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 1ctt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHPRFQTAFA QLADNLQSAL EPILADKYFP ALLTGEQVSS LKSATGLDED DATA SEQUENCE ALAFALLPLA AACARTPLSN FNVGAIARGV SGTWYFGANM EFIGATMQQT DATA SEQUENCE VHAEQSAISH AWLSGEKALA AITVNYTPCG HCRQFMNELN SGLDLRIHLP DATA SEQUENCE GREAHALRDY LPDAFGPKDL EIKTLLMDEQ DHGYALTGDA LSQAAIAAAN DATA SEQUENCE RSHMPYSKSP SGVALECKDG RIFSGSYAEN AAFNPTLPPL QGALILLNLK DATA SEQUENCE GYDYPDIQRA VLAEKADAPL IQWDATSATL KALGCHSIDR VLLA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.339 176.300 0.064 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.547 32.600 -0.089 0.000 1.302 2 H N 6.454 125.572 119.070 0.081 0.000 3.145 2 H HA 0.173 4.729 4.556 -0.000 0.000 0.288 2 H C -1.922 173.361 175.328 -0.075 0.000 0.969 2 H CA -0.272 55.750 56.048 -0.043 0.000 1.444 2 H CB 0.848 30.558 29.762 -0.087 0.000 1.500 2 H HN 0.464 nan 8.280 nan 0.000 0.552 3 P HA -0.271 nan 4.420 nan 0.000 0.218 3 P C 1.406 178.755 177.300 0.082 0.000 1.150 3 P CA 2.088 65.232 63.100 0.073 0.000 0.841 3 P CB 0.027 31.717 31.700 -0.017 0.000 0.784 4 R N -1.050 119.484 120.500 0.058 0.000 2.091 4 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 4 R C 1.822 178.024 176.300 -0.163 0.000 1.136 4 R CA 1.680 57.635 56.100 -0.242 0.000 0.959 4 R CB -1.684 28.250 30.300 -0.611 0.000 0.856 4 R HN 0.129 nan 8.270 nan 0.000 0.437 5 F N 1.570 121.575 119.950 0.090 0.000 2.502 5 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 5 F C 2.440 178.317 175.800 0.128 0.000 1.111 5 F CA 0.410 58.481 58.000 0.117 0.000 1.445 5 F CB -0.696 38.379 39.000 0.124 0.000 1.081 5 F HN -0.000 nan 8.300 nan 0.000 0.558 6 Q N 0.599 120.553 119.800 0.257 0.000 2.007 6 Q HA -0.263 4.077 4.340 -0.000 0.000 0.214 6 Q C 2.276 178.400 176.000 0.208 0.000 1.031 6 Q CA 3.536 59.447 55.803 0.180 0.000 0.886 6 Q CB -0.992 27.804 28.738 0.097 0.000 0.992 6 Q HN 0.392 nan 8.270 nan 0.000 0.415 7 T N -0.040 114.608 114.554 0.157 0.000 2.777 7 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 7 T C 1.783 176.570 174.700 0.146 0.000 1.040 7 T CA 1.266 63.444 62.100 0.129 0.000 1.141 7 T CB -0.706 68.212 68.868 0.084 0.000 0.868 7 T HN 0.451 nan 8.240 nan 0.000 0.444 8 A N 1.594 124.520 122.820 0.177 0.000 1.873 8 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 8 A C 2.028 179.700 177.584 0.147 0.000 1.193 8 A CA 1.763 53.896 52.037 0.159 0.000 0.629 8 A CB -1.292 17.843 19.000 0.225 0.000 0.826 8 A HN 0.436 nan 8.150 nan 0.000 0.447 9 F N 0.937 120.937 119.950 0.084 0.000 2.087 9 F HA -0.225 4.302 4.527 0.000 0.000 0.299 9 F C 2.521 178.337 175.800 0.027 0.000 1.100 9 F CA 1.637 59.661 58.000 0.041 0.000 1.226 9 F CB -0.381 38.647 39.000 0.046 0.000 0.983 9 F HN 0.249 nan 8.300 nan 0.000 0.479 10 A N -1.027 121.913 122.820 0.199 0.000 2.125 10 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 10 A C 1.882 179.459 177.584 -0.013 0.000 1.156 10 A CA 1.608 53.707 52.037 0.103 0.000 0.671 10 A CB -0.582 18.490 19.000 0.120 0.000 0.794 10 A HN 0.511 nan 8.150 nan 0.000 0.459 11 Q N -0.718 119.064 119.800 -0.031 0.000 2.392 11 Q HA 0.316 4.656 4.340 -0.000 0.000 0.203 11 Q C 0.303 176.245 176.000 -0.097 0.000 0.917 11 Q CA 0.155 55.931 55.803 -0.044 0.000 0.939 11 Q CB -0.154 28.578 28.738 -0.010 0.000 1.063 11 Q HN 0.693 nan 8.270 nan 0.000 0.516 12 L N -0.091 121.014 121.223 -0.198 0.000 2.466 12 L HA 0.410 4.750 4.340 -0.000 0.000 0.257 12 L C 0.484 177.242 176.870 -0.186 0.000 1.189 12 L CA -0.929 53.780 54.840 -0.219 0.000 0.813 12 L CB 0.214 42.062 42.059 -0.352 0.000 1.118 12 L HN -0.027 nan 8.230 nan 0.000 0.471 13 A N 0.567 123.305 122.820 -0.136 0.000 2.466 13 A HA 0.061 4.381 4.320 -0.000 0.000 0.238 13 A C 0.649 178.158 177.584 -0.125 0.000 1.074 13 A CA -0.356 51.621 52.037 -0.101 0.000 0.774 13 A CB 0.075 19.034 19.000 -0.068 0.000 1.015 13 A HN 0.863 nan 8.150 nan 0.000 0.498 14 D N 1.245 121.593 120.400 -0.087 0.000 2.106 14 D HA -0.208 4.431 4.640 -0.000 0.000 0.191 14 D C 1.642 177.902 176.300 -0.067 0.000 0.997 14 D CA 2.047 56.003 54.000 -0.074 0.000 0.834 14 D CB -0.320 40.456 40.800 -0.040 0.000 0.956 14 D HN 0.765 nan 8.370 nan 0.000 0.448 15 N N 0.680 119.348 118.700 -0.053 0.000 2.364 15 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 15 N C 1.755 177.232 175.510 -0.055 0.000 1.022 15 N CA 0.491 53.515 53.050 -0.042 0.000 0.883 15 N CB -0.450 38.018 38.487 -0.032 0.000 0.965 15 N HN 0.217 nan 8.380 nan 0.000 0.438 16 L N 0.818 121.991 121.223 -0.084 0.000 2.102 16 L HA 0.047 4.387 4.340 -0.000 0.000 0.202 16 L C 2.442 179.228 176.870 -0.141 0.000 1.076 16 L CA 1.351 56.131 54.840 -0.100 0.000 0.761 16 L CB -0.811 41.182 42.059 -0.110 0.000 0.921 16 L HN 0.059 nan 8.230 nan 0.000 0.444 17 Q N -0.807 118.842 119.800 -0.251 0.000 2.077 17 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 17 Q C 2.204 178.234 176.000 0.050 0.000 0.989 17 Q CA 2.187 57.772 55.803 -0.364 0.000 0.853 17 Q CB -0.363 28.136 28.738 -0.398 0.000 0.907 17 Q HN 0.524 nan 8.270 nan 0.000 0.418 18 S N 0.759 116.468 115.700 0.015 0.000 2.359 18 S HA -0.219 4.251 4.470 -0.000 0.000 0.223 18 S C 2.085 176.704 174.600 0.033 0.000 1.039 18 S CA 1.249 59.476 58.200 0.044 0.000 1.042 18 S CB -0.424 62.782 63.200 0.010 0.000 0.915 18 S HN 0.552 nan 8.310 nan 0.000 0.439 19 A N 0.705 123.524 122.820 -0.002 0.000 2.019 19 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 19 A C 2.098 179.674 177.584 -0.012 0.000 1.164 19 A CA 1.115 53.142 52.037 -0.016 0.000 0.644 19 A CB -0.540 18.438 19.000 -0.036 0.000 0.805 19 A HN 0.465 nan 8.150 nan 0.000 0.449 20 L N -1.822 119.417 121.223 0.026 0.000 2.162 20 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 20 L C 2.387 179.285 176.870 0.047 0.000 1.086 20 L CA 1.091 55.953 54.840 0.036 0.000 0.778 20 L CB -0.412 41.720 42.059 0.122 0.000 0.928 20 L HN 0.428 nan 8.230 nan 0.000 0.446 21 E N 0.384 120.684 120.200 0.167 0.000 2.196 21 E HA -0.276 4.074 4.350 -0.000 0.000 0.222 21 E C -0.858 175.685 176.600 -0.095 0.000 1.072 21 E CA 2.580 58.995 56.400 0.025 0.000 0.902 21 E CB -0.713 29.031 29.700 0.074 0.000 0.780 21 E HN 0.348 nan 8.360 nan 0.000 0.467 22 P HA -0.071 nan 4.420 nan 0.000 0.222 22 P C 1.126 178.371 177.300 -0.092 0.000 1.153 22 P CA 1.172 64.232 63.100 -0.066 0.000 0.798 22 P CB 0.038 31.712 31.700 -0.043 0.000 0.796 23 I N -1.408 119.076 120.570 -0.144 0.000 2.400 23 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 23 I C 1.795 177.713 176.117 -0.332 0.000 1.109 23 I CA 0.784 61.961 61.300 -0.206 0.000 1.425 23 I CB -0.478 37.359 38.000 -0.271 0.000 1.094 23 I HN -0.155 nan 8.210 nan 0.000 0.425 24 L N 0.969 121.924 121.223 -0.445 0.000 2.610 24 L HA 0.084 4.424 4.340 -0.000 0.000 0.232 24 L C 2.392 179.140 176.870 -0.204 0.000 1.149 24 L CA 0.784 55.331 54.840 -0.488 0.000 0.872 24 L CB -0.871 40.885 42.059 -0.504 0.000 0.992 24 L HN 0.115 nan 8.230 nan 0.000 0.447 25 A N -0.994 121.732 122.820 -0.157 0.000 1.865 25 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 25 A C 1.166 178.737 177.584 -0.022 0.000 1.191 25 A CA 1.151 53.130 52.037 -0.096 0.000 0.623 25 A CB -0.569 18.388 19.000 -0.072 0.000 0.826 25 A HN 0.397 nan 8.150 nan 0.000 0.444 26 D N -0.455 119.965 120.400 0.035 0.000 2.450 26 D HA 0.035 4.675 4.640 -0.000 0.000 0.247 26 D C 1.027 177.402 176.300 0.125 0.000 1.162 26 D CA 0.119 54.175 54.000 0.095 0.000 0.879 26 D CB 0.675 41.567 40.800 0.153 0.000 1.163 26 D HN 0.300 nan 8.370 nan 0.000 0.472 27 K N 3.106 123.514 120.400 0.013 0.000 2.211 27 K HA -0.195 4.125 4.320 -0.000 0.000 0.204 27 K C 0.348 176.815 176.600 -0.222 0.000 1.047 27 K CA 1.001 57.200 56.287 -0.146 0.000 0.935 27 K CB -0.035 32.213 32.500 -0.420 0.000 0.728 27 K HN 0.549 nan 8.250 nan 0.000 0.452 28 Y N 0.193 120.598 120.300 0.174 0.000 2.645 28 Y HA 0.102 4.652 4.550 -0.000 0.000 0.307 28 Y C -0.106 175.912 175.900 0.197 0.000 1.151 28 Y CA -1.134 57.067 58.100 0.168 0.000 1.291 28 Y CB -0.448 38.076 38.460 0.107 0.000 1.135 28 Y HN -0.034 nan 8.280 nan 0.000 0.523 29 F N 5.025 125.093 119.950 0.198 0.000 2.612 29 F HA 0.117 4.644 4.527 -0.000 0.000 0.389 29 F C -1.720 174.175 175.800 0.159 0.000 1.055 29 F CA -2.968 55.111 58.000 0.132 0.000 1.232 29 F CB 0.815 39.859 39.000 0.074 0.000 1.044 29 F HN -0.019 nan 8.300 nan 0.000 0.560 30 P HA 0.120 nan 4.420 nan 0.000 0.258 30 P C 0.154 177.057 177.300 -0.662 0.000 1.403 30 P CA 0.807 63.662 63.100 -0.408 0.000 0.826 30 P CB -0.507 31.113 31.700 -0.133 0.000 1.414 31 A N -0.152 121.787 122.820 -1.468 0.000 2.640 31 A HA -0.109 4.211 4.320 -0.000 0.000 0.300 31 A C 0.064 177.210 177.584 -0.731 0.000 1.499 31 A CA 1.245 52.668 52.037 -1.022 0.000 0.759 31 A CB -2.518 16.371 19.000 -0.185 0.000 1.048 31 A HN 0.588 nan 8.150 nan 0.000 0.450 32 L N -1.921 118.825 121.223 -0.795 0.000 2.710 32 L HA 0.851 5.191 4.340 -0.000 0.000 0.260 32 L C -2.019 174.733 176.870 -0.197 0.000 0.993 32 L CA -1.254 53.346 54.840 -0.399 0.000 0.877 32 L CB 1.335 43.226 42.059 -0.279 0.000 1.461 32 L HN 0.232 nan 8.230 nan 0.000 0.413 33 L N 1.874 123.017 121.223 -0.132 0.000 2.464 33 L HA 0.639 4.979 4.340 -0.000 0.000 0.266 33 L C 0.210 176.972 176.870 -0.181 0.000 0.965 33 L CA 0.031 54.819 54.840 -0.086 0.000 0.833 33 L CB 2.265 44.286 42.059 -0.062 0.000 1.296 33 L HN 0.873 nan 8.230 nan 0.000 0.405 34 T N -0.907 113.551 114.554 -0.159 0.000 2.824 34 T HA 0.445 4.795 4.350 -0.000 0.000 0.277 34 T C 1.356 175.927 174.700 -0.215 0.000 0.975 34 T CA -0.065 61.937 62.100 -0.163 0.000 0.966 34 T CB 1.050 69.856 68.868 -0.103 0.000 1.054 34 T HN 0.667 nan 8.240 nan 0.000 0.533 35 G N 0.516 109.213 108.800 -0.173 0.000 2.513 35 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 35 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 35 G C 1.220 176.009 174.900 -0.184 0.000 1.160 35 G CA 1.098 46.086 45.100 -0.186 0.000 0.767 35 G HN 0.805 nan 8.290 nan 0.000 0.571 36 E N 0.669 120.791 120.200 -0.129 0.000 2.058 36 E HA -0.142 4.207 4.350 -0.000 0.000 0.194 36 E C 2.655 179.176 176.600 -0.131 0.000 0.997 36 E CA 1.437 57.773 56.400 -0.107 0.000 0.801 36 E CB -0.399 29.257 29.700 -0.073 0.000 0.746 36 E HN 0.612 nan 8.360 nan 0.000 0.450 37 Q N 0.124 119.835 119.800 -0.147 0.000 2.124 37 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 37 