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 3ah1_1_A DATA FIRST_RESID 4 DATA SEQUENCE TNANDLRNNE VFFISPSNNT NKVLDKISQS EVKLWNKLSG ANQKWRLIYD DATA SEQUENCE TNKQAYKIKV MDNTSLILTW NAPLSSVSVK TDTNGDNQYW YLLQNYISRN DATA SEQUENCE VIIRNYMNPN LVLQYNIDDT LMVSTQTSSS NQFFKFSNCI YEALNNRNCK DATA SEQUENCE LQTQLNSDRF LSKNLNSQII VLWQWFDSSR QKWIIEYNET KSAYTLKCQE DATA SEQUENCE NNRYLTWIQN SNNYVETYQS TDSLIQYWNI NYLDNDASKY ILYNLQDTNR DATA SEQUENCE VLDVYNSQIA NGTHVIVDSY HGNTNQQWII NLI 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.683 174.700 -0.028 0.000 1.109 4 T CA 0.000 62.100 62.100 0.001 0.000 1.349 4 T CB 0.000 68.838 68.868 -0.051 0.000 0.612 5 N N 1.324 120.032 118.700 0.013 0.000 2.230 5 N HA 0.287 5.026 4.740 -0.002 0.000 0.202 5 N C 1.601 177.064 175.510 -0.078 0.000 1.119 5 N CA 0.595 53.656 53.050 0.019 0.000 0.851 5 N CB 0.013 38.554 38.487 0.091 0.000 0.990 5 N HN 0.625 nan 8.380 nan 0.000 0.497 6 A N 1.108 123.691 122.820 -0.395 0.000 2.019 6 A HA -0.084 4.234 4.320 -0.002 0.000 0.219 6 A C 1.542 178.871 177.584 -0.425 0.000 1.164 6 A CA 1.000 52.502 52.037 -0.892 0.000 0.644 6 A CB -0.341 17.369 19.000 -2.149 0.000 0.805 6 A HN 0.335 nan 8.150 nan 0.000 0.449 7 N N 0.676 119.259 118.700 -0.196 0.000 2.235 7 N HA 0.051 4.790 4.740 -0.002 0.000 0.209 7 N C -0.855 174.776 175.510 0.203 0.000 1.122 7 N CA -0.001 53.117 53.050 0.114 0.000 0.845 7 N CB 0.102 38.662 38.487 0.122 0.000 1.004 7 N HN 0.376 nan 8.380 nan 0.000 0.499 8 D N 0.456 120.914 120.400 0.097 0.000 2.368 8 D HA 0.069 4.708 4.640 -0.002 0.000 0.240 8 D C 0.940 177.299 176.300 0.098 0.000 1.169 8 D CA -0.008 54.025 54.000 0.055 0.000 0.906 8 D CB 1.277 42.105 40.800 0.048 0.000 1.187 8 D HN 0.022 nan 8.370 nan 0.000 0.435 9 L N 1.965 123.141 121.223 -0.078 0.000 2.650 9 L HA 0.136 4.475 4.340 -0.002 0.000 0.239 9 L C 0.860 177.768 176.870 0.063 0.000 1.412 9 L CA 0.006 54.730 54.840 -0.193 0.000 1.219 9 L CB -0.623 41.170 42.059 -0.442 0.000 1.534 9 L HN -0.006 nan 8.230 nan 0.000 0.430 10 R N 0.374 120.999 120.500 0.207 0.000 2.594 10 R HA 0.087 4.426 4.340 -0.002 0.000 0.272 10 R C 0.415 176.865 176.300 0.251 0.000 1.074 10 R CA -0.615 55.592 56.100 0.179 0.000 1.105 10 R CB 0.410 30.803 30.300 0.154 0.000 1.008 10 R HN 0.186 nan 8.270 nan 0.000 0.472 11 N N 1.390 120.197 118.700 0.178 0.000 2.441 11 N HA -0.104 4.635 4.740 -0.002 0.000 0.251 11 N C 0.380 175.995 175.510 0.175 0.000 1.242 11 N CA 0.626 53.804 53.050 0.214 0.000 0.898 11 N CB 0.381 38.940 38.487 0.120 0.000 1.100 11 N HN 0.633 nan 8.380 nan 0.000 0.443 12 N N -0.454 118.365 118.700 0.198 0.000 2.900 12 N HA -0.209 4.530 4.740 -0.002 0.000 0.240 12 N C -1.178 174.416 175.510 0.139 0.000 0.953 12 N CA 1.165 54.300 53.050 0.141 0.000 0.950 12 N CB -0.678 37.839 38.487 0.050 0.000 1.102 12 N HN 0.630 nan 8.380 nan 0.000 0.593 13 E N -0.205 120.106 120.200 0.185 0.000 2.314 13 E HA 0.457 4.805 4.350 -0.002 0.000 0.262 13 E C -0.078 176.518 176.600 -0.006 0.000 1.093 13 E CA -0.515 55.903 56.400 0.030 0.000 0.908 13 E CB 1.449 31.131 29.700 -0.031 0.000 1.091 13 E HN 0.060 nan 8.360 nan 0.000 0.425 14 V N 2.540 122.261 119.914 -0.321 0.000 2.540 14 V HA 0.457 4.575 4.120 -0.002 0.000 0.302 14 V C -0.789 175.039 176.094 -0.443 0.000 1.035 14 V CA -0.623 61.598 62.300 -0.132 0.000 0.873 14 V CB 0.768 32.653 31.823 0.103 0.000 0.992 14 V HN 0.447 nan 8.190 nan 0.000 0.428 15 F N 2.878 122.865 119.950 0.063 0.000 2.588 15 F HA 0.676 5.201 4.527 -0.003 0.000 0.314 15 F C -0.425 175.336 175.800 -0.064 0.000 1.069 15 F CA -0.813 57.198 58.000 0.018 0.000 0.931 15 F CB 1.720 40.814 39.000 0.156 0.000 1.260 15 F HN 0.267 nan 8.300 nan 0.000 0.465 16 F N 2.744 122.878 119.950 0.305 0.000 2.427 16 F HA 0.467 4.993 4.527 -0.002 0.000 0.352 16 F C 0.162 175.970 175.800 0.013 0.000 1.100 16 F CA -0.705 57.411 58.000 0.194 0.000 1.191 16 F CB 0.570 39.659 39.000 0.149 0.000 1.128 16 F HN 0.124 nan 8.300 nan 0.000 0.533 17 I N 2.852 123.432 120.570 0.017 0.000 2.354 17 I HA 0.277 4.446 4.170 -0.002 0.000 0.286 17 I C -0.289 175.747 176.117 -0.135 0.000 1.007 17 I CA -0.054 61.000 61.300 -0.410 0.000 1.167 17 I CB 1.085 38.572 38.000 -0.856 0.000 1.320 17 I HN 0.475 nan 8.210 nan 0.000 0.458 18 S N 7.491 123.170 115.700 -0.035 0.000 2.578 18 S HA 0.564 5.033 4.470 -0.002 0.000 0.301 18 S C -2.493 172.098 174.600 -0.014 0.000 1.091 18 S CA -1.287 56.912 58.200 -0.003 0.000 1.032 18 S CB 1.844 65.042 63.200 -0.004 0.000 1.064 18 S HN 0.369 nan 8.310 nan 0.000 0.508 19 P HA 0.122 nan 4.420 nan 0.000 0.271 19 P C 0.498 177.608 177.300 -0.317 0.000 1.218 19 P CA -0.188 62.464 63.100 -0.746 0.000 0.780 19 P CB 0.628 31.428 31.700 -1.500 0.000 0.901 20 S N 1.628 117.237 115.700 -0.151 0.000 2.469 20 S HA -0.177 4.292 4.470 -0.002 0.000 0.238 20 S C 1.307 175.903 174.600 -0.007 0.000 0.998 20 S CA 1.073 59.272 58.200 -0.003 0.000 0.957 20 S CB -1.123 62.131 63.200 0.090 0.000 0.764 20 S HN 0.596 nan 8.310 nan 0.000 0.514 21 N N 1.705 120.395 118.700 -0.017 0.000 2.467 21 N HA 0.029 4.768 4.740 -0.002 0.000 0.184 21 N C -0.165 175.319 175.510 -0.043 0.000 1.106 21 N CA 0.233 53.285 53.050 0.005 0.000 0.892 21 N CB -0.454 38.080 38.487 0.078 0.000 0.969 21 N HN 0.412 nan 8.380 nan 0.000 0.454 22 N N -0.766 117.880 118.700 -0.090 0.000 2.976 22 N HA -0.006 4.732 4.740 -0.002 0.000 0.249 22 N C -0.432 175.028 175.510 -0.084 0.000 1.258 22 N CA -0.110 52.890 53.050 -0.084 0.000 0.864 22 N CB 1.009 39.436 38.487 -0.101 0.000 1.551 22 N HN -0.013 nan 8.380 nan 0.000 0.607 23 T N 0.956 115.480 114.554 -0.050 0.000 3.007 23 T HA 0.046 4.395 4.350 -0.002 0.000 0.270 23 T C 0.766 175.432 174.700 -0.058 0.000 1.107 23 T CA 1.179 63.259 62.100 -0.034 0.000 1.118 23 T CB -0.040 68.826 68.868 -0.003 0.000 0.889 23 T HN 0.444 nan 8.240 nan 0.000 0.506 24 N N 0.932 119.590 118.700 -0.070 0.000 2.336 24 N HA 0.109 4.848 4.740 -0.002 0.000 0.189 24 N C 0.088 175.542 175.510 -0.093 0.000 1.113 24 N CA 0.265 53.264 53.050 -0.085 0.000 0.858 24 N CB 0.437 38.879 38.487 -0.074 0.000 0.970 24 N HN 0.465 nan 8.380 nan 0.000 0.471 25 K N 1.091 121.437 120.400 -0.090 0.000 2.221 25 K HA 0.482 