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 1y77_1_G DATA FIRST_RESID 1 DATA SEQUENCE MFFIKDLSLN ITLHPSFFGP RMKQYLKTKL LEEVEGSCTG KFGYILCVLD DATA SEQUENCE YDNIDIQRGR ILPTDGSAEF NVKYRAVVFK PFKGEVVDGT VVSCSQHGFE DATA SEQUENCE VQVGPMKVFV TKHLMPQDLT FNAGSNPPSY QSSEDVITIK SRIRVKIEGC DATA SEQUENCE ISQVSSIHAI GSIKEDYLGA I 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 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.773 32.600 0.288 0.000 1.302 2 F N 1.792 121.669 119.950 -0.122 0.000 2.459 2 F HA 0.541 5.068 4.527 -0.000 0.000 0.346 2 F C 0.199 175.877 175.800 -0.204 0.000 1.128 2 F CA 0.400 58.443 58.000 0.072 0.000 1.268 2 F CB 0.221 39.233 39.000 0.019 0.000 1.161 2 F HN -0.052 nan 8.300 nan 0.000 0.583 3 F N 1.627 121.761 119.950 0.305 0.000 2.654 3 F HA 0.630 5.157 4.527 -0.000 0.000 0.334 3 F C -0.321 175.570 175.800 0.152 0.000 1.078 3 F CA -0.956 57.161 58.000 0.194 0.000 0.986 3 F CB 1.378 40.468 39.000 0.149 0.000 1.362 3 F HN 0.035 nan 8.300 nan 0.000 0.498 4 I N 2.093 122.860 120.570 0.328 0.000 2.623 4 I HA 0.235 4.405 4.170 -0.000 0.000 0.275 4 I C -0.883 175.323 176.117 0.148 0.000 1.108 4 I CA -0.553 60.856 61.300 0.182 0.000 1.120 4 I CB 1.153 39.227 38.000 0.124 0.000 1.249 4 I HN 0.312 nan 8.210 nan 0.000 0.500 5 K N 3.789 124.259 120.400 0.116 0.000 2.110 5 K HA 0.329 4.649 4.320 -0.000 0.000 0.263 5 K C -0.558 176.034 176.600 -0.012 0.000 0.975 5 K CA -0.354 55.975 56.287 0.071 0.000 0.895 5 K CB 0.957 33.514 32.500 0.095 0.000 1.060 5 K HN 0.221 nan 8.250 nan 0.000 0.448 6 D N 4.673 125.072 120.400 -0.001 0.000 2.380 6 D HA 0.194 4.834 4.640 -0.000 0.000 0.230 6 D C -0.142 176.136 176.300 -0.035 0.000 1.154 6 D CA -0.003 53.973 54.000 -0.040 0.000 0.859 6 D CB 0.448 41.253 40.800 0.008 0.000 1.045 6 D HN 0.361 nan 8.370 nan 0.000 0.495 7 L N 0.808 121.922 121.223 -0.181 0.000 2.341 7 L HA 0.622 4.961 4.340 -0.000 0.000 0.267 7 L C 0.520 177.530 176.870 0.233 0.000 1.022 7 L CA -0.850 53.953 54.840 -0.061 0.000 0.844 7 L CB 1.425 43.333 42.059 -0.251 0.000 1.436 7 L HN 0.291 nan 8.230 nan 0.000 0.483 8 S N 0.209 116.125 115.700 0.359 0.000 2.547 8 S HA 0.772 5.242 4.470 -0.000 0.000 0.270 8 S C -1.328 173.326 174.600 0.090 0.000 1.150 8 S CA -0.742 57.609 58.200 0.252 0.000 0.850 8 S CB 2.213 65.489 63.200 0.127 0.000 1.118 8 S HN 0.541 nan 8.310 nan 0.000 0.461 9 L N 0.852 122.042 121.223 -0.055 0.000 2.409 9 L HA 0.812 5.152 4.340 -0.000 0.000 0.255 9 L C -1.924 174.910 176.870 -0.059 0.000 1.027 9 L CA -0.479 54.300 54.840 -0.101 0.000 0.834 9 L CB 2.205 44.123 42.059 -0.234 0.000 1.426 9 L HN 0.824 nan 8.230 nan 0.000 0.411 10 N N 2.525 121.203 118.700 -0.038 0.000 2.442 10 N HA 0.614 5.354 4.740 -0.000 0.000 0.274 10 N C -1.413 174.106 175.510 0.015 0.000 1.002 10 N CA -0.086 52.964 53.050 0.000 0.000 0.910 10 N CB 1.586 40.074 38.487 0.001 0.000 1.244 10 N HN 0.531 nan 8.380 nan 0.000 0.492 11 I N 0.852 121.460 120.570 0.063 0.000 2.433 11 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 11 I C 0.089 176.291 176.117 0.142 0.000 1.001 11 I CA -0.652 60.704 61.300 0.094 0.000 1.119 11 I CB 1.850 39.914 38.000 0.108 0.000 1.289 11 I HN 0.140 nan 8.210 nan 0.000 0.438 12 T N 7.150 121.768 114.554 0.107 0.000 2.733 12 T HA 0.415 4.765 4.350 -0.000 0.000 0.294 12 T C -0.273 174.511 174.700 0.141 0.000 0.956 12 T CA -0.273 61.883 62.100 0.094 0.000 0.987 12 T CB 0.680 69.578 68.868 0.051 0.000 0.920 12 T HN 0.325 nan 8.240 nan 0.000 0.470 13 L N 4.046 125.377 121.223 0.180 0.000 2.296 13 L HA 0.433 4.773 4.340 -0.000 0.000 0.286 13 L C 0.149 177.139 176.870 0.200 0.000 1.023 13 L CA -0.979 53.975 54.840 0.190 0.000 0.812 13 L CB 0.983 43.189 42.059 0.245 0.000 1.223 13 L HN 0.711 nan 8.230 nan 0.000 0.421 14 H N 6.403 125.406 119.070 -0.111 0.000 2.790 14 H HA 0.157 4.713 4.556 -0.000 0.000 0.358 14 H C -2.011 173.324 175.328 0.011 0.000 1.103 14 H CA -1.220 54.729 56.048 -0.166 0.000 1.426 14 H CB 1.195 30.691 29.762 -0.443 0.000 1.424 14 H HN 0.358 nan 8.280 nan 0.000 0.599 15 P HA -0.228 nan 4.420 nan 0.000 0.216 15 P C 1.725 178.801 177.300 -0.373 0.000 1.150 15 P CA 1.881 64.520 63.100 -0.768 0.000 0.843 15 P CB 0.067 31.192 31.700 -0.959 0.000 0.787 16 S N -0.683 114.591 115.700 -0.711 0.000 2.412 16 S HA -0.241 4.229 4.470 -0.000 0.000 0.246 16 S C 1.399 176.094 174.600 0.158 0.000 1.073 16 S CA 1.623 59.694 58.200 -0.216 0.000 1.186 16 S CB -1.253 61.892 63.200 -0.091 0.000 1.084 16 S HN 0.169 nan 8.310 nan 0.000 0.434 17 F N 0.003 119.973 119.950 0.034 0.000 2.754 17 F HA 0.187 4.713 4.527 -0.000 0.000 0.303 17 F C 0.491 176.336 175.800 0.075 0.000 1.196 17 F CA -0.624 57.358 58.000 -0.030 0.000 1.416 17 F CB -0.329 38.499 39.000 -0.287 0.000 1.092 17 F HN 0.128 nan 8.300 nan 0.000 0.541 18 F N 1.686 121.671 119.950 0.058 0.000 2.712 18 F HA 0.130 4.657 4.527 -0.000 0.000 0.297 18 F C 1.759 177.589 175.800 0.049 0.000 1.278 18 F CA -0.725 57.305 58.000 0.049 0.000 1.441 18 F CB -1.246 37.755 39.000 0.001 0.000 1.063 18 F HN -0.085 nan 8.300 nan 0.000 0.511 19 G N 1.491 110.401 108.800 0.184 0.000 2.379 19 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.287 19 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.287 19 G C -0.845 174.100 174.900 0.074 0.000 1.422 19 G CA -0.151 45.017 45.100 0.114 0.000 1.081 19 G HN 0.207 nan 8.290 nan 0.000 0.569 20 P HA 0.121 nan 4.420 nan 0.000 0.220 20 P C 0.548 177.860 177.300 0.021 0.000 1.154 20 P CA 0.451 63.572 63.100 0.034 0.000 0.837 20 P CB 0.615 32.334 31.700 0.031 0.000 0.815 21 R N 0.349 120.863 120.500 0.022 0.000 2.396 21 R HA 0.355 4.695 4.340 -0.000 0.000 0.292 21 R C 0.742 177.055 176.300 0.022 0.000 1.240 21 R CA -0.238 55.872 56.100 0.016 0.000 1.270 21 R CB 0.486 30.798 30.300 0.019 0.000 1.108 21 R HN 0.240 nan 8.270 nan 0.000 0.573 22 M N 1.526 121.121 119.600 -0.009 0.000 2.556 22 M HA -0.001 4.479 4.480 -0.000 0.000 0.259 22 M C 1.839 178.103 176.300 -0.061 0.000 1.175 22 M CA 1.169 56.451 55.300 -0.030 0.000 1.202 22 M CB 0.109 32.639 32.600 -0.117 0.000 1.298 22 M HN 0.338 nan 8.290 nan 0.000 0.492 23 K N 0.382 120.715 120.400 -0.111 0.000 2.097 23 K HA -0.347 3.973 4.320 -0.000 0.000 0.214 23 K C 1.952 178.504 176.600 -0.080 0.000 1.052 23 K CA 2.598 58.804 56.287 -0.135 0.000 0.932 23 K CB -0.243 32.201 32.500 -0.093 0.000 0.716 23 K HN 0.342 nan 8.250 nan 0.000 0.455 24 Q N -0.262 119.527 119.800 -0.017 0.000 2.014 24 Q HA -0.250 4.090 4.340 -0.000 0.000 0.207 24 Q C 1.955 177.951 176.000 -0.005 0.000 0.993 24 Q CA 2.304 58.117 55.803 0.016 0.000 0.850 24 Q CB -0.659 28.100 28.738 0.034 0.000 0.916 24 Q HN 0.530 nan 8.270 nan 0.000 0.417 25 Y N 0.090 120.347 120.300 -0.072 0.000 2.128 25 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 25 Y C 1.776 177.634 175.900 -0.071 0.000 1.154 25 Y CA 1.818 59.873 58.100 -0.074 0.000 1.149 25 Y CB -0.200 38.216 38.460 -0.074 0.000 0.976 25 Y HN 0.167 nan 8.280 nan 0.000 0.505 26 L N 0.170 121.424 121.223 0.051 0.000 1.934 26 L HA -0.379 3.961 4.340 -0.000 0.000 0.227 26 L C 2.480 179.243 176.870 -0.178 0.000 1.084 26 L CA 2.257 57.060 54.840 -0.062 0.000 0.790 26 L CB -0.844 41.089 42.059 -0.210 0.000 0.896 26 L HN 0.210 nan 8.230 nan 0.000 0.437 27 K N -0.657 119.616 120.400 -0.210 0.000 2.044 27 K HA -0.289 4.031 4.320 -0.000 0.000 0.224 27 K C 1.870 178.327 176.600 -0.237 0.000 1.056 27 K CA 2.617 58.739 56.287 -0.275 0.000 0.962 27 K CB -0.794 31.498 32.500 -0.347 0.000 0.730 27 K HN 0.396 nan 8.250 nan 0.000 0.453 28 T N 0.900 115.327 114.554 -0.212 0.000 2.685 28 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 28 T C 1.836 176.363 174.700 -0.288 0.000 1.034 28 T CA 1.915 63.876 62.100 -0.232 0.000 1.149 28 T CB -0.158 68.509 68.868 -0.335 0.000 0.860 28 T HN 0.298 nan 8.240 nan 0.000 0.449 29 K N 0.182 120.359 120.400 -0.370 0.000 2.296 29 K HA 0.078 4.398 4.320 -0.000 0.000 0.200 29 K C 2.097 178.605 176.600 -0.154 0.000 1.048 29 K CA 0.278 56.418 56.287 -0.245 0.000 0.966 29 K CB -0.196 32.225 32.500 -0.132 0.000 0.754 29 K HN 0.170 nan 8.250 nan 0.000 0.466 30 L N 1.308 122.420 121.223 -0.184 0.000 1.970 30 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 30 L C 1.670 178.440 176.870 -0.166 0.000 1.071 30 L CA 1.766 56.479 54.840 -0.213 0.000 0.751 30 L CB -0.439 41.449 42.059 -0.286 0.000 0.889 30 L HN 0.174 nan 8.230 nan 0.000 0.432 31 L N -0.745 120.397 121.223 -0.135 0.000 2.349 31 L HA -0.194 4.146 4.340 -0.000 0.000 0.220 31 L C 2.316 179.155 176.870 -0.051 0.000 1.130 31 L CA 1.159 55.959 54.840 -0.066 0.000 0.791 31 L CB -0.835 41.208 42.059 -0.028 0.000 0.918 31 L HN 0.479 nan 8.230 nan 0.000 0.444 32 E N 0.324 120.480 120.200 -0.073 0.000 2.102 32 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 32 E C 0.937 177.514 176.600 -0.039 0.000 0.971 32 E CA 0.470 56.840 56.400 -0.050 0.000 0.821 32 E CB 0.180 29.845 29.700 -0.058 0.000 0.777 32 E HN 0.458 nan 8.360 nan 0.000 0.460 33 E N 0.494 120.663 120.200 -0.052 0.000 2.336 33 E HA 0.074 4.424 4.350 -0.000 0.000 0.214 33 E C 0.052 176.618 176.600 -0.056 0.000 1.144 33 E CA -0.260 56.112 56.400 -0.047 0.000 1.294 33 E CB 0.700 30.374 29.700 -0.043 0.000 1.263 33 E HN -0.009 nan 8.360 nan 0.000 0.439 34 V N -0.683 119.207 119.914 -0.039 0.000 4.655 34 V HA -0.058 4.062 4.120 -0.000 0.000 0.145 34 V C -0.072 176.037 176.094 0.023 0.000 1.292 34 V CA -0.289 62.006 62.300 -0.009 0.000 1.119 34 V CB 0.400 32.223 31.823 -0.000 0.000 1.286 34 V HN 0.155 nan 8.190 nan 0.000 0.626 35 E N 2.000 122.222 120.200 0.036 0.000 2.406 35 E HA 0.339 4.689 4.350 -0.000 0.000 0.247 35 E C 0.916 177.538 176.600 0.036 0.000 1.160 35 E CA 0.986 57.418 56.400 0.053 0.000 0.950 35 E CB -0.233 29.501 29.700 0.056 0.000 0.993 35 E HN 0.797 nan 8.360 nan 0.000 0.472 36 G N 2.729 111.551 108.800 0.037 0.000 2.175 36 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.182 36 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.182 36 G C 0.390 175.258 174.900 -0.052 0.000 1.003 36 G CA 0.096 45.205 45.100 0.016 0.000 0.666 36 G HN 0.602 nan 8.290 nan 0.000 0.506 37 S N -1.338 114.326 115.700 -0.059 0.000 2.661 37 S HA 0.740 5.210 4.470 -0.000 0.000 0.265 37 S C 0.139 174.617 174.600 -0.202 0.000 1.225 37 S CA 0.069 58.207 58.200 -0.104 0.000 0.986 37 S CB 2.266 65.424 63.200 -0.069 0.000 1.008 37 S HN 1.346 nan 8.310 nan 0.000 0.565 38 C N 0.935 120.113 119.300 -0.204 0.000 2.931 38 C HA 0.765 5.225 4.460 -0.000 0.000 0.370 38 C C -0.702 174.202 174.990 -0.143 0.000 1.071 38 C CA -0.172 58.676 59.018 -0.283 0.000 1.266 38 C CB 0.888 28.326 27.740 -0.504 0.000 1.691 38 C HN 1.132 nan 8.230 nan 0.000 0.511 39 T N 1.949 116.459 114.554 -0.074 0.000 2.864 39 T HA 0.490 4.840 4.350 -0.000 0.000 0.299 39 T C 0.912 175.605 174.700 -0.012 0.000 1.166 39 T CA 0.078 62.182 62.100 0.007 0.000 1.007 39 T CB 1.691 70.650 68.868 0.153 0.000 1.219 39 T HN 0.821 nan 8.240 nan 0.000 0.506 40 G N -0.073 108.714 108.800 -0.022 0.000 2.551 40 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.216 40 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.216 40 G C 1.063 175.887 174.900 -0.126 0.000 1.137 40 G CA 0.139 45.192 45.100 -0.078 0.000 0.798 40 G HN 0.613 nan 8.290 nan 0.000 0.536 41 K N -0.919 119.434 120.400 -0.078 0.000 2.400 41 K HA 0.240 4.560 4.320 -0.000 0.000 0.194 41 K C 0.911 177.139 176.600 -0.621 0.000 1.033 41 K CA 0.255 56.373 56.287 -0.282 0.000 1.021 41 K CB 0.131 32.503 32.500 -0.212 0.000 0.808 41 K HN 0.378 nan 8.250 nan 0.000 0.505 42 F N -1.000 118.879 119.950 -0.118 0.000 2.784 42 F HA 0.227 4.754 4.527 -0.000 0.000 0.316 42 F C 1.313 177.046 175.800 -0.111 0.000 1.026 42 F CA 0.302 58.237 58.000 -0.109 0.000 1.188 42 F CB 0.981 39.942 39.000 -0.065 0.000 0.999 42 F HN 0.101 nan 8.300 nan 0.000 0.605 43 G N 0.283 109.105 108.800 0.037 0.000 2.545 43 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.240 