F CB 0.643 39.348 39.000 -0.492 0.000 1.337 112 F HN -0.340 nan 8.300 nan 0.000 0.474 113 N N 0.256 118.848 118.700 -0.179 0.000 2.395 113 N HA 0.028 4.768 4.740 -0.000 0.000 0.175 113 N C -0.533 174.755 175.510 -0.369 0.000 1.029 113 N CA 0.565 53.520 53.050 -0.158 0.000 0.897 113 N CB -0.151 38.288 38.487 -0.080 0.000 0.991 113 N HN 0.861 nan 8.380 nan 0.000 0.441 114 N N -2.924 115.337 118.700 -0.732 0.000 3.277 114 N HA 0.223 4.963 4.740 -0.000 0.000 0.278 114 N C 0.014 175.005 175.510 -0.865 0.000 1.544 114 N CA -0.549 52.071 53.050 -0.718 0.000 0.869 114 N CB 0.415 38.759 38.487 -0.238 0.000 1.584 114 N HN -0.368 nan 8.380 nan 0.000 0.564 115 S N -0.817 114.626 115.700 -0.428 0.000 2.402 115 S HA -0.035 4.435 4.470 -0.000 0.000 0.229 115 S C 0.235 174.560 174.600 -0.459 0.000 1.021 115 S CA 0.365 58.286 58.200 -0.465 0.000 0.974 115 S CB -1.101 61.998 63.200 -0.167 0.000 0.800 115 S HN 0.536 nan 8.310 nan 0.000 0.484 116 N N 1.362 119.866 118.700 -0.326 0.000 2.236 116 N HA -0.029 4.710 4.740 -0.000 0.000 0.238 116 N C -0.428 174.873 175.510 -0.348 0.000 1.244 116 N CA 0.147 53.037 53.050 -0.265 0.000 0.848 116 N CB 0.178 38.553 38.487 -0.186 0.000 1.094 116 N HN 0.040 nan 8.380 nan 0.000 0.448 117 S N 0.386 115.938 115.700 -0.247 0.000 2.438 117 S HA 0.028 4.498 4.470 -0.000 0.000 0.227 117 S C -0.654 173.863 174.600 -0.139 0.000 1.265 117 S CA -0.490 57.570 58.200 -0.234 0.000 1.265 117 S CB -0.298 62.797 63.200 -0.174 0.000 0.987 117 S HN 0.488 nan 8.310 nan 0.000 0.502 118 D N 1.761 122.085 120.400 -0.127 0.000 2.472 118 D HA -0.006 4.634 4.640 -0.000 0.000 0.248 118 D C 1.240 177.522 176.300 -0.030 0.000 1.174 118 D CA 0.392 54.352 54.000 -0.066 0.000 0.883 118 D CB 0.839 41.606 40.800 -0.054 0.000 1.149 118 D HN 0.218 nan 8.370 nan 0.000 0.488 119 S N 2.530 118.218 115.700 -0.019 0.000 2.465 119 S HA -0.183 4.287 4.470 -0.000 0.000 0.241 119 S C 1.870 176.480 174.600 0.017 0.000 1.000 119 S CA 1.497 59.698 58.200 0.001 0.000 0.964 119 S CB -0.070 63.130 63.200 0.000 0.000 0.763 119 S HN 0.418 nan 8.310 nan 0.000 0.512 120 S N 1.036 116.743 115.700 0.012 0.000 2.470 120 S HA 0.082 4.551 4.470 -0.000 0.000 0.225 120 S C 1.709 176.327 174.600 0.030 0.000 1.006 120 S CA 0.313 58.525 58.200 0.020 0.000 0.934 120 S CB -0.412 62.794 63.200 0.010 0.000 0.778 120 S HN 0.624 nan 8.310 nan 0.000 0.517 121 N N 1.770 120.494 118.700 0.040 0.000 2.149 121 N HA -0.086 4.654 4.740 -0.000 0.000 0.188 121 N C -0.019 175.530 175.510 0.065 0.000 1.019 121 N CA 0.686 53.776 53.050 0.067 0.000 0.857 121 N CB -0.361 38.213 38.487 0.145 0.000 0.997 121 N HN 0.504 nan 8.380 nan 0.000 0.426 122 Q N -0.265 119.576 119.800 0.069 0.000 2.454 122 Q HA -0.179 4.161 4.340 -0.000 0.000 0.341 122 Q C -0.966 175.080 176.000 0.076 0.000 1.437 122 Q CA 0.467 56.312 55.803 0.071 0.000 0.935 122 Q CB -1.760 27.016 28.738 0.064 0.000 1.164 122 Q HN 0.460 nan 8.270 nan 0.000 0.373 123 I N 0.556 121.187 120.570 0.103 0.000 2.512 123 I HA 0.398 4.567 4.170 -0.000 0.000 0.287 123 I C -0.178 176.018 176.117 0.132 0.000 1.069 123 I CA -1.032 60.335 61.300 0.112 0.000 1.056 123 I CB 2.134 40.189 38.000 0.092 0.000 1.229 123 I HN -0.081 nan 8.210 nan 0.000 0.429 124 V N 5.446 125.426 119.914 0.111 0.000 2.384 124 V HA 0.840 4.960 4.120 -0.000 0.000 0.287 124 V C 0.044 176.225 176.094 0.144 0.000 1.020 124 V CA -0.299 62.075 62.300 0.124 0.000 0.850 124 V CB 1.468 33.355 31.823 0.106 0.000 0.987 124 V HN 0.836 nan 8.190 nan 0.000 0.436 125 A N 4.299 127.220 122.820 0.167 0.000 2.515 125 A HA 0.924 5.244 4.320 -0.000 0.000 0.296 125 A C -1.350 176.345 177.584 0.185 0.000 1.094 125 A CA -0.616 51.527 52.037 0.176 0.000 0.718 125 A CB 2.282 21.352 19.000 0.117 0.000 1.307 125 A HN 0.592 nan 8.150 nan 0.000 0.408 126 V N 2.360 122.403 119.914 0.216 0.000 2.376 126 V HA 0.368 4.487 4.120 -0.000 0.000 0.287 126 V C -0.097 175.964 176.094 -0.055 0.000 1.015 126 V CA -0.390 61.968 62.300 0.096 0.000 0.834 126 V CB 1.150 33.086 31.823 0.187 0.000 1.001 126 V HN 1.008 nan 8.190 nan 0.000 0.428 127 E N 4.292 124.394 120.200 -0.165 0.000 2.248 127 E HA 0.590 4.940 4.350 -0.000 0.000 0.272 127 E C -1.518 174.754 176.600 -0.547 0.000 1.008 127 E CA -0.657 55.638 56.400 -0.176 0.000 0.856 127 E CB 1.610 31.316 29.700 0.009 0.000 1.120 127 E HN 0.425 nan 8.360 nan 0.000 0.397 128 F N 1.554 121.465 119.950 -0.066 0.000 2.453 128 F HA 0.204 4.731 4.527 -0.000 0.000 0.358 128 F C -0.184 