Q C 2.290 178.162 176.000 -0.214 0.000 0.977 37 Q CA 1.314 57.026 55.803 -0.152 0.000 0.850 37 Q CB -0.112 28.547 28.738 -0.133 0.000 0.901 37 Q HN 0.166 nan 8.270 nan 0.000 0.429 38 V N 0.487 120.206 119.914 -0.325 0.000 2.261 38 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 38 V C 2.229 178.144 176.094 -0.299 0.000 1.047 38 V CA 1.973 63.992 62.300 -0.469 0.000 1.015 38 V CB -0.622 30.723 31.823 -0.796 0.000 0.642 38 V HN 0.301 nan 8.190 nan 0.000 0.446 39 S N 0.476 116.041 115.700 -0.224 0.000 2.359 39 S HA -0.246 4.224 4.470 -0.000 0.000 0.223 39 S C 2.204 176.736 174.600 -0.113 0.000 1.039 39 S CA 1.947 60.061 58.200 -0.142 0.000 1.042 39 S CB -0.452 62.682 63.200 -0.108 0.000 0.915 39 S HN 0.683 nan 8.310 nan 0.000 0.439 40 S N 2.098 117.732 115.700 -0.111 0.000 2.365 40 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 40 S C 1.841 176.391 174.600 -0.084 0.000 1.039 40 S CA 1.290 59.439 58.200 -0.085 0.000 1.033 40 S CB -0.656 62.496 63.200 -0.079 0.000 0.887 40 S HN 0.368 nan 8.310 nan 0.000 0.447 41 L N 0.921 122.080 121.223 -0.108 0.000 2.083 41 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 41 L C 2.536 179.363 176.870 -0.072 0.000 1.083 41 L CA 1.279 56.065 54.840 -0.091 0.000 0.752 41 L CB -0.439 41.551 42.059 -0.116 0.000 0.899 41 L HN 0.238 nan 8.230 nan 0.000 0.433 42 K N -0.461 119.888 120.400 -0.085 0.000 2.097 42 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 42 K C 2.296 178.872 176.600 -0.040 0.000 1.049 42 K CA 1.488 57.741 56.287 -0.056 0.000 0.933 42 K CB -0.069 32.392 32.500 -0.064 0.000 0.717 42 K HN 0.134 nan 8.250 nan 0.000 0.442 43 S N 0.437 116.110 115.700 -0.045 0.000 2.383 43 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 43 S C 1.946 176.528 174.600 -0.029 0.000 1.026 43 S CA 1.151 59.330 58.200 -0.034 0.000 0.981 43 S CB -0.040 63.138 63.200 -0.036 0.000 0.818 43 S HN 0.424 nan 8.310 nan 0.000 0.472 44 A N 1.093 123.893 122.820 -0.034 0.000 2.067 44 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 44 A C 1.334 178.902 177.584 -0.026 0.000 1.156 44 A CA 1.004 53.024 52.037 -0.029 0.000 0.683 44 A CB -0.287 18.693 19.000 -0.033 0.000 0.808 44 A HN 0.539 nan 8.150 nan 0.000 0.455 45 T N -5.293 109.246 114.554 -0.025 0.000 2.924 45 T HA 0.552 4.902 4.350 -0.000 0.000 0.291 45 T C 0.744 175.437 174.700 -0.012 0.000 1.045 45 T CA 0.007 62.095 62.100 -0.019 0.000 1.015 45 T CB 1.620 70.477 68.868 -0.019 0.000 1.103 45 T HN 0.286 nan 8.240 nan 0.000 0.496 46 G N 0.784 109.581 108.800 -0.006 0.000 3.181 46 G HA2 0.333 4.293 3.960 -0.000 0.000 0.219 46 G HA3 0.333 4.293 3.960 -0.000 0.000 0.219 46 G C 0.267 175.170 174.900 0.006 0.000 1.182 46 G CA -0.359 44.740 45.100 -0.002 0.000 0.791 46 G HN 0.531 nan 8.290 nan 0.000 0.537 47 L N 2.263 123.492 121.223 0.010 0.000 2.529 47 L HA 0.142 4.482 4.340 -0.000 0.000 0.287 47 L C 0.538 177.424 176.870 0.026 0.000 1.241 47 L CA -0.491 54.365 54.840 0.026 0.000 0.857 47 L CB 0.390 42.470 42.059 0.035 0.000 1.113 47 L HN 0.354 nan 8.230 nan 0.000 0.504 48 D N 1.358 121.782 120.400 0.041 0.000 2.388 48 D HA 0.143 4.783 4.640 -0.000 0.000 0.254 48 D C 0.721 177.062 176.300 0.069 0.000 1.111 48 D CA -0.566 53.460 54.000 0.043 0.000 0.993 48 D CB 0.511 41.335 40.800 0.040 0.000 1.118 48 D HN 0.537 nan 8.370 nan 0.000 0.502 49 E N -0.037 120.218 120.200 0.092 0.000 2.033 49 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 49 E C 1.221 177.857 176.600 0.061 0.000 1.011 49 E CA 1.721 58.247 56.400 0.210 0.000 0.815 49 E CB -0.137 29.701 29.700 0.230 0.000 0.755 49 E HN 0.522 nan 8.360 nan 0.000 0.451 50 D N 0.709 121.043 120.400 -0.110 0.000 2.116 50 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 50 D C 1.877 178.022 176.300 -0.258 0.000 0.998 50 D CA 1.537 55.329 54.000 -0.348 0.000 0.836 50 D CB -0.359 40.267 40.800 -0.290 0.000 0.951 50 D HN 0.210 nan 8.370 nan 0.000 0.449 51 A N 0.434 123.259 122.820 0.009 0.000 2.014 51 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 51 A C 2.116 179.768 177.584 0.114 0.000 1.163 51 A CA 0.579 52.703 52.037 0.144 0.000 0.652 51 A CB -0.452 18.630 19.000 0.136 0.000 0.808 51 A HN 0.204 nan 8.150 nan 0.000 0.449 52 L N -0.123 121.159 121.223 0.099 0.000 2.027 52 L HA 0.004 4.344 4.340 -0.000 0.000 0.206 52 L C 2.631 179.609 176.870 0.180 0.000 1.074 52 L CA 2.149 57.081 54.840 0.154 0.000 0.745 52 L CB -0.936 41.239 42.059 0.193 0.000 0.898 52 L HN 0.312 nan 8.230 nan 0.000 0.433 53 A N -0.572 122.304 122.820 0.093 0.000 1.892 53 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 53 A C 2.114 179.605 177.584 -0.155 0.000 1.188 53 A CA 2.240 54.168 52.037 -0.182 0.000 0.631 53 A CB -1.214 17.358 19.000 -0.713 0.000 0.822 53 A HN 0.480 nan 8.150 nan 0.000 0.447 54 F N 0.083 120.004 119.950 -0.047 0.000 2.171 54 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 54 F C 2.761 178.546 175.800 -0.025 0.000 1.090 54 F CA 0.559 58.534 58.000 -0.041 0.000 1.293 54 F CB -0.844 38.141 39.000 -0.025 0.000 1.013 54 F HN 0.263 nan 8.300 nan 0.000 0.486 55 A N -0.363 122.567 122.820 0.183 0.000 2.015 55 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 55 A C 2.202 179.822 177.584 0.059 0.000 1.163 55 A CA 1.121 53.221 52.037 0.104 0.000 0.646 55 A CB -0.857 18.192 19.000 0.083 0.000 0.806 55 A HN 0.410 nan 8.150 nan 0.000 0.448 56 L N -0.815 120.444 121.223 0.061 0.000 2.375 56 L HA 0.031 4.371 4.340 -0.000 0.000 0.215 56 L C 2.164 178.980 176.870 -0.090 0.000 1.108 56 L CA 0.067 54.920 54.840 0.022 0.000 0.830 56 L CB -0.375 41.742 42.059 0.097 0.000 0.959 56 L HN 0.356 nan 8.230 nan 0.000 0.457 57 L N 0.667 121.848 121.223 -0.069 0.000 2.058 57 L HA -0.267 4.073 4.340 -0.000 0.000 0.226 57 L C -0.270 176.552 176.870 -0.079 0.000 1.089 57 L CA 2.014 56.802 54.840 -0.087 0.000 0.799 57 L CB -1.937 40.135 42.059 0.020 0.000 0.900 57 L HN 0.288 nan 8.230 nan 0.000 0.442 58 P HA -0.166 nan 4.420 nan 0.000 0.221 58 P C 1.768 179.116 177.300 0.079 0.000 1.145 58 P CA 1.413 64.525 63.100 0.019 0.000 0.795 58 P CB 0.026 31.743 31.700 0.029 0.000 0.775 59 L N -1.117 120.153 121.223 0.078 0.000 2.095 59 L HA -0.002 4.338 4.340 -0.000 0.000 0.204 59 L C 2.602 179.641 176.870 0.282 0.000 1.080 59 L CA 1.226 56.223 54.840 0.260 0.000 0.759 59 L CB -1.188 41.024 42.059 0.255 0.000 0.914 59 L HN -0.085 nan 8.230 nan 0.000 0.439 60 A N 0.320 123.052 122.820 -0.148 0.000 1.933 60 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 60 A C 2.470 180.079 177.584 0.042 0.000 1.175 60 A CA 1.767 53.705 52.037 -0.165 0.000 0.628 60 A CB -0.647 18.062 19.000 -0.485 0.000 0.814 60 A HN 0.387 nan 8.150 nan 0.000 0.444 61 A N -0.452 122.371 122.820 0.005 0.000 2.066 61 A HA 0.294 4.614 4.320 -0.000 0.000 0.218 61 A C 2.314 179.912 177.584 0.024 0.000 1.157 61 A CA 1.529 53.564 52.037 -0.004 0.000 0.670 61 A CB -0.710 18.267 19.000 -0.037 0.000 0.804 61 A HN 1.014 nan 8.150 nan 0.000 0.453 62 A N -1.293 121.587 122.820 0.099 0.000 2.121 62 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 62 A C 1.807 179.374 177.584 -0.028 0.000 1.154 62 A CA 1.356 53.437 52.037 0.072 0.000 0.679 62 A CB -0.976 18.155 19.000 0.217 0.000 0.795 62 A HN 0.575 nan 8.150 nan 0.000 0.458 63 C N 0.067 119.390 119.300 0.037 0.000 2.573 63 C HA 0.516 4.976 4.460 -0.000 0.000 0.273 63 C C 1.577 176.540 174.990 -0.045 0.000 1.346 63 C CA -0.623 58.375 59.018 -0.034 0.000 1.702 63 C CB -2.143 25.651 27.740 0.090 0.000 1.751 63 C HN 0.632 nan 8.230 nan 0.000 0.583 64 A N 1.216 124.011 122.820 -0.041 0.000 2.351 64 A HA 0.568 4.888 4.320 -0.000 0.000 0.257 64 A C 0.250 177.794 177.584 -0.067 0.000 1.087 64 A CA 0.181 52.186 52.037 -0.053 0.000 0.798 64 A CB 0.352 19.314 19.000 -0.064 0.000 1.033 64 A HN 0.485 nan 8.150 nan 0.000 0.488 65 R N 2.050 122.506 120.500 -0.073 0.000 2.352 65 R HA 0.316 4.655 4.340 -0.000 0.000 0.304 65 R C -0.653 175.587 176.300 -0.101 0.000 1.104 65 R CA 0.038 56.098 56.100 -0.065 0.000 0.991 65 R CB 0.706 30.991 30.300 -0.024 0.000 1.140 65 R HN 0.812 nan 8.270 nan 0.000 0.540 66 T N -1.536 112.975 114.554 -0.071 0.000 3.532 66 T HA 0.239 4.589 4.350 -0.000 0.000 0.241 66 T C -1.634 173.039 174.700 -0.045 0.000 1.238 66 T CA -1.446 60.612 62.100 -0.071 0.000 1.405 66 T CB 1.090 69.929 68.868 -0.048 0.000 0.971 66 T HN 0.099 nan 8.240 nan 0.000 0.640 67 P HA -0.095 nan 4.420 nan 0.000 0.217 67 P C 1.256 178.540 177.300 -0.025 0.000 1.148 67 P CA 0.494 63.583 63.100 -0.019 0.000 0.828 67 P CB 0.258 31.954 31.700 -0.006 0.000 0.783 68 L N 0.058 121.254 121.223 -0.045 0.000 2.115 68 L HA -0.004 4.336 4.340 -0.000 0.000 0.200 68 L C 2.714 179.561 176.870 -0.039 0.000 1.094 68 L CA 2.320 57.133 54.840 -0.044 0.000 0.769 68 L CB -1.872 40.148 42.059 -0.064 0.000 0.931 68 L HN 0.024 nan 8.230 nan 0.000 0.455 69 S N -1.209 114.465 115.700 -0.043 0.000 2.395 69 S HA -0.097 4.373 4.470 -0.000 0.000 0.225 69 S C 1.050 175.667 174.600 0.029 0.000 1.027 69 S CA 0.693 58.880 58.200 -0.022 0.000 0.965 69 S CB -0.328 62.864 63.200 -0.013 0.000 0.812 69 S HN 0.496 nan 8.310 nan 0.000 0.482 70 N N 0.049 118.764 118.700 0.024 0.000 2.782 70 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 70 N C -0.896 174.661 175.510 0.077 0.000 1.101 70 N CA 0.879 53.948 53.050 0.030 0.000 0.764 70 N CB -1.763 36.737 38.487 0.022 0.000 1.122 70 N HN 0.601 nan 8.380 nan 0.000 0.561 71 F N 1.938 121.823 119.950 -0.108 0.000 2.311 71 F HA 0.364 4.891 4.527 -0.000 0.000 0.371 71 F C -0.114 175.607 175.800 -0.132 0.000 1.083 71 F CA -0.960 56.959 58.000 -0.135 0.000 1.113 71 F CB 0.384 39.276 39.000 -0.180 0.000 1.349 71 F HN -0.162 nan 8.300 nan 0.000 0.470 72 N N 5.540 124.044 118.700 -0.326 0.000 2.430 72 N HA 0.278 5.018 4.740 -0.000 0.000 0.265 72 N C -1.003 174.287 175.510 -0.368 0.000 1.100 72 N CA -0.091 52.800 53.050 -0.263 0.000 0.961 72 N CB 2.051 40.444 38.487 -0.157 0.000 1.075 72 N HN 0.244 nan 8.380 nan 0.000 0.478 73 V N 0.796 120.571 119.914 -0.231 0.000 2.487 73 V HA 0.640 4.760 4.120 -0.000 0.000 0.298 73 V C 0.652 176.709 176.094 -0.061 0.000 1.028 73 V CA -0.927 61.275 62.300 -0.164 0.000 0.860 73 V CB 1.799 33.572 31.823 -0.083 0.000 0.991 73 V HN 0.707 nan 8.190 nan 0.000 0.427 74 G N 2.647 111.423 108.800 -0.040 0.000 2.420 74 G HA2 0.830 4.789 3.960 -0.000 0.000 0.331 74 G HA3 0.830 4.789 3.960 -0.000 0.000 0.331 74 G C -0.751 