43 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.240 43 G C -1.185 173.792 174.900 0.129 0.000 1.172 43 G CA -0.565 44.547 45.100 0.019 0.000 0.949 43 G HN 0.002 nan 8.290 nan 0.000 0.574 44 Y N 0.738 121.014 120.300 -0.041 0.000 2.342 44 Y HA 0.623 5.173 4.550 -0.000 0.000 0.338 44 Y C 0.698 176.642 175.900 0.073 0.000 0.965 44 Y CA -1.077 57.044 58.100 0.035 0.000 1.159 44 Y CB 1.394 39.916 38.460 0.103 0.000 1.157 44 Y HN 0.389 nan 8.280 nan 0.000 0.486 45 I N 6.018 126.673 120.570 0.143 0.000 2.322 45 I HA 0.057 4.227 4.170 -0.000 0.000 0.292 45 I C 0.627 176.830 176.117 0.143 0.000 1.060 45 I CA 0.568 61.943 61.300 0.125 0.000 1.309 45 I CB 0.695 38.741 38.000 0.077 0.000 1.415 45 I HN 0.810 nan 8.210 nan 0.000 0.492 46 L N 5.659 126.978 121.223 0.160 0.000 2.362 46 L HA 0.213 4.553 4.340 -0.000 0.000 0.204 46 L C 0.536 177.481 176.870 0.124 0.000 1.060 46 L CA 0.627 55.558 54.840 0.152 0.000 0.827 46 L CB 0.528 42.681 42.059 0.157 0.000 1.027 46 L HN 0.571 nan 8.230 nan 0.000 0.474 47 C N 0.135 119.509 119.300 0.123 0.000 2.931 47 C HA 0.482 4.942 4.460 -0.000 0.000 0.370 47 C C -0.562 174.496 174.990 0.113 0.000 1.071 47 C CA -0.911 58.175 59.018 0.113 0.000 1.266 47 C CB 1.067 28.871 27.740 0.106 0.000 1.691 47 C HN -0.020 nan 8.230 nan 0.000 0.511 48 V N 7.234 127.224 119.914 0.128 0.000 2.455 48 V HA 0.312 4.432 4.120 -0.000 0.000 0.273 48 V C 0.562 176.728 176.094 0.121 0.000 1.045 48 V CA -0.056 62.331 62.300 0.144 0.000 0.976 48 V CB 0.599 32.529 31.823 0.177 0.000 0.993 48 V HN 0.736 nan 8.190 nan 0.000 0.475 49 L N 2.575 123.854 121.223 0.093 0.000 2.469 49 L HA 0.477 4.817 4.340 -0.000 0.000 0.253 49 L C 1.064 177.991 176.870 0.096 0.000 1.143 49 L CA -0.684 54.208 54.840 0.087 0.000 0.804 49 L CB 0.093 42.189 42.059 0.062 0.000 1.214 49 L HN 0.634 nan 8.230 nan 0.000 0.476 50 D N -0.054 120.403 120.400 0.095 0.000 2.720 50 D HA -0.306 4.334 4.640 -0.000 0.000 0.229 50 D C 0.930 177.312 176.300 0.136 0.000 1.198 50 D CA 0.775 54.835 54.000 0.099 0.000 0.639 50 D CB -0.457 40.383 40.800 0.068 0.000 1.003 50 D HN 0.675 nan 8.370 nan 0.000 0.411 51 Y N 0.195 120.513 120.300 0.030 0.000 2.133 51 Y HA -0.364 4.186 4.550 -0.000 0.000 0.279 51 Y C 1.968 177.875 175.900 0.012 0.000 1.209 51 Y CA 2.565 60.679 58.100 0.022 0.000 1.152 51 Y CB -0.006 38.460 38.460 0.010 0.000 0.961 51 Y HN 0.263 nan 8.280 nan 0.000 0.512 52 D N 0.225 120.841 120.400 0.360 0.000 2.088 52 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 52 D C 0.649 177.000 176.300 0.084 0.000 0.983 52 D CA 1.615 55.764 54.000 0.249 0.000 0.846 52 D CB -0.597 40.302 40.800 0.166 0.000 0.992 52 D HN 0.562 nan 8.370 nan 0.000 0.448 53 N N 0.589 119.325 118.700 0.061 0.000 2.585 53 N HA -0.006 4.734 4.740 -0.000 0.000 0.213 53 N C -0.094 175.421 175.510 0.007 0.000 1.385 53 N CA -0.381 52.687 53.050 0.030 0.000 0.871 53 N CB -0.017 38.490 38.487 0.034 0.000 1.154 53 N HN 0.316 nan 8.380 nan 0.000 0.474 54 I N 0.784 121.336 120.570 -0.031 0.000 2.587 54 I HA -0.054 4.116 4.170 -0.000 0.000 0.284 54 I C 0.721 176.812 176.117 -0.043 0.000 1.134 54 I CA 0.066 61.334 61.300 -0.052 0.000 1.410 54 I CB 0.260 38.170 38.000 -0.151 0.000 1.392 54 I HN 0.044 nan 8.210 nan 0.000 0.545 55 D N 7.195 127.589 120.400 -0.011 0.000 2.343 55 D HA 0.173 4.813 4.640 -0.000 0.000 0.255 55 D C 0.765 177.052 176.300 -0.022 0.000 1.187 55 D CA 0.196 54.193 54.000 -0.005 0.000 0.875 55 D CB 1.166 41.979 40.800 0.021 0.000 1.136 55 D HN 0.406 nan 8.370 nan 0.000 0.469 56 I N 2.011 122.561 120.570 -0.034 0.000 3.339 56 I HA -0.023 4.147 4.170 -0.000 0.000 0.285 56 I C 1.038 177.182 176.117 0.044 0.000 1.201 56 I CA -0.079 61.194 61.300 -0.046 0.000 1.434 56 I CB -0.010 37.901 38.000 -0.149 0.000 1.152 56 I HN 0.451 nan 8.210 nan 0.000 0.443 57 Q N 0.688 120.516 119.800 0.046 0.000 0.459 57 Q HA -0.164 4.176 4.340 -0.000 0.000 0.299 57 Q C -0.186 175.897 176.000 0.138 0.000 1.085 57 Q CA 0.669 56.518 55.803 0.078 0.000 0.312 57 Q CB -0.466 28.321 28.738 0.082 0.000 5.515 57 Q HN 0.364 nan 8.270 nan 0.000 0.317 58 R N -0.065 120.512 120.500 0.128 0.000 2.312 58 R HA 0.527 4.867 4.340 -0.000 0.000 0.311 58 R C 0.072 176.450 176.300 0.130 0.000 1.004 58 R CA 0.304 56.495 56.100 0.152 0.000 0.902 58 R CB 1.293 31.639 30.300 0.076 0.000 1.073 58 R HN 0.522 nan 8.270 nan 0.000 0.457 59 G N 1.984 110.848 108.800 0.107 0.000 2.425 59 G HA2 0.357 4.317 3.960 -0.000 0.000 0.302 59 G HA3 0.357 4.317 3.960 -0.000 0.000 0.302 59 G C -0.612 174.042 174.900 -0.409 0.000 1.159 59 G CA -0.779 43.999 45.100 -0.537 0.000 0.865 59 G HN 0.615 nan 8.290 nan 0.000 0.515 60 R N 0.687 120.984 120.500 -0.338 0.000 2.598 60 R HA 0.614 4.954 4.340 -0.000 0.000 0.279 60 R C -0.555 175.635 176.300 -0.183 0.000 0.984 60 R CA -0.871 55.118 56.100 -0.185 0.000 0.999 60 R CB 1.420 31.654 30.300 -0.110 0.000 1.114 60 R HN 0.330 nan 8.270 nan 0.000 0.493 61 I N 3.990 124.509 120.570 -0.085 0.000 2.371 61 I HA 0.097 4.267 4.170 -0.000 0.000 0.290 61 I C 1.028 177.118 176.117 -0.044 0.000 1.028 61 I CA -0.637 60.641 61.300 -0.037 0.000 1.345 61 I CB 0.857 38.855 38.000 -0.002 0.000 1.407 61 I HN 0.491 nan 8.210 nan 0.000 0.501 62 L N 7.467 128.667 121.223 -0.038 0.000 2.247 62 L HA 0.075 4.415 4.340 -0.000 0.000 0.174 62 L C -1.382 175.469 176.870 -0.031 0.000 0.990 62 L CA -0.188 54.632 54.840 -0.034 0.000 0.956 62 L CB -0.392 41.653 42.059 -0.024 0.000 1.315 62 L HN 0.560 nan 8.230 nan 0.000 0.522 63 P HA 0.185 nan 4.420 nan 0.000 0.379 63 P C 0.191 177.475 177.300 -0.026 0.000 1.415 63 P CA 0.030 63.114 63.100 -0.027 0.000 1.586 63 P CB 1.404 33.090 31.700 -0.024 0.000 1.708 64 T N -0.985 113.554 114.554 -0.025 0.000 3.075 64 T HA 0.122 4.472 4.350 -0.000 0.000 0.251 64 T C 0.403 175.086 174.700 -0.028 0.000 0.979 64 T CA 0.508 62.593 62.100 -0.024 0.000 1.033 64 T CB 0.363 69.219 68.868 -0.019 0.000 1.104 64 T HN 0.225 nan 8.240 nan 0.000 