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 2qj4_1_A DATA FIRST_RESID 39 DATA SEQUENCE TLHEFKKSAK TTLTKEDPLL KIKTKKVNSA DEcANRcIRN RGFTFTcKAF DATA SEQUENCE VFDKSRKRcY WYPFNSMSSG VKKGFGHEFD LYENKDYIRN cIIGKGGSYK DATA SEQUENCE GTVSITKSGI KcQPWNSMIP HEHSFLPSSY RGKDLQENYc RNPRGEEGGP DATA SEQUENCE WcFTSNPEVR YEVcDIPQcS EV 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 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.790 174.700 0.151 0.000 1.109 39 T CA 0.000 62.240 62.100 0.234 0.000 1.349 39 T CB 0.000 68.953 68.868 0.142 0.000 0.612 40 L N 2.372 123.714 121.223 0.198 0.000 2.599 40 L HA 0.223 4.563 4.340 0.000 0.000 0.230 40 L C 2.377 179.413 176.870 0.276 0.000 1.141 40 L CA 0.961 55.894 54.840 0.154 0.000 0.877 40 L CB -0.196 41.891 42.059 0.047 0.000 1.009 40 L HN 0.550 nan 8.230 nan 0.000 0.447 41 H N -0.818 118.378 119.070 0.211 0.000 2.470 41 H HA -0.023 4.533 4.556 0.000 0.000 0.289 41 H C 0.740 176.196 175.328 0.214 0.000 1.033 41 H CA 0.496 56.660 56.048 0.193 0.000 1.331 41 H CB -0.150 29.690 29.762 0.131 0.000 1.414 41 H HN 0.434 nan 8.280 nan 0.000 0.545 42 E N 0.218 120.239 120.200 -0.298 0.000 2.365 42 E HA 0.168 4.518 4.350 0.000 0.000 0.188 42 E C -0.872 175.673 176.600 -0.093 0.000 1.102 42 E CA -0.151 56.123 56.400 -0.210 0.000 0.927 42 E CB 0.022 29.520 29.700 -0.337 0.000 1.073 42 E HN 0.254 nan 8.360 nan 0.000 0.467 43 F N 0.279 120.253 119.950 0.040 0.000 2.650 43 F HA 0.328 4.855 4.527 0.001 0.000 0.320 43 F C -0.076 175.804 175.800 0.132 0.000 1.091 43 F CA -1.120 56.941 58.000 0.103 0.000 0.962 43 F CB 1.606 40.699 39.000 0.155 0.000 1.363 43 F HN -0.374 nan 8.300 nan 0.000 0.482 44 K N 2.628 123.224 120.400 0.327 0.000 2.521 44 K HA 0.276 4.597 4.320 0.000 0.000 0.248 44 K C -0.914 175.768 176.600 0.136 0.000 0.978 44 K CA -0.569 55.837 56.287 0.198 0.000 0.947 44 K CB 1.054 33.588 32.500 0.056 0.000 1.165 44 K HN 0.635 nan 8.250 nan 0.000 0.445 45 K N 2.223 122.682 120.400 0.098 0.000 2.298 45 K HA 0.141 4.462 4.320 0.000 0.000 0.280 45 K C -0.984 175.552 176.600 -0.106 0.000 1.032 45 K CA -0.075 56.088 56.287 -0.207 0.000 0.958 45 K CB 0.833 33.204 32.500 -0.214 0.000 0.978 45 K HN 0.462 nan 8.250 nan 0.000 0.472 46 S N 2.689 118.278 115.700 -0.185 0.000 2.542 46 S HA 0.285 4.755 4.470 0.000 0.000 0.245 46 S C -0.640 173.922 174.600 -0.065 0.000 1.325 46 S CA -0.778 57.388 58.200 -0.057 0.000 1.176 46 S CB 1.324 64.507 63.200 -0.028 0.000 1.045 46 S HN 0.773 nan 8.310 nan 0.000 0.481 47 A N 2.925 125.732 122.820 -0.021 0.000 2.587 47 A HA 0.245 4.565 4.320 0.000 0.000 0.235 47 A C 0.790 178.417 177.584 0.072 0.000 1.044 47 A CA 0.252 52.300 52.037 0.017 0.000 0.754 47 A CB -0.328 18.708 19.000 0.060 0.000 0.968 47 A HN 0.875 nan 8.150 nan 0.000 0.509 48 K N 0.159 120.587 120.400 0.047 0.000 3.156 48 K HA -0.162 4.158 4.320 0.000 0.000 0.266 48 K C -0.321 176.296 176.600 0.029 0.000 0.966 48 K CA 1.277 57.557 56.287 -0.011 0.000 0.719 48 K CB -2.136 30.389 32.500 0.043 0.000 1.333 48 K HN 0.747 nan 8.250 nan 0.000 0.468 49 T N -0.092 114.503 114.554 0.068 0.000 2.912 49 T HA 0.454 4.805 4.350 0.000 0.000 0.299 49 T C -0.626 174.091 174.700 0.029 0.000 1.052 49 T CA -0.576 61.569 62.100 0.075 0.000 0.996 49 T CB 2.357 71.264 68.868 0.064 0.000 1.070 49 T HN 0.227 nan 8.240 nan 0.000 0.465 50 T N 2.235 116.759 114.554 -0.051 0.000 2.909 50 T HA 0.703 5.053 4.350 0.000 0.000 0.299 50 T C -1.292 173.319 174.700 -0.148 0.000 1.073 50 T CA -0.714 61.272 62.100 -0.190 0.000 0.999 50 T CB 0.687 69.179 68.868 -0.627 0.000 1.098 50 T HN 0.416 nan 8.240 nan 0.000 0.477 51 L N 3.264 124.402 121.223 -0.143 0.000 2.312 51 L HA 0.628 4.968 4.340 0.000 0.000 0.281 51 L C 0.587 177.310 176.870 -0.245 0.000 1.070 51 L CA -0.694 54.023 54.840 -0.206 0.000 0.805 51 L CB 1.752 43.622 42.059 -0.316 0.000 1.174 51 L HN 0.709 nan 8.230 nan 0.000 0.434 52 T N 1.683 116.119 114.554 -0.197 0.000 2.907 52 T HA 0.373 4.723 4.350 0.000 0.000 0.292 52 T C 0.031 174.611 174.700 -0.201 0.000 1.043 52 T CA -0.452 61.544 62.100 -0.173 0.000 1.003 52 T CB 2.329 71.118 68.868 -0.132 0.000 1.084 52 T HN 0.739 nan 8.240 nan 0.000 0.483 53 K N 0.911 121.194 120.400 -0.194 0.000 2.557 53 K HA 0.363 4.684 4.320 0.000 0.000 0.246 53 K C 0.885 177.378 176.600 -0.179 0.000 1.206 53 K CA 0.725 56.858 56.287 -0.256 0.000 0.820 53 K CB 0.413 32.699 32.500 -0.357 0.000 1.588 53 K HN 0.864 nan 8.250 nan 0.000 0.409 54 E N -0.487 119.630 120.200 -0.138 0.000 1.884 54 E HA -0.070 4.281 4.350 0.000 0.000 0.260 54 E C -0.849 175.707 176.600 -0.073 0.000 1.063 54 E CA 0.194 56.534 56.400 -0.101 0.000 1.812 54 E CB -0.403 29.231 29.700 -0.110 0.000 3.592 54 E HN 0.348 nan 8.360 nan 0.000 0.989 55 D N 2.170 122.525 120.400 -0.075 0.000 2.398 55 D HA 0.289 4.929 4.640 0.000 0.000 0.247 55 D C -1.545 174.736 176.300 -0.032 0.000 1.227 55 D CA -1.192 52.778 54.000 -0.050 0.000 0.980 55 D CB 0.660 41.430 40.800 -0.050 0.000 1.106 55 D HN -0.000 nan 8.370 nan 0.000 0.493 56 P HA 0.170 nan 4.420 nan 0.000 0.228 56 P C 1.197 178.497 177.300 -0.000 0.000 1.166 56 P CA 0.286 63.382 63.100 -0.008 0.000 0.812 56 P CB 0.205 31.901 31.700 -0.006 0.000 0.857 57 L N -1.434 119.787 121.223 -0.003 0.000 2.651 57 L HA -0.092 4.248 4.340 0.000 0.000 0.236 57 L C 0.267 177.144 176.870 0.011 0.000 1.173 57 L CA 0.462 55.304 54.840 0.004 0.000 0.843 57 L CB -0.612 41.446 42.059 -0.000 0.000 0.964 57 L HN 0.024 nan 8.230 nan 0.000 0.454 58 L N 0.407 121.640 121.223 0.015 0.000 2.296 58 L HA 0.292 4.632 4.340 0.000 0.000 0.286 58 L C -0.001 176.893 176.870 0.040 0.000 1.023 58 L CA -0.217 54.643 54.840 0.034 0.000 0.812 58 L CB 1.424 43.521 42.059 0.063 0.000 1.223 58 L HN -0.037 nan 8.230 nan 0.000 0.421 59 K N 3.755 124.172 120.400 0.028 0.000 2.166 59 K HA 0.769 5.090 4.320 0.000 0.000 0.245 59 K C -1.060 175.553 176.600 0.021 0.000 0.967 59 K CA -0.485 55.821 56.287 0.031 0.000 0.863 59 K CB 1.637 34.151 32.500 0.025 