174.143 174.900 -0.011 0.000 1.168 74 G CA -0.235 44.848 45.100 -0.028 0.000 0.936 74 G HN 1.154 nan 8.290 nan 0.000 0.479 75 A N 0.936 123.751 122.820 -0.008 0.000 2.556 75 A HA 0.828 5.148 4.320 -0.000 0.000 0.294 75 A C -1.089 176.483 177.584 -0.019 0.000 1.091 75 A CA -0.630 51.408 52.037 0.001 0.000 0.704 75 A CB 1.392 20.424 19.000 0.054 0.000 1.300 75 A HN 0.686 nan 8.150 nan 0.000 0.406 76 I N 1.338 121.875 120.570 -0.053 0.000 2.468 76 I HA 0.512 4.682 4.170 -0.000 0.000 0.284 76 I C 0.331 176.406 176.117 -0.070 0.000 1.038 76 I CA -0.477 60.794 61.300 -0.049 0.000 1.083 76 I CB 1.862 39.740 38.000 -0.203 0.000 1.223 76 I HN 0.746 nan 8.210 nan 0.000 0.443 77 A N 7.055 129.921 122.820 0.078 0.000 2.301 77 A HA 0.664 4.984 4.320 -0.000 0.000 0.298 77 A C -0.108 177.514 177.584 0.064 0.000 1.185 77 A CA -0.530 51.548 52.037 0.069 0.000 0.830 77 A CB 0.434 19.514 19.000 0.133 0.000 1.112 77 A HN 0.720 nan 8.150 nan 0.000 0.508 78 R N 2.458 122.918 120.500 -0.067 0.000 2.246 78 R HA 0.414 4.754 4.340 -0.000 0.000 0.332 78 R C 0.543 176.931 176.300 0.147 0.000 0.974 78 R CA -0.250 55.811 56.100 -0.065 0.000 0.837 78 R CB 1.621 31.739 30.300 -0.303 0.000 1.145 78 R HN 0.833 nan 8.270 nan 0.000 0.467 79 G N 0.729 109.719 108.800 0.317 0.000 2.544 79 G HA2 0.046 4.006 3.960 -0.000 0.000 0.242 79 G HA3 0.046 4.006 3.960 -0.000 0.000 0.242 79 G C 0.831 175.851 174.900 0.200 0.000 1.247 79 G CA -0.585 44.697 45.100 0.302 0.000 0.840 79 G HN 0.414 nan 8.290 nan 0.000 0.578 80 V N 1.290 121.294 119.914 0.150 0.000 3.380 80 V HA -0.084 4.036 4.120 -0.000 0.000 0.268 80 V C 2.698 178.857 176.094 0.108 0.000 1.168 80 V CA 2.071 64.437 62.300 0.110 0.000 1.156 80 V CB -0.047 31.825 31.823 0.081 0.000 0.785 80 V HN 0.881 nan 8.190 nan 0.000 0.487 81 S N -0.687 115.092 115.700 0.131 0.000 2.496 81 S HA 0.203 4.673 4.470 -0.000 0.000 0.224 81 S C 1.685 176.339 174.600 0.090 0.000 0.996 81 S CA 1.026 59.290 58.200 0.107 0.000 0.927 81 S CB 0.621 63.900 63.200 0.132 0.000 0.774 81 S HN 1.117 nan 8.310 nan 0.000 0.524 82 G N 0.194 109.070 108.800 0.128 0.000 2.213 82 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.226 82 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.226 82 G C 0.211 175.163 174.900 0.085 0.000 0.992 82 G CA 0.115 45.278 45.100 0.104 0.000 0.632 82 G HN 0.646 nan 8.290 nan 0.000 0.511 83 T N 1.171 115.768 114.554 0.071 0.000 2.907 83 T HA 0.471 4.820 4.350 -0.000 0.000 0.298 83 T C -0.523 174.223 174.700 0.076 0.000 1.017 83 T CA 0.260 62.309 62.100 -0.086 0.000 1.118 83 T CB 0.948 69.645 68.868 -0.285 0.000 0.948 83 T HN 0.259 nan 8.240 nan 0.000 0.531 84 W N 2.790 123.881 121.300 -0.348 0.000 2.475 84 W HA 0.482 5.141 4.660 -0.000 0.000 0.317 84 W C -1.101 175.245 176.519 -0.289 0.000 1.046 84 W CA -1.544 55.703 57.345 -0.163 0.000 1.215 84 W CB 0.107 29.574 29.460 0.012 0.000 1.335 84 W HN 0.584 nan 8.180 nan 0.000 0.471 85 Y N 3.258 123.666 120.300 0.181 0.000 2.352 85 Y HA 0.428 4.978 4.550 -0.000 0.000 0.339 85 Y C 0.252 176.378 175.900 0.375 0.000 0.992 85 Y CA -1.236 56.875 58.100 0.019 0.000 1.100 85 Y CB 0.639 38.902 38.460 -0.328 0.000 1.192 85 Y HN 0.089 nan 8.280 nan 0.000 0.458 86 F N 1.370 121.508 119.950 0.314 0.000 2.399 86 F HA 0.644 5.171 4.527 -0.000 0.000 0.313 86 F C 0.861 176.877 175.800 0.360 0.000 1.202 86 F CA -1.179 57.004 58.000 0.305 0.000 1.192 86 F CB 0.811 39.983 39.000 0.287 0.000 1.256 86 F HN 0.544 nan 8.300 nan 0.000 0.558 87 G N -0.625 108.415 108.800 0.401 0.000 2.702 87 G HA2 0.699 4.659 3.960 -0.000 0.000 0.296 87 G HA3 0.699 4.659 3.960 -0.000 0.000 0.296 87 G C -2.214 172.778 174.900 0.154 0.000 1.463 87 G CA -0.236 45.020 45.100 0.261 0.000 0.890 87 G HN 0.882 nan 8.290 nan 0.000 0.534 88 A N 1.375 124.261 122.820 0.109 0.000 2.612 88 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 88 A C -0.491 177.103 177.584 0.018 0.000 1.075 88 A CA -0.897 51.171 52.037 0.051 0.000 0.680 88 A CB 1.435 20.463 19.000 0.046 0.000 1.279 88 A HN 1.296 nan 8.150 nan 0.000 0.411 89 N N 0.649 119.333 118.700 -0.026 0.000 2.503 89 N HA 0.531 5.270 4.740 -0.000 0.000 0.267 89 N C -0.622 174.819 175.510 -0.114 0.000 1.214 89 N CA 0.213 53.219 53.050 -0.074 0.000 0.959 89 N CB 0.482 38.892 38.487 -0.129 0.000 1.142 89 N HN 0.655 nan 8.380 nan 0.000 0.455 90 M N 0.437 119.928 119.600 -0.183 0.000 2.326 90 M HA 0.298 4.778 4.480 -0.000 0.000 0.292 90 M C -1.014 174.907 176.300 -0.630 0.000 1.081 90 M CA -0.467 54.627 55.300 -0.343 0.000 0.919 90 M CB 2.610 35.052 32.600 -0.263 0.000 1.634 90 M HN 0.444 nan 8.290 nan 0.000 0.451 91 E N 2.321 122.127 120.200 -0.657 0.000 2.187 91 E HA 0.542 4.892 4.350 -0.000 0.000 0.268 91 E C -1.617 174.535 176.600 -0.747 0.000 0.896 91 E CA -0.516 55.517 56.400 -0.612 0.000 0.766 91 E CB 2.025 31.558 29.700 -0.279 0.000 1.142 91 E HN 0.365 nan 8.360 nan 0.000 0.408 92 F N 3.064 122.985 119.950 -0.049 0.000 2.347 92 F HA 0.295 4.822 4.527 -0.000 0.000 0.366 92 F C 0.235 175.987 175.800 -0.080 0.000 1.107 92 F CA -1.059 56.887 58.000 -0.091 0.000 1.058 92 F CB 0.402 39.322 39.000 -0.134 0.000 1.236 92 F HN 0.264 nan 8.300 nan 0.000 0.456 93 I N 2.718 123.335 120.570 0.080 0.000 2.815 93 I HA 0.115 4.284 4.170 -0.000 0.000 0.291 93 I C 1.443 177.579 176.117 0.032 0.000 1.209 93 I CA 0.665 61.989 61.300 0.040 0.000 1.431 93 I CB -0.176 37.841 38.000 0.028 0.000 1.351 93 I HN 0.909 nan 8.210 nan 0.000 0.585 94 G N 3.805 112.614 108.800 0.015 0.000 2.179 94 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.260 94 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.260 94 G C 0.427 175.322 174.900 -0.008 0.000 0.977 94 G CA 0.541 45.639 45.100 -0.002 0.000 0.641 94 G HN 1.034 nan 8.290 nan 0.000 0.533 95 A N -0.859 121.971 122.820 0.017 0.000 3.847 95 A HA 1.005 5.325 4.320 -0.000 0.000 0.152 95 A C 0.762 178.356 177.584 0.016 0.000 1.527 95 A CA 1.024 53.066 52.037 0.009 0.000 1.022 95 A CB 0.304 19.317 19.000 0.022 0.000 1.715 95 A HN 1.760 nan 8.150 nan 0.000 0.650 96 T N -3.504 111.066 114.554 0.026 0.000 2.930 96 T HA 0.461 4.811 4.350 -0.000 0.000 0.290 96 T C 0.912 175.628 174.700 0.027 0.000 1.052 96 T CA -0.635 61.476 62.100 0.018 0.000 1.017 96 T CB 1.057 69.930 68.868 0.008 0.000 1.137 96 T HN 0.308 nan 8.240 nan 0.000 0.511 97 M N 0.381 119.985 119.600 0.006 0.000 2.202 97 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 97 M C 1.904 178.208 176.300 0.007 0.000 1.063 97 M CA 1.649 56.945 55.300 -0.006 0.000 1.097 97 M CB -1.415 31.172 32.600 -0.022 0.000 1.382 97 M HN 0.714 nan 8.290 nan 0.000 0.413 98 Q N 0.050 119.860 119.800 0.018 0.000 2.508 98 Q HA -0.099 4.241 4.340 -0.000 0.000 0.214 98 Q C 1.677 177.719 176.000 0.069 0.000 0.979 98 Q CA 0.846 56.669 55.803 0.033 0.000 0.911 98 Q CB -0.153 28.608 28.738 0.038 0.000 0.969 98 Q HN 0.448 nan 8.270 nan 0.000 0.504 99 Q N -0.743 119.114 119.800 0.094 0.000 2.392 99 Q HA 0.111 4.451 4.340 -0.000 0.000 0.203 99 Q C 0.063 176.225 176.000 0.270 0.000 0.917 99 Q CA 0.262 56.166 55.803 0.168 0.000 0.939 99 Q CB 0.365 29.204 28.738 0.169 0.000 1.063 99 Q HN 0.265 nan 8.270 nan 0.000 0.516 100 T N 1.270 115.907 114.554 0.138 0.000 2.903 100 T HA 0.200 4.550 4.350 -0.000 0.000 0.314 100 T C 0.194 174.957 174.700 0.106 0.000 1.078 100 T CA -0.087 62.034 62.100 0.034 0.000 1.114 100 T CB 1.112 69.948 68.868 -0.053 0.000 0.987 100 T HN 0.114 nan 8.240 nan 0.000 0.548 101 V N 2.528 122.460 119.914 0.030 0.000 2.540 101 V HA 0.476 4.596 4.120 -0.000 0.000 0.302 101 V C -0.540 175.590 176.094 0.059 0.000 1.035 101 V CA -0.869 61.501 62.300 0.116 0.000 0.873 101 V CB 1.436 33.341 31.823 0.137 0.000 0.992 101 V HN 0.913 nan 8.190 nan 0.000 0.428 102 H N 3.954 123.029 119.070 0.008 0.000 2.511 102 H HA 0.476 5.032 4.556 -0.000 0.000 0.346 102 H C 1.365 176.702 175.328 0.015 0.000 1.128 102 H CA -0.034 56.028 56.048 0.023 0.000 1.342 102 H CB 2.293 32.099 29.762 0.072 0.000 1.470 102 H HN 0.975 nan 8.280 nan 0.000 0.546 103 A N 3.320 126.205 122.820 0.109 0.000 1.927 103 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 103 A C 2.044 179.695 177.584 0.111 0.000 1.185 103 A CA 2.113 54.204 52.037 0.089 0.000 0.639 103 A CB -0.380 18.659 19.000 0.064 0.000 0.820 103 A HN 0.773 nan 8.150 nan 0.000 0.451 104 E N -0.025 120.250 120.200 0.126 0.000 2.077 104 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 104 E C 2.182 178.826 176.600 0.072 0.000 0.989 104 E CA 1.649 58.110 56.400 0.102 0.000 0.800 104 E CB -0.355 29.402 29.700 0.095 0.000 0.746 104 E HN 0.800 nan 8.360 nan 0.000 0.452 105 Q N 0.165 119.941 119.800 -0.039 0.000 2.119 105 Q HA -0.099 4.240 4.340 -0.000 0.000 0.201 105 Q C 2.313 178.334 176.000 0.034 0.000 0.972 105 Q CA 1.225 56.900 55.803 -0.214 0.000 0.847 105 Q CB -0.166 28.258 28.738 -0.524 0.000 0.903 105 Q HN 0.131 nan 8.270 nan 0.000 0.433 106 S N 0.397 116.147 115.700 0.083 0.000 2.359 106 S HA -0.255 4.215 4.470 -0.000 0.000 0.222 106 S C 2.013 176.740 174.600 0.211 0.000 1.038 106 S CA 1.407 59.689 58.200 0.136 0.000 1.051 106 S CB -0.346 62.928 63.200 0.123 0.000 0.944 106 S HN 0.524 nan 8.310 nan 0.000 0.433 107 A N 0.902 123.850 122.820 0.214 0.000 1.902 107 A HA -0.041 4.278 4.320 -0.000 0.000 0.217 107 A C 2.113 179.819 177.584 0.203 0.000 1.181 107 A CA 1.583 53.775 52.037 0.258 0.000 0.623 107 A CB -0.744 18.377 19.000 0.202 0.000 0.818 107 A HN 0.612 nan 8.150 nan 0.000 0.443 108 I N 0.076 120.762 120.570 0.192 0.000 2.394 108 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 108 I C 2.496 178.756 176.117 0.237 0.000 1.136 108 I CA 1.351 62.761 61.300 0.184 0.000 1.425 108 I CB -0.141 38.022 38.000 0.270 0.000 1.079 108 I HN 0.268 nan 8.210 nan 0.000 0.425 109 S N -0.885 115.003 115.700 0.313 0.000 2.371 109 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 109 S C 1.862 176.640 174.600 0.297 0.000 1.029 109 S CA 0.898 59.344 58.200 0.410 0.000 0.978 109 S CB -0.623 62.805 63.200 0.379 0.000 0.833 109 S HN 0.532 nan 8.310 nan 0.000 0.466 110 H N 1.736 120.868 119.070 0.104 0.000 2.267 110 H HA -0.233 4.323 4.556 -0.000 0.000 0.291 110 H C 2.307 177.536 175.328 -0.166 0.000 1.094 110 H CA 1.446 57.523 56.048 0.047 0.000 1.227 110 H CB -0.298 29.542 29.762 0.130 0.000 1.351 110 H HN 0.422 nan 8.280 nan 0.000 0.483 111 A N 0.733 123.335 122.820 -0.363 0.000 1.851 111 