4.800 4.320 -0.002 0.000 0.258 25 K C -0.532 176.043 176.600 -0.041 0.000 0.944 25 K CA -0.640 55.602 56.287 -0.074 0.000 0.823 25 K CB 2.767 35.204 32.500 -0.105 0.000 1.113 25 K HN -0.171 nan 8.250 nan 0.000 0.431 26 V N 0.158 120.091 119.914 0.031 0.000 3.078 26 V HA 0.455 4.574 4.120 -0.002 0.000 0.311 26 V C -0.834 175.352 176.094 0.154 0.000 1.138 26 V CA -1.389 60.962 62.300 0.084 0.000 1.007 26 V CB 1.613 33.508 31.823 0.121 0.000 1.045 26 V HN 0.631 nan 8.190 nan 0.000 0.432 27 L N 2.924 124.211 121.223 0.107 0.000 2.513 27 L HA 0.535 4.874 4.340 -0.002 0.000 0.272 27 L C -0.319 176.785 176.870 0.389 0.000 1.187 27 L CA 1.242 56.123 54.840 0.069 0.000 0.895 27 L CB -0.064 41.771 42.059 -0.374 0.000 1.147 27 L HN 1.018 nan 8.230 nan 0.000 0.483 28 D N 4.481 125.089 120.400 0.347 0.000 2.788 28 D HA 0.150 4.788 4.640 -0.002 0.000 0.247 28 D C -0.980 175.488 176.300 0.280 0.000 1.236 28 D CA -0.552 53.644 54.000 0.326 0.000 0.898 28 D CB 1.280 42.191 40.800 0.185 0.000 1.401 28 D HN 0.535 nan 8.370 nan 0.000 0.549 29 K N 5.388 125.953 120.400 0.275 0.000 2.294 29 K HA 0.147 4.466 4.320 -0.002 0.000 0.288 29 K C 0.809 177.403 176.600 -0.010 0.000 1.072 29 K CA -0.181 56.188 56.287 0.138 0.000 0.960 29 K CB 0.321 32.823 32.500 0.004 0.000 1.043 29 K HN 0.534 nan 8.250 nan 0.000 0.455 30 I N 1.895 122.447 120.570 -0.029 0.000 2.429 30 I HA -0.153 4.016 4.170 -0.002 0.000 0.247 30 I C 1.093 177.152 176.117 -0.096 0.000 1.099 30 I CA 0.574 61.796 61.300 -0.129 0.000 1.422 30 I CB 0.130 38.037 38.000 -0.155 0.000 1.112 30 I HN 0.637 nan 8.210 nan 0.000 0.430 31 S N -0.978 114.696 115.700 -0.044 0.000 2.823 31 S HA 0.261 4.730 4.470 -0.002 0.000 0.316 31 S C 0.487 175.077 174.600 -0.018 0.000 1.116 31 S CA -0.732 57.447 58.200 -0.035 0.000 0.911 31 S CB 1.195 64.383 63.200 -0.020 0.000 1.276 31 S HN 0.037 nan 8.310 nan 0.000 0.565 32 Q N 0.535 120.326 119.800 -0.015 0.000 2.508 32 Q HA 0.018 4.357 4.340 -0.002 0.000 0.214 32 Q C 1.593 177.601 176.000 0.014 0.000 0.979 32 Q CA 1.407 57.206 55.803 -0.007 0.000 0.911 32 Q CB -0.248 28.484 28.738 -0.010 0.000 0.969 32 Q HN 0.853 nan 8.270 nan 0.000 0.504 33 S N -2.126 113.589 115.700 0.024 0.000 3.019 33 S HA 0.122 4.590 4.470 -0.002 0.000 0.258 33 S C 0.475 175.112 174.600 0.063 0.000 1.082 33 S CA -0.456 57.771 58.200 0.044 0.000 0.836 33 S CB 0.582 63.803 63.200 0.035 0.000 0.834 33 S HN -0.015 nan 8.310 nan 0.000 0.457 34 E N 2.800 123.030 120.200 0.050 0.000 2.313 34 E HA 0.515 4.863 4.350 -0.002 0.000 0.276 34 E C -0.250 176.397 176.600 0.078 0.000 1.031 34 E CA -0.285 56.151 56.400 0.061 0.000 0.857 34 E CB 1.851 31.576 29.700 0.043 0.000 1.040 34 E HN 0.515 nan 8.360 nan 0.000 0.408 35 V N -0.351 119.621 119.914 0.096 0.000 2.769 35 V HA 0.817 4.936 4.120 -0.002 0.000 0.312 35 V C -0.403 175.753 176.094 0.103 0.000 1.061 35 V CA -0.942 61.426 62.300 0.114 0.000 0.931 35 V CB 1.841 33.728 31.823 0.106 0.000 1.010 35 V HN 0.745 nan 8.190 nan 0.000 0.433 36 K N 3.261 123.739 120.400 0.130 0.000 2.578 36 K HA 0.633 4.951 4.320 -0.002 0.000 0.287 36 K C -1.422 175.299 176.600 0.202 0.000 1.010 36 K CA -1.129 55.254 56.287 0.160 0.000 0.889 36 K CB 1.993 34.611 32.500 0.197 0.000 1.514 36 K HN 0.621 nan 8.250 nan 0.000 0.424 37 L N 1.407 122.739 121.223 0.183 0.000 2.453 37 L HA 0.284 4.623 4.340 -0.002 0.000 0.272 37 L C -0.372 176.662 176.870 0.273 0.000 1.182 37 L CA -0.024 54.915 54.840 0.165 0.000 0.858 37 L CB 0.234 42.330 42.059 0.061 0.000 1.120 37 L HN 0.514 nan 8.230 nan 0.000 0.474 38 W N 3.232 124.540 121.300 0.014 0.000 3.213 38 W HA 0.181 4.842 4.660 0.001 0.000 0.318 38 W C -0.611 175.902 176.519 -0.010 0.000 1.248 38 W CA -0.959 56.394 57.345 0.012 0.000 1.187 38 W CB 1.784 31.265 29.460 0.034 0.000 1.403 38 W HN 0.440 nan 8.180 nan 0.000 0.556 39 N N 3.509 122.048 118.700 -0.270 0.000 2.292 39 N HA -0.123 4.616 4.740 -0.002 0.000 0.258 39 N C -0.174 175.396 175.510 0.100 0.000 1.261 39 N CA 0.951 53.929 53.050 -0.121 0.000 0.845 39 N CB 0.617 38.969 38.487 -0.225 0.000 1.064 39 N HN 0.269 nan 8.380 nan 0.000 0.471 40 K N 3.910 124.307 120.400 -0.006 0.000 2.402 40 K HA 0.063 4.382 4.320 -0.002 0.000 0.285 40 K C 0.124 176.710 176.600 -0.024 0.000 1.054 40 K CA 0.231 56.481 56.287 -0.062 0.000 1.001 40 K CB 0.170 32.535 32.500 -0.224 0.000 0.946 40 K HN 0.632 nan 8.250 nan 0.000 0.473 41 L N 2.825 124.066 121.223 0.031 0.000 3.086 41 L HA 0.076 4.415 4.340 -0.002 0.000 0.274 41 L C 0.388 177.290 176.870 0.054 0.000 1.184 41 L CA -0.353 54.517 54.840 0.050 0.000 1.002 41 L CB 0.601 42.721 42.059 0.102 0.000 1.383 41 L HN 0.819 nan 8.230 nan 0.000 0.582 42 S N 1.466 117.213 115.700 0.078 0.000 3.447 42 S HA -0.150 4.319 4.470 -0.002 0.000 0.371 42 S C 0.632 175.308 174.600 0.125 0.000 0.951 42 S CA 0.400 58.728 58.200 0.213 0.000 1.269 42 S CB -1.209 62.154 63.200 0.273 0.000 0.919 42 S HN 0.578 nan 8.310 nan 0.000 0.516 43 G N 0.579 109.423 108.800 0.074 0.000 2.547 43 G HA2 0.663 4.622 3.960 -0.002 0.000 0.291 43 G HA3 0.663 4.622 3.960 -0.002 0.000 0.291 43 G C 1.038 175.913 174.900 -0.043 0.000 1.211 43 G CA -0.169 44.929 45.100 -0.003 0.000 0.950 43 G HN 1.140 nan 8.290 nan 0.000 0.504 44 A N 0.234 122.978 122.820 -0.128 0.000 2.125 44 A HA -0.090 4.229 4.320 -0.002 0.000 0.219 44 A C 2.107 179.533 177.584 -0.263 0.000 1.156 44 A CA 1.668 53.574 52.037 -0.220 0.000 0.671 44 A CB -0.473 18.382 19.000 -0.242 0.000 0.794 44 A HN 0.721 nan 8.150 nan 0.000 0.459 45 N N -0.140 118.443 118.700 -0.194 0.000 2.453 45 N HA -0.165 4.573 4.740 -0.002 0.000 0.183 45 N C 1.079 176.486 175.510 -0.172 0.000 1.041 45 N CA 1.222 54.143 53.050 -0.214 0.000 0.900 45 N CB -0.394 38.013 38.487 -0.133 0.000 0.961 45 N HN 0.675 nan 8.380 nan 0.000 0.443 46 Q N -0.521 119.252 119.800 -0.045 0.000 2.219 46 Q HA 0.245 4.583 4.340 -0.002 0.000 0.209 46 Q C -0.435 175.693 176.000 0.213 0.000 0.854 46 Q CA -0.026 55.910 55.803 0.222 0.000 0.960 46 Q CB 0.758 29.698 28.738 0.337 0.000 1.116 46 Q HN 0.298 nan 8.270 nan 0.000 0.500 47 K N 0.283 120.537 120.400 -0.244 0.000 2.244 47 K HA 0.364 4.682 4.320 -0.002 0.000 0.260 47 K C -1.475 174.805 176.600 -0.533 0.000 0.951 47 K CA -0.406 55.714 56.287 -0.278 0.000 0.826 47 K CB 1.319 33.638 32.500 -0.303 0.000 1.108 47 K HN -0.074 nan 8.250 nan 0.000 0.433 48 W N 2.275 123.567 121.300 -0.014 0.000 2.683 48 W HA 0.396 5.054 4.660 -0.004 0.000 0.329 48 W C -0.054 176.546 176.519 0.135 0.000 1.037 48 W CA -0.715 56.656 57.345 0.043 0.000 1.232 48 W CB 1.295 30.764 29.460 0.014 0.000 1.390 48 W HN 0.291 nan 8.180 nan 0.000 0.465 49 R N 3.435 124.107 120.500 0.287 0.000 2.312 49 R HA 0.544 4.883 4.340 -0.002 0.000 0.311 49 R C -0.587 175.915 176.300 0.336 0.000 1.004 49 R CA -0.561 55.708 56.100 0.281 0.000 0.902 49 R CB 0.751 31.155 30.300 0.174 0.000 1.073 49 R HN 0.613 nan 8.270 nan 0.000 0.457 50 L N 6.351 127.809 121.223 0.391 0.000 2.305 50 L HA 0.372 4.711 4.340 -0.002 0.000 0.281 50 L C -0.162 176.943 176.870 0.392 0.000 1.085 50 L CA -0.347 54.733 54.840 0.399 0.000 0.813 50 L CB 1.110 43.401 42.059 0.388 0.000 1.157 50 L HN 0.575 nan 8.230 nan 0.000 0.436 51 I N 3.608 124.415 120.570 0.394 0.000 2.448 51 I HA 0.207 4.376 4.170 -0.002 0.000 0.281 51 I C -0.603 175.703 176.117 0.316 0.000 1.027 51 I CA -0.595 60.883 61.300 0.296 0.000 1.111 51 I CB 1.272 39.381 38.000 0.182 0.000 1.236 51 I HN 0.411 nan 8.210 nan 0.000 0.452 52 Y N 5.577 125.930 120.300 0.088 0.000 2.314 52 Y HA 0.290 4.840 4.550 -0.001 0.000 0.334 52 Y C 0.011 175.860 175.900 -0.085 0.000 1.266 52 Y CA -0.038 57.948 58.100 -0.190 0.000 1.391 52 Y CB 0.874 39.138 38.460 -0.327 0.000 1.306 52 Y HN 0.460 nan 8.280 nan 0.000 0.558 53 D N 2.765 122.726 120.400 -0.732 0.000 2.421 53 D HA 0.163 4.802 4.640 -0.002 0.000 0.254 53 D C 0.110 175.869 176.300 -0.901 0.000 1.238 53 D CA -0.180 53.484 54.000 -0.560 0.000 0.919 53 D CB 1.456 42.037 40.800 -0.366 0.000 1.152 53 D HN 0.737 nan 8.370 nan 0.000 0.552 54 T N 2.518 116.734 114.554 -0.563 0.000 2.759 54 T HA -0.175 4.174 4.350 -0.002 0.000 0.269 54 T C 1.622 176.167 174.700 -0.260 0.000 1.042 54 T CA 1.496 63.396 62.100 -0.334 0.000 1.140 54 T CB -0.105 68.749 68.868 -0.023 0.000 0.864 54 T HN 0.481 nan 8.240 nan 0.000 0.455 55 N N 0.829 119.383 118.700 -0.244 0.000 2.104 55 N HA -0.108 4.631 4.740 -0.002 0.000 0.190 55 N C 1.655 177.040 175.510 -0.208 0.000 1.024 55 N CA 1.374 54.313 53.050 -0.185 0.000 0.853 55 N CB -0.023 38.357 38.487 -0.180 0.000 1.008 55 N HN 0.329 nan 8.380 nan 0.000 0.424 56 K N -0.297 119.872 120.400 -0.385 0.000 2.361 56 K HA 0.111 4.430 4.320 -0.002 0.000 0.196 56 K C -0.025 176.433 176.600 -0.237 0.000 1.039 56 K CA 0.233 56.260 56.287 -0.435 0.000 1.001 56 K CB 0.271 32.104 32.500 -1.111 0.000 0.795 56 K HN 0.223 nan 8.250 nan 0.000 0.495 57 Q N -0.941 118.656 119.800 -0.338 0.000 2.481 57 Q HA -0.217 4.122 4.340 -0.002 0.000 0.272 57 Q C -0.711 175.240 176.000 -0.081 0.000 1.157 57 Q CA 0.380 56.091 55.803 -0.155 0.000 0.935 57 Q CB -1.543 27.320 28.738 0.209 0.000 1.338 57 Q HN 0.415 nan 8.270 nan 0.000 0.494 58 A N -0.493 122.058 122.820 -0.449 0.000 2.485 58 A HA 0.856 5.175 4.320 -0.002 0.000 0.292 58 A C -1.362 176.156 177.584 -0.110 0.000 1.147 58 A CA -0.603 51.321 52.037 -0.189 0.000 0.750 58 A CB 1.190 19.939 19.000 -0.418 0.000 1.331 58 A HN 0.212 nan 8.150 nan 0.000 0.419 59 Y N 0.242 120.679 120.300 0.229 0.000 2.509 59 Y HA 0.530 5.079 4.550 -0.003 0.000 0.341 59 Y C 0.313 176.321 175.900 0.180 0.000 1.038 59 Y CA -0.673 57.585 58.100 0.264 0.000 1.089 59 Y CB 1.987 40.620 38.460 0.288 0.000 1.241 59 Y HN 0.562 nan 8.280 nan 0.000 0.468 60 K N 2.427 122.964 120.400 0.228 0.000 2.143 60 K HA 0.558 4.877 4.320 -0.002 0.000 0.272 60 K C -1.195 175.555 176.600 0.250 0.000 1.001 60 K CA -0.350 55.991 56.287 0.090 0.000 0.915 60 K CB 1.134 33.594 32.500 -0.068 0.000 1.047 60 K HN 0.484 nan 8.250 nan 0.000 0.458 61 I N 2.986 123.701 120.570 0.241 0.000 2.354 61 I HA 0.237 4.406 4.170 -0.002 0.000 0.286 61 I C -0.396 175.940 176.117 0.366 0.000 1.007 61 I CA -0.605 60.840 61.300 0.241 0.000 1.167 61 I CB 1.246 39.250 38.000 0.008 0.000 1.320 61 I HN 0.418 nan 8.210 nan 0.000 0.458 62 K N 6.636 127.259 120.400 0.372 0.000 2.358 62 K HA 0.475 4.794 4.320 -0.002 0.000 0.260 62 K C -1.044 175.594 176.600 0.062 0.000 0.956 62 K CA -0.571 55.858 56.287 0.236 0.000 0.834 62 K CB 2.345 34.924 32.500 0.131 0.000 1.102 62 K HN 0.398 nan 8.250 nan 0.000 0.431 63 V N 5.959 125.724 119.914 -0.248 0.000 2.715 63 V HA -0.006 4.113 4.120 -0.002 0.000 0.299 63 V C 1.168 177.002 176.094 -0.433 0.000 1.054 63 V CA -0.023 61.783 62.300 -0.824 0.000 1.077 63 V CB 0.906 32.127 31.823 -1.004 0.000 0.972 63 V HN 0.954 nan 8.190 nan 0.000 0.484 64 M N 3.462 122.785 119.600 -0.462 0.000 2.492 64 M HA 0.021 4.500 4.480 -0.002 0.000 0.262 64 M C 1.312 177.457 176.300 -0.258 0.000 1.090 64 M CA 0.864 55.983 55.300 -0.303 0.000 1.110 64 M CB -0.988 31.409 32.600 -0.339 0.000 1.407 64 M HN 0.947 nan 8.290 nan 0.000 0.470 65 D N -1.467 118.769 120.400 -0.274 0.000 2.339 65 D HA -0.033 4.606 4.640 -0.002 0.000 0.217 65 D C 0.549 176.758 176.300 -0.150 0.000 1.050 65 D CA 0.308 54.187 54.000 -0.202 0.000 0.856 65 D CB -0.201 40.482 40.800 -0.196 0.000 0.922 65 D HN 0.132 nan 8.370 nan 0.000 0.518 66 N N -0.127 118.489 118.700 -0.140 0.000 2.622 66 N HA 0.042 4.781 4.740 -0.002 0.000 0.293 66 N C -0.160 175.312 175.510 -0.064 0.000 1.788 66 N CA 0.623 53.616 53.050 -0.094 0.000 0.860 66 N CB 0.447 38.882 38.487 -0.087 0.000 1.388 66 N HN 0.089 nan 8.380 nan 0.000 0.496 67 T N -0.460 114.060 114.554 -0.058 0.000 13.097 67 T HA -0.274 4.075 4.350 -0.002 0.000 0.418 67 T C 0.153 174.844 174.700 -0.015 0.000 1.446 67 T CA 2.901 64.982 62.100 -0.032 0.000 2.371 67 T CB -1.451 67.402 68.868 -0.025 0.000 2.810 67 T HN 0.661 nan 8.240 nan 0.000 0.655 68 S N 0.366 116.059 115.700 -0.011 0.000 2.665 68 S HA 0.506 4.975 4.470 -0.002 0.000 0.226 68 S C -0.641 173.968 174.600 0.015 0.000 0.773 68 S CA -0.646 57.558 58.200 0.006 0.000 1.041 68 S CB -0.310 62.897 63.200 0.011 0.000 1.570 68 S HN 0.655 nan 8.310 nan 0.000 0.470 69 L N 3.182 124.411 121.223 0.010 0.000 2.264 69 L HA 0.696 5.035 4.340 -0.002 0.000 0.289 69 L C -0.009 176.912 176.870 0.085 0.000 1.044 69 L CA -0.811 