175.689 175.800 0.121 0.000 1.129 128 F CA -0.930 56.964 58.000 -0.177 0.000 1.200 128 F CB 1.033 39.775 39.000 -0.429 0.000 1.431 128 F HN 0.424 nan 8.300 nan 0.000 0.503 129 D N 1.560 122.035 120.400 0.126 0.000 2.317 129 D HA 0.089 4.728 4.640 -0.000 0.000 0.252 129 D C 1.140 177.558 176.300 0.196 0.000 1.174 129 D CA 0.286 54.312 54.000 0.044 0.000 0.866 129 D CB 1.476 42.027 40.800 -0.414 0.000 1.127 129 D HN 0.559 nan 8.370 nan 0.000 0.467 130 T N 1.008 115.676 114.554 0.192 0.000 3.022 130 T HA 0.046 4.396 4.350 -0.000 0.000 0.250 130 T C 0.475 175.231 174.700 0.095 0.000 1.060 130 T CA -0.071 62.060 62.100 0.053 0.000 1.013 130 T CB -0.023 68.749 68.868 -0.160 0.000 0.982 130 T HN 0.332 nan 8.240 nan 0.000 0.508 131 Y N 2.106 122.425 120.300 0.031 0.000 2.328 131 Y HA 0.496 5.046 4.550 -0.000 0.000 0.336 131 Y C -0.512 175.391 175.900 0.006 0.000 0.960 131 Y CA -2.569 55.471 58.100 -0.099 0.000 1.134 131 Y CB 1.174 39.556 38.460 -0.129 0.000 1.166 131 Y HN 0.204 nan 8.280 nan 0.000 0.464 132 F N 2.645 122.349 119.950 -0.409 0.000 2.772 132 F HA 0.699 5.225 4.527 -0.000 0.000 0.316 132 F C 0.231 175.843 175.800 -0.312 0.000 1.114 132 F CA -0.792 57.071 58.000 -0.228 0.000 1.191 132 F CB -0.632 38.322 39.000 -0.077 0.000 1.065 132 F HN 0.465 nan 8.300 nan 0.000 0.534 133 A N 0.715 123.030 122.820 -0.842 0.000 2.492 133 A HA 0.177 4.496 4.320 -0.000 0.000 0.254 133 A C 0.560 178.128 177.584 -0.026 0.000 1.091 133 A CA -0.103 51.730 52.037 -0.340 0.000 0.768 133 A CB -0.184 18.588 19.000 -0.380 0.000 1.028 133 A HN 0.538 nan 8.150 nan 0.000 0.498 134 H N 1.625 120.627 119.070 -0.114 0.000 2.545 134 H HA -0.044 4.512 4.556 -0.000 0.000 0.282 134 H C 2.242 177.498 175.328 -0.120 0.000 1.020 134 H CA 1.552 57.521 56.048 -0.131 0.000 1.243 134 H CB 0.180 29.884 29.762 -0.097 0.000 1.377 134 H HN 0.657 nan 8.280 nan 0.000 0.581 135 S N -0.970 114.759 115.700 0.049 0.000 2.406 135 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 135 S C 1.183 175.635 174.600 -0.246 0.000 1.020 135 S CA 1.026 59.195 58.200 -0.053 0.000 0.965 135 S CB 0.017 63.237 63.200 0.035 0.000 0.798 135 S HN 0.463 nan 8.310 nan 0.000 0.488 136 Y N 0.243 120.499 120.300 -0.074 0.000 2.526 136 Y HA 0.358 4.908 4.550 -0.000 0.000 0.265 136 Y C -0.106 175.565 175.900 -0.382 0.000 1.092 136 Y CA -0.322 57.689 58.100 -0.148 0.000 1.277 136 Y CB 0.622 38.991 38.460 -0.152 0.000 1.228 136 Y HN 0.175 nan 8.280 nan 0.000 0.507 137 D N 0.437 120.592 120.400 -0.409 0.000 2.749 137 D HA 0.180 4.820 4.640 -0.000 0.000 0.338 137 D C -2.039 173.490 176.300 -1.286 0.000 1.236 137 D CA -1.468 51.766 54.000 -1.277 0.000 0.845 137 D CB 0.620 40.999 40.800 -0.701 0.000 1.080 137 D HN 0.070 nan 8.370 nan 0.000 0.497 138 P HA -0.141 nan 4.420 nan 0.000 0.223 138 P C 0.966 177.976 177.300 -0.482 0.000 1.144 138 P CA 0.817 63.591 63.100 -0.543 0.000 0.783 138 P CB -0.062 31.542 31.700 -0.160 0.000 0.771 139 W N -0.706 120.492 121.300 -0.170 0.000 3.139 139 W HA 0.329 4.988 4.660 -0.001 0.000 0.260 139 W C -0.216 176.204 176.519 -0.164 0.000 1.312 139 W CA -0.548 56.727 57.345 -0.118 0.000 1.606 139 W CB -1.055 28.384 29.460 -0.036 0.000 1.118 139 W HN -0.267 nan 8.180 nan 0.000 0.675 140 D N 2.917 123.035 120.400 -0.472 0.000 2.264 140 D HA 0.202 4.842 4.640 -0.000 0.000 0.249 140 D C -1.856 174.237 176.300 -0.345 0.000 1.070 140 D CA -1.885 51.935 54.000 -0.300 0.000 0.912 140 D CB 1.140 41.834 40.800 -0.176 0.000 1.193 140 D HN -0.157 nan 8.370 nan 0.000 0.427 141 P HA 0.086 nan 4.420 nan 0.000 0.274 141 P C -0.077 176.843 177.300 -0.633 0.000 1.256 141 P CA -0.479 62.276 63.100 -0.576 0.000 0.795 141 P CB 0.783 31.953 31.700 -0.883 0.000 1.038 142 N N 0.707 119.000 118.700 -0.678 0.000 3.259 142 N HA 0.125 4.865 4.740 -0.000 0.000 0.308 142 N C -0.757 174.184 175.510 -0.948 0.000 1.334 142 N CA 0.248 53.022 53.050 -0.459 0.000 1.202 142 N CB -0.894 37.525 38.487 -0.113 0.000 1.485 142 N HN 0.407 nan 8.380 nan 0.000 0.549 143 Y N -3.061 116.448 120.300 -1.318 0.000 2.765 143 Y HA 0.346 4.896 4.550 -0.000 0.000 0.350 143 Y C -0.446 174.976 175.900 -0.797 0.000 1.196 143 Y CA -1.440 55.778 58.100 -1.470 0.000 1.119 143 Y CB 0.277 38.437 38.460 -0.501 0.000 1.368 143 Y HN -0.208 nan 8.280 nan 0.000 0.463 144 R N 2.399 122.849 120.500 -0.084 0.000 2.623 144 R HA 0.349 4.689 4.340 -0.000 0.000 0.271 144 R C -0.387 176.213 176.300 0.500 0.000 1.043 144 R CA 0.151 56.427 56.100 0.293 0.000 