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 111 A C 2.274 179.672 177.584 -0.309 0.000 1.195 111 A CA 1.657 53.067 52.037 -1.044 0.000 0.622 111 A CB -1.532 16.935 19.000 -0.889 0.000 0.831 111 A HN 0.815 nan 8.150 nan 0.000 0.444 112 W N 0.734 121.913 121.300 -0.202 0.000 2.335 112 W HA -0.170 4.490 4.660 0.000 0.000 0.311 112 W C 1.780 178.285 176.519 -0.023 0.000 1.213 112 W CA 1.841 59.137 57.345 -0.082 0.000 1.274 112 W CB -0.725 28.723 29.460 -0.022 0.000 1.148 112 W HN 0.244 nan 8.180 nan 0.000 0.498 113 L N 0.405 121.547 121.223 -0.135 0.000 2.131 113 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 113 L C 2.423 179.207 176.870 -0.144 0.000 1.092 113 L CA 1.574 56.206 54.840 -0.347 0.000 0.759 113 L CB -0.991 40.978 42.059 -0.149 0.000 0.903 113 L HN -0.112 nan 8.230 nan 0.000 0.435 114 S N -0.648 115.043 115.700 -0.016 0.000 2.515 114 S HA 0.033 4.503 4.470 -0.000 0.000 0.231 114 S C 1.474 176.108 174.600 0.057 0.000 0.987 114 S CA 0.919 59.167 58.200 0.080 0.000 0.936 114 S CB 0.208 63.541 63.200 0.221 0.000 0.766 114 S HN 0.708 nan 8.310 nan 0.000 0.528 115 G N 1.165 109.969 108.800 0.007 0.000 2.184 115 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.206 115 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.206 115 G C -0.125 174.826 174.900 0.084 0.000 0.995 115 G CA -0.078 45.045 45.100 0.038 0.000 0.651 115 G HN 0.435 nan 8.290 nan 0.000 0.511 116 E N 1.096 121.348 120.200 0.087 0.000 2.465 116 E HA 0.383 4.733 4.350 -0.000 0.000 0.260 116 E C 1.542 178.209 176.600 0.111 0.000 0.980 116 E CA 0.099 56.564 56.400 0.108 0.000 0.927 116 E CB 0.521 30.243 29.700 0.036 0.000 0.934 116 E HN 0.159 nan 8.360 nan 0.000 0.459 117 K N 2.265 122.723 120.400 0.097 0.000 2.305 117 K HA 0.223 4.543 4.320 -0.000 0.000 0.199 117 K C -0.160 176.471 176.600 0.052 0.000 1.047 117 K CA 0.813 57.147 56.287 0.077 0.000 0.976 117 K CB 0.334 32.871 32.500 0.061 0.000 0.765 117 K HN 0.483 nan 8.250 nan 0.000 0.474 118 A N 0.302 123.155 122.820 0.053 0.000 2.583 118 A HA 0.543 4.863 4.320 -0.000 0.000 0.292 118 A C -1.506 176.105 177.584 0.044 0.000 1.045 118 A CA -0.802 51.251 52.037 0.026 0.000 0.672 118 A CB 0.599 19.608 19.000 0.015 0.000 1.283 118 A HN 0.036 nan 8.150 nan 0.000 0.419 119 L N 0.614 121.851 121.223 0.024 0.000 2.334 119 L HA 0.729 5.069 4.340 -0.000 0.000 0.272 119 L C 1.222 178.113 176.870 0.035 0.000 1.020 119 L CA -0.222 54.642 54.840 0.040 0.000 0.812 119 L CB 1.920 43.994 42.059 0.024 0.000 1.264 119 L HN 1.014 nan 8.230 nan 0.000 0.439 120 A N 1.342 124.188 122.820 0.044 0.000 2.013 120 A HA 0.738 5.058 4.320 -0.000 0.000 0.204 120 A C 0.593 178.199 177.584 0.037 0.000 1.262 120 A CA 0.770 52.832 52.037 0.042 0.000 0.800 120 A CB 0.345 19.379 19.000 0.056 0.000 0.909 120 A HN 0.765 nan 8.150 nan 0.000 0.472 121 A N -1.303 121.526 122.820 0.015 0.000 2.586 121 A HA 0.706 5.026 4.320 -0.000 0.000 0.290 121 A C -1.541 176.032 177.584 -0.019 0.000 1.086 121 A CA -0.175 51.878 52.037 0.027 0.000 0.665 121 A CB 0.475 19.495 19.000 0.033 0.000 1.279 121 A HN 0.798 nan 8.150 nan 0.000 0.423 122 I N -0.069 120.513 120.570 0.020 0.000 2.722 122 I HA 0.671 4.841 4.170 -0.000 0.000 0.295 122 I C -1.124 174.991 176.117 -0.003 0.000 1.161 122 I CA -0.021 61.264 61.300 -0.025 0.000 1.032 122 I CB 2.487 40.491 38.000 0.007 0.000 1.244 122 I HN 0.642 nan 8.210 nan 0.000 0.421 123 T N 5.977 120.477 114.554 -0.090 0.000 2.824 123 T HA 0.697 5.046 4.350 -0.000 0.000 0.282 123 T C -0.981 173.720 174.700 0.001 0.000 0.993 123 T CA -0.480 61.575 62.100 -0.075 0.000 0.967 123 T CB 1.695 70.348 68.868 -0.357 0.000 0.960 123 T HN 0.303 nan 8.240 nan 0.000 0.441 124 V N 3.057 123.030 119.914 0.098 0.000 2.925 124 V HA 0.410 4.530 4.120 -0.000 0.000 0.311 124 V C 0.557 176.730 176.094 0.132 0.000 1.104 124 V CA -1.204 61.151 62.300 0.092 0.000 0.954 124 V CB 2.266 34.141 31.823 0.085 0.000 1.022 124 V HN 0.948 nan 8.190 nan 0.000 0.427 125 N N 0.718 119.485 118.700 0.113 0.000 2.370 125 N HA 0.073 4.813 4.740 -0.000 0.000 0.198 125 N C -0.668 174.934 175.510 0.153 0.000 1.156 125 N CA 0.228 53.343 53.050 0.108 0.000 0.839 125 N CB 0.076 38.603 38.487 0.067 0.000 0.989 125 N HN 0.696 nan 8.380 nan 0.000 0.468 126 Y N -0.889 119.434 120.300 0.037 0.000 2.521 126 Y HA 0.237 4.787 4.550 0.000 0.000 0.332 126 Y C -0.342 175.607 175.900 0.081 0.000 1.121 126 Y CA -0.909 57.234 58.100 0.072 0.000 1.037 126 Y CB 1.581 40.102 38.460 0.102 0.000 1.330 126 Y HN -0.090 nan 8.280 nan 0.000 0.452 127 T N 6.329 120.867 114.554 -0.027 0.000 2.946 127 T HA 0.237 4.587 4.350 -0.000 0.000 0.311 127 T C -2.530 172.271 174.700 0.170 0.000 1.063 127 T CA -0.873 61.263 62.100 0.059 0.000 1.139 127 T CB 0.215 69.121 68.868 0.063 0.000 0.994 127 T HN 0.335 nan 8.240 nan 0.000 0.547 128 P HA 0.263 nan 4.420 nan 0.000 0.279 128 P C 0.253 177.627 177.300 0.124 0.000 1.239 128 P CA -0.737 62.417 63.100 0.091 0.000 0.789 128 P CB -0.008 31.682 31.700 -0.017 0.000 0.933 129 C N 0.933 120.336 119.300 0.170 0.000 2.649 129 C HA 0.492 4.952 4.460 -0.000 0.000 0.377 129 C C 2.283 177.339 174.990 0.110 0.000 1.321 129 C CA 0.472 59.583 59.018 0.155 0.000 2.368 129 C CB -0.512 27.349 27.740 0.202 0.000 2.597 129 C HN 0.742 nan 8.230 nan 0.000 0.678 130 G N -0.588 108.276 108.800 0.106 0.000 2.432 130 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 130 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 130 G C 1.653 176.605 174.900 0.086 0.000 1.135 130 G CA 1.140 46.295 45.100 0.090 0.000 0.767 130 G HN 1.045 nan 8.290 nan 0.000 0.550 131 H N 0.018 119.069 119.070 -0.031 0.000 2.319 131 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 131 H C 2.314 177.611 175.328 -0.052 0.000 1.092 131 H CA 1.738 57.742 56.048 -0.073 0.000 1.302 131 H CB -0.305 29.337 29.762 -0.201 0.000 1.373 131 H HN 0.308 nan 8.280 nan 0.000 0.497 132 C N 1.035 120.231 119.300 -0.173 0.000 2.457 132 C HA -0.012 4.448 4.460 -0.000 0.000 0.278 132 C C 2.988 177.988 174.990 0.016 0.000 1.309 132 C CA 0.679 59.629 59.018 -0.113 0.000 1.735 132 C CB -0.767 26.966 27.740 -0.012 0.000 1.992 132 C HN 0.603 nan 8.230 nan 0.000 0.493 133 R N 0.575 121.091 120.500 0.026 0.000 2.120 133 R HA -0.194 4.145 4.340 -0.000 0.000 0.234 133 R C 2.133 178.460 176.300 0.045 0.000 1.123 133 R CA 1.529 57.656 56.100 0.044 0.000 0.975 133 R CB -0.398 29.944 30.300 0.070 0.000 0.866 133 R HN 0.511 nan 8.270 nan 0.000 0.446 134 Q N 0.469 120.293 119.800 0.039 0.000 2.083 134 Q HA -0.133 4.207 4.340 -0.000 0.000 0.198 134 Q C 1.680 177.694 176.000 0.023 0.000 0.969 134 Q CA 1.315 57.145 55.803 0.046 0.000 0.838 134 Q CB -0.263 28.511 28.738 0.060 0.000 0.900 134 Q HN 0.261 nan 8.270 nan 0.000 0.436 135 F N 0.471 120.327 119.950 -0.158 0.000 2.065 135 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 135 F C 1.860 177.594 175.800 -0.110 0.000 1.112 135 F CA 1.972 59.873 58.000 -0.165 0.000 1.212 135 F CB -0.307 38.539 39.000 -0.257 0.000 0.975 135 F HN 0.128 nan 8.300 nan 0.000 0.476 136 M N -0.362 119.244 119.600 0.011 0.000 2.195 136 M HA -0.266 4.214 4.480 -0.000 0.000 0.260 136 M C 1.528 177.750 176.300 -0.131 0.000 1.066 136 M CA 1.809 57.069 55.300 -0.068 0.000 1.089 136 M CB -0.790 31.819 32.600 0.015 0.000 1.377 136 M HN 0.137 nan 8.290 nan 0.000 0.411 137 N N 0.474 119.115 118.700 -0.099 0.000 2.521 137 N HA -0.105 4.634 4.740 -0.000 0.000 0.188 137 N C 1.233 176.661 175.510 -0.137 0.000 1.146 137 N CA 0.703 53.699 53.050 -0.089 0.000 0.893 137 N CB 0.076 38.542 38.487 -0.036 0.000 0.975 137 N HN 0.266 nan 8.380 nan 0.000 0.451 138 E N -0.728 119.332 120.200 -0.233 0.000 2.318 138 E HA 0.084 4.434 4.350 -0.000 0.000 0.193 138 E C -0.160 176.248 176.600 -0.320 0.000 0.998 138 E CA 0.082 56.329 56.400 -0.256 0.000 0.859 138 E CB 0.087 29.568 29.700 -0.364 0.000 0.812 138 E HN 0.117 nan 8.360 nan 0.000 0.492 139 L N 2.084 123.113 121.223 -0.323 0.000 2.473 139 L HA 0.030 4.370 4.340 -0.000 0.000 0.268 139 L C 1.333 178.078 176.870 -0.209 0.000 1.215 139 L CA 0.434 55.094 54.840 -0.300 0.000 0.823 139 L CB 0.064 41.990 42.059 -0.221 0.000 1.099 139 L HN 0.238 nan 8.230 nan 0.000 0.483 140 N N -0.579 118.002 118.700 -0.198 0.000 2.443 140 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 140 N C 1.112 176.570 175.510 -0.087 0.000 1.037 140 N CA 1.234 54.206 53.050 -0.131 0.000 0.896 140 N CB -0.542 37.878 38.487 -0.112 0.000 0.959 140 N HN 0.601 nan 8.380 nan 0.000 0.442 141 S N -1.552 114.099 115.700 -0.082 0.000 2.561 141 S HA 0.284 4.754 4.470 -0.000 0.000 0.225 141 S C 1.403 175.977 174.600 -0.043 0.000 0.977 141 S CA 0.073 58.244 58.200 -0.048 0.000 0.926 141 S CB -1.089 62.089 63.200 -0.037 0.000 0.769 141 S HN 0.718 nan 8.310 nan 0.000 0.533 142 G N 2.376 111.139 108.800 -0.063 0.000 2.594 142 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.297 142 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.297 142 G C 0.434 175.317 174.900 -0.028 0.000 1.273 142 G CA 0.459 45.528 45.100 -0.051 0.000 0.974 142 G HN 0.518 nan 8.290 nan 0.000 0.552 143 L N 1.040 122.255 121.223 -0.014 0.000 2.552 143 L HA 0.137 4.477 4.340 -0.000 0.000 0.227 143 L C 2.128 179.010 176.870 0.020 0.000 1.146 143 L CA 0.817 55.661 54.840 0.007 0.000 0.858 143 L CB -0.175 41.890 42.059 0.010 0.000 0.969 143 L HN 0.429 nan 8.230 nan 0.000 0.451 144 D N 0.208 120.615 120.400 0.010 0.000 2.277 144 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 144 D C 1.036 177.349 176.300 0.023 0.000 0.962 144 D CA 0.314 54.324 54.000 0.017 0.000 0.865 144 D CB 0.130 40.936 40.800 0.009 0.000 0.939 144 D HN 0.101 nan 8.370 nan 0.000 0.510 145 L N 2.072 123.305 121.223 0.016 0.000 2.593 145 L HA -0.101 4.239 4.340 -0.000 0.000 0.287 145 L C 0.408 177.297 176.870 0.031 0.000 1.243 145 L CA 0.653 55.505 54.840 0.019 0.000 0.890 145 L CB 0.362 42.425 42.059 0.008 0.000 1.134 145 L HN -0.199 nan 8.230 nan 0.000 0.502 146 R N 5.838 126.356 120.500 0.029 0.000 2.486 146 R HA 0.568 4.908 4.340 -0.000 0.000 0.286 146 R C -0.883 175.409 176.300 -0.013 0.000 0.999 146 R CA -0.697 55.403 56.100 0.001 0.000 0.993 146 R CB 1.167 31.465 30.300 -0.003 0.000 1.084 146 R HN 0.649 nan 8.270 nan 0.000 0.487 147 I N 2.834 123.350 120.570 -0.090 0.000 2.466 147 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 147 I C -0.247 175.757 176.117 -0.188 