0.473 65 D N -0.195 120.190 120.400 -0.025 0.000 2.506 65 D HA 0.414 5.054 4.640 -0.000 0.000 0.254 65 D C 0.824 177.095 176.300 -0.048 0.000 1.089 65 D CA -0.571 53.414 54.000 -0.026 0.000 1.050 65 D CB 1.508 42.309 40.800 0.002 0.000 1.221 65 D HN 0.167 nan 8.370 nan 0.000 0.589 66 G N -0.577 108.172 108.800 -0.086 0.000 2.880 66 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.209 66 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.209 66 G C 0.440 175.282 174.900 -0.097 0.000 1.157 66 G CA -0.199 44.804 45.100 -0.162 0.000 0.779 66 G HN 0.402 nan 8.290 nan 0.000 0.539 67 S N 0.566 116.270 115.700 0.006 0.000 2.599 67 S HA 0.356 4.826 4.470 -0.000 0.000 0.303 67 S C 0.600 175.275 174.600 0.126 0.000 1.267 67 S CA 0.303 58.574 58.200 0.118 0.000 1.055 67 S CB 0.847 64.101 63.200 0.091 0.000 0.790 67 S HN 0.639 nan 8.310 nan 0.000 0.500 68 A N 2.425 125.369 122.820 0.206 0.000 2.311 68 A HA 0.698 5.018 4.320 -0.000 0.000 0.334 68 A C -0.138 177.296 177.584 -0.250 0.000 1.139 68 A CA -0.701 51.306 52.037 -0.050 0.000 0.830 68 A CB 0.945 19.872 19.000 -0.122 0.000 1.234 68 A HN 0.788 nan 8.150 nan 0.000 0.483 69 E N 0.826 120.754 120.200 -0.453 0.000 2.255 69 E HA 0.539 4.889 4.350 -0.000 0.000 0.256 69 E C -1.900 174.436 176.600 -0.440 0.000 0.887 69 E CA -0.274 55.939 56.400 -0.312 0.000 0.782 69 E CB 0.746 30.364 29.700 -0.137 0.000 1.214 69 E HN 0.459 nan 8.360 nan 0.000 0.417 70 F N 2.363 122.298 119.950 -0.025 0.000 2.450 70 F HA 0.346 4.873 4.527 -0.000 0.000 0.332 70 F C 0.754 176.533 175.800 -0.036 0.000 1.093 70 F CA -1.110 56.870 58.000 -0.034 0.000 1.003 70 F CB 1.048 40.018 39.000 -0.050 0.000 1.151 70 F HN 0.305 nan 8.300 nan 0.000 0.474 71 N N 2.444 121.229 118.700 0.143 0.000 2.558 71 N HA 0.155 4.895 4.740 -0.000 0.000 0.233 71 N C -1.141 174.403 175.510 0.057 0.000 1.038 71 N CA -0.050 53.041 53.050 0.069 0.000 0.934 71 N CB 0.830 39.344 38.487 0.046 0.000 1.175 71 N HN 0.389 nan 8.380 nan 0.000 0.512 72 V N 3.905 123.825 119.914 0.010 0.000 2.403 72 V HA -0.004 4.116 4.120 -0.000 0.000 0.265 72 V C 0.678 176.757 176.094 -0.026 0.000 1.034 72 V CA -0.274 61.995 62.300 -0.051 0.000 1.036 72 V CB 0.076 31.802 31.823 -0.161 0.000 1.032 72 V HN 0.438 nan 8.190 nan 0.000 0.478 73 K N 7.758 128.182 120.400 0.040 0.000 2.267 73 K HA 0.354 4.674 4.320 -0.000 0.000 0.282 73 K C -0.567 176.152 176.600 0.198 0.000 1.078 73 K CA -0.240 56.123 56.287 0.126 0.000 0.903 73 K CB 0.071 32.623 32.500 0.087 0.000 1.111 73 K HN 0.653 nan 8.250 nan 0.000 0.475 74 Y N 0.866 121.151 120.300 -0.026 0.000 2.968 74 Y HA 0.704 5.254 4.550 -0.000 0.000 0.316 74 Y C -0.593 175.306 175.900 -0.002 0.000 1.359 74 Y CA -1.744 56.339 58.100 -0.028 0.000 1.107 74 Y CB 1.274 39.703 38.460 -0.050 0.000 1.374 74 Y HN 0.398 nan 8.280 nan 0.000 0.621 75 R N 1.188 121.608 120.500 -0.134 0.000 2.566 75 R HA 0.744 5.084 4.340 -0.000 0.000 0.271 75 R C -2.206 173.960 176.300 -0.223 0.000 1.071 75 R CA -0.384 55.569 56.100 -0.244 0.000 0.915 75 R CB 2.149 32.414 30.300 -0.058 0.000 1.228 75 R HN 1.120 nan 8.270 nan 0.000 0.449 76 A N 2.633 125.312 122.820 -0.235 0.000 2.588 76 A HA 0.573 4.893 4.320 -0.000 0.000 0.290 76 A C -1.552 176.044 177.584 0.020 0.000 1.136 76 A CA -0.603 51.386 52.037 -0.081 0.000 0.681 76 A CB 2.015 20.960 19.000 -0.091 0.000 1.282 76 A HN 0.361 nan 8.150 nan 0.000 0.421 77 V N 1.735 121.702 119.914 0.087 0.000 2.368 77 V HA 0.450 4.570 4.120 -0.000 0.000 0.266 77 V C -0.085 176.121 176.094 0.186 0.000 1.045 77 V CA -0.004 62.391 62.300 0.158 0.000 0.899 77 V CB 0.652 32.581 31.823 0.177 0.000 1.006 77 V HN 0.731 nan 8.190 nan 0.000 0.470 78 V N 4.347 124.400 119.914 0.232 0.000 3.193 78 V HA 0.699 4.819 4.120 -0.000 0.000 0.320 78 V C -0.599 175.684 176.094 0.314 0.000 1.112 78 V CA -1.032 61.416 62.300 0.245 0.000 1.026 78 V CB 1.948 33.902 31.823 0.219 0.000 1.128 78 V HN 0.682 nan 8.190 nan 0.000 0.452 79 F N 2.258 122.230 119.950 0.036 0.000 3.055 79 F HA 0.595 5.122 4.527 -0.000 0.000 0.358 79 F C -1.146 174.624 175.800 -0.050 0.000 1.262 79 F CA -0.936 56.993 58.000 -0.118 0.000 1.172 79 F CB 1.349 39.892 39.000 -0.761 0.000 1.503 79 F HN 0.564 nan 8.300 nan 0.000 0.621 80 K N 7.426 127.536 120.400 -0.482 0.000 2.604 80 K HA 0.512 4.832 4.320 -0.000 0.000 0.247 80 K C -3.387 172.810 176.600 -0.671 0.000 0.956 80 K CA -1.773 54.111 56.287 -0.671 0.000 0.896 80 K CB 2.099 34.312 32.500 -0.479 0.000 1.131 80 K HN 0.349 nan 8.250 nan 0.000 0.440 81 P HA 0.145 nan 4.420 nan 0.000 0.272 81 P C -0.844 176.297 177.300 -0.265 0.000 1.243 81 P CA 0.006 62.979 63.100 -0.211 0.000 0.803 81 P CB 0.328 31.917 31.700 -0.184 0.000 0.974 82 F N -2.235 117.698 119.950 -0.027 0.000 2.664 82 F HA 0.380 4.907 4.527 -0.000 0.000 0.317 82 F C 0.400 176.204 175.800 0.007 0.000 1.108 82 F CA -1.058 56.935 58.000 -0.011 0.000 0.957 82 F CB 1.109 40.115 39.000 0.010 0.000 1.365 82 F HN 0.024 nan 8.300 nan 0.000 0.475 83 K N 0.882 121.417 120.400 0.226 0.000 2.292 83 K HA 0.518 4.838 4.320 -0.000 0.000 0.290 83 K C 0.498 177.162 176.600 0.107 0.000 1.083 83 K CA 0.325 56.686 56.287 0.124 0.000 0.918 83 K CB 0.314 32.866 32.500 0.087 0.000 1.089 83 K HN 0.947 nan 8.250 nan 0.000 0.473 84 G N 2.119 110.971 108.800 0.087 0.000 2.175 84 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.182 84 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.182 84 G C -0.189 174.744 174.900 0.055 0.000 1.003 84 G CA -0.499 44.635 45.100 0.058 0.000 0.666 84 G HN 0.604 nan 8.290 nan 0.000 0.506 85 E N 0.507 120.761 120.200 0.090 0.000 2.283 85 E HA 0.526 4.876 4.350 -0.000 0.000 0.278 85 E C -0.218 176.435 176.600 0.090 0.000 1.027 85 E CA -0.572 55.885 56.400 0.094 0.000 0.843 85 E CB 1.351 31.156 29.700 0.175 0.000 1.062 85 E HN 0.089 nan 8.360 nan 0.000 0.401 86 V N 5.565 125.522 119.914 0.072 0.000 2.347 86 V HA 0.337 4.457 4.120 -0.000 0.000 0.280 86 V C -0.195 175.948 176.094 0.081 