1.083 144 R CB 0.098 30.433 30.300 0.058 0.000 0.974 144 R HN 0.905 nan 8.270 nan 0.000 0.436 145 H N 0.133 119.506 119.070 0.505 0.000 3.017 145 H HA 0.405 4.961 4.556 -0.000 0.000 0.346 145 H C -1.027 174.554 175.328 0.421 0.000 1.286 145 H CA -1.024 55.325 56.048 0.502 0.000 1.120 145 H CB 1.183 31.174 29.762 0.382 0.000 1.860 145 H HN 0.372 nan 8.280 nan 0.000 0.542 146 I N 1.291 122.032 120.570 0.284 0.000 2.355 146 I HA 0.503 4.672 4.170 -0.000 0.000 0.288 146 I C 0.277 176.435 176.117 0.069 0.000 0.999 146 I CA -0.388 60.862 61.300 -0.083 0.000 1.163 146 I CB 1.698 39.566 38.000 -0.219 0.000 1.316 146 I HN 0.768 nan 8.210 nan 0.000 0.454 147 G N 6.480 115.301 108.800 0.034 0.000 2.533 147 G HA2 0.749 4.708 3.960 -0.000 0.000 0.304 147 G HA3 0.749 4.708 3.960 -0.000 0.000 0.304 147 G C -1.023 173.909 174.900 0.054 0.000 1.263 147 G CA -0.575 44.603 45.100 0.130 0.000 0.964 147 G HN 0.441 nan 8.290 nan 0.000 0.479 148 I N 1.678 122.298 120.570 0.084 0.000 2.312 148 I HA 0.250 4.419 4.170 -0.000 0.000 0.290 148 I C -0.873 175.301 176.117 0.095 0.000 1.008 148 I CA -0.673 60.680 61.300 0.088 0.000 1.226 148 I CB 1.572 39.627 38.000 0.093 0.000 1.371 148 I HN 0.237 nan 8.210 nan 0.000 0.468 149 D N 6.252 126.718 120.400 0.110 0.000 2.185 149 D HA 0.487 5.126 4.640 -0.000 0.000 0.247 149 D C -0.608 175.757 176.300 0.109 0.000 1.027 149 D CA -0.261 53.801 54.000 0.104 0.000 0.861 149 D CB 2.899 43.795 40.800 0.160 0.000 1.202 149 D HN 0.046 nan 8.370 nan 0.000 0.453 150 V N 3.288 123.238 119.914 0.060 0.000 2.439 150 V HA 0.197 4.317 4.120 -0.000 0.000 0.277 150 V C 0.190 176.295 176.094 0.019 0.000 1.008 150 V CA -0.794 61.543 62.300 0.061 0.000 0.846 150 V CB 0.809 32.659 31.823 0.046 0.000 1.031 150 V HN 0.562 nan 8.190 nan 0.000 0.441 151 N N 2.518 121.268 118.700 0.083 0.000 2.863 151 N HA -0.159 4.581 4.740 -0.000 0.000 0.245 151 N C 0.299 175.685 175.510 -0.206 0.000 1.001 151 N CA 1.621 54.703 53.050 0.054 0.000 0.901 151 N CB -0.589 37.900 38.487 0.004 0.000 1.124 151 N HN 1.075 nan 8.380 nan 0.000 0.582 152 G N -0.790 107.732 108.800 -0.463 0.000 2.703 152 G HA2 0.525 4.484 3.960 -0.000 0.000 0.294 152 G HA3 0.525 4.484 3.960 -0.000 0.000 0.294 152 G C 0.493 174.793 174.900 -0.999 0.000 1.451 152 G CA -0.534 43.942 45.100 -1.039 0.000 0.869 152 G HN 0.026 nan 8.290 nan 0.000 0.516 153 I N -0.069 119.754 120.570 -1.245 0.000 2.756 153 I HA 0.068 4.237 4.170 -0.000 0.000 0.262 153 I C 1.292 177.120 176.117 -0.482 0.000 1.225 153 I CA 0.678 61.608 61.300 -0.615 0.000 1.472 153 I CB 0.079 37.734 38.000 -0.575 0.000 1.094 153 I HN 0.584 nan 8.210 nan 0.000 0.454 154 E N 1.100 121.007 120.200 -0.488 0.000 1.865 154 E HA 0.109 4.459 4.350 -0.000 0.000 0.269 154 E C -0.170 176.393 176.600 -0.061 0.000 1.177 154 E CA -0.231 56.046 56.400 -0.206 0.000 0.932 154 E CB 0.156 29.771 29.700 -0.141 0.000 1.066 154 E HN 0.274 nan 8.360 nan 0.000 0.405 155 S N 4.448 120.173 115.700 0.041 0.000 2.702 155 S HA -0.110 4.360 4.470 -0.000 0.000 0.314 155 S C 1.465 176.095 174.600 0.050 0.000 1.244 155 S CA 0.034 58.277 58.200 0.071 0.000 1.058 155 S CB 0.132 63.419 63.200 0.144 0.000 0.783 155 S HN 0.683 nan 8.310 nan 0.000 0.503 156 I N -0.797 119.798 120.570 0.042 0.000 3.176 156 I HA 0.259 4.429 4.170 -0.000 0.000 0.275 156 I C 0.521 176.670 176.117 0.054 0.000 1.298 156 I CA 0.710 62.033 61.300 0.038 0.000 1.445 156 I CB -0.070 37.950 38.000 0.035 0.000 1.075 156 I HN 0.432 nan 8.210 nan 0.000 0.482 157 K N 0.917 121.359 120.400 0.071 0.000 2.600 157 K HA 0.369 4.689 4.320 -0.000 0.000 0.262 157 K C -0.843 175.821 176.600 0.107 0.000 0.935 157 K CA -0.157 56.179 56.287 0.081 0.000 0.866 157 K CB 1.539 34.084 32.500 0.074 0.000 1.354 157 K HN 0.300 nan 8.250 nan 0.000 0.419 158 T N -1.193 113.435 114.554 0.123 0.000 2.812 158 T HA 0.772 5.122 4.350 -0.000 0.000 0.294 158 T C -1.404 173.414 174.700 0.196 0.000 1.159 158 T CA -0.776 61.429 62.100 0.176 0.000 1.008 158 T CB 1.735 70.717 68.868 0.189 0.000 1.289 158 T HN 0.382 nan 8.240 nan 0.000 0.514 159 V N 0.093 120.162 119.914 0.258 0.000 3.012 159 V HA 0.557 4.677 4.120 -0.000 0.000 0.307 159 V C -1.029 175.256 176.094 0.317 0.000 1.166 159 V CA -0.859 61.588 62.300 0.246 0.000 0.974 159 V CB 2.117 34.072 31.823 0.220 0.000 1.040 159 V HN 1.227 nan 8.190 nan 0.000 0.428 160 Q N 3.695 123.587 119.800 0.153 0.000 2.313 160 Q HA 0.196 4.536 4.340 -0.000 0.000 0.266 160 Q C -1.512 174.598 176.000 