54.052 54.840 0.038 0.000 0.807 69 L CB 1.315 43.385 42.059 0.018 0.000 1.192 69 L HN 0.576 nan 8.230 nan 0.000 0.425 70 I N 0.893 121.539 120.570 0.125 0.000 2.785 70 I HA 0.417 4.586 4.170 -0.002 0.000 0.302 70 I C -0.579 175.684 176.117 0.243 0.000 1.069 70 I CA -1.248 60.167 61.300 0.192 0.000 1.045 70 I CB 2.137 40.212 38.000 0.125 0.000 1.236 70 I HN 0.306 nan 8.210 nan 0.000 0.429 71 L N 3.795 125.190 121.223 0.286 0.000 2.559 71 L HA 0.261 4.599 4.340 -0.002 0.000 0.274 71 L C -0.253 176.882 176.870 0.442 0.000 1.205 71 L CA 1.569 56.546 54.840 0.227 0.000 0.907 71 L CB 0.302 42.295 42.059 -0.110 0.000 1.153 71 L HN 0.799 nan 8.230 nan 0.000 0.490 72 T N 4.853 119.648 114.554 0.401 0.000 2.928 72 T HA 0.173 4.521 4.350 -0.002 0.000 0.296 72 T C -1.314 173.667 174.700 0.468 0.000 1.000 72 T CA -0.319 62.017 62.100 0.394 0.000 0.989 72 T CB 0.529 69.522 68.868 0.207 0.000 1.005 72 T HN 0.561 nan 8.240 nan 0.000 0.442 73 W N 3.967 125.429 121.300 0.270 0.000 2.304 73 W HA 0.300 4.962 4.660 0.003 0.000 0.313 73 W C -0.143 176.433 176.519 0.094 0.000 1.323 73 W CA -1.116 56.340 57.345 0.185 0.000 1.223 73 W CB -0.282 29.210 29.460 0.053 0.000 1.237 73 W HN 0.630 nan 8.180 nan 0.000 0.535 74 N N 5.451 124.080 118.700 -0.119 0.000 3.259 74 N HA 0.316 5.054 4.740 -0.002 0.000 0.308 74 N C 0.064 175.193 175.510 -0.635 0.000 1.334 74 N CA -0.405 52.482 53.050 -0.272 0.000 1.202 74 N CB 0.149 38.596 38.487 -0.067 0.000 1.485 74 N HN 0.482 nan 8.380 nan 0.000 0.549 75 A N 1.759 123.847 122.820 -1.219 0.000 2.531 75 A HA 0.100 4.419 4.320 -0.002 0.000 0.236 75 A C -0.762 176.484 177.584 -0.564 0.000 1.062 75 A CA -0.783 50.435 52.037 -1.365 0.000 0.760 75 A CB 0.139 18.113 19.000 -1.711 0.000 0.995 75 A HN 0.350 nan 8.150 nan 0.000 0.501 76 P HA 0.158 nan 4.420 nan 0.000 0.257 76 P C 0.104 177.355 177.300 -0.081 0.000 1.281 76 P CA 0.063 63.017 63.100 -0.244 0.000 0.826 76 P CB -0.041 31.606 31.700 -0.089 0.000 1.237 77 L N 0.478 121.630 121.223 -0.118 0.000 2.468 77 L HA 0.086 4.425 4.340 -0.002 0.000 0.253 77 L C 1.742 178.753 176.870 0.235 0.000 1.237 77 L CA 0.173 55.034 54.840 0.036 0.000 0.823 77 L CB -0.013 42.052 42.059 0.009 0.000 1.124 77 L HN -0.052 nan 8.230 nan 0.000 0.504 78 S N -2.219 113.632 115.700 0.251 0.000 2.577 78 S HA 0.070 4.539 4.470 -0.002 0.000 0.219 78 S C 0.479 175.266 174.600 0.311 0.000 0.962 78 S CA -0.325 58.075 58.200 0.333 0.000 0.921 78 S CB -0.230 63.088 63.200 0.196 0.000 0.789 78 S HN 0.648 nan 8.310 nan 0.000 0.497 79 S N 1.313 117.172 115.700 0.265 0.000 2.672 79 S HA 0.771 5.240 4.470 -0.002 0.000 0.276 79 S C -0.126 174.651 174.600 0.294 0.000 1.207 79 S CA -0.322 58.009 58.200 0.218 0.000 1.002 79 S CB 1.348 64.627 63.200 0.133 0.000 0.998 79 S HN 0.928 nan 8.310 nan 0.000 0.542 80 V N -0.914 119.141 119.914 0.234 0.000 2.823 80 V HA 0.973 5.092 4.120 -0.002 0.000 0.312 80 V C -0.268 175.925 176.094 0.164 0.000 1.072 80 V CA -0.262 62.188 62.300 0.250 0.000 0.937 80 V CB 1.124 33.080 31.823 0.222 0.000 1.013 80 V HN 1.403 nan 8.190 nan 0.000 0.430 81 S N 2.077 117.878 115.700 0.168 0.000 2.794 81 S HA 0.894 5.363 4.470 -0.002 0.000 0.299 81 S C -0.531 174.161 174.600 0.153 0.000 1.179 81 S CA -0.219 58.060 58.200 0.132 0.000 0.838 81 S CB 1.454 64.717 63.200 0.104 0.000 1.206 81 S HN 2.233 nan 8.310 nan 0.000 0.523 82 V N -0.867 119.135 119.914 0.146 0.000 2.483 82 V HA 0.830 4.949 4.120 -0.002 0.000 0.295 82 V C -0.701 175.459 176.094 0.110 0.000 1.035 82 V CA -0.598 61.800 62.300 0.163 0.000 0.896 82 V CB 0.717 32.660 31.823 0.199 0.000 0.986 82 V HN 0.981 nan 8.190 nan 0.000 0.447 83 K N 1.610 122.072 120.400 0.103 0.000 2.536 83 K HA 0.506 4.824 4.320 -0.002 0.000 0.269 83 K C -0.519 176.114 176.600 0.056 0.000 0.965 83 K CA -0.891 55.436 56.287 0.067 0.000 0.860 83 K CB 2.334 34.870 32.500 0.060 0.000 1.423 83 K HN 0.767 nan 8.250 nan 0.000 0.438 84 T N 1.713 116.288 114.554 0.036 0.000 2.903 84 T HA -0.127 4.221 4.350 -0.002 0.000 0.299 84 T C -0.004 174.713 174.700 0.030 0.000 1.041 84 T CA 0.555 62.671 62.100 0.027 0.000 1.138 84 T CB -0.017 68.862 68.868 0.018 0.000 1.040 84 T HN 0.416 nan 8.240 nan 0.000 0.524 85 D N 2.317 122.733 120.400 0.026 0.000 2.346 85 D HA 0.085 4.724 4.640 -0.002 0.000 0.260 85 D C 1.151 177.463 176.300 0.020 0.000 1.252 85 D CA -0.153 53.859 54.000 0.019 0.000 0.895 85 D CB 0.478 41.287 40.800 0.015 0.000 1.097 85 D HN 0.637 nan 8.370 nan 0.000 0.489 86 T N 0.003 114.570 114.554 0.023 0.000 3.132 86 T HA 0.106 4.455 4.350 -0.002 0.000 0.274 86 T C 0.449 175.178 174.700 0.048 0.000 1.011 86 T CA -0.573 61.545 62.100 0.030 0.000 0.899 86 T CB -0.221 68.662 68.868 0.025 0.000 1.089 86 T HN 0.479 nan 8.240 nan 0.000 0.543 87 N N 1.328 120.064 118.700 0.059 0.000 2.740 87 N HA -0.106 4.632 4.740 -0.002 0.000 0.248 87 N C 0.408 176.023 175.510 0.176 0.000 1.062 87 N CA 0.873 54.014 53.050 0.151 0.000 0.704 87 N CB -1.384 37.189 38.487 0.144 0.000 0.968 87 N HN 0.787 nan 8.380 nan 0.000 0.547 88 G N -0.151 108.722 108.800 0.122 0.000 2.444 88 G HA2 0.248 4.207 3.960 -0.002 0.000 0.268 88 G HA3 0.248 4.207 3.960 -0.002 0.000 0.268 88 G C 0.861 175.879 174.900 0.197 0.000 1.203 88 G CA -0.292 44.876 45.100 0.113 0.000 0.835 88 G HN -0.000 nan 8.290 nan 0.000 0.543 89 D N 0.576 121.082 120.400 0.177 0.000 2.182 89 D HA -0.160 4.479 4.640 -0.002 0.000 0.201 89 D C 2.298 178.720 176.300 0.204 0.000 0.986 89 D CA 1.236 55.385 54.000 0.248 0.000 0.847 89 D CB 0.143 41.081 40.800 0.230 0.000 0.942 89 D HN 0.600 nan 8.370 nan 0.000 0.467 90 N N 0.564 119.340 118.700 0.128 0.000 2.573 90 N HA -0.158 4.581 4.740 -0.002 0.000 0.187 90 N C 0.814 176.306 175.510 -0.030 0.000 1.107 90 N CA 0.491 53.604 53.050 0.105 0.000 0.918 90 N CB -0.231 38.307 38.487 0.086 0.000 0.966 90 N HN 0.335 nan 8.380 nan 0.000 0.448 91 Q N -0.877 118.908 119.800 -0.025 0.000 2.247 91 Q HA 0.172 4.511 4.340 -0.002 0.000 0.204 91 Q C -0.643 175.185 176.000 -0.287 0.000 0.872 91 Q CA -0.089 55.675 55.803 -0.065 0.000 0.951 91 Q CB 0.331 29.039 28.738 -0.052 0.000 1.099 91 Q HN 0.373 nan 8.270 nan 0.000 0.501 92 Y N -0.574 119.529 120.300 -0.329 