0.000 1.021 86 V CA -0.511 61.830 62.300 0.069 0.000 0.847 86 V CB 0.864 32.715 31.823 0.047 0.000 0.990 86 V HN 0.511 nan 8.190 nan 0.000 0.444 87 V N 1.521 121.491 119.914 0.093 0.000 3.049 87 V HA 0.838 4.958 4.120 -0.000 0.000 0.309 87 V C -1.420 174.722 176.094 0.080 0.000 1.148 87 V CA -0.984 61.374 62.300 0.097 0.000 0.990 87 V CB 2.468 34.382 31.823 0.151 0.000 1.039 87 V HN 0.765 nan 8.190 nan 0.000 0.430 88 D N 1.260 121.695 120.400 0.058 0.000 2.342 88 D HA 0.868 5.508 4.640 -0.000 0.000 0.243 88 D C 0.187 176.506 176.300 0.032 0.000 1.019 88 D CA -0.206 53.818 54.000 0.040 0.000 0.864 88 D CB 1.932 42.745 40.800 0.021 0.000 1.315 88 D HN 1.101 nan 8.370 nan 0.000 0.468 89 G N -0.623 108.191 108.800 0.023 0.000 2.870 89 G HA2 0.568 4.528 3.960 -0.000 0.000 0.299 89 G HA3 0.568 4.528 3.960 -0.000 0.000 0.299 89 G C -1.228 173.667 174.900 -0.008 0.000 1.324 89 G CA -0.834 44.275 45.100 0.016 0.000 0.808 89 G HN 0.437 nan 8.290 nan 0.000 0.535 90 T N 0.659 115.210 114.554 -0.004 0.000 2.794 90 T HA 0.524 4.874 4.350 -0.000 0.000 0.280 90 T C 0.379 175.068 174.700 -0.019 0.000 0.987 90 T CA -0.233 61.855 62.100 -0.020 0.000 0.993 90 T CB 1.608 70.472 68.868 -0.008 0.000 0.939 90 T HN 0.403 nan 8.240 nan 0.000 0.449 91 V N 3.840 123.716 119.914 -0.062 0.000 2.963 91 V HA 0.154 4.274 4.120 -0.000 0.000 0.306 91 V C 0.927 177.025 176.094 0.007 0.000 1.077 91 V CA 0.148 62.413 62.300 -0.058 0.000 1.124 91 V CB 1.129 32.854 31.823 -0.162 0.000 0.987 91 V HN 0.828 nan 8.190 nan 0.000 0.487 92 V N 1.101 121.046 119.914 0.053 0.000 3.668 92 V HA 0.164 4.284 4.120 -0.000 0.000 0.199 92 V C 0.576 176.715 176.094 0.076 0.000 1.241 92 V CA 0.693 63.028 62.300 0.059 0.000 1.308 92 V CB 0.673 32.536 31.823 0.066 0.000 1.411 92 V HN 0.854 nan 8.190 nan 0.000 0.535 93 S N -0.231 115.529 115.700 0.100 0.000 2.565 93 S HA 0.646 5.115 4.470 -0.000 0.000 0.290 93 S C -0.738 173.970 174.600 0.180 0.000 1.150 93 S CA -0.543 57.721 58.200 0.107 0.000 1.058 93 S CB 1.766 65.000 63.200 0.057 0.000 1.032 93 S HN 0.539 nan 8.310 nan 0.000 0.510 94 C N 3.166 122.585 119.300 0.200 0.000 2.620 94 C HA 0.786 5.246 4.460 -0.000 0.000 0.356 94 C C -0.085 175.078 174.990 0.289 0.000 1.082 94 C CA -0.028 59.176 59.018 0.309 0.000 1.293 94 C CB 0.011 27.977 27.740 0.376 0.000 1.836 94 C HN 1.181 nan 8.230 nan 0.000 0.453 95 S N 4.182 120.004 115.700 0.204 0.000 2.810 95 S HA 0.470 4.940 4.470 -0.000 0.000 0.315 95 S C 0.747 175.139 174.600 -0.346 0.000 1.138 95 S CA -0.617 57.613 58.200 0.049 0.000 0.889 95 S CB 1.216 64.433 63.200 0.029 0.000 1.236 95 S HN 0.804 nan 8.310 nan 0.000 0.548 96 Q N 0.095 119.564 119.800 -0.552 0.000 2.217 96 Q HA -0.191 4.149 4.340 -0.000 0.000 0.209 96 Q C 1.247 176.970 176.000 -0.461 0.000 0.988 96 Q CA 1.917 57.138 55.803 -0.970 0.000 0.878 96 Q CB -0.689 27.951 28.738 -0.163 0.000 0.909 96 Q HN 0.754 nan 8.270 nan 0.000 0.424 97 H N -0.264 118.675 119.070 -0.218 0.000 2.539 97 H HA 0.315 4.871 4.556 -0.000 0.000 0.267 97 H C 0.823 176.175 175.328 0.040 0.000 0.982 97 H CA 0.203 56.220 56.048 -0.051 0.000 1.146 97 H CB 0.827 30.618 29.762 0.048 0.000 1.382 97 H HN 0.357 nan 8.280 nan 0.000 0.577 98 G N 0.972 109.854 108.800 0.136 0.000 2.369 98 G HA2 0.104 4.064 3.960 -0.000 0.000 0.295 98 G HA3 0.104 4.064 3.960 -0.000 0.000 0.295 98 G C -1.672 173.313 174.900 0.141 0.000 1.298 98 G CA -0.678 44.374 45.100 -0.081 0.000 0.940 98 G HN 0.153 nan 8.290 nan 0.000 0.536 99 F N -0.803 119.195 119.950 0.079 0.000 2.579 99 F HA 0.921 5.447 4.527 -0.000 0.000 0.324 99 F C -0.364 175.623 175.800 0.311 0.000 1.058 99 F CA -2.092 55.988 58.000 0.133 0.000 0.944 99 F CB 2.124 41.087 39.000 -0.061 0.000 1.245 99 F HN 0.666 nan 8.300 nan 0.000 0.477 100 E N 1.792 122.356 120.200 0.607 0.000 2.145 100 E HA 0.603 4.953 4.350 -0.000 0.000 0.270 100 E C -1.662 175.137 176.600 0.332 0.000 0.906 100 E CA -0.812 55.889 56.400 0.501 0.000 0.761 100 E CB 1.894 31.768 29.700 0.290 0.000 1.116 100 E HN 0.665 nan 8.360 nan 0.000 0.408 101 V N 4.041 124.137 119.914 0.303 0.000 2.617 101 V HA 0.210 4.330 4.120 -0.000 0.000 0.298 101 V C -0.105 176.072 176.094 0.138 0.000 1.048 101 V CA -0.499 61.896 62.300 0.158 0.000 0.964 101 V CB 1.622 33.529 31.823 0.139 0.000 1.004 101 V HN 0.729 nan 8.190 nan 0.000 0.466 102 Q N 2.595 122.448 119.800 0.088 0.000 2.425 102 Q HA 0.446 4.786 4.340 -0.000 0.000 0.254 102 Q C -1.508 174.529 176.000 0.062 0.000 1.032 102 Q CA -0.378 55.474 55.803 0.081 0.000 0.798 102 Q CB 1.599 30.375 28.738 0.064 0.000 1.210 102 Q HN 0.624 nan 8.270 nan 0.000 0.491 103 V N 4.869 124.832 119.914 0.082 0.000 2.353 103 V HA 0.438 4.558 4.120 -0.000 0.000 0.264 103 V C 1.032 177.142 176.094 0.027 0.000 1.049 103 V CA 0.681 63.028 62.300 0.078 0.000 0.896 103 V CB 0.080 31.989 31.823 0.145 0.000 1.025 103 V HN 1.058 nan 8.190 nan 0.000 0.475 104 G N 7.747 116.523 108.800 -0.040 0.000 2.566 104 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.280 104 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.280 104 G C -0.761 174.075 174.900 -0.106 0.000 1.225 104 G CA 0.286 45.300 45.100 -0.142 0.000 0.966 104 G HN 0.597 nan 8.290 nan 0.000 0.560 105 P HA 0.044 nan 4.420 nan 0.000 0.230 105 P C 1.060 178.298 177.300 -0.103 0.000 1.158 105 P CA 1.605 64.645 63.100 -0.099 0.000 0.769 105 P CB 0.090 31.706 31.700 -0.140 0.000 0.807 106 M N -0.072 119.458 119.600 -0.117 0.000 2.494 106 M HA 0.395 4.875 4.480 -0.000 0.000 0.300 106 M C -0.861 175.471 176.300 0.055 0.000 1.189 106 M CA -0.433 54.831 55.300 -0.060 0.000 0.982 106 M CB 1.839 34.390 32.600 -0.082 0.000 1.534 106 M HN -0.396 nan 8.290 nan 0.000 0.488 107 K N 2.402 122.859 120.400 0.096 0.000 2.535 107 K HA 0.481 4.801 4.320 -0.000 0.000 0.253 107 K C -1.730 174.994 176.600 0.206 0.000 0.953 107 K CA -0.638 55.746 56.287 0.162 0.000 0.863 107 K CB 2.127 34.750 32.500 0.205 0.000 1.111 107 K HN 0.540 nan 8.250 nan 0.000 