0.184 0.000 0.989 160 Q CA -0.150 55.644 55.803 -0.015 0.000 0.890 160 Q CB 0.762 29.191 28.738 -0.514 0.000 1.200 160 Q HN 0.708 nan 8.270 nan 0.000 0.396 161 W N 5.815 127.075 121.300 -0.066 0.000 2.471 161 W HA 0.330 4.989 4.660 -0.001 0.000 0.318 161 W C -1.470 174.865 176.519 -0.306 0.000 1.034 161 W CA -1.224 55.864 57.345 -0.428 0.000 1.224 161 W CB 1.244 30.610 29.460 -0.158 0.000 1.335 161 W HN 0.559 nan 8.180 nan 0.000 0.452 162 D N 6.316 126.338 120.400 -0.630 0.000 2.522 162 D HA -0.002 4.638 4.640 -0.000 0.000 0.218 162 D C -0.086 176.033 176.300 -0.302 0.000 1.149 162 D CA -0.076 53.768 54.000 -0.260 0.000 0.981 162 D CB -0.306 40.578 40.800 0.141 0.000 1.041 162 D HN 0.491 nan 8.370 nan 0.000 0.518 163 W N 2.977 123.724 121.300 -0.921 0.000 2.293 163 W HA 0.041 4.701 4.660 0.000 0.000 0.342 163 W C -0.591 175.717 176.519 -0.351 0.000 1.274 163 W CA -0.046 56.853 57.345 -0.744 0.000 1.290 163 W CB 0.330 29.195 29.460 -0.992 0.000 1.176 163 W HN 0.197 nan 8.180 nan 0.000 0.570 164 I N 6.885 126.841 120.570 -1.023 0.000 2.382 164 I HA -0.005 4.165 4.170 -0.000 0.000 0.285 164 I C 0.127 175.433 176.117 -1.351 0.000 1.007 164 I CA -1.085 59.517 61.300 -1.164 0.000 1.142 164 I CB 0.870 38.210 38.000 -1.101 0.000 1.289 164 I HN 0.425 nan 8.210 nan 0.000 0.453 165 N N 5.240 122.969 118.700 -1.618 0.000 2.386 165 N HA 0.004 4.744 4.740 -0.000 0.000 0.273 165 N C 1.080 176.379 175.510 -0.353 0.000 1.331 165 N CA 1.640 54.069 53.050 -1.035 0.000 0.891 165 N CB 0.404 38.446 38.487 -0.742 0.000 1.139 165 N HN 0.909 nan 8.380 nan 0.000 0.487 166 G N 1.814 110.579 108.800 -0.059 0.000 2.179 166 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.260 166 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.260 166 G C 0.500 175.396 174.900 -0.006 0.000 0.977 166 G CA 0.217 45.326 45.100 0.014 0.000 0.641 166 G HN 0.922 nan 8.290 nan 0.000 0.533 167 G N -0.541 108.207 108.800 -0.087 0.000 2.432 167 G HA2 0.557 4.517 3.960 -0.000 0.000 0.257 167 G HA3 0.557 4.517 3.960 -0.000 0.000 0.257 167 G C 0.202 175.207 174.900 0.174 0.000 1.238 167 G CA 0.222 45.294 45.100 -0.046 0.000 0.838 167 G HN 0.925 nan 8.290 nan 0.000 0.547 168 V N 1.759 121.771 119.914 0.164 0.000 2.455 168 V HA 0.483 4.603 4.120 -0.000 0.000 0.273 168 V C 0.843 177.021 176.094 0.140 0.000 1.045 168 V CA -0.288 62.092 62.300 0.133 0.000 0.976 168 V CB 0.572 32.453 31.823 0.097 0.000 0.993 168 V HN 0.975 nan 8.190 nan 0.000 0.475 169 A N 5.448 128.178 122.820 -0.149 0.000 2.312 169 A HA 0.802 5.122 4.320 -0.000 0.000 0.326 169 A C -0.978 176.387 177.584 -0.366 0.000 1.172 169 A CA -0.467 51.278 52.037 -0.486 0.000 0.821 169 A CB 0.827 19.122 19.000 -1.175 0.000 1.166 169 A HN 0.788 nan 8.150 nan 0.000 0.493 170 F N 2.378 122.104 119.950 -0.375 0.000 2.427 170 F HA 0.647 5.174 4.527 0.001 0.000 0.348 170 F C 0.063 175.679 175.800 -0.307 0.000 1.125 170 F CA -0.302 57.539 58.000 -0.265 0.000 0.989 170 F CB 1.089 40.005 39.000 -0.140 0.000 1.165 170 F HN 0.731 nan 8.300 nan 0.000 0.442 171 A N 3.841 126.037 122.820 -1.041 0.000 2.355 171 A HA 0.748 5.068 4.320 -0.000 0.000 0.317 171 A C -0.637 176.327 177.584 -1.034 0.000 1.094 171 A CA -0.358 51.153 52.037 -0.876 0.000 0.764 171 A CB 1.272 19.874 19.000 -0.663 0.000 1.230 171 A HN 0.779 nan 8.150 nan 0.000 0.448 172 T N -0.382 113.834 114.554 -0.565 0.000 2.876 172 T HA 0.757 5.107 4.350 -0.000 0.000 0.289 172 T C -0.734 173.898 174.700 -0.114 0.000 1.014 172 T CA -0.455 61.438 62.100 -0.346 0.000 0.986 172 T CB 0.776 69.510 68.868 -0.224 0.000 1.021 172 T HN 0.464 nan 8.240 nan 0.000 0.458 173 I N 2.486 123.044 120.570 -0.020 0.000 2.466 173 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 173 I C -0.335 175.824 176.117 0.071 0.000 1.026 173 I CA -0.683 60.666 61.300 0.082 0.000 1.078 173 I CB 2.456 40.559 38.000 0.171 0.000 1.249 173 I HN 0.728 nan 8.210 nan 0.000 0.429 174 T N 4.785 119.333 114.554 -0.010 0.000 2.861 174 T HA 0.373 4.723 4.350 -0.000 0.000 0.287 174 T C -1.348 173.203 174.700 -0.248 0.000 1.003 174 T CA -0.509 61.507 62.100 -0.140 0.000 0.977 174 T CB 1.422 70.229 68.868 -0.102 0.000 0.996 174 T HN 0.291 nan 8.240 nan 0.000 0.448 175 Y N 3.426 123.296 120.300 -0.717 0.000 2.328 175 Y HA 0.566 5.115 4.550 -0.000 0.000 0.333 175 Y C -1.083 174.598 175.900 -0.364 0.000 0.958 175 Y CA -1.495 56.223 58.100 -0.636 0.000 1.167 175 Y CB 0.677 38.482 38.460 -1.093 0.000 1.151 175 Y HN 0.526 nan 8.280 nan 