0.000 1.107 59 K HN 0.187 nan 8.250 nan 0.000 0.436 60 I N 1.449 122.051 120.570 0.054 0.000 2.439 60 I HA 0.262 4.432 4.170 0.000 0.000 0.283 60 I C -0.403 175.737 176.117 0.038 0.000 1.023 60 I CA -0.786 60.544 61.300 0.049 0.000 1.100 60 I CB 1.371 39.480 38.000 0.180 0.000 1.238 60 I HN 0.774 nan 8.210 nan 0.000 0.445 61 K N 4.991 125.404 120.400 0.021 0.000 2.436 61 K HA 0.224 4.545 4.320 0.000 0.000 0.282 61 K C 0.146 176.820 176.600 0.124 0.000 1.044 61 K CA 0.292 56.672 56.287 0.154 0.000 1.028 61 K CB 0.488 33.176 32.500 0.315 0.000 0.919 61 K HN 0.843 nan 8.250 nan 0.000 0.474 62 T N 1.255 115.824 114.554 0.024 0.000 2.901 62 T HA 0.566 4.916 4.350 0.000 0.000 0.293 62 T C -1.172 173.478 174.700 -0.084 0.000 1.084 62 T CA -0.976 60.960 62.100 -0.274 0.000 1.008 62 T CB 1.801 70.330 68.868 -0.565 0.000 1.170 62 T HN 0.602 nan 8.240 nan 0.000 0.509 63 K N 0.532 120.792 120.400 -0.235 0.000 2.572 63 K HA 0.421 4.741 4.320 0.000 0.000 0.263 63 K C -1.601 174.926 176.600 -0.120 0.000 0.932 63 K CA -0.794 55.467 56.287 -0.044 0.000 0.838 63 K CB 1.801 34.444 32.500 0.239 0.000 1.366 63 K HN 0.585 nan 8.250 nan 0.000 0.425 64 K N 3.075 123.440 120.400 -0.057 0.000 2.294 64 K HA 0.183 4.503 4.320 0.000 0.000 0.288 64 K C -1.038 175.564 176.600 0.002 0.000 1.072 64 K CA -0.116 56.145 56.287 -0.044 0.000 0.960 64 K CB 0.267 32.752 32.500 -0.025 0.000 1.043 64 K HN 0.367 nan 8.250 nan 0.000 0.455 65 V N 4.011 123.937 119.914 0.020 0.000 2.966 65 V HA 0.196 4.317 4.120 0.000 0.000 0.317 65 V C 1.066 177.213 176.094 0.088 0.000 1.070 65 V CA -0.684 61.648 62.300 0.054 0.000 1.008 65 V CB 1.842 33.683 31.823 0.030 0.000 1.070 65 V HN 0.874 nan 8.190 nan 0.000 0.457 66 N N 0.396 119.123 118.700 0.044 0.000 2.251 66 N HA 0.007 4.748 4.740 0.000 0.000 0.181 66 N C 0.418 175.961 175.510 0.055 0.000 1.019 66 N CA 1.002 54.080 53.050 0.046 0.000 0.862 66 N CB 0.286 38.779 38.487 0.009 0.000 0.992 66 N HN 0.837 nan 8.380 nan 0.000 0.429 67 S N -2.334 113.320 115.700 -0.077 0.000 2.720 67 S HA 0.690 5.160 4.470 0.000 0.000 0.287 67 S C 0.431 174.565 174.600 -0.777 0.000 1.168 67 S CA -0.352 57.693 58.200 -0.257 0.000 0.832 67 S CB 1.040 64.138 63.200 -0.169 0.000 1.166 67 S HN 0.097 nan 8.310 nan 0.000 0.493 68 A N 0.079 122.239 122.820 -1.099 0.000 2.119 68 A HA 0.089 4.409 4.320 0.000 0.000 0.217 68 A C 1.201 178.363 177.584 -0.704 0.000 1.153 68 A CA 1.504 52.794 52.037 -1.244 0.000 0.692 68 A CB -1.168 17.302 19.000 -0.883 0.000 0.799 68 A HN 0.822 nan 8.150 nan 0.000 0.458 69 D N 0.236 120.367 120.400 -0.449 0.000 2.149 69 D HA -0.116 4.524 4.640 0.000 0.000 0.201 69 D C 1.892 178.043 176.300 -0.249 0.000 0.972 69 D CA 1.318 55.153 54.000 -0.276 0.000 0.835 69 D CB -0.168 40.540 40.800 -0.154 0.000 0.966 69 D HN 0.592 nan 8.370 nan 0.000 0.476 70 E N 0.293 120.345 120.200 -0.247 0.000 2.110 70 E HA -0.161 4.189 4.350 0.000 0.000 0.193 70 E C 2.169 178.687 176.600 -0.137 0.000 0.988 70 E CA 0.851 57.162 56.400 -0.149 0.000 0.804 70 E CB -0.362 29.275 29.700 -0.104 0.000 0.745 70 E HN 0.367 nan 8.360 nan 0.000 0.458 71 c N 1.346 119.735 118.600 -0.350 0.000 2.432 71 c HA -0.090 4.481 4.570 0.000 0.000 0.277 71 c C 3.062 176.913 174.090 -0.398 0.000 1.249 71 c CA 0.926 56.992 56.329 -0.439 0.000 1.725 71 c CB -1.133 40.517 42.510 -1.434 0.000 2.028 71 c HN 0.535 nan 8.230 nan 0.000 0.477 72 A N 1.136 123.585 122.820 -0.619 0.000 1.933 72 A HA -0.189 4.131 4.320 0.000 0.000 0.218 72 A C 1.750 179.382 177.584 0.079 0.000 1.175 72 A CA 1.674 53.588 52.037 -0.204 0.000 0.628 72 A CB -0.879 17.965 19.000 -0.260 0.000 0.814 72 A HN 0.813 nan 8.150 nan 0.000 0.444 73 N N -1.457 117.238 118.700 -0.008 0.000 2.515 73 N HA -0.001 4.740 4.740 0.000 0.000 0.191 73 N C 1.483 176.977 175.510 -0.026 0.000 1.182 73 N CA 0.338 53.398 53.050 0.016 0.000 0.879 73 N CB 0.067 38.543 38.487 -0.018 0.000 0.984 73 N HN 0.523 nan 8.380 nan 0.000 0.453 74 R N -0.341 120.144 120.500 -0.026 0.000 2.435 74 R HA 0.147 4.488 4.340 0.000 0.000 0.221 74 R C 2.024 178.217 176.300 -0.177 0.000 0.885 74 R CA 0.012 55.994 56.100 -0.196 0.000 1.018 74 R CB -0.289 29.844 30.300 -0.279 0.000 1.259 74 R HN 0.162 nan 8.270 nan 0.000 0.597 75 c N 0.540 119.238 118.600 0.164 0.000 2.486 75 c HA 0.113 4.683 4.570 0.000 0.000 0.279 75 c C 2.353 176.647 174.090 0.340 0.000 1.302 75 c CA 0.123 56.716 56.329 0.440 0.000 1.720 75 c CB -0.675 42.338 42.510 0.839 0.000 2.030 75 c HN 0.476 nan 8.230 nan 0.000 0.490 76 I N 2.395 123.153 120.570 0.314 0.000 2.076 76 I HA -0.151 4.019 4.170 0.000 0.000 0.237 76 I C 2.534 178.678 176.117 0.044 0.000 1.059 76 I CA 2.001 63.414 61.300 0.189 0.000 1.317 76 I CB -1.407 36.703 38.000 0.184 0.000 1.037 76 I HN 0.526 nan 8.210 nan 0.000 0.398 77 R N 1.294 121.769 120.500 -0.041 0.000 2.328 77 R HA 0.034 4.374 4.340 0.000 0.000 0.206 77 R C 0.158 176.301 176.300 -0.262 0.000 0.990 77 R CA 0.152 56.176 56.100 -0.127 0.000 1.085 77 R CB -1.038 29.180 30.300 -0.136 0.000 0.998 77 R HN 0.218 nan 8.270 nan 0.000 0.484 78 N N 1.474 119.983 118.700 -0.318 0.000 2.700 78 N HA -0.201 4.539 4.740 0.000 0.000 0.265 78 N C 0.276 175.216 175.510 -0.949 0.000 0.975 78 N CA 0.344 53.021 53.050 -0.622 0.000 0.800 78 N CB -0.205 38.131 38.487 -0.250 0.000 0.908 78 N HN 0.327 nan 8.380 nan 0.000 0.551 79 R N 0.031 119.853 120.500 -1.130 0.000 2.369 79 R HA -0.095 4.245 4.340 0.000 0.000 0.208 79 R C 1.486 177.342 176.300 -0.740 0.000 1.030 79 R CA 1.974 57.584 56.100 -0.817 0.000 0.812 79 R CB -1.078 28.802 30.300 -0.701 0.000 0.765 79 R HN 0.419 nan 8.270 nan 0.000 0.441 80 G N 0.775 109.126 108.800 -0.749 0.000 4.464 80 G HA2 0.416 4.376 3.960 0.000 0.000 0.297 80 G HA3 0.416 4.376 3.960 0.000 0.000 0.297 80 G C -0.375 174.448 174.900 -0.128 0.000 1.342 80 G CA -0.457 44.434 45.100 -0.348 0.000 1.335 80 G HN 0.070 nan 8.290 nan 0.000 0.609 81 F N 0.259 119.984 119.950 -0.375 0.000 2.470 81 F HA 0.374 4.901 4.527 0.000 0.000 0.329 