0.431 108 V N 4.270 124.300 119.914 0.192 0.000 2.439 108 V HA 0.363 4.483 4.120 -0.000 0.000 0.282 108 V C -0.427 175.832 176.094 0.275 0.000 1.039 108 V CA -0.765 61.658 62.300 0.206 0.000 0.913 108 V CB 0.668 32.584 31.823 0.155 0.000 0.983 108 V HN 0.534 nan 8.190 nan 0.000 0.460 109 F N 5.591 125.595 119.950 0.089 0.000 2.450 109 F HA 0.748 5.275 4.527 -0.000 0.000 0.332 109 F C -0.413 175.374 175.800 -0.022 0.000 1.093 109 F CA -1.038 56.991 58.000 0.048 0.000 1.003 109 F CB 1.756 40.768 39.000 0.020 0.000 1.151 109 F HN 0.233 nan 8.300 nan 0.000 0.474 110 V N 4.831 124.209 119.914 -0.892 0.000 2.378 110 V HA 0.285 4.405 4.120 -0.000 0.000 0.288 110 V C -0.099 175.142 176.094 -1.420 0.000 1.016 110 V CA -0.718 60.978 62.300 -1.005 0.000 0.840 110 V CB 1.435 32.763 31.823 -0.826 0.000 0.994 110 V HN 0.872 nan 8.190 nan 0.000 0.431 111 T N 4.691 118.630 114.554 -1.025 0.000 2.870 111 T HA 0.072 4.421 4.350 -0.000 0.000 0.300 111 T C 1.253 175.662 174.700 -0.485 0.000 0.989 111 T CA -0.080 61.625 62.100 -0.658 0.000 1.139 111 T CB 1.004 69.687 68.868 -0.309 0.000 0.920 111 T HN 0.854 nan 8.240 nan 0.000 0.537 112 K N 2.763 122.924 120.400 -0.398 0.000 2.052 112 K HA -0.253 4.067 4.320 -0.000 0.000 0.215 112 K C 1.532 177.942 176.600 -0.317 0.000 1.053 112 K CA 1.984 58.057 56.287 -0.358 0.000 0.934 112 K CB -0.334 31.932 32.500 -0.390 0.000 0.717 112 K HN 0.646 nan 8.250 nan 0.000 0.450 113 H N -0.726 118.279 119.070 -0.109 0.000 2.556 113 H HA 0.062 4.618 4.556 -0.000 0.000 0.268 113 H C 0.941 176.212 175.328 -0.095 0.000 0.996 113 H CA 0.721 56.723 56.048 -0.077 0.000 1.157 113 H CB 0.251 29.979 29.762 -0.058 0.000 1.355 113 H HN 0.167 nan 8.280 nan 0.000 0.597 114 L N -0.181 120.994 121.223 -0.079 0.000 2.640 114 L HA 0.193 4.533 4.340 -0.000 0.000 0.230 114 L C 0.729 177.534 176.870 -0.109 0.000 1.123 114 L CA 0.282 55.063 54.840 -0.099 0.000 0.900 114 L CB 0.077 42.033 42.059 -0.172 0.000 1.146 114 L HN 0.001 nan 8.230 nan 0.000 0.484 115 M N -0.114 119.412 119.600 -0.123 0.000 2.248 115 M HA 0.377 4.857 4.480 -0.000 0.000 0.215 115 M C -1.853 174.442 176.300 -0.010 0.000 1.103 115 M CA -1.637 53.611 55.300 -0.086 0.000 1.154 115 M CB -0.301 32.229 32.600 -0.116 0.000 1.218 115 M HN -0.219 nan 8.290 nan 0.000 0.623 116 P HA 0.213 nan 4.420 nan 0.000 0.338 116 P C -0.660 176.674 177.300 0.057 0.000 1.308 116 P CA 0.052 63.174 63.100 0.036 0.000 0.753 116 P CB 0.699 32.422 31.700 0.039 0.000 1.579 117 Q N -0.555 119.278 119.800 0.055 0.000 2.389 117 Q HA -0.027 4.313 4.340 -0.000 0.000 0.198 117 Q C 1.730 177.770 176.000 0.066 0.000 0.967 117 Q CA 0.845 56.686 55.803 0.064 0.000 0.863 117 Q CB -0.565 28.201 28.738 0.048 0.000 0.987 117 Q HN 0.484 nan 8.270 nan 0.000 0.557 118 D N 0.856 121.287 120.400 0.052 0.000 2.397 118 D HA -0.179 4.461 4.640 -0.000 0.000 0.219 118 D C 0.145 176.485 176.300 0.067 0.000 0.975 118 D CA 0.549 54.578 54.000 0.049 0.000 0.940 118 D CB -0.082 40.739 40.800 0.036 0.000 0.884 118 D HN 0.085 nan 8.370 nan 0.000 0.505 119 L N 1.719 122.998 121.223 0.093 0.000 2.257 119 L HA 0.300 4.640 4.340 -0.000 0.000 0.290 119 L C 0.275 177.242 176.870 0.162 0.000 1.044 119 L CA -0.362 54.562 54.840 0.141 0.000 0.810 119 L CB 1.299 43.464 42.059 0.176 0.000 1.193 119 L HN 0.041 nan 8.230 nan 0.000 0.425 120 T N 1.618 116.250 114.554 0.130 0.000 2.889 120 T HA 0.590 4.940 4.350 -0.000 0.000 0.278 120 T C -0.524 174.187 174.700 0.018 0.000 0.995 120 T CA -0.561 61.587 62.100 0.080 0.000 0.966 120 T CB 1.160 70.036 68.868 0.012 0.000 1.237 120 T HN 0.356 nan 8.240 nan 0.000 0.591 121 F N 2.098 121.861 119.950 -0.311 0.000 2.445 121 F HA 0.571 5.098 4.527 -0.000 0.000 0.348 121 F C -0.704 174.864 175.800 -0.386 0.000 1.125 121 F CA -1.441 56.130 58.000 -0.714 0.000 0.983 121 F CB 1.024 39.499 39.000 -0.874 0.000 1.198 121 F HN 0.670 nan 8.300 nan 0.000 0.436 122 N N 4.764 122.910 118.700 -0.923 0.000 2.420 122 N HA 0.426 5.166 4.740 -0.000 0.000 0.249 122 N C 0.377 175.233 175.510 -1.090 0.000 1.033 122 N CA 0.394 52.967 53.050 -0.795 0.000 0.944 122 N CB 1.649 39.920 38.487 -0.360 0.000 1.113 122 N HN 0.747 nan 8.380 nan 0.000 0.502 123 A N 2.978 125.170 122.820 -1.046 0.000 1.935 123 A HA 0.146 4.466 4.320 -0.000 0.000 0.214 123 A C 1.610 179.046 177.584 -0.245 0.000 1.178 123 A CA 1.012 52.677 52.037 -0.621 0.000 0.640 123 A CB -0.740 18.076 19.000 -0.307 0.000 0.825 123 A HN 0.654 nan 8.150 nan 0.000 0.447 124 G N 0.774 109.444 108.800 -0.217 0.000 3.186 124 G HA2 0.283 4.243 3.960 -0.000 0.000 0.214 124 G HA3 0.283 4.243 3.960 -0.000 0.000 0.214 124 G C 0.561 175.405 174.900 -0.094 0.000 1.222 124 G CA 0.619 45.649 45.100 -0.117 0.000 0.921 124 G HN 0.648 nan 8.290 nan 0.000 0.504 125 S N -0.934 114.703 115.700 -0.105 0.000 2.654 125 S HA 0.567 5.036 4.470 -0.000 0.000 0.283 125 S C -0.432 174.159 174.600 -0.015 0.000 1.180 125 S CA -0.998 57.167 58.200 -0.059 0.000 1.021 125 S CB 2.207 65.368 63.200 -0.065 0.000 1.018 125 S HN 0.196 nan 8.310 nan 0.000 0.532 126 N N 1.633 120.333 118.700 0.001 0.000 2.599 126 N HA 0.313 5.053 4.740 -0.000 0.000 0.283 126 N C -2.780 172.742 175.510 0.020 0.000 1.160 126 N CA -0.878 52.181 53.050 0.016 0.000 0.869 126 N CB 1.278 39.771 38.487 0.010 0.000 1.448 126 N HN 0.675 nan 8.380 nan 0.000 0.535 127 P HA 0.324 nan 4.420 nan 0.000 0.272 127 P C -2.870 174.472 177.300 0.069 0.000 1.223 127 P CA -0.904 62.226 63.100 0.051 0.000 0.784 127 P CB 0.074 31.806 31.700 0.054 0.000 0.923 128 P HA 0.008 nan 4.420 nan 0.000 0.264 128 P C -0.030 177.397 177.300 0.211 0.000 1.179 128 P CA 0.632 63.826 63.100 0.156 0.000 0.763 128 P CB 0.294 32.135 31.700 0.236 0.000 0.806 129 S N 1.391 117.216 115.700 0.208 0.000 2.752 129 S HA 0.637 5.107 4.470 -0.000 0.000 0.284 129 S C -1.849 172.944 174.600 0.322 0.000 1.189 129 S CA -0.647 57.730 58.200 0.294 0.000 0.835 129 S CB 0.899 64.189 63.200 0.150 0.000 1.192 129 S HN 0.212 nan 