0.000 1.026 147 I CA -0.561 60.694 61.300 -0.075 0.000 1.078 147 I CB 1.856 39.797 38.000 -0.099 0.000 1.249 147 I HN 0.321 nan 8.210 nan 0.000 0.429 148 H N 7.119 126.195 119.070 0.011 0.000 2.505 148 H HA 0.634 5.189 4.556 -0.000 0.000 0.338 148 H C -0.963 174.514 175.328 0.249 0.000 1.057 148 H CA -0.588 55.526 56.048 0.110 0.000 1.202 148 H CB 2.205 31.911 29.762 -0.094 0.000 1.466 148 H HN 0.319 nan 8.280 nan 0.000 0.499 149 L N 3.915 125.380 121.223 0.403 0.000 2.354 149 L HA 0.398 4.737 4.340 -0.000 0.000 0.264 149 L C -2.468 174.416 176.870 0.022 0.000 1.008 149 L CA -2.386 52.604 54.840 0.250 0.000 0.819 149 L CB 2.452 44.566 42.059 0.092 0.000 1.339 149 L HN 0.363 nan 8.230 nan 0.000 0.420 150 P HA 0.133 nan 4.420 nan 0.000 0.271 150 P C 0.593 177.710 177.300 -0.304 0.000 1.220 150 P CA 0.376 63.142 63.100 -0.556 0.000 0.768 150 P CB 0.799 32.268 31.700 -0.384 0.000 0.848 151 G N 1.842 110.451 108.800 -0.318 0.000 2.198 151 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 151 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 151 G C -0.010 174.844 174.900 -0.077 0.000 1.025 151 G CA -0.100 44.904 45.100 -0.161 0.000 0.769 151 G HN 0.583 nan 8.290 nan 0.000 0.507 152 R N -0.624 119.847 120.500 -0.048 0.000 2.740 152 R HA 0.597 4.936 4.340 -0.000 0.000 0.273 152 R C -0.554 175.761 176.300 0.026 0.000 0.998 152 R CA -0.962 55.157 56.100 0.032 0.000 0.900 152 R CB 0.858 31.226 30.300 0.114 0.000 1.223 152 R HN 0.238 nan 8.270 nan 0.000 0.466 153 E N 0.801 120.988 120.200 -0.021 0.000 2.390 153 E HA 0.458 4.808 4.350 -0.000 0.000 0.261 153 E C -0.243 176.140 176.600 -0.361 0.000 1.076 153 E CA -0.448 55.861 56.400 -0.152 0.000 0.905 153 E CB 0.478 30.072 29.700 -0.177 0.000 0.984 153 E HN 0.605 nan 8.360 nan 0.000 0.427 154 A N 2.282 124.881 122.820 -0.367 0.000 2.313 154 A HA 0.545 4.865 4.320 -0.000 0.000 0.261 154 A C -0.627 176.535 177.584 -0.703 0.000 1.090 154 A CA -0.132 51.618 52.037 -0.479 0.000 0.807 154 A CB 0.190 18.872 19.000 -0.529 0.000 1.055 154 A HN 0.735 nan 8.150 nan 0.000 0.492 155 H N -1.793 117.259 119.070 -0.031 0.000 3.017 155 H HA 0.585 5.141 4.556 -0.000 0.000 0.346 155 H C 0.037 175.403 175.328 0.063 0.000 1.286 155 H CA -0.060 56.013 56.048 0.042 0.000 1.120 155 H CB 1.773 31.602 29.762 0.110 0.000 1.860 155 H HN 0.975 nan 8.280 nan 0.000 0.542 156 A N 0.867 123.817 122.820 0.217 0.000 2.287 156 A HA 0.280 4.600 4.320 -0.000 0.000 0.273 156 A C 0.995 178.697 177.584 0.198 0.000 1.091 156 A CA -0.359 51.762 52.037 0.140 0.000 0.817 156 A CB 0.343 19.393 19.000 0.083 0.000 1.069 156 A HN 0.689 nan 8.150 nan 0.000 0.492 157 L N 0.941 122.246 121.223 0.136 0.000 2.083 157 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 157 L C 2.646 179.599 176.870 0.139 0.000 1.083 157 L CA 2.508 57.439 54.840 0.153 0.000 0.752 157 L CB -0.714 41.388 42.059 0.072 0.000 0.899 157 L HN 0.892 nan 8.230 nan 0.000 0.433 158 R N -1.084 119.463 120.500 0.080 0.000 2.170 158 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 158 R C 1.303 177.614 176.300 0.019 0.000 1.145 158 R CA 1.793 57.919 56.100 0.044 0.000 0.984 158 R CB -0.952 29.362 30.300 0.023 0.000 0.869 158 R HN 0.351 nan 8.270 nan 0.000 0.455 159 D N -0.088 120.318 120.400 0.010 0.000 2.234 159 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 159 D C 1.060 177.220 176.300 -0.233 0.000 0.962 159 D CA 1.050 54.962 54.000 -0.147 0.000 0.855 159 D CB -0.092 40.539 40.800 -0.283 0.000 0.951 159 D HN 0.357 nan 8.370 nan 0.000 0.500 160 Y N -0.494 119.782 120.300 -0.041 0.000 2.482 160 Y HA 0.228 4.778 4.550 0.000 0.000 0.270 160 Y C 0.784 176.680 175.900 -0.007 0.000 1.152 160 Y CA 0.055 58.139 58.100 -0.026 0.000 1.292 160 Y CB 0.701 39.164 38.460 0.005 0.000 1.070 160 Y HN -0.163 nan 8.280 nan 0.000 0.528 161 L N 1.781 123.075 121.223 0.119 0.000 2.551 161 L HA 0.469 4.809 4.340 -0.000 0.000 0.248 161 L C -2.852 174.043 176.870 0.042 0.000 1.509 161 L CA -2.188 52.701 54.840 0.083 0.000 0.842 161 L CB 0.348 42.460 42.059 0.089 0.000 1.087 161 L HN -0.248 nan 8.230 nan 0.000 0.512 162 P HA 0.141 nan 4.420 nan 0.000 0.268 162 P C -0.105 177.205 177.300 0.017 0.000 1.205 162 P CA 0.222 63.323 63.100 0.001 0.000 0.771 162 P CB 0.512 32.200 31.700 -0.020 0.000 0.858 163 D N 0.087 120.495 120.400 0.015 0.000 2.697 163 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 163 D C -0.249 176.081 176.300 0.049 0.000 1.167 163 D CA 0.792 54.807 54.000 0.025 0.000 0.656 163 D CB -0.980 39.831 40.800 0.019 0.000 1.025 163 D HN 0.504 nan 8.370 nan 0.000 0.419 164 A N 0.777 123.626 122.820 0.049 0.000 2.425 164 A HA 0.423 4.743 4.320 -0.000 0.000 0.242 164 A C 0.114 177.765 177.584 0.111 0.000 1.077 164 A CA -0.185 51.897 52.037 0.076 0.000 0.781 164 A CB 0.272 19.300 19.000 0.047 0.000 1.020 164 A HN 0.368 nan 8.150 nan 0.000 0.494 165 F N 1.151 121.091 119.950 -0.015 0.000 2.422 165 F HA 0.656 5.182 4.527 -0.000 0.000 0.333 165 F C 0.506 176.294 175.800 -0.021 0.000 1.095 165 F CA 0.545 58.531 58.000 -0.023 0.000 1.038 165 F CB 1.469 40.448 39.000 -0.036 0.000 1.156 165 F HN 0.841 nan 8.300 nan 0.000 0.483 166 G N 4.597 112.895 108.800 -0.836 0.000 2.561 166 G HA2 0.307 4.267 3.960 -0.000 0.000 0.310 166 G HA3 0.307 4.267 3.960 -0.000 0.000 0.310 166 G C -2.754 171.845 174.900 -0.503 0.000 1.292 166 G CA -0.842 43.959 45.100 -0.499 0.000 0.811 166 G HN 0.262 nan 8.290 nan 0.000 0.482 167 P HA -0.105 nan 4.420 nan 0.000 0.217 167 P C 1.736 178.999 177.300 -0.061 0.000 1.148 167 P CA 1.578 64.666 63.100 -0.020 0.000 0.828 167 P CB 0.128 31.869 31.700 0.069 0.000 0.783 168 K N -0.314 120.017 120.400 -0.115 0.000 2.097 168 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 168 K C 1.430 177.964 176.600 -0.110 0.000 1.049 168 K CA 1.335 57.570 56.287 -0.088 0.000 0.933 168 K CB -1.468 30.979 32.500 -0.089 0.000 0.717 168 K HN 0.184 nan 8.250 nan 0.000 0.442 169 D N 1.261 121.524 120.400 -0.228 0.000 2.221 169 D HA -0.096 4.544 4.640 -0.000 0.000 0.204 169 D C 1.509 177.744 176.300 -0.107 0.000 0.982 169 D CA 0.933 54.794 54.000 -0.232 0.000 0.857 169 D CB 0.148 40.598 40.800 -0.583 0.000 0.934 169 D HN 0.264 nan 8.370 nan 0.000 0.475 170 L N 0.048 121.228 121.223 -0.072 0.000 2.910 170 L HA 0.170 4.510 4.340 -0.000 0.000 0.252 170 L C -0.033 176.877 176.870 0.068 0.000 1.195 170 L CA -0.004 54.870 54.840 0.056 0.000 1.003 170 L CB 0.083 42.250 42.059 0.181 0.000 1.328 170 L HN -0.110 nan 8.230 nan 0.000 0.540 171 E N 0.827 121.038 120.200 0.019 0.000 2.476 171 E HA -0.200 4.150 4.350 -0.000 0.000 0.251 171 E C -0.165 176.445 176.600 0.016 0.000 1.130 171 E CA 0.213 56.621 56.400 0.014 0.000 0.736 171 E CB -0.807 28.905 29.700 0.020 0.000 1.298 171 E HN 0.236 nan 8.360 nan 0.000 0.400 172 I N 0.660 121.244 120.570 0.022 0.000 2.353 172 I HA 0.117 4.287 4.170 -0.000 0.000 0.293 172 I C 1.428 177.538 176.117 -0.012 0.000 0.992 172 I CA 0.087 61.385 61.300 -0.003 0.000 1.268 172 I CB 1.407 39.409 38.000 0.003 0.000 1.387 172 I HN 0.036 nan 8.210 nan 0.000 0.478 173 K N 2.314 122.701 120.400 -0.021 0.000 2.354 173 K HA 0.082 4.402 4.320 -0.000 0.000 0.194 173 K C 0.229 176.821 176.600 -0.014 0.000 1.045 173 K CA 0.366 56.644 56.287 -0.016 0.000 1.026 173 K CB 0.508 33.000 32.500 -0.013 0.000 0.866 173 K HN 0.756 nan 8.250 nan 0.000 0.530 174 T N 0.360 114.911 114.554 -0.005 0.000 2.767 174 T HA 0.460 4.810 4.350 -0.000 0.000 0.284 174 T C -0.214 174.502 174.700 0.026 0.000 0.973 174 T CA -0.905 61.203 62.100 0.013 0.000 0.996 174 T CB 1.263 70.156 68.868 0.041 0.000 0.927 174 T HN -0.258 nan 8.240 nan 0.000 0.456 175 L N 2.570 123.747 121.223 -0.077 0.000 2.365 175 L HA 0.566 4.906 4.340 -0.000 0.000 0.267 175 L C 0.214 176.786 176.870 -0.496 0.000 1.033 175 L CA -1.616 53.092 54.840 -0.221 0.000 0.802 175 L CB 0.742 42.690 42.059 -0.185 0.000 1.267 175 L HN 0.696 nan 8.230 nan 0.000 0.457 176 L N 2.502 123.228 121.223 -0.828 0.000 2.453 176 L HA 0.233 4.573 4.340 -0.000 0.000 0.272 176 L C 0.743 177.239 176.870 -0.623 0.000 1.182 176 L CA 0.819 55.044 54.840 -1.026 0.000 0.858 176 L CB -0.078 41.317 42.059 -1.106 0.000 1.120 176 L HN 0.680 nan 8.230 nan 0.000 0.474 177 M N 0.223 119.481 119.600 -0.571 0.000 3.035 177 M HA -0.204 4.276 4.480 -0.000 0.000 0.218 177 M C -0.265 175.992 176.300 -0.073 0.000 0.567 177 M CA 0.618 55.776 55.300 -0.238 0.000 0.833 177 M CB -1.538 30.957 32.600 -0.175 0.000 2.966 177 M HN 0.620 nan 8.290 nan 0.000 0.300 178 D N 1.748 122.079 120.400 -0.114 0.000 2.371 178 D HA 0.291 4.931 4.640 -0.000 0.000 0.242 178 D C 0.185 176.503 176.300 0.030 0.000 1.218 178 D CA 0.152 54.130 54.000 -0.038 0.000 0.945 178 D CB 0.516 41.287 40.800 -0.049 0.000 1.137 178 D HN 0.199 nan 8.370 nan 0.000 0.464 179 E N 0.385 120.604 120.200 0.031 0.000 2.229 179 E HA 0.222 4.572 4.350 -0.000 0.000 0.283 179 E C -0.480 176.136 176.600 0.028 0.000 1.030 179 E CA -0.202 56.224 56.400 0.044 0.000 0.836 179 E CB 0.671 30.387 29.700 0.026 0.000 1.068 179 E HN 0.178 nan 8.360 nan 0.000 0.401 180 Q N 2.566 122.380 119.800 0.023 0.000 2.379 180 Q HA 0.431 4.771 4.340 -0.000 0.000 0.278 180 Q C -1.519 174.363 176.000 -0.196 0.000 1.068 180 Q CA -0.940 54.814 55.803 -0.082 0.000 0.816 180 Q CB 2.509 31.229 28.738 -0.029 0.000 1.387 180 Q HN 0.353 nan 8.270 nan 0.000 0.413 181 D N 0.126 120.310 120.400 -0.361 0.000 2.452 181 D HA 0.163 4.803 4.640 -0.000 0.000 0.226 181 D C -0.155 175.936 176.300 -0.349 0.000 1.366 181 D CA -0.310 53.507 54.000 -0.306 0.000 0.986 181 D CB 0.663 41.393 40.800 -0.118 0.000 1.420 181 D HN 0.563 nan 8.370 nan 0.000 0.583 182 H N 3.055 122.170 119.070 0.076 0.000 2.547 182 H HA 0.228 4.784 4.556 -0.000 0.000 0.272 182 H C 1.437 176.664 175.328 -0.169 0.000 0.989 182 H CA 1.014 57.078 56.048 0.027 0.000 1.214 182 H CB 0.448 30.333 29.762 0.204 0.000 1.389 182 H HN 0.707 nan 8.280 nan 0.000 0.577 183 G N 0.628 109.394 108.800 -0.055 0.000 2.176 183 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.252 183 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.252 183 G C -0.491 174.284 174.900 -0.208 0.000 1.024 183 G CA -0.101 44.923 45.100 -0.126 0.000 0.755 183 G HN 0.351 nan 8.290 nan 0.000 0.507 184 Y N 0.339 120.676 120.300 0.062 0.000 2.336 184 Y HA 0.516 5.066 4.550 -0.000 0.000 0.331 184 Y C 1.067 176.984 175.900 0.029 0.000 1.211 