81 F C 1.293 176.883 175.800 -0.351 0.000 1.072 81 F CA -1.167 56.497 58.000 -0.560 0.000 0.989 81 F CB 2.506 40.854 39.000 -1.087 0.000 1.193 81 F HN 0.152 nan 8.300 nan 0.000 0.481 82 T N -1.057 113.509 114.554 0.019 0.000 3.248 82 T HA 0.351 4.701 4.350 0.000 0.000 0.271 82 T C -0.605 174.243 174.700 0.247 0.000 1.005 82 T CA -0.264 61.917 62.100 0.134 0.000 0.902 82 T CB -0.836 68.148 68.868 0.195 0.000 1.102 82 T HN 0.485 nan 8.240 nan 0.000 0.548 83 F N -1.936 118.070 119.950 0.094 0.000 2.831 83 F HA 0.709 5.237 4.527 0.000 0.000 0.318 83 F C -1.260 174.588 175.800 0.082 0.000 1.174 83 F CA -1.403 56.630 58.000 0.054 0.000 0.918 83 F CB 0.728 39.731 39.000 0.004 0.000 1.364 83 F HN -0.226 nan 8.300 nan 0.000 0.475 84 T N 1.456 116.139 114.554 0.214 0.000 2.753 84 T HA 0.274 4.624 4.350 0.000 0.000 0.297 84 T C -0.662 174.132 174.700 0.157 0.000 0.981 84 T CA -0.341 61.818 62.100 0.097 0.000 0.956 84 T CB 0.482 69.385 68.868 0.059 0.000 0.936 84 T HN 0.886 nan 8.240 nan 0.000 0.463 85 c N 5.147 123.828 118.600 0.134 0.000 2.624 85 c HA 0.235 4.805 4.570 0.000 0.000 0.397 85 c C 1.449 175.619 174.090 0.132 0.000 1.331 85 c CA -0.104 56.362 56.329 0.228 0.000 1.716 85 c CB -1.223 41.454 42.510 0.279 0.000 2.452 85 c HN 0.949 nan 8.230 nan 0.000 0.586 86 K N 3.596 124.016 120.400 0.033 0.000 2.367 86 K HA 0.410 4.730 4.320 0.000 0.000 0.195 86 K C 0.361 177.074 176.600 0.188 0.000 1.060 86 K CA 0.434 56.676 56.287 -0.074 0.000 1.022 86 K CB 0.532 32.848 32.500 -0.306 0.000 0.894 86 K HN 0.753 nan 8.250 nan 0.000 0.540 87 A N 1.092 124.084 122.820 0.285 0.000 2.586 87 A HA 0.619 4.939 4.320 0.000 0.000 0.291 87 A C -1.856 175.986 177.584 0.430 0.000 1.062 87 A CA -0.887 51.365 52.037 0.358 0.000 0.666 87 A CB 0.846 19.997 19.000 0.252 0.000 1.281 87 A HN 0.151 nan 8.150 nan 0.000 0.421 88 F N -1.042 119.099 119.950 0.318 0.000 2.631 88 F HA 0.816 5.343 4.527 0.000 0.000 0.308 88 F C -1.514 174.363 175.800 0.128 0.000 1.097 88 F CA -1.336 56.693 58.000 0.050 0.000 0.952 88 F CB 1.193 40.153 39.000 -0.067 0.000 1.307 88 F HN 0.421 nan 8.300 nan 0.000 0.450 89 V N 3.105 123.224 119.914 0.343 0.000 2.448 89 V HA 0.425 4.545 4.120 0.000 0.000 0.295 89 V C -1.326 175.081 176.094 0.523 0.000 1.025 89 V CA -0.579 61.950 62.300 0.381 0.000 0.859 89 V CB 1.598 33.544 31.823 0.205 0.000 0.988 89 V HN 0.728 nan 8.190 nan 0.000 0.431 90 F N 4.053 124.245 119.950 0.403 0.000 2.388 90 F HA 0.465 4.992 4.527 0.000 0.000 0.358 90 F C 0.265 176.245 175.800 0.300 0.000 1.122 90 F CA -1.104 57.072 58.000 0.294 0.000 1.056 90 F CB 1.076 40.264 39.000 0.312 0.000 1.155 90 F HN 0.514 nan 8.300 nan 0.000 0.461 91 D N 6.223 126.503 120.400 -0.201 0.000 2.402 91 D HA 0.073 4.714 4.640 0.000 0.000 0.235 91 D C 0.985 176.866 176.300 -0.699 0.000 1.226 91 D CA 0.224 54.126 54.000 -0.163 0.000 0.918 91 D CB 0.787 41.644 40.800 0.094 0.000 1.043 91 D HN 0.667 nan 8.370 nan 0.000 0.506 92 K N 0.983 121.055 120.400 -0.546 0.000 2.152 92 K HA -0.155 4.165 4.320 0.000 0.000 0.206 92 K C 1.926 178.344 176.600 -0.304 0.000 1.048 92 K CA 1.378 57.410 56.287 -0.425 0.000 0.933 92 K CB 0.115 32.539 32.500 -0.127 0.000 0.721 92 K HN 0.375 nan 8.250 nan 0.000 0.447 93 S N 0.466 115.990 115.700 -0.293 0.000 2.414 93 S HA -0.037 4.433 4.470 0.000 0.000 0.227 93 S C 1.793 176.296 174.600 -0.161 0.000 1.022 93 S CA 0.398 58.477 58.200 -0.202 0.000 0.958 93 S CB 0.045 63.113 63.200 -0.220 0.000 0.797 93 S HN 0.245 nan 8.310 nan 0.000 0.493 94 R N 0.717 121.104 120.500 -0.188 0.000 2.335 94 R HA 0.331 4.672 4.340 0.000 0.000 0.210 94 R C -0.210 175.990 176.300 -0.166 0.000 0.892 94 R CA -0.022 55.999 56.100 -0.131 0.000 1.048 94 R CB 0.011 30.265 30.300 -0.076 0.000 1.067 94 R HN 0.267 nan 8.270 nan 0.000 0.524 95 K N 1.304 121.512 120.400 -0.320 0.000 3.162 95 K HA -0.195 4.125 4.320 0.000 0.000 0.268 95 K C -0.839 175.661 176.600 -0.168 0.000 1.062 95 K CA 0.672 56.776 56.287 -0.305 0.000 0.769 95 K CB -0.984 31.516 32.500 -0.001 0.000 1.274 95 K HN 0.223 nan 8.250 nan 0.000 0.478 96 R N -0.306 120.002 120.500 -0.320 0.000 2.740 96 R HA 0.526 4.867 4.340 0.000 0.000 0.282 96 R C -0.401 175.709 176.300 -0.316 0.000 0.969 96 R CA -0.846 55.085 56.100 -0.282 0.000 0.918 96 R CB 1.698 31.787 30.300 -0.350 0.000 1.175 96 R HN 0.173 nan 8.270 nan 0.000 0.464 97 c N 1.293 119.554 118.600 -0.565 0.000 2.397 97 c HA 0.571 5.142 4.570 0.000 0.000 0.343 97 c C -0.924 172.466 174.090 -1.167 0.000 1.188 97 c CA -0.938 54.922 56.329 -0.783 0.000 1.992 97 c CB 0.161 41.795 42.510 -1.460 0.000 2.358 97 c HN 0.704 nan 8.230 nan 0.000 0.518 98 Y N 0.150 120.006 120.300 -0.741 0.000 2.402 98 Y HA 0.313 4.863 4.550 0.000 0.000 0.325 98 Y C -0.210 175.157 175.900 -0.889 0.000 1.009 98 Y CA -0.605 57.067 58.100 -0.712 0.000 1.278 98 Y CB 0.543 38.633 38.460 -0.618 0.000 1.105 98 Y HN 0.678 nan 8.280 nan 0.000 0.476 99 W N 4.507 125.599 121.300 -0.346 0.000 2.388 99 W HA 0.274 4.934 4.660 0.000 0.000 0.308 99 W C -0.644 175.628 176.519 -0.412 0.000 1.263 99 W CA -0.919 56.252 57.345 -0.290 0.000 1.286 99 W CB 0.113 29.388 29.460 -0.309 0.000 1.294 99 W HN 0.560 nan 8.180 nan 0.000 0.493 100 Y N 4.112 124.401 120.300 -0.019 0.000 2.419 100 Y HA 0.228 4.778 4.550 0.000 0.000 0.328 100 Y C -1.192 174.428 175.900 -0.467 0.000 1.162 100 Y CA -2.460 55.321 58.100 -0.532 0.000 1.174 100 Y CB 1.372 39.325 38.460 -0.845 0.000 1.228 100 Y HN 0.170 nan 8.280 nan 0.000 0.473 101 P HA 0.143 nan 4.420 nan 0.000 0.262 101 P C -1.283 175.948 177.300 -0.115 0.000 1.651 101 P CA 0.227 63.217 63.100 -0.184 0.000 1.119 101 P CB -0.211 31.373 31.700 -0.195 0.000 1.552 102 F N -1.976 117.986 119.950 0.021 0.000 2.858 102 F HA 0.587 5.115 4.527 0.000 0.000 0.319 102 F C -1.255 174.542 175.800 -0.004 0.000 1.166 102 F CA -1.524 56.456 58.000 -0.034 0.000 0.899 102 F CB -0.056 38.901 39.000 -0.072 0.000 1.332 102 F HN -0.223 nan 8.300 nan 0.000 0.461 103 N N -1.167 117.716 