0.000 2.446 92 Y HA 0.369 4.918 4.550 -0.003 0.000 0.338 92 Y C -0.835 174.720 175.900 -0.574 0.000 1.055 92 Y CA -0.785 57.131 58.100 -0.306 0.000 1.101 92 Y CB 1.238 39.471 38.460 -0.378 0.000 1.221 92 Y HN -0.017 nan 8.280 nan 0.000 0.460 93 W N 2.135 123.533 121.300 0.163 0.000 3.042 93 W HA 0.435 5.092 4.660 -0.004 0.000 0.337 93 W C -1.670 174.958 176.519 0.182 0.000 1.086 93 W CA -1.046 56.381 57.345 0.138 0.000 1.236 93 W CB 0.714 30.241 29.460 0.112 0.000 1.381 93 W HN 0.325 nan 8.180 nan 0.000 0.472 94 Y N 3.459 124.037 120.300 0.464 0.000 2.465 94 Y HA 0.329 4.879 4.550 -0.000 0.000 0.331 94 Y C 0.529 176.630 175.900 0.336 0.000 1.102 94 Y CA -0.068 58.269 58.100 0.395 0.000 1.358 94 Y CB 0.330 38.954 38.460 0.274 0.000 1.213 94 Y HN 0.086 nan 8.280 nan 0.000 0.525 95 L N 6.243 127.747 121.223 0.468 0.000 2.298 95 L HA 0.557 4.895 4.340 -0.002 0.000 0.284 95 L C -0.923 176.018 176.870 0.118 0.000 1.013 95 L CA -0.452 54.455 54.840 0.111 0.000 0.824 95 L CB 0.837 42.684 42.059 -0.353 0.000 1.221 95 L HN 0.486 nan 8.230 nan 0.000 0.418 96 L N 3.572 124.842 121.223 0.079 0.000 2.410 96 L HA 0.543 4.882 4.340 -0.002 0.000 0.270 96 L C -0.662 176.228 176.870 0.034 0.000 0.983 96 L CA -0.486 54.399 54.840 0.075 0.000 0.822 96 L CB 2.439 44.562 42.059 0.107 0.000 1.285 96 L HN 0.554 nan 8.230 nan 0.000 0.409 97 Q N 2.457 122.265 119.800 0.013 0.000 2.316 97 Q HA 0.287 4.626 4.340 -0.002 0.000 0.264 97 Q C -0.675 175.349 176.000 0.041 0.000 0.987 97 Q CA -0.681 55.123 55.803 0.002 0.000 0.852 97 Q CB 1.815 30.531 28.738 -0.037 0.000 1.287 97 Q HN 0.557 nan 8.270 nan 0.000 0.448 98 N N 3.040 121.752 118.700 0.020 0.000 2.442 98 N HA -0.070 4.669 4.740 -0.002 0.000 0.265 98 N C -0.011 175.515 175.510 0.027 0.000 1.138 98 N CA 0.371 53.428 53.050 0.012 0.000 0.956 98 N CB 0.577 39.017 38.487 -0.079 0.000 1.067 98 N HN 0.761 nan 8.380 nan 0.000 0.474 99 Y N 4.836 125.113 120.300 -0.038 0.000 2.333 99 Y HA -0.031 4.517 4.550 -0.002 0.000 0.290 99 Y C 1.565 177.445 175.900 -0.034 0.000 1.144 99 Y CA 1.492 59.572 58.100 -0.032 0.000 1.228 99 Y CB 0.211 38.657 38.460 -0.023 0.000 0.985 99 Y HN 0.646 nan 8.280 nan 0.000 0.542 100 I N -1.394 119.116 120.570 -0.101 0.000 2.729 100 I HA -0.150 4.019 4.170 -0.002 0.000 0.256 100 I C 2.483 178.504 176.117 -0.160 0.000 1.115 100 I CA 1.028 62.241 61.300 -0.145 0.000 1.446 100 I CB -0.471 37.513 38.000 -0.027 0.000 1.176 100 I HN 0.159 nan 8.210 nan 0.000 0.446 101 S N 0.598 116.214 115.700 -0.140 0.000 2.428 101 S HA -0.099 4.370 4.470 -0.002 0.000 0.230 101 S C 1.263 175.777 174.600 -0.143 0.000 1.014 101 S CA 0.207 58.314 58.200 -0.154 0.000 0.957 101 S CB 0.066 63.131 63.200 -0.225 0.000 0.784 101 S HN 0.354 nan 8.310 nan 0.000 0.499 102 R N -0.065 120.350 120.500 -0.143 0.000 3.954 102 R HA -0.088 4.251 4.340 -0.002 0.000 0.422 102 R C -1.127 175.143 176.300 -0.049 0.000 1.091 102 R CA 0.876 56.916 56.100 -0.100 0.000 1.168 102 R CB -3.169 27.084 30.300 -0.079 0.000 1.752 102 R HN 0.512 nan 8.270 nan 0.000 0.547 103 N N 1.027 119.668 118.700 -0.098 0.000 2.530 103 N HA 0.297 5.036 4.740 -0.002 0.000 0.273 103 N C -0.055 175.498 175.510 0.071 0.000 1.173 103 N CA -0.012 53.011 53.050 -0.044 0.000 0.967 103 N CB 1.158 39.432 38.487 -0.356 0.000 1.109 103 N HN -0.090 nan 8.380 nan 0.000 0.453 104 V N 2.939 122.993 119.914 0.234 0.000 2.555 104 V HA 0.453 4.571 4.120 -0.002 0.000 0.302 104 V C 0.471 176.808 176.094 0.405 0.000 1.038 104 V CA -0.778 61.646 62.300 0.207 0.000 0.887 104 V CB 1.728 33.559 31.823 0.013 0.000 0.991 104 V HN 0.460 nan 8.190 nan 0.000 0.434 105 I N 4.888 125.650 120.570 0.319 0.000 2.353 105 I HA 0.425 4.594 4.170 -0.002 0.000 0.293 105 I C -0.424 175.833 176.117 0.234 0.000 0.992 105 I CA -0.370 61.120 61.300 0.316 0.000 1.268 105 I CB 1.611 39.755 38.000 0.241 0.000 1.387 105 I HN 0.451 nan 8.210 nan 0.000 0.478 106 I N 6.978 127.674 120.570 0.211 0.000 2.347 106 I HA 0.314 4.483 4.170 -0.002 0.000 0.283 106 I C 0.177 176.464 176.117 0.284 0.000 1.058 106 I CA -0.330 61.043 61.300 0.121 0.000 1.202 106 I CB 0.479 38.331 38.000 -0.247 0.000 1.386 106 I HN 0.505 nan 8.210 nan 0.000 0.475 107 R N 5.463 126.212 120.500 0.415 0.000 2.346 107 R HA 0.276 4.615 4.340 -0.002 0.000 0.311 107 R C -0.065 176.519 176.300 0.473 0.000 0.983 107 R CA -0.603 55.738 56.100 0.401 0.000 0.880 107 R CB 1.126 31.622 30.300 0.327 0.000 1.100 107 R HN 0.556 nan 8.270 nan 0.000 0.453 108 N N 3.126 121.939 118.700 0.188 0.000 2.513 108 N HA -0.114 4.625 4.740 -0.002 0.000 0.268 108 N C 0.353 175.796 175.510 -0.111 0.000 1.180 108 N CA 0.261 53.137 53.050 -0.289 0.000 0.948 108 N CB 0.632 38.756 38.487 -0.605 0.000 1.083 108 N HN 0.621 nan 8.380 nan 0.000 0.455 109 Y N 4.471 124.563 120.300 -0.347 0.000 2.184 109 Y HA -0.147 4.401 4.550 -0.003 0.000 0.290 109 Y C 2.538 178.371 175.900 -0.111 0.000 1.129 109 Y CA 1.658 59.577 58.100 -0.303 0.000 1.144 109 Y CB -0.046 38.179 38.460 -0.391 0.000 0.995 109 Y HN 0.689 nan 8.280 nan 0.000 0.513 110 M N 0.015 119.594 119.600 -0.035 0.000 2.117 110 M HA -0.196 4.283 4.480 -0.002 0.000 0.262 110 M C -0.070 176.214 176.300 -0.027 0.000 1.065 110 M CA 1.905 57.213 55.300 0.014 0.000 1.114 110 M CB -0.040 32.696 32.600 0.227 0.000 1.361 110 M HN 0.206 nan 8.290 nan 0.000 0.408 111 N N 0.081 118.730 118.700 -0.085 0.000 2.664 111 N HA 0.277 5.016 4.740 -0.002 0.000 0.257 111 N C -2.408 173.003 175.510 -0.164 0.000 1.108 111 N CA -1.943 51.027 53.050 -0.133 0.000 0.822 111 N CB 1.288 39.665 38.487 -0.183 0.000 1.199 111 N HN 0.073 nan 8.380 nan 0.000 0.529 112 P HA 0.026 nan 4.420 nan 0.000 0.242 112 P C 0.318 177.593 177.300 -0.040 0.000 1.197 112 P CA 0.442 63.543 63.100 0.001 0.000 0.765 112 P CB 0.504 32.221 31.700 0.029 0.000 0.936 113 N N -0.003 118.652 118.700 -0.074 0.000 2.331 113 N HA -0.001 4.738 4.740 -0.002 0.000 0.180 113 N C 0.842 176.300 175.510 -0.087 0.000 1.019 113 N CA 0.677 53.686 53.050 -0.069 0.000 0.881 113 N CB -0.110 38.341 38.487 -0.061 0.000 0.972 113 N HN 0.308 nan 8.380 nan 0.000 0.435 114 L N 0.978 122.110 121.223 -0.151 0.000 2.322 114 L HA 0.488 4.827 4.340 -0.002 0.000 0.279 