8.310 nan 0.000 0.506 130 Y N 0.872 121.296 120.300 0.207 0.000 2.329 130 Y HA 0.534 5.084 4.550 -0.000 0.000 0.328 130 Y C 0.049 176.019 175.900 0.118 0.000 0.992 130 Y CA -0.430 57.802 58.100 0.219 0.000 1.151 130 Y CB 2.012 40.650 38.460 0.298 0.000 1.150 130 Y HN 0.683 nan 8.280 nan 0.000 0.450 131 Q N 1.443 121.321 119.800 0.129 0.000 2.226 131 Q HA 0.738 5.078 4.340 -0.000 0.000 0.256 131 Q C -0.591 175.463 176.000 0.090 0.000 0.962 131 Q CA -0.698 55.155 55.803 0.084 0.000 0.887 131 Q CB 2.344 31.091 28.738 0.015 0.000 1.282 131 Q HN 0.650 nan 8.270 nan 0.000 0.449 132 S N -0.667 115.075 115.700 0.070 0.000 2.794 132 S HA 0.321 4.791 4.470 -0.000 0.000 0.299 132 S C 0.512 175.133 174.600 0.036 0.000 1.179 132 S CA -0.405 57.831 58.200 0.060 0.000 0.838 132 S CB 1.363 64.605 63.200 0.071 0.000 1.206 132 S HN 0.627 nan 8.310 nan 0.000 0.523 133 S N 1.391 117.109 115.700 0.030 0.000 2.365 133 S HA -0.180 4.290 4.470 -0.000 0.000 0.221 133 S C 1.504 176.114 174.600 0.017 0.000 1.037 133 S CA 2.116 60.328 58.200 0.019 0.000 1.060 133 S CB -0.542 62.667 63.200 0.015 0.000 0.974 133 S HN 0.820 nan 8.310 nan 0.000 0.427 134 E N -0.159 120.052 120.200 0.019 0.000 2.453 134 E HA 0.163 4.513 4.350 -0.000 0.000 0.211 134 E C -0.621 175.992 176.600 0.021 0.000 0.897 134 E CA -0.164 56.246 56.400 0.016 0.000 1.063 134 E CB 0.115 29.822 29.700 0.010 0.000 1.080 134 E HN 0.223 nan 8.360 nan 0.000 0.512 135 D N 1.500 121.918 120.400 0.030 0.000 2.304 135 D HA 0.269 4.909 4.640 -0.000 0.000 0.247 135 D C -0.721 175.608 176.300 0.050 0.000 1.089 135 D CA -0.189 53.833 54.000 0.036 0.000 0.910 135 D CB 2.575 43.401 40.800 0.044 0.000 1.199 135 D HN -0.094 nan 8.370 nan 0.000 0.426 136 V N 3.581 123.521 119.914 0.044 0.000 2.488 136 V HA 0.317 4.437 4.120 -0.000 0.000 0.293 136 V C -0.045 176.079 176.094 0.050 0.000 1.027 136 V CA -0.599 61.734 62.300 0.055 0.000 0.862 136 V CB 1.436 33.281 31.823 0.036 0.000 1.008 136 V HN 0.371 nan 8.190 nan 0.000 0.428 137 I N 4.666 125.289 120.570 0.088 0.000 2.362 137 I HA 0.717 4.887 4.170 -0.000 0.000 0.289 137 I C 0.294 176.466 176.117 0.092 0.000 0.994 137 I CA 0.196 61.520 61.300 0.039 0.000 1.158 137 I CB 2.064 40.060 38.000 -0.007 0.000 1.315 137 I HN 0.620 nan 8.210 nan 0.000 0.451 138 T N 4.192 118.762 114.554 0.026 0.000 2.612 138 T HA 0.438 4.788 4.350 -0.000 0.000 0.296 138 T C 1.295 176.006 174.700 0.018 0.000 1.148 138 T CA -0.677 61.466 62.100 0.071 0.000 1.077 138 T CB 0.871 69.784 68.868 0.076 0.000 1.591 138 T HN 0.295 nan 8.240 nan 0.000 0.479 139 I N 1.073 121.670 120.570 0.046 0.000 3.365 139 I HA -0.325 3.845 4.170 -0.000 0.000 0.169 139 I C 2.279 178.393 176.117 -0.005 0.000 0.827 139 I CA 1.554 62.872 61.300 0.029 0.000 1.122 139 I CB -0.415 37.606 38.000 0.036 0.000 0.863 139 I HN 0.515 nan 8.210 nan 0.000 0.331 140 K N 1.384 121.782 120.400 -0.003 0.000 2.442 140 K HA -0.016 4.304 4.320 -0.000 0.000 0.198 140 K C 0.804 177.384 176.600 -0.033 0.000 1.042 140 K CA 0.494 56.773 56.287 -0.014 0.000 0.958 140 K CB -0.777 31.719 32.500 -0.005 0.000 0.766 140 K HN 0.608 nan 8.250 nan 0.000 0.474 141 S N 1.552 117.223 115.700 -0.048 0.000 2.552 141 S HA 0.079 4.549 4.470 -0.000 0.000 0.289 141 S C 0.157 174.702 174.600 -0.093 0.000 1.304 141 S CA -0.417 57.743 58.200 -0.067 0.000 1.063 141 S CB 0.626 63.779 63.200 -0.078 0.000 0.848 141 S HN 0.106 nan 8.310 nan 0.000 0.499 142 R N 1.905 122.363 120.500 -0.069 0.000 2.254 142 R HA 0.578 4.918 4.340 -0.000 0.000 0.318 142 R C -0.314 175.940 176.300 -0.075 0.000 1.031 142 R CA -0.241 55.821 56.100 -0.064 0.000 0.905 142 R CB 0.522 30.800 30.300 -0.037 0.000 1.050 142 R HN 0.642 nan 8.270 nan 0.000 0.456 143 I N 1.440 121.959 120.570 -0.084 0.000 2.957 143 I HA 0.478 4.648 4.170 -0.000 0.000 0.310 143 I C -0.127 175.984 176.117 -0.011 0.000 1.063 143 I CA -1.216 60.043 61.300 -0.068 0.000 1.033 143 I CB 2.233 40.150 38.000 -0.138 0.000 1.230 143 I HN 0.407 nan 8.210 nan 0.000 0.447 144 R N 2.825 123.337 120.500 0.019 0.000 2.435 144 R HA 0.689 5.029 4.340 -0.000 0.000 0.308 144 R C -1.977 174.361 176.300 0.064 0.000 0.975 144 R CA -0.365 55.760 56.100 0.042 0.000 0.867 144 R CB 1.460 31.786 30.300 0.044 0.000 1.171 144 R HN 0.488 nan 8.270 nan 0.000 0.470 145 V N 3.648 123.607 119.914 0.075 0.000 2.769 145 V HA 0.416 4.536 4.120 -0.000 0.000 0.312 145 V C -0.335 175.805 176.094 0.076 0.000 1.058 145 V CA -0.896 61.455 62.300 0.085 0.000 0.952 145 V CB 1.919 33.804 31.823 0.104 0.000 1.019 145 V HN 0.670 nan 8.190 nan 0.000 0.445 146 K N 3.287 123.726 120.400 0.065 0.000 2.367 146 K HA 0.509 4.829 4.320 -0.000 0.000 0.263 146 K C -0.769 175.864 176.600 0.055 0.000 1.000 146 K CA -0.546 55.777 56.287 0.060 0.000 0.891 146 K CB 0.746 33.276 32.500 0.050 0.000 1.117 146 K HN 0.645 nan 8.250 nan 0.000 0.443 147 I N 5.247 125.859 120.570 0.071 0.000 2.576 147 I HA -0.062 4.108 4.170 -0.000 0.000 0.288 147 I C 1.260 177.412 176.117 0.059 0.000 1.126 147 I CA 0.100 61.442 61.300 0.070 0.000 1.362 147 I CB 0.598 38.655 38.000 0.095 0.000 1.419 147 I HN 0.687 nan 8.210 nan 0.000 0.533 148 E N 4.775 124.998 120.200 0.038 0.000 2.230 148 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 148 E C 0.907 177.528 176.600 0.035 0.000 0.987 148 E CA 0.219 56.637 56.400 0.030 0.000 0.841 148 E CB 0.528 30.235 29.700 0.011 0.000 0.783 148 E HN 0.807 nan 8.360 nan 0.000 0.481 149 G N -0.159 108.664 108.800 0.038 0.000 2.732 149 G HA2 0.395 4.355 3.960 -0.000 0.000 0.296 149 G HA3 0.395 4.355 3.960 -0.000 0.000 0.296 149 G C -1.175 173.748 174.900 0.039 0.000 1.448 149 G CA -0.574 44.549 45.100 0.037 0.000 0.911 149 G HN 0.040 nan 8.290 nan 0.000 0.528 150 C N 0.436 119.751 119.300 0.025 0.000 2.454 150 C HA 0.836 5.296 4.460 -0.000 0.000 0.336 150 C C -0.157 174.842 174.990 0.015 0.000 1.189 150 C CA -0.445 58.579 59.018 0.011 0.000 1.877 150 C CB 0.666 28.381 27.740 -0.041 0.000 2.348 150 C HN 