184 Y CA 0.160 58.288 58.100 0.046 0.000 1.346 184 Y CB 0.979 39.471 38.460 0.053 0.000 1.271 184 Y HN 0.489 nan 8.280 nan 0.000 0.538 185 A N 3.401 126.319 122.820 0.164 0.000 2.425 185 A HA 0.435 4.755 4.320 -0.000 0.000 0.249 185 A C -0.778 176.863 177.584 0.096 0.000 1.084 185 A CA -0.499 51.594 52.037 0.094 0.000 0.781 185 A CB -0.015 19.024 19.000 0.065 0.000 1.019 185 A HN 0.645 nan 8.150 nan 0.000 0.490 186 L N 2.320 123.581 121.223 0.063 0.000 2.326 186 L HA 0.572 4.912 4.340 -0.000 0.000 0.278 186 L C 0.994 177.883 176.870 0.031 0.000 1.092 186 L CA 0.968 55.837 54.840 0.047 0.000 0.810 186 L CB 1.415 43.495 42.059 0.033 0.000 1.153 186 L HN 0.986 nan 8.230 nan 0.000 0.439 187 T N -0.212 114.356 114.554 0.023 0.000 2.792 187 T HA 0.845 5.195 4.350 -0.000 0.000 0.303 187 T C -0.085 174.618 174.700 0.005 0.000 1.310 187 T CA -0.251 61.857 62.100 0.013 0.000 1.007 187 T CB 1.353 70.229 68.868 0.014 0.000 1.335 187 T HN 1.250 nan 8.240 nan 0.000 0.504 188 G N 1.558 110.359 108.800 0.001 0.000 2.632 188 G HA2 0.087 4.047 3.960 -0.000 0.000 0.224 188 G HA3 0.087 4.047 3.960 -0.000 0.000 0.224 188 G C -0.439 174.458 174.900 -0.005 0.000 1.341 188 G CA 0.251 45.349 45.100 -0.004 0.000 0.880 188 G HN 1.466 nan 8.290 nan 0.000 0.566 189 D N 0.189 120.585 120.400 -0.007 0.000 2.314 189 D HA 0.524 5.164 4.640 -0.000 0.000 0.252 189 D C 1.878 178.171 176.300 -0.011 0.000 1.295 189 D CA 0.896 54.891 54.000 -0.009 0.000 0.995 189 D CB -0.266 40.529 40.800 -0.009 0.000 1.125 189 D HN 1.392 nan 8.370 nan 0.000 0.537 190 A N -0.656 122.154 122.820 -0.016 0.000 1.877 190 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 190 A C 2.220 179.791 177.584 -0.022 0.000 1.186 190 A CA 1.674 53.698 52.037 -0.022 0.000 0.620 190 A CB -0.993 17.988 19.000 -0.031 0.000 0.822 190 A HN 0.460 nan 8.150 nan 0.000 0.443 191 L N 0.254 121.464 121.223 -0.021 0.000 2.013 191 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 191 L C 2.702 179.568 176.870 -0.008 0.000 1.073 191 L CA 2.569 57.399 54.840 -0.017 0.000 0.753 191 L CB -0.735 41.318 42.059 -0.010 0.000 0.890 191 L HN 0.354 nan 8.230 nan 0.000 0.432 192 S N -1.170 114.527 115.700 -0.005 0.000 2.382 192 S HA -0.220 4.250 4.470 -0.000 0.000 0.228 192 S C 1.820 176.419 174.600 -0.001 0.000 1.027 192 S CA 1.270 59.468 58.200 -0.003 0.000 0.991 192 S CB -0.257 62.941 63.200 -0.004 0.000 0.823 192 S HN 0.561 nan 8.310 nan 0.000 0.469 193 Q N 0.575 120.373 119.800 -0.003 0.000 2.172 193 Q HA 0.079 4.419 4.340 -0.000 0.000 0.200 193 Q C 2.484 178.484 176.000 0.001 0.000 0.964 193 Q CA 1.054 56.858 55.803 0.002 0.000 0.855 193 Q CB -0.310 28.428 28.738 -0.000 0.000 0.918 193 Q HN 0.596 nan 8.270 nan 0.000 0.444 194 A N 1.266 124.080 122.820 -0.009 0.000 1.902 194 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 194 A C 2.306 179.889 177.584 -0.001 0.000 1.181 194 A CA 1.586 53.615 52.037 -0.013 0.000 0.623 194 A CB -0.779 18.204 19.000 -0.028 0.000 0.818 194 A HN 0.389 nan 8.150 nan 0.000 0.443 195 A N 0.095 122.917 122.820 0.003 0.000 1.883 195 A HA -0.110 4.209 4.320 -0.000 0.000 0.217 195 A C 2.106 179.698 177.584 0.014 0.000 1.186 195 A CA 1.618 53.661 52.037 0.011 0.000 0.624 195 A CB -0.625 18.380 19.000 0.010 0.000 0.822 195 A HN 0.505 nan 8.150 nan 0.000 0.444 196 I N -0.491 120.087 120.570 0.013 0.000 2.394 196 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 196 I C 2.860 179.012 176.117 0.059 0.000 1.136 196 I CA 1.000 62.315 61.300 0.024 0.000 1.425 196 I CB -0.448 37.572 38.000 0.033 0.000 1.079 196 I HN 0.381 nan 8.210 nan 0.000 0.425 197 A N 0.938 123.784 122.820 0.043 0.000 1.929 197 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 197 A C 2.595 180.206 177.584 0.044 0.000 1.176 197 A CA 1.411 53.475 52.037 0.046 0.000 0.628 197 A CB -0.582 18.430 19.000 0.019 0.000 0.816 197 A HN 0.389 nan 8.150 nan 0.000 0.444 198 A N 0.187 123.023 122.820 0.026 0.000 1.908 198 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 198 A C 2.473 180.110 177.584 0.089 0.000 1.181 198 A CA 2.188 54.238 52.037 0.021 0.000 0.627 198 A CB -1.027 17.981 19.000 0.014 0.000 0.818 198 A HN 1.099 nan 8.150 nan 0.000 0.445 199 A N -0.270 122.610 122.820 0.100 0.000 2.019 199 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 199 A C 1.879 179.628 177.584 0.275 0.000 1.164 199 A CA 1.685 53.809 52.037 0.144 0.000 0.644 199 A CB -0.580 18.439 19.000 0.032 0.000 0.805 199 A HN 0.527 nan 8.150 nan 0.000 0.449 200 N N -0.249 118.600 118.700 0.248 0.000 2.381 200 N HA -0.055 4.685 4.740 -0.000 0.000 0.182 200 N C 1.495 177.150 175.510 0.241 0.000 1.025 200 N CA 0.698 53.937 53.050 0.315 0.000 0.888 200 N CB -0.202 38.395 38.487 0.183 0.000 0.965 200 N HN 0.475 nan 8.380 nan 0.000 0.438 201 R N 0.614 121.236 120.500 0.205 0.000 2.317 201 R HA 0.108 4.448 4.340 -0.000 0.000 0.208 201 R C 0.456 177.021 176.300 0.441 0.000 0.914 201 R CA -0.077 56.137 56.100 0.190 0.000 1.060 201 R CB 0.074 30.408 30.300 0.058 0.000 1.015 201 R HN 0.138 nan 8.270 nan 0.000 0.498 202 S N 0.780 116.785 115.700 0.509 0.000 2.563 202 S HA -0.081 4.388 4.470 -0.000 0.000 0.284 202 S C -0.164 174.770 174.600 0.556 0.000 1.331 202 S CA -0.320 58.214 58.200 0.556 0.000 1.047 202 S CB 0.617 64.089 63.200 0.454 0.000 0.859 202 S HN 0.321 nan 8.310 nan 0.000 0.514 203 H N 3.001 122.231 119.070 0.267 0.000 2.641 203 H HA 0.528 5.084 4.556 -0.000 0.000 0.295 203 H C -0.305 174.952 175.328 -0.119 0.000 1.070 203 H CA -0.858 55.207 56.048 0.028 0.000 1.257 203 H CB 0.373 30.027 29.762 -0.180 0.000 1.393 203 H HN 0.727 nan 8.280 nan 0.000 0.464 204 M N 4.427 123.769 119.600 -0.429 0.000 4.568 204 M HA 0.296 4.776 4.480 -0.000 0.000 0.533 204 M C -2.734 173.327 176.300 -0.398 0.000 2.143 204 M CA -1.478 53.598 55.300 -0.373 0.000 0.483 204 M CB 1.135 33.721 32.600 -0.024 0.000 1.438 204 M HN 0.187 nan 8.290 nan 0.000 0.591 205 P HA -0.075 nan 4.420 nan 0.000 0.223 205 P C 0.541 177.510 177.300 -0.552 0.000 1.151 205 P CA 1.505 64.242 63.100 -0.606 0.000 0.787 205 P CB -0.036 31.184 31.700 -0.800 0.000 0.788 206 Y N 0.966 121.174 120.300 -0.154 0.000 2.201 206 Y HA -0.047 4.503 4.550 -0.000 0.000 0.292 206 Y C 2.913 178.767 175.900 -0.077 0.000 1.119 206 Y CA 1.693 59.745 58.100 -0.080 0.000 1.127 206 Y CB -1.352 37.027 38.460 -0.134 0.000 1.019 206 Y HN 0.056 nan 8.280 nan 0.000 0.514 207 S N -1.225 114.489 115.700 0.022 0.000 2.492 207 S HA 0.065 4.535 4.470 -0.000 0.000 0.218 207 S C 0.771 175.375 174.600 0.008 0.000 1.016 207 S CA 0.030 58.238 58.200 0.014 0.000 0.916 207 S CB 0.006 63.215 63.200 0.015 0.000 0.791 207 S HN 0.251 nan 8.310 nan 0.000 0.513 208 K N 0.782 121.167 120.400 -0.026 0.000 3.230 208 K HA -0.099 4.221 4.320 -0.000 0.000 0.285 208 K C -0.833 175.762 176.600 -0.010 0.000 1.196 208 K CA 0.817 57.081 56.287 -0.039 0.000 0.838 208 K CB -2.748 29.738 32.500 -0.023 0.000 1.262 208 K HN 0.512 nan 8.250 nan 0.000 0.492 209 S N 1.927 117.649 115.700 0.037 0.000 2.528 209 S HA 0.330 4.800 4.470 -0.000 0.000 0.303 209 S C -2.258 172.350 174.600 0.013 0.000 1.123 209 S CA -1.076 57.122 58.200 -0.003 0.000 1.138 209 S CB 1.630 64.804 63.200 -0.043 0.000 0.984 209 S HN 0.003 nan 8.310 nan 0.000 0.474 210 P HA 0.286 nan 4.420 nan 0.000 0.271 210 P C -0.377 176.886 177.300 -0.062 0.000 1.216 210 P CA -0.089 63.018 63.100 0.011 0.000 0.776 210 P CB 0.876 32.547 31.700 -0.049 0.000 0.881 211 S N 1.184 116.893 115.700 0.015 0.000 2.588 211 S HA 0.881 5.351 4.470 -0.000 0.000 0.269 211 S C -0.870 173.768 174.600 0.064 0.000 1.157 211 S CA -0.605 57.558 58.200 -0.061 0.000 0.824 211 S CB 1.596 64.653 63.200 -0.240 0.000 1.126 211 S HN 0.668 nan 8.310 nan 0.000 0.464 212 G N -0.139 108.679 108.800 0.030 0.000 2.703 212 G HA2 0.609 4.569 3.960 -0.000 0.000 0.294 212 G HA3 0.609 4.569 3.960 -0.000 0.000 0.294 212 G C -2.051 172.872 174.900 0.037 0.000 1.451 212 G CA -0.564 44.571 45.100 0.059 0.000 0.869 212 G HN 1.132 nan 8.290 nan 0.000 0.516 213 V N 0.118 120.058 119.914 0.043 0.000 2.709 213 V HA 0.868 4.988 4.120 -0.000 0.000 0.308 213 V C -0.012 176.101 176.094 0.033 0.000 1.062 213 V CA -0.400 61.920 62.300 0.034 0.000 0.901 213 V CB 1.736 33.575 31.823 0.027 0.000 1.003 213 V HN 1.482 nan 8.190 nan 0.000 0.425 214 A N 5.344 128.181 122.820 0.028 0.000 2.371 214 A HA 0.947 5.267 4.320 -0.000 0.000 0.311 214 A C -1.326 176.276 177.584 0.030 0.000 1.068 214 A CA -0.528 51.525 52.037 0.027 0.000 0.744 214 A CB 1.314 20.318 19.000 0.008 0.000 1.239 214 A HN 0.748 nan 8.150 nan 0.000 0.435 215 L N 1.191 122.444 121.223 0.050 0.000 2.346 215 L HA 0.590 4.930 4.340 -0.000 0.000 0.274 215 L C 0.043 176.927 176.870 0.023 0.000 1.007 215 L CA -0.465 54.408 54.840 0.054 0.000 0.818 215 L CB 2.097 44.216 42.059 0.101 0.000 1.284 215 L HN 0.839 nan 8.230 nan 0.000 0.424 216 E N 1.386 121.590 120.200 0.006 0.000 2.145 216 E HA 0.395 4.744 4.350 -0.000 0.000 0.270 216 E C -1.237 175.358 176.600 -0.007 0.000 0.906 216 E CA -0.613 55.769 56.400 -0.031 0.000 0.761 216 E CB 1.546 31.231 29.700 -0.024 0.000 1.116 216 E HN 0.626 nan 8.360 nan 0.000 0.408 217 C N 3.541 122.816 119.300 -0.042 0.000 2.345 217 C HA 0.238 4.698 4.460 -0.000 0.000 0.369 217 C C 1.781 176.795 174.990 0.041 0.000 1.273 217 C CA -0.606 58.427 59.018 0.024 0.000 2.310 217 C CB 0.887 28.642 27.740 0.025 0.000 2.219 217 C HN 0.902 nan 8.230 nan 0.000 0.587 218 K N 1.506 121.962 120.400 0.092 0.000 2.020 218 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 218 K C 1.284 177.919 176.600 0.058 0.000 1.050 218 K CA 2.293 58.626 56.287 0.077 0.000 0.929 218 K CB -0.342 32.215 32.500 0.095 0.000 0.714 218 K HN 0.860 nan 8.250 nan 0.000 0.443 219 D N -1.335 119.114 120.400 0.082 0.000 2.358 219 D HA 0.029 4.669 4.640 -0.000 0.000 0.241 219 D C 0.949 177.245 176.300 -0.006 0.000 1.094 219 D CA 0.832 54.858 54.000 0.043 0.000 0.907 219 D CB -0.234 40.603 40.800 0.061 0.000 0.893 219 D HN 0.336 nan 8.370 nan 0.000 0.528 220 G N 0.103 108.888 108.800 -0.024 0.000 2.179 220 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.260 220 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.260 220 G C 0.466 175.289 174.900 -0.128 0.000 0.977 220 G CA 0.132 45.195 45.100 -0.061 0.000 0.641 220 G HN 0.690 nan 8.290 nan 0.000 0.533 221 R N 0.439 120.831 120.500 -0.180 0.000 2.643 221 R HA 0.612 4.952 