118.700 0.305 0.000 3.091 103 N HA 0.421 5.161 4.740 0.000 0.000 0.329 103 N C 0.216 175.822 175.510 0.160 0.000 1.430 103 N CA -0.289 52.881 53.050 0.199 0.000 0.755 103 N CB 0.530 39.095 38.487 0.130 0.000 1.626 103 N HN 0.745 nan 8.380 nan 0.000 0.614 104 S N -1.363 114.381 115.700 0.074 0.000 2.595 104 S HA -0.048 4.422 4.470 0.000 0.000 0.235 104 S C 1.023 175.619 174.600 -0.006 0.000 0.974 104 S CA 0.592 58.801 58.200 0.015 0.000 0.942 104 S CB -0.755 62.444 63.200 -0.001 0.000 0.766 104 S HN 0.553 nan 8.310 nan 0.000 0.536 105 M N 1.286 120.894 119.600 0.014 0.000 2.371 105 M HA 0.277 4.757 4.480 0.000 0.000 0.246 105 M C 0.396 176.691 176.300 -0.009 0.000 1.103 105 M CA -0.136 55.163 55.300 -0.002 0.000 1.010 105 M CB 0.428 33.032 32.600 0.008 0.000 1.457 105 M HN 0.098 nan 8.290 nan 0.000 0.486 106 S N 0.700 116.391 115.700 -0.015 0.000 2.624 106 S HA 0.261 4.731 4.470 0.000 0.000 0.263 106 S C 0.463 174.995 174.600 -0.112 0.000 1.287 106 S CA -0.806 57.361 58.200 -0.055 0.000 0.990 106 S CB 0.740 63.894 63.200 -0.077 0.000 0.950 106 S HN 0.467 nan 8.310 nan 0.000 0.561 107 S N 0.097 115.728 115.700 -0.116 0.000 2.545 107 S HA 0.560 5.030 4.470 0.000 0.000 0.275 107 S C 1.211 175.706 174.600 -0.174 0.000 1.299 107 S CA -0.174 57.956 58.200 -0.117 0.000 1.048 107 S CB 0.593 63.745 63.200 -0.081 0.000 0.938 107 S HN 1.485 nan 8.310 nan 0.000 0.496 108 G N 1.130 109.839 108.800 -0.152 0.000 2.267 108 G HA2 -0.269 3.692 3.960 0.000 0.000 0.257 108 G HA3 -0.269 3.692 3.960 0.000 0.000 0.257 108 G C 0.105 174.871 174.900 -0.224 0.000 0.998 108 G CA 0.046 45.043 45.100 -0.173 0.000 0.620 108 G HN 1.132 nan 8.290 nan 0.000 0.529 109 V N 2.288 122.039 119.914 -0.271 0.000 2.439 109 V HA 0.425 4.545 4.120 0.000 0.000 0.271 109 V C 0.702 176.687 176.094 -0.181 0.000 1.040 109 V CA 0.444 62.561 62.300 -0.305 0.000 1.002 109 V CB 0.987 32.594 31.823 -0.360 0.000 1.000 109 V HN 0.467 nan 8.190 nan 0.000 0.477 110 K N 4.764 125.066 120.400 -0.164 0.000 2.245 110 K HA 0.724 5.045 4.320 0.000 0.000 0.234 110 K C -0.547 175.994 176.600 -0.098 0.000 1.021 110 K CA -1.053 55.170 56.287 -0.107 0.000 0.898 110 K CB 1.397 33.842 32.500 -0.093 0.000 1.163 110 K HN 0.667 nan 8.250 nan 0.000 0.459 111 K N -0.158 120.206 120.400 -0.060 0.000 2.640 111 K HA 0.401 4.721 4.320 0.000 0.000 0.245 111 K C -0.434 176.162 176.600 -0.006 0.000 0.962 111 K CA -0.887 55.374 56.287 -0.044 0.000 0.896 111 K CB 1.597 34.084 32.500 -0.020 0.000 1.147 111 K HN 0.663 nan 8.250 nan 0.000 0.445 112 G N 2.192 110.976 108.800 -0.026 0.000 2.616 112 G HA2 0.355 4.315 3.960 0.000 0.000 0.268 112 G HA3 0.355 4.315 3.960 0.000 0.000 0.268 112 G C -1.266 173.711 174.900 0.130 0.000 1.213 112 G CA -0.587 44.532 45.100 0.032 0.000 0.926 112 G HN 0.583 nan 8.290 nan 0.000 0.523 113 F N -0.475 119.511 119.950 0.060 0.000 2.523 113 F HA 0.737 5.264 4.527 0.000 0.000 0.329 113 F C 0.232 176.166 175.800 0.223 0.000 1.061 113 F CA -0.221 57.850 58.000 0.118 0.000 0.967 113 F CB 2.330 41.380 39.000 0.082 0.000 1.218 113 F HN 0.847 nan 8.300 nan 0.000 0.480 114 G N 3.351 111.438 108.800 -1.190 0.000 2.299 114 G HA2 0.122 4.082 3.960 0.000 0.000 0.312 114 G HA3 0.122 4.082 3.960 0.000 0.000 0.312 114 G C -0.551 173.753 174.900 -0.993 0.000 1.654 114 G CA -0.393 44.192 45.100 -0.858 0.000 0.912 114 G HN 1.045 nan 8.290 nan 0.000 0.667 115 H N 1.097 119.695 119.070 -0.786 0.000 2.561 115 H HA -0.014 4.542 4.556 0.000 0.000 0.278 115 H C 1.204 176.324 175.328 -0.347 0.000 1.014 115 H CA 1.261 57.062 56.048 -0.412 0.000 1.211 115 H CB 0.377 30.041 29.762 -0.163 0.000 1.365 115 H HN 0.612 nan 8.280 nan 0.000 0.594 116 E N 0.560 120.196 120.200 -0.940 0.000 2.481 116 E HA 0.043 4.393 4.350 0.000 0.000 0.198 116 E C -0.506 175.729 176.600 -0.608 0.000 1.027 116 E CA -0.387 55.557 56.400 -0.760 0.000 0.900 116 E CB -0.140 29.006 29.700 -0.924 0.000 0.993 116 E HN 0.180 nan 8.360 nan 0.000 0.482 117 F N 1.409 121.216 119.950 -0.238 0.000 2.440 117 F HA 0.505 5.032 4.527 0.001 0.000 0.328 117 F C 0.258 176.027 175.800 -0.052 0.000 1.070 117 F CA -1.128 56.791 58.000 -0.135 0.000 1.011 117 F CB 1.017 39.918 39.000 -0.166 0.000 1.226 117 F HN -0.251 nan 8.300 nan 0.000 0.491 118 D N 1.753 122.312 120.400 0.264 0.000 2.763 118 D HA 0.242 4.882 4.640 0.000 0.000 0.235 118 D C -1.478 174.840 176.300 0.031 0.000 1.334 118 D CA -0.351 53.713 54.000 0.108 0.000 0.950 118 D CB 2.567 43.511 40.800 0.240 0.000 1.433 118 D HN 0.267 nan 8.370 nan 0.000 0.580 119 L N 3.089 124.229 121.223 -0.138 0.000 2.350 119 L HA 0.464 4.804 4.340 0.000 0.000 0.275 119 L C -1.573 175.043 176.870 -0.424 0.000 1.099 119 L CA -0.111 54.653 54.840 -0.127 0.000 0.808 119 L CB 0.475 42.507 42.059 -0.046 0.000 1.149 119 L HN 0.252 nan 8.230 nan 0.000 0.442 120 Y N 2.711 122.850 120.300 -0.268 0.000 2.354 120 Y HA 0.464 5.014 4.550 0.000 0.000 0.330 120 Y C -0.543 175.315 175.900 -0.069 0.000 1.011 120 Y CA -0.672 57.216 58.100 -0.353 0.000 1.099 120 Y CB 1.628 39.371 38.460 -1.195 0.000 1.179 120 Y HN 0.573 nan 8.280 nan 0.000 0.442 121 E N 2.073 122.454 120.200 0.302 0.000 2.176 121 E HA 0.202 4.552 4.350 0.000 0.000 0.267 121 E C -0.822 175.870 176.600 0.152 0.000 0.893 121 E CA -1.091 55.465 56.400 0.260 0.000 0.761 121 E CB 1.182 30.953 29.700 0.119 0.000 1.133 121 E HN 0.365 nan 8.360 nan 0.000 0.409 122 N N 2.852 121.556 118.700 0.006 0.000 2.411 122 N HA -0.082 4.658 4.740 0.000 0.000 0.265 122 N C 0.406 175.846 175.510 -0.117 0.000 1.266 122 N CA 0.519 53.363 53.050 -0.343 0.000 0.889 122 N CB 0.625 39.095 38.487 -0.028 0.000 1.069 122 N HN 0.470 nan 8.380 nan 0.000 0.476 123 K N 2.356 122.634 120.400 -0.204 0.000 2.280 123 K HA -0.153 4.168 4.320 0.000 0.000 0.202 123 K C 0.663 177.179 176.600 -0.140 0.000 1.047 123 K CA 1.067 57.280 56.287 -0.123 0.000 0.942 123 K CB 0.145 32.580 32.500 -0.109 0.000 0.739 123 K HN 0.519 nan 8.250 nan 0.000 0.457 124 D N -0.413 119.857 120.400 -0.216 0.000 2.309 124 D HA -0.132 4.508 4.640 0.000 0.000 0.212 124 D C 0.499 176.444 176.300 -0.592 0.000 0.968 124 D CA 1.065 54.824 54.000 -0.401 0.000 0.882 124 D CB 0.147 40.641 40.800 -0.511 0.000 0.918 124 D HN 0.287 nan 8.370 nan 0.000 0.503 125 Y N -0.901 119.374 120.300 -0.042 0.000 2.531 125 Y HA 0.358 4.908 4.550 0.000 0.000 0.249 125 Y C 0.111 176.002 175.900 -0.015 0.000 1.168 125 Y CA -0.384 57.710 58.100 -0.009 0.000 1.226 125 Y CB 0.643 39.115 38.460 0.020 0.000 1.177 125 Y HN -0.166 nan 8.280 nan 0.000 0.527 126 I N 1.441 122.034 120.570 0.038 0.000 2.328 126 I HA 0.226 4.396 4.170 0.000 0.000 0.287 126 I C 0.337 176.435 176.117 -0.031 0.000 1.012 126 I CA -0.850 60.443 61.300 -0.011 0.000 1.195 126 I CB 1.049 39.004 38.000 -0.074 0.000 1.350 126 I HN 0.015 nan 8.210 nan 0.000 0.464 127 R N 5.268 125.763 120.500 -0.007 0.000 2.481 127 R HA -0.114 4.227 4.340 0.000 0.000 0.291 127 R C 0.905 177.234 176.300 0.048 0.000 0.934 127 R CA 0.408 56.519 56.100 0.018 0.000 1.116 127 R CB 0.389 30.711 30.300 0.037 0.000 0.895 127 R HN 0.742 nan 8.270 nan 0.000 0.410 128 N N 3.487 122.230 118.700 0.071 0.000 2.236 128 N HA -0.009 4.732 4.740 0.000 0.000 0.196 128 N C 0.012 175.617 175.510 0.159 0.000 1.114 128 N CA 0.009 53.144 53.050 0.142 0.000 0.859 128 N CB -0.231 38.295 38.487 0.065 0.000 0.982 128 N HN 0.516 nan 8.380 nan 0.000 0.493 129 c N -0.614 118.052 118.600 0.109 0.000 2.407 129 c HA 0.763 5.333 4.570 0.000 0.000 0.366 129 c C 0.491 174.623 174.090 0.071 0.000 1.213 129 c CA -1.651 54.711 56.329 0.055 0.000 2.011 129 c CB 0.135 42.661 42.510 0.026 0.000 2.306 129 c HN 0.150 nan 8.230 nan 0.000 0.527 130 I N 1.000 121.572 120.570 0.004 0.000 2.488 130 I HA 0.421 4.591 4.170 0.000 0.000 0.299 130 I C -0.225 175.904 176.117 0.020 0.000 0.984 130 I CA -0.501 60.803 61.300 0.006 0.000 1.250 130 I CB 1.291 39.253 38.000 -0.063 0.000 1.389 130 I HN 0.562 nan 8.210 nan 0.000 0.488 131 I N 5.164 125.754 120.570 0.033 0.000 2.460 131 I HA 0.401 4.572 4.170 0.000 0.000 0.277 131 I C 0.692 176.823 176.117 0.023 0.000 1.057 131 I CA -0.036 61.280 61.300 0.027 0.000 1.179 131 I CB 0.623 38.642 38.000 0.032 0.000 1.329 131 I HN 0.959 nan 8.210 nan 0.000 0.478 132 G N 5.818 114.627 108.800 0.015 0.000 2.742 132 G HA2 -0.234 3.727 3.960 0.000 0.000 0.255 132 G HA3 -0.234 3.727 3.960 0.000 0.000 0.255 132 G C 0.551 175.460 174.900 0.015 0.000 1.322 132 G CA -0.368 44.742 45.100 0.015 0.000 0.967 132 G HN 0.440 nan 8.290 nan 0.000 0.556 133 K N 2.296 122.711 120.400 0.025 0.000 2.417 133 K HA 0.368 4.688 4.320 0.000 0.000 0.196 133 K C 1.442 178.064 176.600 0.037 0.000 1.023 133 K CA 0.913 57.220 56.287 0.032 0.000 1.122 133 K CB -0.018 32.508 32.500 0.044 0.000 0.850 133 K HN 2.167 nan 8.250 nan 0.000 0.521 134 G N 1.781 110.600 108.800 0.032 0.000 2.371 134 G HA2 -0.264 3.696 3.960 0.000 0.000 0.299 134 G HA3 -0.264 3.696 3.960 0.000 0.000 0.299 134 G C 0.827 175.771 174.900 0.073 0.000 1.014 134 G CA 0.300 45.429 45.100 0.049 0.000 1.097 134 G HN 0.432 nan 8.290 nan 0.000 0.512 135 G N -0.410 108.427 108.800 0.063 0.000 2.744 135 G HA2 0.273 4.233 3.960 0.000 0.000 0.211 135 G HA3 0.273 4.233 3.960 0.000 0.000 0.211 135 G C 1.429 176.357 174.900 0.048 0.000 1.143 135 G CA 1.363 46.497 45.100 0.057 0.000 0.788 135 G HN 1.612 nan 8.290 nan 0.000 0.534 136 S N -1.187 114.549 115.700 0.059 0.000 2.664 136 S HA 0.273 4.743 4.470 0.000 0.000 0.245 136 S C 0.062 174.688 174.600 0.044 0.000 1.019 136 S CA -0.854 57.367 58.200 0.035 0.000 0.996 136 S CB -0.226 62.989 63.200 0.024 0.000 0.878 136 S HN 0.202 nan 8.310 nan 0.000 0.493 137 Y N 3.403 123.674 120.300 -0.047 0.000 2.569 137 Y HA 0.313 4.863 4.550 0.000 0.000 0.332 137 Y C 0.675 176.525 175.900 -0.084 0.000 1.120 137 Y CA -0.152 57.914 58.100 -0.057 0.000 1.416 137 Y CB 0.536 38.965 38.460 -0.051 0.000 1.210 137 Y HN 0.048 nan 8.280 nan 0.000 0.528 138 K N 4.976 124.920 120.400 -0.760 0.000 2.506 138 K HA 0.254 4.574 4.320 0.000 0.000 0.204 138 K C 0.461 176.542 176.600 -0.866 0.000 1.045 138 K CA 0.239 56.131 56.287 -0.658 0.000 1.074 138 K CB 0.672 32.967 32.500 -0.342 0.000 0.842 138 K HN 0.836 nan 8.250 nan 0.000 0.514 139 G N 0.975 108.886 108.800 -1.482 0.000 2.572 139 G HA2 0.096 4.056 3.960 0.000 0.000 0.261 139 G HA3 0.096 4.056 3.960 0.000 0.000 0.261 139 G C 0.846 175.415 174.900 -0.551 0.000 1.197 139 G CA -0.200 44.422 45.100 -0.796 0.000 0.870 139 G HN 0.135 nan 8.290 nan 0.000 0.548 140 T N -1.787 112.594 114.554 -0.288 0.000 3.252 140 T HA 0.118 4.468 4.350 0.000 0.000 0.250 140 T C 0.792 175.643 174.700 0.251 0.000 1.123 140 T CA -0.337 61.701 62.100 -0.105 0.000 1.006 140 T CB -0.239 68.667 68.868 0.063 0.000 0.992 140 T HN 0.174 nan 8.240 nan 0.000 0.547 141 V N 3.091 123.158 119.914 0.254 0.000 2.655 141 V HA 0.312 4.432 4.120 0.000 0.000 0.300 141 V C 0.922 177.181 176.094 0.274 0.000 1.044 141 V CA 0.382 62.829 62.300 0.244 0.000 1.095 141 V CB 0.788 32.735 31.823 0.206 0.000 0.952 141 V HN 0.743 nan 8.190 nan 0.000 0.485 142 S N 3.619 119.431 115.700 0.187 0.000 2.949 142 S HA 0.502 4.973 4.470 0.000 0.000 0.246 142 S C -0.643 173.996 174.600 0.065 0.000 0.899 142 S CA -0.450 57.832 58.200 0.138 0.000 1.091 142 S CB -0.263 63.016 63.200 0.131 0.000 1.199 142 S HN 0.443 nan 8.310 nan 0.000 0.507 143 I N 2.337 122.940 120.570 0.056 0.000 2.498 143 I HA 0.425 4.596 4.170 0.000 0.000 0.290 143 I C 0.341 176.468 176.117 0.016 0.000 1.032 143 I CA -0.734 60.583 61.300 0.029 0.000 1.073 143 I CB 2.426 40.444 38.000 0.030 0.000 1.251 143 I HN 0.314 nan 8.210 nan 0.000 0.426 144 T N 1.118 115.673 114.554 0.002 0.000 2.899 144 T HA 0.153 4.503 4.350 0.000 0.000 0.295 144 T C 1.086 175.778 174.700 -0.013 0.000 1.033 144 T CA -0.556 61.539 62.100 -0.008 0.000 1.084 144 T CB 1.415 70.269 68.868 -0.024 0.000 0.979 144 T HN 0.751 nan 8.240 nan 0.000 0.532 145 K N 0.968 121.356 120.400 -0.020 0.000 2.227 145 K HA -0.220 4.100 4.320 