0.000 0.470 176 L N 7.743 128.520 121.223 -0.743 0.000 2.315 176 L HA 0.380 4.719 4.340 -0.000 0.000 0.278 176 L C 1.298 177.679 176.870 -0.815 0.000 1.088 176 L CA -0.235 54.263 54.840 -0.569 0.000 0.899 176 L CB 0.691 42.551 42.059 -0.332 0.000 1.277 176 L HN 0.953 nan 8.230 nan 0.000 0.431 177 A N 5.095 127.486 122.820 -0.715 0.000 1.884 177 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 177 A C -0.228 177.209 177.584 -0.245 0.000 1.197 177 A CA 1.807 53.581 52.037 -0.438 0.000 0.637 177 A CB -1.488 17.485 19.000 -0.044 0.000 0.827 177 A HN 0.594 nan 8.150 nan 0.000 0.450 178 P HA -0.108 nan 4.420 nan 0.000 0.218 178 P C 0.138 177.367 177.300 -0.119 0.000 1.146 178 P CA 1.580 64.613 63.100 -0.111 0.000 0.813 178 P CB -0.243 31.400 31.700 -0.094 0.000 0.778 179 N N -1.555 117.038 118.700 -0.177 0.000 2.204 179 N HA 0.125 4.864 4.740 -0.000 0.000 0.219 179 N C -0.447 174.975 175.510 -0.146 0.000 1.151 179 N CA -0.273 52.693 53.050 -0.141 0.000 0.867 179 N CB -0.230 38.177 38.487 -0.133 0.000 1.043 179 N HN -0.093 nan 8.380 nan 0.000 0.516 180 K N 0.359 120.644 120.400 -0.191 0.000 3.356 180 K HA -0.180 4.140 4.320 -0.000 0.000 0.270 180 K C -0.856 175.726 176.600 -0.028 0.000 0.901 180 K CA 0.631 56.876 56.287 -0.070 0.000 0.688 180 K CB -1.975 30.550 32.500 0.041 0.000 1.460 180 K HN 0.161 nan 8.250 nan 0.000 0.458 181 T N 1.097 115.544 114.554 -0.178 0.000 2.840 181 T HA 0.432 4.782 4.350 -0.000 0.000 0.287 181 T C -0.932 173.758 174.700 -0.016 0.000 0.991 181 T CA -0.799 61.264 62.100 -0.061 0.000 0.964 181 T CB 1.279 70.093 68.868 -0.090 0.000 0.954 181 T HN 0.219 nan 8.240 nan 0.000 0.438 182 L N 5.867 127.171 121.223 0.136 0.000 2.280 182 L HA 0.732 5.072 4.340 -0.000 0.000 0.287 182 L C -0.673 176.249 176.870 0.087 0.000 1.023 182 L CA -0.696 54.250 54.840 0.177 0.000 0.819 182 L CB 0.548 42.752 42.059 0.240 0.000 1.212 182 L HN 0.733 nan 8.230 nan 0.000 0.420 183 I N 4.159 124.755 120.570 0.044 0.000 2.530 183 I HA 0.906 5.076 4.170 -0.000 0.000 0.297 183 I C -0.993 175.154 176.117 0.050 0.000 1.011 183 I CA -0.484 60.837 61.300 0.037 0.000 1.107 183 I CB 1.890 39.893 38.000 0.005 0.000 1.285 183 I HN 0.781 nan 8.210 nan 0.000 0.436 184 A N 4.829 127.683 122.820 0.057 0.000 2.365 184 A HA 0.790 5.109 4.320 -0.000 0.000 0.318 184 A C -0.889 176.727 177.584 0.054 0.000 1.091 184 A CA -0.538 51.536 52.037 0.062 0.000 0.763 184 A CB 1.758 20.788 19.000 0.051 0.000 1.248 184 A HN 0.737 nan 8.150 nan 0.000 0.442 185 S N 0.891 116.617 115.700 0.044 0.000 2.536 185 S HA 0.747 5.217 4.470 -0.000 0.000 0.271 185 S C -1.653 172.963 174.600 0.027 0.000 1.134 185 S CA -0.453 57.775 58.200 0.046 0.000 0.897 185 S CB 1.099 64.311 63.200 0.021 0.000 1.094 185 S HN 1.152 nan 8.310 nan 0.000 0.473 186 L N 4.313 125.590 121.223 0.089 0.000 2.431 186 L HA 0.890 5.230 4.340 -0.000 0.000 0.266 186 L C -1.748 175.173 176.870 0.084 0.000 0.978 186 L CA -0.527 54.338 54.840 0.042 0.000 0.822 186 L CB 1.935 44.038 42.059 0.074 0.000 1.310 186 L HN 0.563 nan 8.230 nan 0.000 0.409 187 V N 3.528 123.434 119.914 -0.013 0.000 2.841 187 V HA 0.394 4.514 4.120 -0.000 0.000 0.310 187 V C -1.419 174.664 176.094 -0.018 0.000 1.090 187 V CA -0.493 61.831 62.300 0.039 0.000 0.930 187 V CB 2.056 33.944 31.823 0.107 0.000 1.014 187 V HN 0.563 nan 8.190 nan 0.000 0.425 188 Y N 4.180 124.579 120.300 0.165 0.000 2.587 188 Y HA 0.314 4.864 4.550 -0.001 0.000 0.328 188 Y C -1.737 174.202 175.900 0.064 0.000 0.980 188 Y CA -1.894 56.279 58.100 0.123 0.000 1.272 188 Y CB 1.921 40.481 38.460 0.168 0.000 1.094 188 Y HN 0.510 nan 8.280 nan 0.000 0.503 189 P HA -0.248 nan 4.420 nan 0.000 0.218 189 P C 1.486 178.832 177.300 0.076 0.000 1.146 189 P CA 2.036 65.187 63.100 0.086 0.000 0.820 189 P CB 0.262 31.985 31.700 0.038 0.000 0.778 190 S N -2.005 113.752 115.700 0.096 0.000 2.406 190 S HA -0.084 4.386 4.470 -0.000 0.000 0.228 190 S C 1.810 176.426 174.600 0.026 0.000 1.020 190 S CA 1.309 59.534 58.200 0.042 0.000 0.965 190 S CB -0.849 62.360 63.200 0.014 0.000 0.798 190 S HN 0.090 nan 8.310 nan 0.000 0.488 191 N N 0.192 118.927 118.700 0.059 0.000 2.197 191 N HA 0.131 4.871 4.740 -0.000 0.000 0.201 191 N C -0.425 175.118 175.510 0.055 0.000 1.148 191 N CA 0.065 53.139 53.050 0.040 0.000 0.883 191 N CB 0.085 38.590 38.487 0.030 0.000 1.012 191 N HN 0.083 nan 8.380 nan 0.000 0.507 192 Q N -0.107 119.737 119.800 0.074 0.000 2.475 192 Q HA -0.149 4.191 4.340 -0.000 0.000 