114 L C -0.064 176.751 176.870 -0.092 0.000 1.036 114 L CA -0.948 53.779 54.840 -0.188 0.000 0.807 114 L CB 1.946 43.748 42.059 -0.427 0.000 1.226 114 L HN -0.192 nan 8.230 nan 0.000 0.433 115 V N 0.581 120.479 119.914 -0.026 0.000 2.962 115 V HA 0.506 4.625 4.120 -0.002 0.000 0.313 115 V C -0.531 175.621 176.094 0.096 0.000 1.099 115 V CA -1.123 61.225 62.300 0.081 0.000 0.971 115 V CB 2.004 33.865 31.823 0.063 0.000 1.028 115 V HN 0.545 nan 8.190 nan 0.000 0.430 116 L N 3.718 125.021 121.223 0.133 0.000 2.490 116 L HA 0.478 4.817 4.340 -0.002 0.000 0.274 116 L C 0.226 177.243 176.870 0.246 0.000 1.201 116 L CA 1.032 55.923 54.840 0.084 0.000 0.869 116 L CB 0.627 42.557 42.059 -0.215 0.000 1.123 116 L HN 1.100 nan 8.230 nan 0.000 0.484 117 Q N 3.780 123.707 119.800 0.210 0.000 2.421 117 Q HA 0.496 4.835 4.340 -0.002 0.000 0.280 117 Q C -1.752 174.376 176.000 0.213 0.000 1.085 117 Q CA -0.943 54.959 55.803 0.164 0.000 0.807 117 Q CB 1.543 30.256 28.738 -0.041 0.000 1.405 117 Q HN 0.560 nan 8.270 nan 0.000 0.419 118 Y N 0.502 120.839 120.300 0.063 0.000 2.328 118 Y HA 0.598 5.146 4.550 -0.003 0.000 0.337 118 Y C -0.641 175.260 175.900 0.003 0.000 1.008 118 Y CA -1.103 57.024 58.100 0.046 0.000 1.129 118 Y CB 0.814 39.277 38.460 0.005 0.000 1.185 118 Y HN 0.512 nan 8.280 nan 0.000 0.476 119 N N 2.977 121.754 118.700 0.128 0.000 2.379 119 N HA 0.186 4.925 4.740 -0.002 0.000 0.260 119 N C 1.179 176.734 175.510 0.075 0.000 1.254 119 N CA -0.609 52.470 53.050 0.049 0.000 0.958 119 N CB 0.750 39.272 38.487 0.058 0.000 1.208 119 N HN 0.685 nan 8.380 nan 0.000 0.532 120 I N 0.609 121.200 120.570 0.035 0.000 2.226 120 I HA -0.213 3.955 4.170 -0.002 0.000 0.245 120 I C 1.344 177.492 176.117 0.051 0.000 1.100 120 I CA 1.452 62.775 61.300 0.037 0.000 1.374 120 I CB -1.068 36.940 38.000 0.014 0.000 1.057 120 I HN 0.576 nan 8.210 nan 0.000 0.413 121 D N -0.027 120.404 120.400 0.051 0.000 2.323 121 D HA -0.128 4.511 4.640 -0.002 0.000 0.239 121 D C 0.233 176.576 176.300 0.071 0.000 1.129 121 D CA 0.093 54.122 54.000 0.049 0.000 0.865 121 D CB -0.576 40.254 40.800 0.049 0.000 0.913 121 D HN 0.196 nan 8.370 nan 0.000 0.517 122 D N 0.139 120.598 120.400 0.099 0.000 2.983 122 D HA -0.171 4.468 4.640 -0.002 0.000 0.225 122 D C 0.080 176.467 176.300 0.145 0.000 1.174 122 D CA 1.429 55.504 54.000 0.125 0.000 0.831 122 D CB -1.850 38.987 40.800 0.061 0.000 1.104 122 D HN 0.616 nan 8.370 nan 0.000 0.421 123 T N -2.246 112.389 114.554 0.135 0.000 2.816 123 T HA 0.628 4.976 4.350 -0.002 0.000 0.282 123 T C 0.729 175.515 174.700 0.144 0.000 0.993 123 T CA -0.805 61.375 62.100 0.134 0.000 0.994 123 T CB 1.872 70.807 68.868 0.112 0.000 1.025 123 T HN 0.144 nan 8.240 nan 0.000 0.529 124 L N 1.346 122.647 121.223 0.130 0.000 2.333 124 L HA 0.796 5.135 4.340 -0.002 0.000 0.269 124 L C -0.040 176.901 176.870 0.119 0.000 1.010 124 L CA -1.161 53.760 54.840 0.134 0.000 0.818 124 L CB 1.877 43.995 42.059 0.098 0.000 1.306 124 L HN 0.910 nan 8.230 nan 0.000 0.430 125 M N 0.972 120.644 119.600 0.121 0.000 2.732 125 M HA 0.603 5.082 4.480 -0.002 0.000 0.272 125 M C -1.379 174.991 176.300 0.117 0.000 1.203 125 M CA -0.980 54.397 55.300 0.128 0.000 0.841 125 M CB 2.044 34.709 32.600 0.108 0.000 1.685 125 M HN 0.220 nan 8.290 nan 0.000 0.492 126 V N -0.172 119.820 119.914 0.129 0.000 2.644 126 V HA 0.946 5.065 4.120 -0.002 0.000 0.295 126 V C -0.247 175.856 176.094 0.014 0.000 1.053 126 V CA 0.178 62.502 62.300 0.038 0.000 0.987 126 V CB 1.132 32.870 31.823 -0.142 0.000 1.006 126 V HN 1.083 nan 8.190 nan 0.000 0.472 127 S N 2.315 118.000 115.700 -0.025 0.000 2.587 127 S HA 0.601 5.070 4.470 -0.002 0.000 0.269 127 S C -0.207 174.363 174.600 -0.049 0.000 1.154 127 S CA -0.029 58.156 58.200 -0.026 0.000 0.824 127 S CB 1.653 64.843 63.200 -0.016 0.000 1.118 127 S HN 1.913 nan 8.310 nan 0.000 0.462 128 T N 0.653 115.181 114.554 -0.043 0.000 2.903 128 T HA 0.261 4.610 4.350 -0.002 0.000 0.314 128 T C 0.162 174.828 174.700 -0.056 0.000 1.078 128 T CA -0.169 61.903 62.100 -0.048 0.000 1.114 128 T CB 0.298 69.145 68.868 -0.035 0.000 0.987 128 T HN 0.729 nan 8.240 nan 0.000 0.548 129 Q N 1.693 121.458 119.800 -0.058 0.000 2.307 129 Q HA 0.358 4.697 4.340 -0.002 0.000 0.259 129 Q C -0.346 175.607 176.000 -0.078 0.000 0.998 129 Q CA -0.549 55.207 55.803 -0.078 0.000 0.923 129 Q CB 0.323 29.021 28.738 -0.067 0.000 1.196 129 Q HN 0.922 nan 8.270 nan 0.000 0.416 130 T N -0.188 114.305 114.554 -0.102 0.000 2.887 130 T HA 0.246 4.595 4.350 -0.002 0.000 0.288 130 T C 1.148 175.778 174.700 -0.117 0.000 1.021 130 T CA -0.258 61.789 62.100 -0.088 0.000 1.000 130 T CB 1.610 70.434 68.868 -0.074 0.000 1.034 130 T HN 0.628 nan 8.240 nan 0.000 0.467 131 S N 1.822 117.478 115.700 -0.073 0.000 2.428 131 S HA -0.168 4.301 4.470 -0.002 0.000 0.240 131 S C 1.255 175.810 174.600 -0.074 0.000 1.036 131 S CA 0.907 59.078 58.200 -0.048 0.000 1.009 131 S CB -1.465 61.734 63.200 -0.001 0.000 0.803 131 S HN 1.226 nan 8.310 nan 0.000 0.486 132 S N 2.282 117.919 115.700 -0.104 0.000 2.550 132 S HA 0.111 4.579 4.470 -0.002 0.000 0.285 132 S C 1.135 175.628 174.600 -0.179 0.000 1.326 132 S CA -0.025 58.106 58.200 -0.115 0.000 1.037 132 S CB 0.458 63.575 63.200 -0.139 0.000 0.838 132 S HN 0.721 nan 8.310 nan 0.000 0.519 133 S N 0.726 116.375 115.700 -0.086 0.000 2.607 133 S HA -0.104 4.365 4.470 -0.002 0.000 0.224 133 S C 1.085 175.553 174.600 -0.219 0.000 0.969 133 S CA 0.310 58.520 58.200 0.016 0.000 0.927 133 S CB -0.840 62.435 63.200 0.125 0.000 0.772 133 S HN 0.866 nan 8.310 nan 0.000 0.533 134 N N 1.666 120.071 118.700 -0.491 0.000 2.571 134 N HA -0.070 4.668 4.740 -0.002 0.000 0.189 134 N C 0.947 175.976 175.510 -0.801 0.000 1.154 134 N CA 0.451 52.888 53.050 -1.022 0.000 0.907 134 N CB -0.546 37.505 38.487 -0.726 0.000 0.977 134 N HN 0.661 nan 8.380 nan 0.000 0.449 135 Q N -1.022 118.459 119.800 -0.533 0.000 2.171 135 Q HA 0.258 4.597 4.340 -0.002 0.000 0.218 135 Q C -0.913 174.936 176.000 -0.251 0.000 0.822 135 Q CA -0.271 55.334 55.803 -0.331 0.000 0.987 135 Q CB 0.495 29.034 28.738 -0.332 0.000 1.144 135 Q HN 0.159 nan 8.270 nan 0.000 0.494 136 F N 