0.000 0.000 0.208 145 K C 1.514 178.101 176.600 -0.022 0.000 1.045 145 K CA 2.006 58.279 56.287 -0.024 0.000 0.931 145 K CB -0.529 31.951 32.500 -0.032 0.000 0.721 145 K HN 0.818 nan 8.250 nan 0.000 0.469 146 S N -1.723 113.962 115.700 -0.025 0.000 2.537 146 S HA 0.298 4.768 4.470 0.000 0.000 0.246 146 S C 0.746 175.338 174.600 -0.013 0.000 1.036 146 S CA 0.045 58.232 58.200 -0.022 0.000 1.041 146 S CB 0.749 63.931 63.200 -0.029 0.000 0.799 146 S HN 0.492 nan 8.310 nan 0.000 0.456 147 G N 1.512 110.307 108.800 -0.008 0.000 2.162 147 G HA2 -0.245 3.715 3.960 0.000 0.000 0.260 147 G HA3 -0.245 3.715 3.960 0.000 0.000 0.260 147 G C -0.021 174.880 174.900 0.001 0.000 0.976 147 G CA 0.248 45.347 45.100 -0.001 0.000 0.655 147 G HN 0.676 nan 8.290 nan 0.000 0.533 148 I N 0.774 121.342 120.570 -0.003 0.000 2.395 148 I HA 0.293 4.463 4.170 0.000 0.000 0.289 148 I C 0.918 177.036 176.117 0.003 0.000 1.023 148 I CA -0.712 60.589 61.300 0.001 0.000 1.350 148 I CB 1.270 39.271 38.000 0.000 0.000 1.409 148 I HN 0.065 nan 8.210 nan 0.000 0.507 149 K N 5.119 125.523 120.400 0.006 0.000 2.355 149 K HA 0.210 4.530 4.320 0.000 0.000 0.270 149 K C -0.699 175.894 176.600 -0.011 0.000 1.003 149 K CA -0.413 55.876 56.287 0.003 0.000 0.957 149 K CB 0.706 33.209 32.500 0.006 0.000 0.939 149 K HN 0.687 nan 8.250 nan 0.000 0.482 150 c N 2.503 121.084 118.600 -0.031 0.000 2.443 150 c HA 0.203 4.773 4.570 0.000 0.000 0.369 150 c C 0.218 174.246 174.090 -0.103 0.000 1.241 150 c CA -0.575 55.703 56.329 -0.085 0.000 2.413 150 c CB 0.847 43.280 42.510 -0.128 0.000 2.451 150 c HN 0.779 nan 8.230 nan 0.000 0.595 151 Q N 1.808 121.519 119.800 -0.148 0.000 2.241 151 Q HA 0.320 4.661 4.340 0.000 0.000 0.254 151 Q C -2.560 173.288 176.000 -0.254 0.000 0.917 151 Q CA -1.329 54.399 55.803 -0.125 0.000 0.919 151 Q CB 1.173 29.891 28.738 -0.033 0.000 1.237 151 Q HN 0.430 nan 8.270 nan 0.000 0.434 152 P HA -0.070 nan 4.420 nan 0.000 0.264 152 P C -0.587 176.696 177.300 -0.028 0.000 1.193 152 P CA 0.254 63.296 63.100 -0.096 0.000 0.763 152 P CB 0.244 31.943 31.700 -0.002 0.000 0.810 153 W N 1.429 122.788 121.300 0.098 0.000 2.421 153 W HA -0.065 4.595 4.660 0.000 0.000 0.270 153 W C 1.597 178.272 176.519 0.260 0.000 1.233 153 W CA 0.520 57.993 57.345 0.213 0.000 1.226 153 W CB -0.664 28.897 29.460 0.168 0.000 1.121 153 W HN 0.359 nan 8.180 nan 0.000 0.579 154 N N 0.084 118.986 118.700 0.336 0.000 2.322 154 N HA 0.024 4.764 4.740 0.000 0.000 0.216 154 N C -0.646 174.957 175.510 0.156 0.000 1.144 154 N CA 0.288 53.469 53.050 0.219 0.000 0.830 154 N CB 0.306 38.888 38.487 0.159 0.000 1.034 154 N HN -0.133 nan 8.380 nan 0.000 0.484 155 S N -0.095 115.713 115.700 0.180 0.000 2.526 155 S HA 0.445 4.916 4.470 0.000 0.000 0.293 155 S C 0.355 175.051 174.600 0.161 0.000 1.092 155 S CA -0.510 57.762 58.200 0.120 0.000 0.980 155 S CB 0.792 64.036 63.200 0.073 0.000 1.048 155 S HN -0.016 nan 8.310 nan 0.000 0.483 156 M N 4.162 123.817 119.600 0.092 0.000 2.560 156 M HA 0.429 4.909 4.480 0.000 0.000 0.297 156 M C -0.839 175.491 176.300 0.050 0.000 1.201 156 M CA 0.306 55.655 55.300 0.082 0.000 0.973 156 M CB -0.911 31.704 32.600 0.025 0.000 1.401 156 M HN 0.492 nan 8.290 nan 0.000 0.497 157 I N -0.401 120.194 120.570 0.042 0.000 2.686 157 I HA 0.288 4.458 4.170 0.000 0.000 0.295 157 I C -1.835 174.293 176.117 0.017 0.000 1.114 157 I CA -1.744 59.558 61.300 0.003 0.000 1.038 157 I CB 2.681 40.678 38.000 -0.005 0.000 1.238 157 I HN -0.140 nan 8.210 nan 0.000 0.420 158 P HA -0.038 nan 4.420 nan 0.000 0.221 158 P C -0.505 176.598 177.300 -0.328 0.000 1.150 158 P CA 1.252 64.219 63.100 -0.222 0.000 0.800 158 P CB 0.093 31.566 31.700 -0.378 0.000 0.787 159 H N -1.300 117.749 119.070 -0.036 0.000 2.616 159 H HA 0.458 5.015 4.556 0.000 0.000 0.353 159 H C 0.155 175.436 175.328 -0.078 0.000 1.170 159 H CA -0.840 55.169 56.048 -0.064 0.000 1.212 159 H CB 0.867 30.571 29.762 -0.096 0.000 1.653 159 H HN -0.084 nan 8.280 nan 0.000 0.537 160 E N 1.825 122.079 120.200 0.090 0.000 2.202 160 E HA 0.277 4.628 4.350 0.000 0.000 0.272 160 E C -0.365 176.302 176.600 0.110 0.000 0.951 160 E CA -0.827 55.624 56.400 0.084 0.000 0.813 160 E CB 1.704 31.428 29.700 0.040 0.000 1.151 160 E HN 0.726 nan 8.360 nan 0.000 0.398 161 H N -1.495 117.534 119.070 -0.068 0.000 2.984 161 H HA 0.270 4.827 4.556 0.000 0.000 0.277 161 H C -0.101 175.284 175.328 0.096 0.000 1.502 161 H CA -0.643 55.430 56.048 0.041 0.000 1.195 161 H CB 0.771 30.565 29.762 0.053 0.000 1.866 161 H HN 0.456 nan 8.280 nan 0.000 0.594 162 S N -0.774 114.977 115.700 0.086 0.000 2.526 162 S HA 0.177 4.648 4.470 0.000 0.000 0.220 162 S C 0.058 174.684 174.600 0.042 0.000 1.017 162 S CA -0.529 57.625 58.200 -0.077 0.000 0.930 162 S CB -0.392 62.715 63.200 -0.154 0.000 0.856 162 S HN 0.292 nan 8.310 nan 0.000 0.497 163 F N 2.995 123.300 119.950 0.590 0.000 2.659 163 F HA 0.407 4.934 4.527 0.000 0.000 0.356 163 F C 0.283 176.443 175.800 0.601 0.000 1.273 163 F CA -0.380 58.065 58.000 0.741 0.000 1.243 163 F CB -0.661 38.882 39.000 0.905 0.000 1.683 163 F HN 0.133 nan 8.300 nan 0.000 0.679 164 L N 3.037 124.535 121.223 0.459 0.000 2.375 164 L HA 0.319 4.659 4.340 0.000 0.000 0.268 164 L C -1.246 175.792 176.870 0.279 0.000 1.058 164 L CA -1.820 53.200 54.840 0.300 0.000 0.803 164 L CB 1.454 43.583 42.059 0.116 0.000 1.212 164 L HN 0.062 nan 8.230 nan 0.000 0.451 165 P HA -0.127 nan 4.420 nan 0.000 0.218 165 P C 1.345 178.695 177.300 0.083 0.000 1.149 165 P CA 1.005 64.183 63.100 0.129 0.000 0.817 165 P CB 0.189 31.959 31.700 0.115 0.000 0.785 166 S N -2.075 113.662 115.700 0.062 0.000 2.447 166 S HA -0.063 4.408 4.470 0.000 0.000 0.233 166 S C 1.758 176.343 174.600 -0.026 0.000 1.006 166 S CA 1.256 59.462 58.200 0.010 0.000 0.957 166 S CB -1.047 62.153 63.200 -0.001 0.000 0.773 166 S HN 0.058 nan 8.310 nan 0.000 0.507 167 S N 0.926 116.611 115.700 -0.026 0.000 2.291 167 S HA 0.203 4.673 4.470 0.000 0.000 0.185 167 