0.280 192 Q C -0.762 175.252 176.000 0.023 0.000 1.234 192 Q CA 1.171 57.000 55.803 0.043 0.000 0.873 192 Q CB -2.985 25.761 28.738 0.014 0.000 1.256 192 Q HN 0.592 nan 8.270 nan 0.000 0.475 193 T N -2.469 112.126 114.554 0.068 0.000 2.907 193 T HA 0.739 5.089 4.350 -0.000 0.000 0.284 193 T C 0.366 174.930 174.700 -0.226 0.000 1.004 193 T CA -0.433 61.638 62.100 -0.049 0.000 1.063 193 T CB 2.405 71.357 68.868 0.139 0.000 0.992 193 T HN 0.072 nan 8.240 nan 0.000 0.483 194 T N 1.783 115.975 114.554 -0.602 0.000 2.906 194 T HA 0.710 5.060 4.350 -0.000 0.000 0.295 194 T C -1.392 172.675 174.700 -1.056 0.000 1.061 194 T CA -0.524 61.235 62.100 -0.569 0.000 1.000 194 T CB 0.905 69.636 68.868 -0.228 0.000 1.103 194 T HN 0.576 nan 8.240 nan 0.000 0.486 195 F N 0.986 121.005 119.950 0.115 0.000 2.608 195 F HA 0.697 5.224 4.527 -0.000 0.000 0.309 195 F C 0.109 175.954 175.800 0.075 0.000 1.103 195 F CA -0.788 57.286 58.000 0.125 0.000 0.954 195 F CB 2.303 41.424 39.000 0.202 0.000 1.267 195 F HN 0.662 nan 8.300 nan 0.000 0.444 196 S N 0.632 116.460 115.700 0.214 0.000 2.547 196 S HA 0.964 5.433 4.470 -0.000 0.000 0.270 196 S C -1.581 173.089 174.600 0.116 0.000 1.150 196 S CA -0.867 57.410 58.200 0.129 0.000 0.850 196 S CB 1.853 65.097 63.200 0.073 0.000 1.118 196 S HN 0.799 nan 8.310 nan 0.000 0.461 197 V N -1.147 118.820 119.914 0.088 0.000 3.120 197 V HA 1.018 5.138 4.120 -0.000 0.000 0.303 197 V C -0.334 175.798 176.094 0.063 0.000 1.238 197 V CA -0.583 61.765 62.300 0.081 0.000 1.008 197 V CB 1.089 32.965 31.823 0.088 0.000 1.064 197 V HN 1.699 nan 8.190 nan 0.000 0.434 198 A N 1.401 124.257 122.820 0.059 0.000 2.539 198 A HA 1.104 5.424 4.320 -0.000 0.000 0.296 198 A C -0.531 177.087 177.584 0.056 0.000 1.073 198 A CA -0.190 51.878 52.037 0.051 0.000 0.700 198 A CB 2.035 21.054 19.000 0.032 0.000 1.296 198 A HN 2.536 nan 8.150 nan 0.000 0.405 199 A N 0.110 122.967 122.820 0.062 0.000 2.604 199 A HA 0.764 5.083 4.320 -0.000 0.000 0.295 199 A C -0.324 177.302 177.584 0.070 0.000 1.067 199 A CA 0.044 52.119 52.037 0.064 0.000 0.683 199 A CB 1.103 20.147 19.000 0.074 0.000 1.281 199 A HN 1.773 nan 8.150 nan 0.000 0.407 200 S N 0.190 115.926 115.700 0.060 0.000 2.505 200 S HA 0.575 5.044 4.470 -0.000 0.000 0.276 200 S C -0.627 174.028 174.600 0.091 0.000 1.274 200 S CA -0.115 58.123 58.200 0.064 0.000 1.053 200 S CB -0.136 63.088 63.200 0.041 0.000 0.919 200 S HN 1.212 nan 8.310 nan 0.000 0.490 201 V N 5.038 125.037 119.914 0.141 0.000 2.711 201 V HA 0.372 4.492 4.120 -0.000 0.000 0.304 201 V C -0.921 175.305 176.094 0.219 0.000 1.097 201 V CA -0.966 61.431 62.300 0.162 0.000 0.906 201 V CB 2.154 34.081 31.823 0.174 0.000 1.015 201 V HN 0.832 nan 8.190 nan 0.000 0.427 202 D N 4.066 124.548 120.400 0.137 0.000 2.477 202 D HA 0.368 5.008 4.640 -0.000 0.000 0.239 202 D C 1.119 177.476 176.300 0.095 0.000 1.102 202 D CA -0.280 53.801 54.000 0.135 0.000 0.901 202 D CB 1.333 42.169 40.800 0.061 0.000 1.026 202 D HN 0.473 nan 8.370 nan 0.000 0.515 203 L N 2.668 123.952 121.223 0.101 0.000 2.129 203 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 203 L C 2.246 179.189 176.870 0.121 0.000 1.087 203 L CA 1.136 56.008 54.840 0.054 0.000 0.757 203 L CB -0.261 41.772 42.059 -0.045 0.000 0.896 203 L HN 0.282 nan 8.230 nan 0.000 0.434 204 K N 0.195 120.612 120.400 0.029 0.000 2.103 204 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 204 K C 1.848 178.335 176.600 -0.188 0.000 1.048 204 K CA 1.481 57.606 56.287 -0.270 0.000 0.930 204 K CB -0.162 32.115 32.500 -0.372 0.000 0.716 204 K HN 0.438 nan 8.250 nan 0.000 0.444 205 E N 0.130 120.290 120.200 -0.067 0.000 2.230 205 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 205 E C 1.622 178.237 176.600 0.025 0.000 0.987 205 E CA 0.589 56.968 56.400 -0.034 0.000 0.841 205 E CB 0.154 29.842 29.700 -0.019 0.000 0.783 205 E HN 0.200 nan 8.360 nan 0.000 0.481 206 I N 0.088 120.695 120.570 0.061 0.000 2.685 206 I HA -0.003 4.167 4.170 -0.000 0.000 0.251 206 I C 0.742 176.929 176.117 0.117 0.000 1.102 206 I CA 0.478 61.824 61.300 0.077 0.000 1.442 206 I CB 0.188 38.228 38.000 0.066 0.000 1.194 206 I HN -0.099 nan 8.210 nan 0.000 0.448 207 L N 2.023 123.346 121.223 0.165 0.000 2.375 207 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 207 L C -2.203 174.856 176.870 0.315 0.000 1.058 207 L CA -1.914 53.036 54.840 0.183 0.000 0.803 207 L CB 0.322 42.456 42.059 0.125 0.000 1.212 207 L HN -0.078 nan 8.230 