4.340 -0.000 0.000 0.270 221 R C 0.123 176.130 176.300 -0.488 0.000 1.061 221 R CA 0.129 56.009 56.100 -0.368 0.000 1.107 221 R CB 0.131 30.139 30.300 -0.486 0.000 0.999 221 R HN 0.306 nan 8.270 nan 0.000 0.460 222 I N 4.323 124.531 120.570 -0.602 0.000 2.498 222 I HA 0.322 4.491 4.170 -0.000 0.000 0.290 222 I C -1.080 174.622 176.117 -0.692 0.000 1.032 222 I CA -0.789 60.205 61.300 -0.511 0.000 1.073 222 I CB 1.517 39.364 38.000 -0.255 0.000 1.251 222 I HN 0.492 nan 8.210 nan 0.000 0.426 223 F N 4.039 123.913 119.950 -0.126 0.000 2.467 223 F HA 0.508 5.035 4.527 -0.000 0.000 0.336 223 F C 0.434 176.193 175.800 -0.070 0.000 1.123 223 F CA -0.595 57.343 58.000 -0.104 0.000 0.964 223 F CB 2.070 40.998 39.000 -0.120 0.000 1.136 223 F HN 0.363 nan 8.300 nan 0.000 0.447 224 S N 1.498 117.274 115.700 0.126 0.000 2.568 224 S HA 0.963 5.433 4.470 -0.000 0.000 0.293 224 S C -0.591 174.031 174.600 0.038 0.000 1.089 224 S CA -0.754 57.481 58.200 0.059 0.000 0.945 224 S CB 1.985 65.192 63.200 0.012 0.000 1.077 224 S HN 0.934 nan 8.310 nan 0.000 0.485 225 G N 0.614 109.433 108.800 0.033 0.000 2.566 225 G HA2 0.590 4.550 3.960 -0.000 0.000 0.311 225 G HA3 0.590 4.550 3.960 -0.000 0.000 0.311 225 G C -1.034 173.898 174.900 0.053 0.000 1.322 225 G CA -0.647 44.475 45.100 0.036 0.000 0.969 225 G HN 0.733 nan 8.290 nan 0.000 0.490 226 S N 0.050 115.769 115.700 0.031 0.000 2.565 226 S HA 0.424 4.894 4.470 -0.000 0.000 0.290 226 S C -0.864 173.990 174.600 0.423 0.000 1.150 226 S CA -0.459 57.829 58.200 0.147 0.000 1.058 226 S CB 1.247 64.421 63.200 -0.042 0.000 1.032 226 S HN 0.528 nan 8.310 nan 0.000 0.510 227 Y N 2.381 122.851 120.300 0.283 0.000 2.425 227 Y HA 0.447 4.997 4.550 0.000 0.000 0.331 227 Y C -0.136 176.002 175.900 0.397 0.000 1.157 227 Y CA -1.178 57.089 58.100 0.278 0.000 1.372 227 Y CB 0.184 38.741 38.460 0.163 0.000 1.253 227 Y HN 0.624 nan 8.280 nan 0.000 0.536 228 A N 6.843 129.680 122.820 0.028 0.000 2.410 228 A HA 0.402 4.722 4.320 -0.000 0.000 0.289 228 A C -0.453 176.978 177.584 -0.254 0.000 1.200 228 A CA -0.805 51.181 52.037 -0.085 0.000 0.751 228 A CB 0.336 19.323 19.000 -0.023 0.000 1.161 228 A HN 0.851 nan 8.150 nan 0.000 0.459 229 E N 1.328 121.293 120.200 -0.391 0.000 2.391 229 E HA 0.167 4.517 4.350 -0.000 0.000 0.255 229 E C -0.391 176.266 176.600 0.096 0.000 1.187 229 E CA -0.321 55.945 56.400 -0.223 0.000 0.941 229 E CB 0.825 30.412 29.700 -0.189 0.000 1.010 229 E HN 0.674 nan 8.360 nan 0.000 0.458 230 N N -0.375 118.388 118.700 0.105 0.000 2.260 230 N HA 0.175 4.915 4.740 -0.000 0.000 0.293 230 N C -0.108 175.339 175.510 -0.105 0.000 1.058 230 N CA -0.051 53.053 53.050 0.091 0.000 0.824 230 N CB 1.806 40.349 38.487 0.094 0.000 1.551 230 N HN 0.449 nan 8.380 nan 0.000 0.475 231 A N 2.924 125.648 122.820 -0.160 0.000 1.948 231 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 231 A C 1.661 179.313 177.584 0.113 0.000 1.177 231 A CA 2.195 54.015 52.037 -0.362 0.000 0.636 231 A CB -0.603 18.320 19.000 -0.128 0.000 0.815 231 A HN 0.723 nan 8.150 nan 0.000 0.449 232 A N -2.827 120.133 122.820 0.233 0.000 2.276 232 A HA 0.423 4.743 4.320 -0.000 0.000 0.212 232 A C 0.903 178.616 177.584 0.216 0.000 1.230 232 A CA 0.501 52.630 52.037 0.153 0.000 0.844 232 A CB -0.711 18.348 19.000 0.099 0.000 0.860 232 A HN 0.593 nan 8.150 nan 0.000 0.486 233 F N -1.309 118.584 119.950 -0.095 0.000 2.550 233 F HA -0.425 4.102 4.527 -0.000 0.000 0.715 233 F C 1.571 177.391 175.800 0.034 0.000 0.486 233 F CA 2.015 59.987 58.000 -0.046 0.000 0.724 233 F CB -1.874 37.106 39.000 -0.033 0.000 1.603 233 F HN 0.388 nan 8.300 nan 0.000 0.270 234 N N 1.643 120.509 118.700 0.277 0.000 2.091 234 N HA -0.124 4.615 4.740 -0.000 0.000 0.193 234 N C -1.143 174.501 175.510 0.223 0.000 1.021 234 N CA 2.145 55.319 53.050 0.206 0.000 0.862 234 N CB -1.320 37.265 38.487 0.162 0.000 1.018 234 N HN 0.416 nan 8.380 nan 0.000 0.429 235 P HA 0.019 nan 4.420 nan 0.000 0.239 235 P C -0.297 177.167 177.300 0.273 0.000 1.184 235 P CA 0.508 63.745 63.100 0.229 0.000 0.760 235 P CB -0.190 31.532 31.700 0.037 0.000 0.884 236 T N 1.115 115.808 114.554 0.231 0.000 2.939 236 T HA -0.039 4.311 4.350 -0.000 0.000 0.312 236 T C 0.323 175.174 174.700 0.251 0.000 1.064 236 T CA 0.612 62.834 62.100 0.204 0.000 1.136 236 T CB 0.117 69.055 68.868 0.117 0.000 1.035 236 T HN -0.016 nan 8.240 nan 0.000 0.538 237 L N 6.163 127.554 121.223 0.280 0.000 2.257 237 L HA 0.343 4.683 4.340 -0.000 0.000 0.290 237 L C -2.035 175.030 176.870 0.324 0.000 1.044 237 L CA -2.318 52.688 54.840 0.278 0.000 0.810 237 L CB 1.628 43.888 42.059 0.335 0.000 1.193 237 L HN 0.430 nan 8.230 nan 0.000 0.425 238 P HA 0.193 nan 4.420 nan 0.000 0.274 238 P C -2.221 175.246 177.300 0.278 0.000 1.231 238 P CA -1.432 61.859 63.100 0.318 0.000 0.790 238 P CB 0.089 31.890 31.700 0.169 0.000 0.951 239 P HA -0.113 nan 4.420 nan 0.000 0.217 239 P C 1.709 179.073 177.300 0.108 0.000 1.150 239 P CA 1.122 64.338 63.100 0.193 0.000 0.832 239 P CB -0.070 31.709 31.700 0.131 0.000 0.787 240 L N -0.796 120.457 121.223 0.050 0.000 2.012 240 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 240 L C 2.471 179.349 176.870 0.014 0.000 1.073 240 L CA 1.980 56.816 54.840 -0.006 0.000 0.748 240 L CB -0.636 41.373 42.059 -0.084 0.000 0.891 240 L HN -0.071 nan 8.230 nan 0.000 0.431 241 Q N -0.174 119.659 119.800 0.055 0.000 2.096 241 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 241 Q C 2.024 178.092 176.000 0.115 0.000 0.982 241 Q CA 1.805 57.667 55.803 0.098 0.000 0.850 241 Q CB -0.878 27.950 28.738 0.151 0.000 0.901 241 Q HN 0.645 nan 8.270 nan 0.000 0.422 242 G N 0.137 109.018 108.800 0.134 0.000 2.529 242 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 242 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 242 G C 1.467 176.407 174.900 0.066 0.000 1.177 242 G CA 1.399 46.575 45.100 0.126 0.000 0.773 242 G HN 0.501 nan 8.290 nan 0.000 0.573 243 A N 0.531 123.383 122.820 0.054 0.000 1.883 243 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 243 A C 2.478 180.046 177.584 -0.026 0.000 1.186 243 A CA 1.523 53.582 52.037 0.037 0.000 0.624 243 A CB -0.493 18.540 19.000 0.056 0.000 0.822 243 A HN 0.373 nan 8.150 nan 0.000 0.444 244 L N -0.713 120.513 121.223 0.005 0.000 2.191 244 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 244 L C 2.415 179.293 176.870 0.013 0.000 1.103 244 L CA 0.882 55.740 54.840 0.030 0.000 0.769 244 L CB -0.537 41.584 42.059 0.104 0.000 0.908 244 L HN 0.388 nan 8.230 nan 0.000 0.438 245 I N -0.320 120.261 120.570 0.018 0.000 2.142 245 I HA -0.319 3.851 4.170 -0.000 0.000 0.240 245 I C 2.437 178.465 176.117 -0.148 0.000 1.078 245 I CA 1.397 62.692 61.300 -0.008 0.000 1.343 245 I CB -0.193 37.833 38.000 0.044 0.000 1.046 245 I HN 0.176 nan 8.210 nan 0.000 0.405 246 L N 0.142 121.246 121.223 -0.198 0.000 1.989 246 L HA -0.274 4.066 4.340 -0.000 0.000 0.211 246 L C 2.631 179.078 176.870 -0.705 0.000 1.071 246 L CA 1.526 56.168 54.840 -0.330 0.000 0.749 246 L CB -0.735 41.257 42.059 -0.112 0.000 0.890 246 L HN 0.342 nan 8.230 nan 0.000 0.431 247 L N 0.226 120.859 121.223 -0.984 0.000 2.013 247 L HA -0.308 4.032 4.340 -0.000 0.000 0.212 247 L C 2.515 179.100 176.870 -0.475 0.000 1.073 247 L CA 2.153 56.249 54.840 -1.239 0.000 0.753 247 L CB -0.516 41.095 42.059 -0.747 0.000 0.890 247 L HN 0.442 nan 8.230 nan 0.000 0.432 248 N N -0.162 118.385 118.700 -0.254 0.000 2.216 248 N HA -0.182 4.558 4.740 -0.000 0.000 0.183 248 N C 1.998 177.439 175.510 -0.114 0.000 1.017 248 N CA 1.252 54.216 53.050 -0.144 0.000 0.861 248 N CB -0.073 38.359 38.487 -0.092 0.000 0.986 248 N HN 0.460 nan 8.380 nan 0.000 0.428 249 L N 0.827 121.964 121.223 -0.144 0.000 2.093 249 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 249 L C 1.871 178.707 176.870 -0.056 0.000 1.085 249 L CA 0.900 55.678 54.840 -0.103 0.000 0.755 249 L CB -0.217 41.713 42.059 -0.215 0.000 0.904 249 L HN 0.030 nan 8.230 nan 0.000 0.435 250 K N 0.156 120.535 120.400 -0.035 0.000 2.555 250 K HA 0.071 4.391 4.320 -0.000 0.000 0.193 250 K C 1.291 178.121 176.600 0.385 0.000 1.032 250 K CA 0.827 57.219 56.287 0.175 0.000 1.004 250 K CB -0.212 32.480 32.500 0.320 0.000 0.804 250 K HN 0.437 nan 8.250 nan 0.000 0.496 251 G N -0.174 108.771 108.800 0.242 0.000 2.184 251 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.206 251 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.206 251 G C -0.086 174.955 174.900 0.234 0.000 0.995 251 G CA -0.304 44.939 45.100 0.239 0.000 0.651 251 G HN 0.200 nan 8.290 nan 0.000 0.511 252 Y N 0.669 121.072 120.300 0.172 0.000 2.344 252 Y HA 0.710 5.260 4.550 -0.000 0.000 0.330 252 Y C 0.632 176.506 175.900 -0.043 0.000 1.330 252 Y CA -0.485 57.692 58.100 0.128 0.000 1.479 252 Y CB 0.720 39.258 38.460 0.130 0.000 1.428 252 Y HN 0.096 nan 8.280 nan 0.000 0.544 253 D N -2.064 118.413 120.400 0.129 0.000 2.581 253 D HA 0.189 4.829 4.640 -0.000 0.000 0.232 253 D C 0.092 176.384 176.300 -0.014 0.000 1.143 253 D CA -0.651 53.283 54.000 -0.111 0.000 0.881 253 D CB 0.923 41.662 40.800 -0.101 0.000 1.500 253 D HN 0.332 nan 8.370 nan 0.000 0.458 254 Y N 0.649 121.002 120.300 0.088 0.000 2.139 254 Y HA -0.097 4.453 4.550 -0.000 0.000 0.282 254 Y C -0.778 175.155 175.900 0.056 0.000 1.179 254 Y CA 1.312 59.446 58.100 0.058 0.000 1.161 254 Y CB -2.002 36.485 38.460 0.044 0.000 0.970 254 Y HN 0.425 nan 8.280 nan 0.000 0.511 255 P HA -0.077 nan 4.420 nan 0.000 0.226 255 P C 0.689 178.069 177.300 0.134 0.000 1.153 255 P CA 1.533 64.718 63.100 0.142 0.000 0.777 255 P CB 0.035 31.802 31.700 0.112 0.000 0.794 256 D N -0.502 119.997 120.400 0.164 0.000 2.371 256 D HA 0.002 4.642 4.640 -0.000 0.000 0.221 256 D C 0.714 177.115 176.300 0.168 0.000 0.986 256 D CA 0.486 54.607 54.000 0.201 0.000 0.899 256 D CB 0.082 41.092 40.800 0.350 0.000 0.902 256 D HN 0.267 nan 8.370 nan 0.000 0.530 257 I N 1.324 121.979 120.570 0.141 0.000 2.396 257 I HA -0.019 4.151 4.170 -0.000 0.000 0.289 257 I C 1.622 177.783 176.117 0.072 0.000 1.056 257 I CA 0.033 61.395 61.300 0.102 0.000 1.365 257 I CB 1.472 39.523 38.000 0.085 0.000 1.407 257 I HN -0.200 nan 8.210 nan 0.000 0.509 258 Q N 6.303 126.138 119.800 0.059 0.000 2.141 258 Q HA 0.168 4.508 4.340 -0.000 0.000 0.194 258 Q C 0.550 176.572 176.000 0.036 0.000 0.975 258 Q CA 0.583 56.414 55.803 0.047 