S C 0.174 174.653 174.600 -0.202 0.000 0.996 167 S CA -0.050 58.042 58.200 -0.181 0.000 0.997 167 S CB -0.824 62.186 63.200 -0.316 0.000 0.899 167 S HN 0.541 nan 8.310 nan 0.000 0.493 168 Y N 3.075 123.381 120.300 0.010 0.000 2.823 168 Y HA 0.153 4.703 4.550 0.000 0.000 0.345 168 Y C 0.826 176.709 175.900 -0.029 0.000 1.154 168 Y CA -0.103 57.996 58.100 -0.001 0.000 2.010 168 Y CB -0.696 37.771 38.460 0.011 0.000 2.099 168 Y HN -0.043 nan 8.280 nan 0.000 0.409 169 R N 0.930 121.451 120.500 0.035 0.000 2.389 169 R HA 0.319 4.659 4.340 0.000 0.000 0.295 169 R C 1.155 177.465 176.300 0.017 0.000 1.075 169 R CA 0.402 56.512 56.100 0.017 0.000 1.005 169 R CB 0.753 31.044 30.300 -0.014 0.000 0.987 169 R HN 0.828 nan 8.270 nan 0.000 0.452 170 G N 3.552 112.357 108.800 0.008 0.000 2.234 170 G HA2 -0.222 3.738 3.960 0.000 0.000 0.235 170 G HA3 -0.222 3.738 3.960 0.000 0.000 0.235 170 G C 0.762 175.656 174.900 -0.009 0.000 0.997 170 G CA -0.078 45.021 45.100 -0.001 0.000 0.623 170 G HN 0.491 nan 8.290 nan 0.000 0.514 171 K N 1.053 121.453 120.400 -0.001 0.000 2.444 171 K HA 0.154 4.474 4.320 0.000 0.000 0.193 171 K C 0.812 177.342 176.600 -0.118 0.000 1.024 171 K CA 0.519 56.780 56.287 -0.043 0.000 1.077 171 K CB -0.136 32.353 32.500 -0.018 0.000 0.833 171 K HN 0.519 nan 8.250 nan 0.000 0.517 172 D N 1.039 121.389 120.400 -0.084 0.000 2.803 172 D HA -0.202 4.439 4.640 0.000 0.000 0.233 172 D C -0.597 175.616 176.300 -0.145 0.000 1.182 172 D CA 0.301 54.253 54.000 -0.080 0.000 0.726 172 D CB -1.200 39.549 40.800 -0.084 0.000 0.987 172 D HN 0.195 nan 8.370 nan 0.000 0.412 173 L N 1.740 122.828 121.223 -0.226 0.000 2.727 173 L HA 0.143 4.484 4.340 0.000 0.000 0.237 173 L C 1.510 178.326 176.870 -0.091 0.000 1.370 173 L CA -0.127 54.401 54.840 -0.520 0.000 1.248 173 L CB -0.222 41.472 42.059 -0.609 0.000 1.556 173 L HN 0.160 nan 8.230 nan 0.000 0.420 174 Q N 0.542 120.418 119.800 0.127 0.000 2.382 174 Q HA 0.100 4.440 4.340 0.000 0.000 0.229 174 Q C 0.627 176.709 176.000 0.136 0.000 1.006 174 Q CA -0.659 55.273 55.803 0.214 0.000 0.916 174 Q CB 1.052 30.018 28.738 0.379 0.000 1.235 174 Q HN 0.297 nan 8.270 nan 0.000 0.512 175 E N 1.138 121.303 120.200 -0.058 0.000 3.599 175 E HA -0.323 4.027 4.350 0.000 0.000 0.411 175 E C 0.345 176.905 176.600 -0.065 0.000 1.613 175 E CA 1.928 58.207 56.400 -0.203 0.000 1.723 175 E CB -0.839 28.480 29.700 -0.635 0.000 1.589 175 E HN 0.971 nan 8.360 nan 0.000 0.417 176 N N 0.502 119.055 118.700 -0.244 0.000 2.497 176 N HA 0.052 4.792 4.740 0.000 0.000 0.284 176 N C -0.854 174.650 175.510 -0.010 0.000 1.459 176 N CA -0.192 52.751 53.050 -0.178 0.000 0.899 176 N CB -0.270 38.112 38.487 -0.174 0.000 1.316 176 N HN 0.098 nan 8.380 nan 0.000 0.500 177 Y N 0.456 120.932 120.300 0.293 0.000 2.426 177 Y HA 0.147 4.697 4.550 0.001 0.000 0.344 177 Y C 1.223 177.329 175.900 0.343 0.000 1.256 177 Y CA -1.073 57.186 58.100 0.264 0.000 1.451 177 Y CB 0.501 39.077 38.460 0.194 0.000 1.342 177 Y HN 0.104 nan 8.280 nan 0.000 0.600 178 c N 5.525 124.388 118.600 0.438 0.000 2.555 178 c HA 0.422 4.992 4.570 0.000 0.000 0.385 178 c C 0.484 174.750 174.090 0.292 0.000 1.296 178 c CA -0.646 55.853 56.329 0.283 0.000 1.757 178 c CB -1.535 41.081 42.510 0.178 0.000 2.445 178 c HN 0.582 nan 8.230 nan 0.000 0.571 179 R N 2.535 123.090 120.500 0.092 0.000 2.888 179 R HA 0.444 4.785 4.340 0.000 0.000 0.264 179 R C -0.885 175.127 176.300 -0.479 0.000 1.045 179 R CA -0.752 55.252 56.100 -0.160 0.000 0.962 179 R CB 1.427 31.464 30.300 -0.438 0.000 1.210 179 R HN 0.579 nan 8.270 nan 0.000 0.479 180 N N 1.118 119.637 118.700 -0.301 0.000 2.727 180 N HA 0.300 5.040 4.740 0.000 0.000 0.252 180 N C -2.256 173.199 175.510 -0.091 0.000 1.283 180 N CA -1.746 51.217 53.050 -0.145 0.000 0.782 180 N CB 1.173 39.697 38.487 0.061 0.000 1.199 180 N HN 0.096 nan 8.380 nan 0.000 0.520 181 P HA -0.044 nan 4.420 nan 0.000 0.214 181 P C 0.838 178.178 177.300 0.068 0.000 1.162 181 P CA 1.058 64.042 63.100 -0.192 0.000 0.879 181 P CB 0.392 31.695 31.700 -0.661 0.000 0.786 182 R N -1.173 119.426 120.500 0.165 0.000 2.323 182 R HA 0.190 4.530 4.340 0.000 0.000 0.198 182 R C 1.357 177.755 176.300 0.163 0.000 0.988 182 R CA 0.850 57.087 56.100 0.229 0.000 1.041 182 R CB -1.399 29.063 30.300 0.270 0.000 0.926 182 R HN 0.284 nan 8.270 nan 0.000 0.476 183 G N 1.884 110.769 108.800 0.141 0.000 2.198 183 G HA2 -0.317 3.643 3.960 0.000 0.000 0.260 183 G HA3 -0.317 3.643 3.960 0.000 0.000 0.260 183 G C -0.005 174.956 174.900 0.102 0.000 1.025 183 G CA 0.360 45.525 45.100 0.108 0.000 0.769 183 G HN 0.413 nan 8.290 nan 0.000 0.507 184 E N -0.312 119.961 120.200 0.122 0.000 2.468 184 E HA 0.076 4.426 4.350 0.000 0.000 0.263 184 E C 1.184 177.822 176.600 0.063 0.000 1.192 184 E CA 0.089 56.534 56.400 0.074 0.000 1.016 184 E CB 0.412 30.129 29.700 0.027 0.000 0.980 184 E HN 0.339 nan 8.360 nan 0.000 0.467 185 E N 0.967 121.186 120.200 0.033 0.000 2.047 185 E HA -0.136 4.214 4.350 0.000 0.000 0.191 185 E C 2.056 178.673 176.600 0.029 0.000 0.987 185 E CA 1.176 57.591 56.400 0.026 0.000 0.799 185 E CB -0.593 29.114 29.700 0.011 0.000 0.752 185 E HN 0.798 nan 8.360 nan 0.000 0.449 186 G N 0.988 109.802 108.800 0.025 0.000 2.503 186 G HA2 -0.127 3.833 3.960 0.000 0.000 0.221 186 G HA3 -0.127 3.833 3.960 0.000 0.000 0.221 186 G C 0.912 175.849 174.900 0.062 0.000 1.131 186 G CA 1.447 46.566 45.100 0.032 0.000 0.756 186 G HN 0.628 nan 8.290 nan 0.000 0.572 187 G N -1.277 107.587 108.800 0.107 0.000 2.526 187 G HA2 0.036 3.997 3.960 0.000 0.000 0.250 187 G HA3 0.036 3.997 3.960 0.000 0.000 0.250 187 G C -2.951 172.051 174.900 0.170 0.000 1.289 187 G CA -0.509 44.646 45.100 0.091 0.000 0.947 187 G HN 0.310 nan 8.290 nan 0.000 0.517 188 P HA 0.292 nan 4.420 nan 0.000 0.264 188 P C 0.156 177.524 177.300 0.112 0.000 1.183 188 P CA 0.825 63.922 63.100 -0.005 0.000 0.763 188 P CB 0.165 31.750 31.700 -0.191 0.000 0.807 189 W N 2.196 123.510 121.300 