nan 0.000 0.451 208 P HA 0.052 nan 4.420 nan 0.000 0.277 208 P C 0.160 177.272 177.300 -0.313 0.000 1.271 208 P CA -0.404 62.770 63.100 0.124 0.000 0.795 208 P CB 0.954 32.690 31.700 0.059 0.000 1.101 209 E N -0.088 119.582 120.200 -0.884 0.000 2.097 209 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 209 E C -0.319 175.646 176.600 -1.058 0.000 1.000 209 E CA 1.260 56.629 56.400 -1.720 0.000 0.804 209 E CB -0.018 28.811 29.700 -1.452 0.000 0.740 209 E HN 0.409 nan 8.360 nan 0.000 0.454 210 W N -0.086 120.970 121.300 -0.406 0.000 2.606 210 W HA 0.432 5.091 4.660 -0.001 0.000 0.332 210 W C -0.629 175.779 176.519 -0.185 0.000 1.052 210 W CA -0.820 56.376 57.345 -0.248 0.000 1.223 210 W CB 1.696 31.045 29.460 -0.185 0.000 1.383 210 W HN -0.176 nan 8.180 nan 0.000 0.524 211 V N -0.197 119.775 119.914 0.096 0.000 3.216 211 V HA 0.649 4.769 4.120 -0.000 0.000 0.302 211 V C -1.051 175.014 176.094 -0.048 0.000 1.286 211 V CA -1.745 60.548 62.300 -0.012 0.000 1.048 211 V CB 1.980 33.758 31.823 -0.077 0.000 1.081 211 V HN 0.644 nan 8.190 nan 0.000 0.442 212 R N 0.492 120.912 120.500 -0.134 0.000 2.604 212 R HA 0.875 5.215 4.340 -0.000 0.000 0.287 212 R C -1.432 174.649 176.300 -0.364 0.000 0.970 212 R CA -0.630 55.355 56.100 -0.191 0.000 0.946 212 R CB 2.119 32.314 30.300 -0.175 0.000 1.127 212 R HN 0.784 nan 8.270 nan 0.000 0.473 213 V N 2.149 121.831 119.914 -0.386 0.000 2.715 213 V HA 0.912 5.032 4.120 -0.000 0.000 0.310 213 V C -0.089 175.700 176.094 -0.509 0.000 1.054 213 V CA 0.285 62.233 62.300 -0.587 0.000 0.928 213 V CB 1.720 33.187 31.823 -0.594 0.000 1.007 213 V HN 1.009 nan 8.190 nan 0.000 0.437 214 G N 4.084 112.288 108.800 -0.993 0.000 2.392 214 G HA2 0.382 4.342 3.960 -0.000 0.000 0.260 214 G HA3 0.382 4.342 3.960 -0.000 0.000 0.260 214 G C -1.865 172.271 174.900 -1.274 0.000 1.226 214 G CA -0.541 43.981 45.100 -0.963 0.000 0.913 214 G HN 0.569 nan 8.290 nan 0.000 0.483 215 F N 0.245 119.970 119.950 -0.374 0.000 2.561 215 F HA 0.845 5.372 4.527 -0.000 0.000 0.321 215 F C 0.505 176.289 175.800 -0.026 0.000 1.065 215 F CA -0.773 57.103 58.000 -0.208 0.000 0.934 215 F CB 2.621 41.383 39.000 -0.397 0.000 1.215 215 F HN 0.509 nan 8.300 nan 0.000 0.471 216 S N 1.157 116.918 115.700 0.103 0.000 2.540 216 S HA 0.933 5.403 4.470 -0.000 0.000 0.275 216 S C -1.370 173.152 174.600 -0.131 0.000 1.123 216 S CA -0.252 57.891 58.200 -0.096 0.000 0.907 216 S CB 1.424 64.388 63.200 -0.393 0.000 1.081 216 S HN 1.122 nan 8.310 nan 0.000 0.476 217 A N 2.021 124.737 122.820 -0.174 0.000 2.612 217 A HA 0.974 5.293 4.320 -0.000 0.000 0.293 217 A C -1.035 176.390 177.584 -0.265 0.000 1.075 217 A CA -0.217 51.634 52.037 -0.310 0.000 0.680 217 A CB 1.130 19.874 19.000 -0.427 0.000 1.279 217 A HN 1.750 nan 8.150 nan 0.000 0.411 218 A N 0.052 122.665 122.820 -0.345 0.000 2.572 218 A HA 0.894 5.214 4.320 -0.000 0.000 0.295 218 A C -0.519 177.018 177.584 -0.078 0.000 1.072 218 A CA -0.340 51.606 52.037 -0.151 0.000 0.691 218 A CB 1.565 20.512 19.000 -0.087 0.000 1.291 218 A HN 1.116 nan 8.150 nan 0.000 0.404 219 T N 0.162 114.709 114.554 -0.011 0.000 2.885 219 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 219 T C 0.730 175.312 174.700 -0.197 0.000 1.019 219 T CA 0.416 62.499 62.100 -0.028 0.000 1.010 219 T CB 1.699 70.561 68.868 -0.010 0.000 1.022 219 T HN 1.214 nan 8.240 nan 0.000 0.466 220 G N 0.687 109.282 108.800 -0.341 0.000 3.306 220 G HA2 0.322 4.282 3.960 -0.000 0.000 0.202 220 G HA3 0.322 4.282 3.960 -0.000 0.000 0.202 220 G C -0.724 173.491 174.900 -1.141 0.000 1.673 220 G CA -0.297 44.422 45.100 -0.635 0.000 0.776 220 G HN 0.607 nan 8.290 nan 0.000 0.740 221 Y N 3.957 123.792 120.300 -0.774 0.000 2.620 221 Y HA 0.180 4.730 4.550 -0.000 0.000 0.330 221 Y C -0.621 175.057 175.900 -0.369 0.000 1.186 221 Y CA -1.365 56.426 58.100 -0.515 0.000 1.467 221 Y CB 1.275 39.570 38.460 -0.275 0.000 1.262 221 Y HN 0.145 nan 8.280 nan 0.000 0.550 222 P HA -0.273 nan 4.420 nan 0.000 0.216 222 P C 1.055 178.189 177.300 -0.275 0.000 1.154 222 P CA 2.788 65.600 63.100 -0.480 0.000 0.865 222 P CB -0.236 31.173 31.700 -0.485 0.000 0.789 223 T N -3.797 110.636 114.554 -0.202 0.000 3.160 223 T HA 0.037 4.386 4.350 -0.000 0.000 0.257 223 T C 1.155 175.878 174.700 0.038 0.000 1.147 223 T CA 0.541 62.645 62.100 0.006 0.000 1.064 223 T CB -0.560 68.399 68.868 0.152 0.000 0.949 223 T HN 0.269 nan 8.240 nan 0.000 0.526 224 E N 0.915 121.122 120.200 0.011 0.000 2.660 