0.512 120.380 119.950 -0.136 0.000 2.415 136 F HA 0.446 4.971 4.527 -0.002 0.000 0.348 136 F C -0.254 175.423 175.800 -0.204 0.000 1.119 136 F CA -1.270 56.712 58.000 -0.031 0.000 1.069 136 F CB 0.594 39.595 39.000 0.001 0.000 1.124 136 F HN -0.139 nan 8.300 nan 0.000 0.472 137 F N 2.004 122.169 119.950 0.358 0.000 2.546 137 F HA 0.544 5.071 4.527 -0.001 0.000 0.320 137 F C 0.002 175.934 175.800 0.220 0.000 1.076 137 F CA -1.094 57.031 58.000 0.208 0.000 0.928 137 F CB 1.831 40.917 39.000 0.143 0.000 1.189 137 F HN 0.164 nan 8.300 nan 0.000 0.465 138 K N 2.129 122.707 120.400 0.296 0.000 2.182 138 K HA 0.513 4.832 4.320 -0.002 0.000 0.262 138 K C -1.502 175.261 176.600 0.272 0.000 0.957 138 K CA -0.561 55.888 56.287 0.271 0.000 0.842 138 K CB 1.683 34.269 32.500 0.143 0.000 1.099 138 K HN 0.466 nan 8.250 nan 0.000 0.438 139 F N 0.803 120.790 119.950 0.061 0.000 2.427 139 F HA 0.237 4.763 4.527 -0.003 0.000 0.346 139 F C 0.216 176.162 175.800 0.244 0.000 1.120 139 F CA -0.631 57.413 58.000 0.074 0.000 1.033 139 F CB 1.943 40.788 39.000 -0.259 0.000 1.126 139 F HN 0.311 nan 8.300 nan 0.000 0.462 140 S N 3.199 119.205 115.700 0.508 0.000 2.552 140 S HA 0.168 4.637 4.470 -0.002 0.000 0.314 140 S C -0.576 174.294 174.600 0.449 0.000 1.099 140 S CA -0.965 57.510 58.200 0.458 0.000 1.070 140 S CB 1.038 64.474 63.200 0.394 0.000 0.998 140 S HN 0.590 nan 8.310 nan 0.000 0.474 141 N N 1.832 120.704 118.700 0.286 0.000 2.434 141 N HA -0.008 4.731 4.740 -0.002 0.000 0.268 141 N C 0.908 176.421 175.510 0.005 0.000 1.256 141 N CA -0.064 52.915 53.050 -0.117 0.000 0.914 141 N CB 0.511 38.916 38.487 -0.138 0.000 1.088 141 N HN 0.625 nan 8.380 nan 0.000 0.478 142 C N 3.927 123.129 119.300 -0.163 0.000 2.413 142 C HA -0.100 4.359 4.460 -0.002 0.000 0.276 142 C C 2.679 177.703 174.990 0.057 0.000 1.248 142 C CA 0.245 59.204 59.018 -0.100 0.000 1.742 142 C CB -0.878 26.696 27.740 -0.277 0.000 2.017 142 C HN 0.774 nan 8.230 nan 0.000 0.481 143 I N -0.640 119.907 120.570 -0.038 0.000 2.252 143 I HA -0.199 3.970 4.170 -0.002 0.000 0.245 143 I C 2.513 178.689 176.117 0.098 0.000 1.102 143 I CA 1.633 62.923 61.300 -0.017 0.000 1.385 143 I CB -0.545 37.358 38.000 -0.161 0.000 1.064 143 I HN 0.352 nan 8.210 nan 0.000 0.414 144 Y N 1.758 122.099 120.300 0.068 0.000 2.145 144 Y HA -0.314 4.234 4.550 -0.002 0.000 0.286 144 Y C 2.565 178.528 175.900 0.104 0.000 1.145 144 Y CA 2.112 60.291 58.100 0.131 0.000 1.148 144 Y CB -0.276 38.176 38.460 -0.014 0.000 0.981 144 Y HN 0.151 nan 8.280 nan 0.000 0.507 145 E N -0.354 119.928 120.200 0.136 0.000 2.153 145 E HA -0.170 4.179 4.350 -0.002 0.000 0.194 145 E C 2.092 178.716 176.600 0.041 0.000 0.988 145 E CA 0.924 57.369 56.400 0.075 0.000 0.811 145 E CB -0.226 29.618 29.700 0.240 0.000 0.746 145 E HN 0.579 nan 8.360 nan 0.000 0.466 146 A N 0.164 123.034 122.820 0.083 0.000 1.935 146 A HA 0.050 4.368 4.320 -0.002 0.000 0.214 146 A C 1.914 179.505 177.584 0.011 0.000 1.178 146 A CA 0.566 52.651 52.037 0.079 0.000 0.640 146 A CB 0.028 19.117 19.000 0.148 0.000 0.825 146 A HN 0.263 nan 8.150 nan 0.000 0.447 147 L N -1.257 119.949 121.223 -0.029 0.000 2.642 147 L HA 0.156 4.495 4.340 -0.002 0.000 0.233 147 L C 0.532 177.377 176.870 -0.042 0.000 1.077 147 L CA -0.268 54.533 54.840 -0.064 0.000 0.879 147 L CB -0.328 41.638 42.059 -0.155 0.000 1.151 147 L HN 0.269 nan 8.230 nan 0.000 0.495 148 N N 1.525 120.185 118.700 -0.067 0.000 2.412 148 N HA -0.093 4.646 4.740 -0.002 0.000 0.254 148 N C 0.532 176.027 175.510 -0.025 0.000 1.232 148 N CA 0.632 53.666 53.050 -0.025 0.000 0.880 148 N CB 0.101 38.361 38.487 -0.378 0.000 1.076 148 N HN 0.068 nan 8.380 nan 0.000 0.458 149 N N 0.749 119.484 118.700 0.060 0.000 2.725 149 N HA -0.214 4.525 4.740 -0.002 0.000 0.249 149 N C -1.213 174.313 175.510 0.027 0.000 1.103 149 N CA 0.754 53.834 53.050 0.050 0.000 0.707 149 N CB -0.452 38.054 38.487 0.031 0.000 1.043 149 N HN 0.571 nan 8.380 nan 0.000 0.553 150 R N 0.526 121.041 120.500 0.025 0.000 2.637 150 R HA 0.315 4.654 4.340 -0.002 0.000 0.291 150 R C -0.080 176.233 176.300 0.021 0.000 0.963 150 R CA -0.782 55.326 56.100 0.013 0.000 0.901 150 R CB 1.052 31.351 30.300 -0.003 0.000 1.160 150 R HN 0.059 nan 8.270 nan 0.000 0.457 151 N N 0.927 119.636 118.700 0.016 0.000 2.430 151 N HA 0.151 4.890 4.740 -0.002 0.000 0.265 151 N C -1.058 174.471 175.510 0.032 0.000 1.100 151 N CA 0.087 53.149 53.050 0.020 0.000 0.961 151 N CB 0.426 38.914 38.487 0.002 0.000 1.075 151 N HN 0.411 nan 8.380 nan 0.000 0.478 152 C N 2.322 121.661 119.300 0.064 0.000 2.848 152 C HA 0.628 5.087 4.460 -0.002 0.000 0.317 152 C C -0.368 174.719 174.990 0.162 0.000 1.260 152 C CA -1.026 58.033 59.018 0.068 0.000 1.656 152 C CB 1.751 29.498 27.740 0.012 0.000 2.174 152 C HN 0.731 nan 8.230 nan 0.000 0.479 153 K N 0.696 121.180 120.400 0.141 0.000 2.259 153 K HA 0.867 5.186 4.320 -0.002 0.000 0.249 153 K C -1.924 174.828 176.600 0.254 0.000 0.942 153 K CA -0.525 55.922 56.287 0.266 0.000 0.816 153 K CB 1.119 33.683 32.500 0.106 0.000 1.155 153 K HN 0.421 nan 8.250 nan 0.000 0.428 154 L N 2.312 123.737 121.223 0.335 0.000 2.319 154 L HA 0.303 4.642 4.340 -0.002 0.000 0.281 154 L C -0.406 176.694 176.870 0.385 0.000 1.005 154 L CA -0.311 54.656 54.840 0.212 0.000 0.828 154 L CB 1.739 43.713 42.059 -0.141 0.000 1.227 154 L HN 0.687 nan 8.230 nan 0.000 0.415 155 Q N 1.925 121.846 119.800 0.202 0.000 2.290 155 Q HA 0.295 4.634 4.340 -0.002 0.000 0.259 155 Q C -0.312 175.638 176.000 -0.084 0.000 0.941 155 Q CA -0.433 55.238 55.803 -0.220 0.000 0.912 155 Q CB 1.844 30.262 28.738 -0.532 0.000 1.244 155 Q HN 0.611 nan 8.270 nan 0.000 0.441 156 T N 1.919 116.313 114.554 -0.268 0.000 2.916 156 T HA -0.059 4.290 4.350 -0.002 0.000 0.303 156 T C 0.926 175.369 174.700 -0.427 0.000 1.025 156 T CA 0.097 61.813 62.100 -0.640 0.000 1.142 156 T CB 0.990 69.450 68.868 -0.680 0.000 0.947 156 T HN 0.758 nan 8.240 nan 0.000 0.544 157 Q N 3.571 123.112 119.800 -0.432 0.000 2.364 157 Q HA 0.064 4.403 4.340 -0.002 0.000 0.207 157 Q C 1.867 177.722 176.000 -0.240 0.000 0.970 157 Q CA 1.351 56.992 55.803 -0.271 0.000 0.888 157 Q CB -0.535 28.066 