0.022 0.000 3.069 189 W HA 0.670 5.331 4.660 0.000 0.000 0.390 189 W C -1.403 175.136 176.519 0.034 0.000 1.130 189 W CA -0.876 56.466 57.345 -0.005 0.000 1.138 189 W CB 0.399 29.850 29.460 -0.015 0.000 1.497 189 W HN 0.654 nan 8.180 nan 0.000 0.600 190 c N -1.121 117.537 118.600 0.096 0.000 3.275 190 c HA 0.685 5.256 4.570 0.000 0.000 0.340 190 c C -1.476 172.459 174.090 -0.258 0.000 1.366 190 c CA -0.944 55.161 56.329 -0.372 0.000 1.227 190 c CB 0.897 43.227 42.510 -0.299 0.000 1.512 190 c HN 0.523 nan 8.230 nan 0.000 0.461 191 F N 2.433 122.110 119.950 -0.455 0.000 2.421 191 F HA 0.470 4.997 4.527 0.001 0.000 0.358 191 F C 1.384 177.041 175.800 -0.239 0.000 1.115 191 F CA 0.455 58.273 58.000 -0.304 0.000 1.160 191 F CB 1.266 39.994 39.000 -0.453 0.000 1.123 191 F HN 0.722 nan 8.300 nan 0.000 0.508 192 T N 1.971 116.533 114.554 0.013 0.000 2.932 192 T HA 0.002 4.352 4.350 0.000 0.000 0.312 192 T C 1.224 176.026 174.700 0.171 0.000 1.071 192 T CA 0.186 62.316 62.100 0.051 0.000 1.128 192 T CB 0.637 69.530 68.868 0.042 0.000 0.984 192 T HN 0.715 nan 8.240 nan 0.000 0.549 193 S N 1.651 117.414 115.700 0.104 0.000 2.593 193 S HA 0.013 4.484 4.470 0.000 0.000 0.217 193 S C 0.570 175.230 174.600 0.101 0.000 0.966 193 S CA -0.384 57.875 58.200 0.099 0.000 0.914 193 S CB -0.410 62.812 63.200 0.037 0.000 0.776 193 S HN 0.750 nan 8.310 nan 0.000 0.523 194 N N 2.219 120.996 118.700 0.128 0.000 2.408 194 N HA 0.230 4.970 4.740 0.000 0.000 0.257 194 N C -2.247 173.342 175.510 0.131 0.000 1.064 194 N CA -1.987 51.119 53.050 0.093 0.000 0.952 194 N CB 1.246 39.775 38.487 0.070 0.000 1.093 194 N HN -0.071 nan 8.380 nan 0.000 0.490 195 P HA -0.156 nan 4.420 nan 0.000 0.220 195 P C 0.221 177.544 177.300 0.038 0.000 1.144 195 P CA 1.065 64.112 63.100 -0.088 0.000 0.800 195 P CB 0.226 31.872 31.700 -0.091 0.000 0.772 196 E N -1.195 119.052 120.200 0.078 0.000 2.481 196 E HA 0.060 4.410 4.350 0.000 0.000 0.195 196 E C 0.271 176.943 176.600 0.120 0.000 1.047 196 E CA 0.354 56.803 56.400 0.081 0.000 0.867 196 E CB 0.103 29.828 29.700 0.042 0.000 0.858 196 E HN 0.138 nan 8.360 nan 0.000 0.513 197 V N 2.274 122.305 119.914 0.195 0.000 2.447 197 V HA 0.242 4.362 4.120 0.000 0.000 0.292 197 V C 1.121 177.311 176.094 0.159 0.000 1.021 197 V CA -0.770 61.607 62.300 0.129 0.000 0.850 197 V CB 2.353 34.190 31.823 0.022 0.000 1.005 197 V HN -0.060 nan 8.190 nan 0.000 0.426 198 R N 2.584 123.128 120.500 0.073 0.000 2.096 198 R HA -0.069 4.271 4.340 0.000 0.000 0.229 198 R C 0.463 176.717 176.300 -0.076 0.000 1.134 198 R CA 2.146 58.152 56.100 -0.156 0.000 0.917 198 R CB 0.009 30.475 30.300 0.277 0.000 0.832 198 R HN 0.795 nan 8.270 nan 0.000 0.430 199 Y N -2.662 117.494 120.300 -0.241 0.000 2.889 199 Y HA 0.691 5.241 4.550 0.000 0.000 0.317 199 Y C -1.043 174.749 175.900 -0.180 0.000 1.414 199 Y CA -1.742 56.169 58.100 -0.315 0.000 1.091 199 Y CB 1.148 39.221 38.460 -0.645 0.000 1.358 199 Y HN 0.107 nan 8.280 nan 0.000 0.487 200 E N 0.163 120.202 120.200 -0.268 0.000 2.470 200 E HA 0.416 4.766 4.350 0.000 0.000 0.287 200 E C -2.023 174.570 176.600 -0.011 0.000 1.126 200 E CA -0.657 55.568 56.400 -0.292 0.000 0.902 200 E CB 2.296 31.872 29.700 -0.207 0.000 1.196 200 E HN 0.670 nan 8.360 nan 0.000 0.430 201 V N 1.742 121.641 119.914 -0.025 0.000 2.963 201 V HA 0.105 4.225 4.120 0.000 0.000 0.306 201 V C 0.234 176.345 176.094 0.029 0.000 1.077 201 V CA -0.064 62.277 62.300 0.067 0.000 1.124 201 V CB 0.792 32.625 31.823 0.017 0.000 0.987 201 V HN 0.694 nan 8.190 nan 0.000 0.487 202 c N 2.640 121.257 118.600 0.029 0.000 2.376 202 c HA 0.317 4.888 4.570 0.000 0.000 0.335 202 c C 0.484 174.550 174.090 -0.041 0.000 1.229 202 c CA -0.754 55.569 56.329 -0.011 0.000 1.867 202 c CB 0.801 43.299 42.510 -0.019 0.000 2.319 202 c HN 0.895 nan 8.230 nan 0.000 0.515 203 D N 2.221 122.599 120.400 -0.037 0.000 2.551 203 D HA 0.357 4.997 4.640 0.000 0.000 0.223 203 D C -0.428 175.836 176.300 -0.060 0.000 1.144 203 D CA 0.334 54.309 54.000 -0.042 0.000 1.025 203 D CB -0.249 40.535 40.800 -0.027 0.000 1.085 203 D HN 0.385 nan 8.370 nan 0.000 0.506 204 I N 3.290 123.799 120.570 -0.101 0.000 2.378 204 I HA 0.322 4.492 4.170 0.000 0.000 0.291 204 I C -1.857 174.195 176.117 -0.110 0.000 0.992 204 I CA -2.263 58.952 61.300 -0.142 0.000 1.154 204 I CB 1.730 39.534 38.000 -0.326 0.000 1.315 204 I HN 0.119 nan 8.210 nan 0.000 0.448 205 P HA 0.023 nan 4.420 nan 0.000 0.265 205 P C -0.759 176.516 177.300 -0.040 0.000 1.187 205 P CA -0.215 62.859 63.100 -0.043 0.000 0.766 205 P CB 0.398 32.083 31.700 -0.024 0.000 0.820 206 Q N 0.994 120.777 119.800 -0.027 0.000 2.306 206 Q HA 0.092 4.432 4.340 0.000 0.000 0.241 206 Q C 0.956 176.952 176.000 -0.006 0.000 0.948 206 Q CA -0.089 55.704 55.803 -0.017 0.000 0.886 206 Q CB 0.907 29.638 28.738 -0.012 0.000 1.227 206 Q HN 0.543 nan 8.270 nan 0.000 0.457 207 c N 0.180 118.782 118.600 0.003 0.000 2.450 207 c HA -0.061 4.510 4.570 0.000 0.000 0.279 207 c C 1.828 175.921 174.090 0.005 0.000 1.335 207 c CA 0.862 57.196 56.329 0.008 0.000 1.749 207 c CB -0.539 41.980 42.510 0.015 0.000 1.963 207 c HN 0.802 nan 8.230 nan 0.000 0.501 208 S N 1.476 117.178 115.700 0.004 0.000 2.519 208 S HA 0.131 4.602 4.470 0.000 0.000 0.245 208 S C 0.783 175.382 174.600 -0.001 0.000 1.152 208 S CA -0.105 58.096 58.200 0.003 0.000 1.175 208 S CB -0.512 62.690 63.200 0.004 0.000 0.829 208 S HN 0.686 nan 8.310 nan 0.000 0.472 209 E N 1.446 121.644 120.200 -0.003 0.000 4.230 209 E HA -0.282 4.069 4.350 0.000 0.000 0.537 209 E C 0.501 177.097 176.600 -0.006 0.000 1.478 209 E CA 1.167 57.564 56.400 -0.006 0.000 3.513 209 E CB -1.077 28.619 29.700 -0.006 0.000 1.357 209 E HN 0.549 nan 8.360 nan 0.000 0.325 210 V N 0.000 119.910 119.914 -0.006 0.000 2.409 210 V HA 0.000 4.120 4.120 0.000 0.000 0.244 210 V CA 0.000 62.297 62.300 -0.006 0.000 1.235 210 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 210 V HN 0.000 nan 8.190 nan 0.000 0.556