0.000 0.834 258 Q CB 0.540 29.301 28.738 0.038 0.000 0.916 258 Q HN 0.690 nan 8.270 nan 0.000 0.484 259 R N -1.079 119.439 120.500 0.029 0.000 2.799 259 R HA 0.769 5.109 4.340 -0.000 0.000 0.270 259 R C -1.970 174.343 176.300 0.022 0.000 1.010 259 R CA -0.496 55.620 56.100 0.027 0.000 0.916 259 R CB 1.702 32.020 30.300 0.029 0.000 1.228 259 R HN 0.100 nan 8.270 nan 0.000 0.469 260 A N 1.458 124.293 122.820 0.025 0.000 2.515 260 A HA 0.737 5.057 4.320 -0.000 0.000 0.296 260 A C -1.459 176.154 177.584 0.049 0.000 1.094 260 A CA -0.722 51.331 52.037 0.026 0.000 0.718 260 A CB 2.367 21.369 19.000 0.004 0.000 1.307 260 A HN 0.396 nan 8.150 nan 0.000 0.408 261 V N 0.961 120.904 119.914 0.048 0.000 2.925 261 V HA 0.660 4.779 4.120 -0.000 0.000 0.311 261 V C -1.249 174.889 176.094 0.073 0.000 1.104 261 V CA -0.500 61.840 62.300 0.066 0.000 0.954 261 V CB 1.859 33.704 31.823 0.037 0.000 1.022 261 V HN 1.031 nan 8.190 nan 0.000 0.427 262 L N 3.792 125.081 121.223 0.111 0.000 2.385 262 L HA 0.990 5.330 4.340 -0.000 0.000 0.273 262 L C -0.231 176.672 176.870 0.056 0.000 0.990 262 L CA -0.082 54.818 54.840 0.100 0.000 0.821 262 L CB 1.618 43.794 42.059 0.194 0.000 1.279 262 L HN 0.777 nan 8.230 nan 0.000 0.412 263 A N 4.591 127.419 122.820 0.012 0.000 2.337 263 A HA 0.879 5.199 4.320 -0.000 0.000 0.329 263 A C -0.791 176.752 177.584 -0.068 0.000 1.146 263 A CA -0.145 51.871 52.037 -0.034 0.000 0.800 263 A CB 0.863 19.834 19.000 -0.047 0.000 1.220 263 A HN 0.898 nan 8.150 nan 0.000 0.472 264 E N 1.241 121.378 120.200 -0.104 0.000 2.422 264 E HA 0.327 4.677 4.350 -0.000 0.000 0.280 264 E C -1.417 175.092 176.600 -0.152 0.000 1.091 264 E CA -1.080 55.238 56.400 -0.137 0.000 0.849 264 E CB 0.690 30.329 29.700 -0.102 0.000 1.353 264 E HN 0.408 nan 8.360 nan 0.000 0.449 265 K N -0.137 120.170 120.400 -0.155 0.000 2.168 265 K HA 0.392 4.712 4.320 -0.000 0.000 0.258 265 K C 0.513 177.065 176.600 -0.081 0.000 1.010 265 K CA 0.546 56.763 56.287 -0.117 0.000 0.929 265 K CB 1.336 33.785 32.500 -0.085 0.000 0.998 265 K HN 0.618 nan 8.250 nan 0.000 0.479 266 A N 1.603 124.385 122.820 -0.064 0.000 2.030 266 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 266 A C 0.896 178.457 177.584 -0.038 0.000 1.164 266 A CA 0.980 52.983 52.037 -0.058 0.000 0.697 266 A CB 0.016 18.979 19.000 -0.061 0.000 0.827 266 A HN 0.811 nan 8.150 nan 0.000 0.457 267 D N 0.221 120.604 120.400 -0.029 0.000 2.561 267 D HA 0.405 5.045 4.640 -0.000 0.000 0.232 267 D C 0.300 176.593 176.300 -0.012 0.000 1.198 267 D CA 0.396 54.387 54.000 -0.015 0.000 0.826 267 D CB -0.111 40.685 40.800 -0.007 0.000 0.992 267 D HN 0.263 nan 8.370 nan 0.000 0.490 268 A N 1.437 124.244 122.820 -0.021 0.000 2.304 268 A HA 0.507 4.827 4.320 -0.000 0.000 0.301 268 A C -1.474 176.104 177.584 -0.010 0.000 1.132 268 A CA -1.247 50.778 52.037 -0.020 0.000 0.819 268 A CB 1.091 20.065 19.000 -0.043 0.000 1.094 268 A HN -0.088 nan 8.150 nan 0.000 0.492 269 P HA 0.001 nan 4.420 nan 0.000 0.218 269 P C -0.174 177.129 177.300 0.006 0.000 1.149 269 P CA 1.128 64.233 63.100 0.010 0.000 0.817 269 P CB 0.009 31.722 31.700 0.021 0.000 0.785 270 L N -0.806 120.410 121.223 -0.011 0.000 2.333 270 L HA 0.473 4.813 4.340 -0.000 0.000 0.269 270 L C -0.205 176.637 176.870 -0.048 0.000 1.010 270 L CA -0.991 53.837 54.840 -0.020 0.000 0.818 270 L CB 1.962 44.010 42.059 -0.018 0.000 1.306 270 L HN -0.270 nan 8.230 nan 0.000 0.430 271 I N 1.734 122.284 120.570 -0.034 0.000 2.534 271 I HA 0.181 4.351 4.170 -0.000 0.000 0.288 271 I C 0.036 176.140 176.117 -0.023 0.000 1.077 271 I CA -0.376 60.912 61.300 -0.020 0.000 1.051 271 I CB 2.132 40.151 38.000 0.033 0.000 1.234 271 I HN 0.693 nan 8.210 nan 0.000 0.425 272 Q N 4.214 123.988 119.800 -0.044 0.000 2.398 272 Q HA -0.061 4.279 4.340 -0.000 0.000 0.204 272 Q C 1.686 177.664 176.000 -0.037 0.000 0.932 272 Q CA 0.505 56.271 55.803 -0.062 0.000 0.916 272 Q CB 0.365 29.030 28.738 -0.122 0.000 1.024 272 Q HN 0.826 nan 8.270 nan 0.000 0.504 273 W N 3.215 124.468 121.300 -0.079 0.000 2.301 273 W HA -0.272 4.388 4.660 -0.000 0.000 0.325 273 W C 0.707 177.197 176.519 -0.049 0.000 1.250 273 W CA 2.134 59.442 57.345 -0.061 0.000 1.261 273 W CB -0.079 29.348 29.460 -0.055 0.000 1.157 273 W HN 0.205 nan 8.180 nan 0.000 0.473 274 D N 0.361 120.534 120.400 -0.379 0.000 2.097 274 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 274 D C 2.278 178.354 176.300 -0.372 0.000 0.989 274 D CA 1.888 55.647 54.000 -0.402 0.000 0.827 274 D CB -0.650 40.081 40.800 -0.115 0.000 0.966 274 D HN 0.231 nan 8.370 nan 0.000 0.456 275 A N 0.987 123.657 122.820 -0.250 0.000 1.930 275 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 275 A C 2.413 179.838 177.584 -0.265 0.000 1.175 275 A CA 1.677 53.593 52.037 -0.201 0.000 0.627 275 A CB -0.749 18.185 19.000 -0.110 0.000 0.815 275 A HN 0.153 nan 8.150 nan 0.000 0.443 276 T N 0.995 115.357 114.554 -0.320 0.000 2.643 276 T HA -0.170 4.180 4.350 -0.000 0.000 0.264 276 T C 2.339 176.782 174.700 -0.428 0.000 1.045 276 T CA 2.082 63.984 62.100 -0.330 0.000 1.155 276 T CB -0.582 68.111 68.868 -0.292 0.000 0.863 276 T HN 0.705 nan 8.240 nan 0.000 0.420 277 S N 2.603 117.888 115.700 -0.692 0.000 2.359 277 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 277 S C 2.533 176.907 174.600 -0.376 0.000 1.035 277 S CA 1.050 58.877 58.200 -0.622 0.000 1.018 277 S CB -0.995 61.702 63.200 -0.839 0.000 0.876 277 S HN 0.569 nan 8.310 nan 0.000 0.448 278 A N 2.113 124.727 122.820 -0.342 0.000 1.892 278 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 278 A C 2.441 179.897 177.584 -0.213 0.000 1.188 278 A CA 2.288 54.193 52.037 -0.221 0.000 0.631 278 A CB -1.687 17.205 19.000 -0.181 0.000 0.822 278 A HN 0.568 nan 8.150 nan 0.000 0.447 279 T N 0.177 114.581 114.554 -0.249 0.000 2.821 279 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 279 T C 1.827 176.332 174.700 -0.324 0.000 1.046 279 T CA 1.241 63.172 62.100 -0.281 0.000 1.139 279 T CB -0.321 68.354 68.868 -0.322 0.000 0.871 279 T HN 0.330 nan 8.240 nan 0.000 0.454 280 L N 0.456 121.492 121.223 -0.311 0.000 2.046 280 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 280 L C 2.613 179.296 176.870 -0.312 0.000 1.077 280 L CA 1.436 56.096 54.840 -0.300 0.000 0.747 280 L CB -0.352 41.555 42.059 -0.254 0.000 0.896 280 L HN 0.248 nan 8.230 nan 0.000 0.432 281 K N -0.256 119.971 120.400 -0.288 0.000 2.147 281 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 281 K C 2.123 178.591 176.600 -0.219 0.000 1.049 281 K CA 1.211 57.312 56.287 -0.311 0.000 0.936 281 K CB -0.225 32.206 32.500 -0.116 0.000 0.722 281 K HN 0.285 nan 8.250 nan 0.000 0.446 282 A N 1.192 123.899 122.820 -0.188 0.000 1.969 282 A HA -0.085 4.234 4.320 -0.000 0.000 0.218 282 A C 1.944 179.429 177.584 -0.165 0.000 1.169 282 A CA 1.114 53.067 52.037 -0.140 0.000 0.635 282 A CB -0.430 18.490 19.000 -0.134 0.000 0.810 282 A HN 0.176 nan 8.150 nan 0.000 0.445 283 L N -1.504 119.566 121.223 -0.255 0.000 2.554 283 L HA 0.156 4.496 4.340 -0.000 0.000 0.226 283 L C 1.579 178.353 176.870 -0.160 0.000 1.137 283 L CA 0.613 55.283 54.840 -0.282 0.000 0.863 283 L CB -0.158 41.636 42.059 -0.442 0.000 0.985 283 L HN 0.604 nan 8.230 nan 0.000 0.451 284 G N -0.355 108.323 108.800 -0.203 0.000 2.131 284 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.201 284 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.201 284 G C -0.019 174.686 174.900 -0.326 0.000 1.000 284 G CA -0.088 44.903 45.100 -0.182 0.000 0.680 284 G HN 0.322 nan 8.290 nan 0.000 0.514 285 C N 0.920 119.960 119.300 -0.433 0.000 2.303 285 C HA 0.790 5.250 4.460 -0.000 0.000 0.326 285 C C 1.445 176.103 174.990 -0.552 0.000 1.285 285 C CA -0.626 58.195 59.018 -0.328 0.000 1.675 285 C CB 0.125 27.767 27.740 -0.163 0.000 2.289 285 C HN 0.431 nan 8.230 nan 0.000 0.512 286 H N 2.122 121.193 119.070 0.001 0.000 2.740 286 H HA 0.177 4.733 4.556 -0.000 0.000 0.265 286 H C 0.553 175.896 175.328 0.024 0.000 0.978 286 H CA 0.239 56.291 56.048 0.007 0.000 1.198 286 H CB 0.416 30.185 29.762 0.011 0.000 1.467 286 H HN 0.641 nan 8.280 nan 0.000 0.511 287 S N 2.022 117.774 115.700 0.087 0.000 2.423 287 S HA 0.484 4.954 4.470 -0.000 0.000 0.317 287 S C 0.181 174.823 174.600 0.070 0.000 1.065 287 S CA -0.449 57.802 58.200 0.084 0.000 1.111 287 S CB 0.669 63.910 63.200 0.069 0.000 0.968 287 S HN 0.125 nan 8.310 nan 0.000 0.474 288 I N 2.725 123.363 120.570 0.114 0.000 2.533 288 I HA 0.483 4.653 4.170 -0.000 0.000 0.290 288 I C -0.880 175.379 176.117 0.236 0.000 1.056 288 I CA -0.616 60.779 61.300 0.158 0.000 1.057 288 I CB 2.066 40.158 38.000 0.153 0.000 1.240 288 I HN 0.456 nan 8.210 nan 0.000 0.423 289 D N 4.906 125.422 120.400 0.193 0.000 2.523 289 D HA 0.496 5.136 4.640 -0.000 0.000 0.236 289 D C -0.984 175.380 176.300 0.106 0.000 1.094 289 D CA -0.773 53.293 54.000 0.109 0.000 0.942 289 D CB 2.944 43.762 40.800 0.030 0.000 1.447 289 D HN 0.395 nan 8.370 nan 0.000 0.479 290 R N 0.365 120.820 120.500 -0.075 0.000 2.686 290 R HA 0.623 4.963 4.340 -0.000 0.000 0.286 290 R C -1.830 174.405 176.300 -0.109 0.000 0.969 290 R CA -0.669 55.374 56.100 -0.096 0.000 0.898 290 R CB 1.836 31.912 30.300 -0.374 0.000 1.183 290 R HN 0.236 nan 8.270 nan 0.000 0.456 291 V N 4.913 124.785 119.914 -0.071 0.000 2.656 291 V HA 0.413 4.532 4.120 -0.000 0.000 0.307 291 V C -0.670 175.373 176.094 -0.085 0.000 1.051 291 V CA -1.009 61.249 62.300 -0.070 0.000 0.893 291 V CB 1.949 33.747 31.823 -0.041 0.000 0.999 291 V HN 0.587 nan 8.190 nan 0.000 0.426 292 L N 5.220 126.390 121.223 -0.087 0.000 2.264 292 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 292 L C 0.052 176.865 176.870 -0.096 0.000 1.044 292 L CA -0.100 54.683 54.840 -0.095 0.000 0.807 292 L CB 1.130 43.138 42.059 -0.085 0.000 1.192 292 L HN 0.474 nan 8.230 nan 0.000 0.425 293 L N 3.557 124.685 121.223 -0.158 0.000 2.456 293 L HA 0.559 4.898 4.340 -0.000 0.000 0.272 293 L C 0.532 177.357 176.870 -0.075 0.000 1.189 293 L CA 0.071 54.772 54.840 -0.232 0.000 0.846 293 L CB 0.797 42.473 42.059 -0.639 0.000 1.111 293 L HN 0.888 nan 8.230 nan 0.000 0.475 294 A N 0.000 122.866 122.820 0.076 0.000 2.254 294 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 294 A CA 0.000 52.175 52.037 0.229 0.000 0.836 294 A CB 0.000 19.073 19.000 0.122 0.000 0.831 294 A HN 0.000 nan 8.150 nan 0.000 0.486