0.604 nan 8.230 nan 0.000 0.508 151 I N 2.323 122.912 120.570 0.031 0.000 2.529 151 I HA 0.277 4.447 4.170 -0.000 0.000 0.284 151 I C 0.159 176.299 176.117 0.039 0.000 1.088 151 I CA 0.060 61.387 61.300 0.044 0.000 1.062 151 I CB 1.524 39.576 38.000 0.087 0.000 1.218 151 I HN 0.684 nan 8.210 nan 0.000 0.442 152 S N 5.362 121.065 115.700 0.005 0.000 2.584 152 S HA 0.604 5.074 4.470 -0.000 0.000 0.273 152 S C -0.518 174.094 174.600 0.020 0.000 1.311 152 S CA -0.367 57.827 58.200 -0.010 0.000 1.034 152 S CB 1.818 64.996 63.200 -0.036 0.000 0.939 152 S HN 0.745 nan 8.310 nan 0.000 0.513 153 Q N 2.582 122.390 119.800 0.014 0.000 2.364 153 Q HA 0.416 4.756 4.340 -0.000 0.000 0.257 153 Q C 0.034 176.041 176.000 0.011 0.000 0.956 153 Q CA -0.674 55.153 55.803 0.040 0.000 0.924 153 Q CB 1.426 30.239 28.738 0.125 0.000 1.413 153 Q HN 0.756 nan 8.270 nan 0.000 0.418 154 V N 1.879 121.795 119.914 0.003 0.000 0.686 154 V HA -0.460 3.660 4.120 -0.000 0.000 0.092 154 V C 0.688 176.753 176.094 -0.049 0.000 0.859 154 V CA 2.491 64.783 62.300 -0.013 0.000 3.114 154 V CB -1.851 29.975 31.823 0.005 0.000 0.237 154 V HN 1.073 nan 8.190 nan 0.000 0.175 155 S N 0.635 116.301 115.700 -0.057 0.000 2.457 155 S HA 0.693 5.163 4.470 -0.000 0.000 0.237 155 S C -0.328 174.171 174.600 -0.168 0.000 1.213 155 S CA 0.379 58.508 58.200 -0.118 0.000 1.218 155 S CB 0.638 63.789 63.200 -0.081 0.000 0.922 155 S HN 1.827 nan 8.310 nan 0.000 0.488 156 S N 0.320 115.918 115.700 -0.170 0.000 2.694 156 S HA 0.740 5.210 4.470 -0.000 0.000 0.273 156 S C -1.520 173.002 174.600 -0.131 0.000 1.180 156 S CA -1.083 57.026 58.200 -0.150 0.000 0.864 156 S CB 0.510 63.651 63.200 -0.099 0.000 1.198 156 S HN 0.373 nan 8.310 nan 0.000 0.499 157 I N 1.873 122.353 120.570 -0.150 0.000 2.637 157 I HA 0.356 4.526 4.170 -0.000 0.000 0.285 157 I C -1.020 174.904 176.117 -0.321 0.000 1.222 157 I CA -0.455 60.753 61.300 -0.154 0.000 1.067 157 I CB 1.712 39.740 38.000 0.047 0.000 1.279 157 I HN 0.686 nan 8.210 nan 0.000 0.441 158 H N 4.279 123.395 119.070 0.077 0.000 2.649 158 H HA 0.926 5.482 4.556 -0.000 0.000 0.337 158 H C -0.283 175.084 175.328 0.066 0.000 1.282 158 H CA -1.046 55.050 56.048 0.080 0.000 1.333 158 H CB 2.312 32.121 29.762 0.079 0.000 1.787 158 H HN 0.675 nan 8.280 nan 0.000 0.632 159 A N 0.610 123.564 122.820 0.223 0.000 2.581 159 A HA 0.393 4.713 4.320 -0.000 0.000 0.294 159 A C -1.345 176.321 177.584 0.137 0.000 1.035 159 A CA -0.705 51.416 52.037 0.140 0.000 0.684 159 A CB 0.627 19.677 19.000 0.082 0.000 1.282 159 A HN 0.495 nan 8.150 nan 0.000 0.417 160 I N 1.168 121.789 120.570 0.085 0.000 2.428 160 I HA 0.650 4.820 4.170 -0.000 0.000 0.296 160 I C 0.817 176.933 176.117 -0.001 0.000 0.985 160 I CA -0.401 60.912 61.300 0.021 0.000 1.260 160 I CB 1.948 39.943 38.000 -0.009 0.000 1.389 160 I HN 0.836 nan 8.210 nan 0.000 0.484 161 G N 2.866 111.639 108.800 -0.045 0.000 2.612 161 G HA2 0.622 4.582 3.960 -0.000 0.000 0.298 161 G HA3 0.622 4.582 3.960 -0.000 0.000 0.298 161 G C -1.087 173.773 174.900 -0.067 0.000 1.336 161 G CA -0.487 44.602 45.100 -0.019 0.000 0.953 161 G HN 0.652 nan 8.290 nan 0.000 0.482 162 S N -0.806 114.875 115.700 -0.032 0.000 2.664 162 S HA 0.690 5.160 4.470 -0.000 0.000 0.304 162 S C 0.425 175.026 174.600 0.002 0.000 1.099 162 S CA -0.772 57.401 58.200 -0.044 0.000 1.003 162 S CB 1.629 64.811 63.200 -0.031 0.000 1.092 162 S HN 1.144 nan 8.310 nan 0.000 0.525 163 I N -2.458 118.113 120.570 0.001 0.000 3.621 163 I HA 0.472 4.642 4.170 -0.000 0.000 0.325 163 I C 0.714 176.846 176.117 0.026 0.000 1.554 163 I CA -0.456 60.869 61.300 0.041 0.000 1.053 163 I CB 0.160 38.217 38.000 0.095 0.000 1.302 163 I HN 0.614 nan 8.210 nan 0.000 0.518 164 K N 1.263 121.669 120.400 0.010 0.000 2.374 164 K HA 0.217 4.537 4.320 -0.000 0.000 0.196 164 K C 0.465 177.072 176.600 0.012 0.000 1.023 164 K CA 0.060 56.352 56.287 0.008 0.000 1.103 164 K CB 0.602 33.102 32.500 -0.000 0.000 0.848 164 K HN 0.344 nan 8.250 nan 0.000 0.528 165 E N 0.726 120.940 120.200 0.022 0.000 2.700 165 E HA 0.120 4.470 4.350 -0.000 0.000 0.253 165 E C -0.587 176.027 176.600 0.023 0.000 1.175 165 E CA -0.278 56.141 56.400 0.032 0.000 1.010 165 E CB 0.494 30.227 29.700 0.053 0.000 1.284 165 E HN 0.111 nan 8.360 nan 0.000 0.557 166 D N -1.365 119.059 120.400 0.040 0.000 2.388 166 D HA 0.202 4.842 4.640 -0.000 0.000 0.254 166 D C -0.519 175.826 176.300 0.076 0.000 1.111 166 D CA -0.180 53.790 54.000 -0.050 0.000 0.993 166 D CB 0.180 40.900 40.800 -0.135 0.000 1.118 166 D HN 0.382 nan 8.370 nan 0.000 0.502 167 Y N -1.656 118.651 120.300 0.012 0.000 4.469 167 Y HA -0.248 4.302 4.550 -0.000 0.000 0.220 167 Y C -0.311 175.598 175.900 0.014 0.000 1.078 167 Y CA 0.099 58.206 58.100 0.010 0.000 1.881 167 Y CB -1.617 36.848 38.460 0.007 0.000 1.608 167 Y HN 0.193 nan 8.280 nan 0.000 0.634 168 L N -0.562 120.716 121.223 0.092 0.000 2.346 168 L HA 0.842 5.182 4.340 -0.000 0.000 0.274 168 L C 0.738 177.635 176.870 0.045 0.000 1.007 168 L CA 0.044 54.929 54.840 0.074 0.000 0.818 168 L CB 2.060 44.161 42.059 0.069 0.000 1.284 168 L HN 0.294 nan 8.230 nan 0.000 0.424 169 G N 1.197 110.026 108.800 0.049 0.000 2.334 169 G HA2 0.312 4.272 3.960 -0.000 0.000 0.249 169 G HA3 0.312 4.272 3.960 -0.000 0.000 0.249 169 G C -1.286 173.626 174.900 0.020 0.000 1.327 169 G CA -0.121 45.003 45.100 0.039 0.000 0.979 169 G HN 0.823 nan 8.290 nan 0.000 0.471 170 A N -0.749 122.074 122.820 0.005 0.000 2.267 170 A HA 0.864 5.184 4.320 -0.000 0.000 0.271 170 A C 0.443 178.026 177.584 -0.001 0.000 1.131 170 A CA 0.563 52.591 52.037 -0.015 0.000 0.818 170 A CB -0.089 18.898 19.000 -0.020 0.000 1.118 170 A HN 1.456 nan 8.150 nan 0.000 0.501 171 I N 0.000 120.566 120.570 -0.007 0.000 2.984 171 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 171 I CA 0.000 61.301 61.300 0.001 0.000 1.566 171 I CB 0.000 38.001 38.000 0.002 0.000 1.214 171 I HN 0.000 nan 8.210 nan 0.000 0.494