224 E HA 0.234 4.583 4.350 -0.000 0.000 0.216 224 E C 0.322 176.891 176.600 -0.052 0.000 0.986 224 E CA -0.364 56.037 56.400 0.002 0.000 1.037 224 E CB 1.135 30.855 29.700 0.033 0.000 1.041 224 E HN 0.564 nan 8.360 nan 0.000 0.480 225 V N 0.827 120.691 119.914 -0.085 0.000 2.901 225 V HA 0.132 4.252 4.120 -0.000 0.000 0.307 225 V C -0.036 176.013 176.094 -0.076 0.000 1.084 225 V CA -0.193 62.049 62.300 -0.096 0.000 1.184 225 V CB 0.489 32.247 31.823 -0.108 0.000 0.941 225 V HN 0.242 nan 8.190 nan 0.000 0.493 226 E N 2.114 122.242 120.200 -0.119 0.000 2.433 226 E HA 0.623 4.973 4.350 -0.000 0.000 0.278 226 E C -0.736 175.654 176.600 -0.350 0.000 0.976 226 E CA -0.753 55.547 56.400 -0.167 0.000 0.793 226 E CB 1.831 31.414 29.700 -0.195 0.000 1.311 226 E HN 0.828 nan 8.360 nan 0.000 0.460 227 T N -1.138 113.249 114.554 -0.278 0.000 2.899 227 T HA 0.353 4.703 4.350 -0.000 0.000 0.284 227 T C -0.170 174.219 174.700 -0.518 0.000 1.004 227 T CA -0.677 61.249 62.100 -0.290 0.000 1.043 227 T CB 0.680 69.511 68.868 -0.062 0.000 1.013 227 T HN 0.534 nan 8.240 nan 0.000 0.518 228 H N 1.187 120.284 119.070 0.045 0.000 2.380 228 H HA 0.320 4.876 4.556 -0.000 0.000 0.231 228 H C -1.052 174.265 175.328 -0.019 0.000 1.415 228 H CA -0.678 55.378 56.048 0.014 0.000 1.433 228 H CB 0.164 29.902 29.762 -0.040 0.000 1.544 228 H HN 0.637 nan 8.280 nan 0.000 0.503 229 D N 1.769 122.230 120.400 0.102 0.000 2.198 229 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 229 D C 0.371 176.721 176.300 0.082 0.000 1.079 229 D CA -0.500 53.538 54.000 0.064 0.000 0.854 229 D CB 3.087 43.940 40.800 0.088 0.000 1.148 229 D HN 0.059 nan 8.370 nan 0.000 0.456 230 V N 3.149 123.035 119.914 -0.047 0.000 2.459 230 V HA 0.227 4.347 4.120 -0.000 0.000 0.295 230 V C 1.220 177.443 176.094 0.216 0.000 1.029 230 V CA -0.506 61.781 62.300 -0.022 0.000 0.874 230 V CB 1.780 33.320 31.823 -0.472 0.000 0.985 230 V HN 0.467 nan 8.190 nan 0.000 0.438 231 L N 2.183 123.620 121.223 0.357 0.000 2.388 231 L HA 0.304 4.643 4.340 -0.000 0.000 0.209 231 L C 0.651 177.796 176.870 0.459 0.000 1.061 231 L CA 0.519 55.608 54.840 0.416 0.000 0.834 231 L CB 0.291 42.510 42.059 0.266 0.000 1.029 231 L HN 0.647 nan 8.230 nan 0.000 0.473 232 S N -1.640 114.331 115.700 0.452 0.000 2.627 232 S HA 0.604 5.074 4.470 -0.000 0.000 0.283 232 S C -1.991 172.974 174.600 0.609 0.000 1.127 232 S CA -0.494 57.920 58.200 0.357 0.000 0.863 232 S CB 2.691 66.065 63.200 0.290 0.000 1.121 232 S HN 0.206 nan 8.310 nan 0.000 0.479 233 W N 2.108 123.582 121.300 0.289 0.000 4.000 233 W HA 0.546 5.205 4.660 -0.001 0.000 0.302 233 W C -1.537 175.145 176.519 0.272 0.000 1.206 233 W CA -0.641 56.962 57.345 0.430 0.000 1.286 233 W CB 0.852 30.710 29.460 0.663 0.000 1.234 233 W HN 0.809 nan 8.180 nan 0.000 0.477 234 S N 4.720 120.560 115.700 0.233 0.000 2.538 234 S HA 0.864 5.333 4.470 -0.000 0.000 0.288 234 S C -1.569 172.822 174.600 -0.348 0.000 1.108 234 S CA -0.607 57.488 58.200 -0.175 0.000 0.971 234 S CB 2.423 65.606 63.200 -0.028 0.000 1.041 234 S HN 0.572 nan 8.310 nan 0.000 0.483 235 F N 1.307 120.645 119.950 -1.020 0.000 2.569 235 F HA 0.719 5.246 4.527 -0.000 0.000 0.312 235 F C -1.003 174.392 175.800 -0.676 0.000 1.109 235 F CA 0.024 57.478 58.000 -0.909 0.000 0.919 235 F CB 2.312 40.414 39.000 -1.497 0.000 1.211 235 F HN 0.735 nan 8.300 nan 0.000 0.446 236 T N 3.396 117.362 114.554 -0.980 0.000 2.971 236 T HA 0.548 4.898 4.350 -0.000 0.000 0.304 236 T C -1.334 173.014 174.700 -0.586 0.000 1.038 236 T CA -0.843 60.923 62.100 -0.557 0.000 1.007 236 T CB 1.469 70.160 68.868 -0.296 0.000 1.055 236 T HN 0.676 nan 8.240 nan 0.000 0.451 237 S N 1.320 116.867 115.700 -0.255 0.000 2.541 237 S HA 0.838 5.307 4.470 -0.000 0.000 0.280 237 S C -0.871 173.749 174.600 0.033 0.000 1.112 237 S CA -0.793 57.381 58.200 -0.042 0.000 0.925 237 S CB 2.321 65.613 63.200 0.153 0.000 1.067 237 S HN 0.625 nan 8.310 nan 0.000 0.479 238 T N 2.957 117.544 114.554 0.055 0.000 2.949 238 T HA 0.550 4.900 4.350 -0.000 0.000 0.300 238 T C -0.990 173.745 174.700 0.059 0.000 0.988 238 T CA -0.473 61.653 62.100 0.044 0.000 0.993 238 T CB 0.779 69.656 68.868 0.015 0.000 0.984 238 T HN 0.725 nan 8.240 nan 0.000 0.442 239 L N 0.000 121.254 121.223 0.051 0.000 2.949 239 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 239 L CA 0.000 54.869 54.840 0.049 0.000 0.813 239 L CB 0.000 42.073 42.059 0.024 0.000 0.961 239 L HN 0.000 nan 8.230 nan 0.000 0.502