28.738 -0.229 0.000 0.951 157 Q HN 0.882 nan 8.270 nan 0.000 0.469 158 L N -0.102 120.952 121.223 -0.281 0.000 2.187 158 L HA -0.076 4.263 4.340 -0.002 0.000 0.213 158 L C 0.878 177.646 176.870 -0.170 0.000 1.100 158 L CA 0.901 55.613 54.840 -0.212 0.000 0.765 158 L CB -0.229 41.700 42.059 -0.217 0.000 0.904 158 L HN 0.280 nan 8.230 nan 0.000 0.437 159 N N -1.577 117.010 118.700 -0.188 0.000 2.521 159 N HA -0.013 4.726 4.740 -0.002 0.000 0.269 159 N C 0.517 175.922 175.510 -0.175 0.000 1.079 159 N CA 0.444 53.404 53.050 -0.150 0.000 0.980 159 N CB 1.616 40.028 38.487 -0.126 0.000 1.667 159 N HN -0.104 nan 8.380 nan 0.000 0.498 160 S N 1.187 116.812 115.700 -0.125 0.000 2.469 160 S HA -0.113 4.356 4.470 -0.002 0.000 0.238 160 S C 0.549 175.078 174.600 -0.119 0.000 0.998 160 S CA 1.085 59.214 58.200 -0.119 0.000 0.957 160 S CB 0.032 63.200 63.200 -0.053 0.000 0.764 160 S HN 0.594 nan 8.310 nan 0.000 0.514 161 D N 0.781 121.140 120.400 -0.068 0.000 2.938 161 D HA 0.285 4.924 4.640 -0.002 0.000 0.369 161 D C -0.814 175.553 176.300 0.112 0.000 1.301 161 D CA -0.376 53.697 54.000 0.121 0.000 0.805 161 D CB 0.223 41.151 40.800 0.214 0.000 1.161 161 D HN 0.019 nan 8.370 nan 0.000 0.474 162 R N 1.041 121.444 120.500 -0.160 0.000 2.502 162 R HA 0.426 4.765 4.340 -0.002 0.000 0.298 162 R C -1.169 175.055 176.300 -0.128 0.000 1.018 162 R CA -0.489 55.608 56.100 -0.005 0.000 0.899 162 R CB 0.721 30.991 30.300 -0.050 0.000 1.181 162 R HN 0.038 nan 8.270 nan 0.000 0.444 163 F N 1.079 121.205 119.950 0.293 0.000 2.579 163 F HA 0.405 4.931 4.527 -0.001 0.000 0.324 163 F C 0.407 176.434 175.800 0.378 0.000 1.058 163 F CA -1.278 56.932 58.000 0.352 0.000 0.944 163 F CB 1.179 40.441 39.000 0.436 0.000 1.245 163 F HN 0.196 nan 8.300 nan 0.000 0.477 164 L N 2.269 123.816 121.223 0.540 0.000 2.534 164 L HA 0.306 4.645 4.340 -0.002 0.000 0.271 164 L C -0.494 176.708 176.870 0.554 0.000 1.178 164 L CA 0.795 55.838 54.840 0.337 0.000 0.907 164 L CB -0.461 41.500 42.059 -0.162 0.000 1.164 164 L HN 0.540 nan 8.230 nan 0.000 0.482 165 S N 4.670 120.658 115.700 0.480 0.000 2.619 165 S HA 0.340 4.809 4.470 -0.002 0.000 0.280 165 S C -0.807 173.998 174.600 0.342 0.000 1.150 165 S CA -0.970 57.484 58.200 0.424 0.000 0.978 165 S CB 1.505 64.926 63.200 0.369 0.000 1.041 165 S HN 0.587 nan 8.310 nan 0.000 0.485 166 K N 2.174 122.728 120.400 0.257 0.000 2.448 166 K HA 0.120 4.439 4.320 -0.002 0.000 0.278 166 K C -0.105 176.521 176.600 0.044 0.000 1.009 166 K CA -0.170 56.197 56.287 0.134 0.000 0.995 166 K CB 0.308 32.805 32.500 -0.006 0.000 0.917 166 K HN 0.492 nan 8.250 nan 0.000 0.481 167 N N 2.510 121.231 118.700 0.035 0.000 2.483 167 N HA 0.090 4.829 4.740 -0.002 0.000 0.269 167 N C -0.886 174.578 175.510 -0.076 0.000 1.209 167 N CA -0.524 52.502 53.050 -0.040 0.000 0.969 167 N CB 0.473 38.949 38.487 -0.018 0.000 1.173 167 N HN 0.448 nan 8.380 nan 0.000 0.475 168 L N 2.910 124.049 121.223 -0.141 0.000 2.513 168 L HA 0.095 4.434 4.340 -0.002 0.000 0.272 168 L C 0.385 177.211 176.870 -0.073 0.000 1.187 168 L CA 0.471 55.238 54.840 -0.121 0.000 0.895 168 L CB -0.759 41.199 42.059 -0.169 0.000 1.147 168 L HN 0.759 nan 8.230 nan 0.000 0.483 169 N N 1.908 120.574 118.700 -0.056 0.000 2.716 169 N HA -0.237 4.502 4.740 -0.002 0.000 0.250 169 N C -0.817 174.686 175.510 -0.012 0.000 1.033 169 N CA 1.239 54.269 53.050 -0.033 0.000 0.727 169 N CB -0.693 37.773 38.487 -0.035 0.000 0.950 169 N HN 0.876 nan 8.380 nan 0.000 0.541 170 S N -1.786 113.912 115.700 -0.003 0.000 2.588 170 S HA 0.418 4.887 4.470 -0.002 0.000 0.269 170 S C 0.027 174.655 174.600 0.046 0.000 1.157 170 S CA -0.611 57.605 58.200 0.027 0.000 0.824 170 S CB 1.250 64.468 63.200 0.029 0.000 1.126 170 S HN 0.120 nan 8.310 nan 0.000 0.464 171 Q N 0.989 120.837 119.800 0.081 0.000 2.408 171 Q HA 0.314 4.652 4.340 -0.002 0.000 0.205 171 Q C 0.210 176.296 176.000 0.143 0.000 0.919 171 Q CA 0.341 56.213 55.803 0.116 0.000 0.932 171 Q CB -0.091 28.737 28.738 0.150 0.000 1.058 171 Q HN 0.668 nan 8.270 nan 0.000 0.517 172 I N 1.789 122.430 120.570 0.119 0.000 2.692 172 I HA -0.034 4.135 4.170 -0.002 0.000 0.284 172 I C 0.150 176.337 176.117 0.118 0.000 1.159 172 I CA -0.069 61.299 61.300 0.114 0.000 1.423 172 I CB 0.510 38.542 38.000 0.054 0.000 1.380 172 I HN -0.099 nan 8.210 nan 0.000 0.580 173 I N 6.887 127.542 120.570 0.143 0.000 2.359 173 I HA 0.399 4.568 4.170 -0.002 0.000 0.294 173 I C 0.165 176.362 176.117 0.133 0.000 0.987 173 I CA -0.353 61.047 61.300 0.167 0.000 1.225 173 I CB 1.168 39.259 38.000 0.153 0.000 1.366 173 I HN 0.298 nan 8.210 nan 0.000 0.466 174 V N 4.771 124.786 119.914 0.169 0.000 3.167 174 V HA 0.610 4.729 4.120 -0.002 0.000 0.310 174 V C -0.425 175.835 176.094 0.277 0.000 1.207 174 V CA -1.133 61.267 62.300 0.167 0.000 1.059 174 V CB 2.235 34.139 31.823 0.135 0.000 1.079 174 V HN 0.472 nan 8.190 nan 0.000 0.446 175 L N 2.161 123.537 121.223 0.255 0.000 2.397 175 L HA 0.410 4.749 4.340 -0.002 0.000 0.271 175 L C -0.478 176.628 176.870 0.392 0.000 1.148 175 L CA 0.171 55.180 54.840 0.282 0.000 0.825 175 L CB 0.873 43.017 42.059 0.143 0.000 1.117 175 L HN 0.741 nan 8.230 nan 0.000 0.456 176 W N 3.417 124.869 121.300 0.254 0.000 3.296 176 W HA 0.197 4.856 4.660 -0.002 0.000 0.314 176 W C -0.941 175.815 176.519 0.395 0.000 1.238 176 W CA -0.828 56.684 57.345 0.279 0.000 1.193 176 W CB 1.958 31.607 29.460 0.316 0.000 1.383 176 W HN 0.606 nan 8.180 nan 0.000 0.545 177 Q N 3.189 123.211 119.800 0.370 0.000 2.432 177 Q HA -0.053 4.286 4.340 -0.002 0.000 0.264 177 Q C 0.106 176.571 176.000 0.774 0.000 1.035 177 Q CA 0.247 56.369 55.803 0.531 0.000 0.908 177 Q CB 1.344 30.255 28.738 0.290 0.000 1.280 177 Q HN 0.487 nan 8.270 nan 0.000 0.455 178 W N 4.720 126.282 121.300 0.436 0.000 2.381 178 W HA 0.129 4.788 4.660 -0.001 0.000 0.321 178 W C -0.983 175.685 176.519 0.249 0.000 1.407 178 W CA -0.558 56.839 57.345 0.087 0.000 1.274 178 W CB 0.221 29.562 29.460 -0.199 0.000 1.310 178 W HN 0.835 nan 8.180 nan 0.000 0.551 179 F N 3.321 122.962 119.950 -0.515 0.000 2.810 179 F HA 0.201 4.727 4.527 -0.002 0.000 0.353 179 F C 0.245 175.588 175.800 -0.761 0.000 1.227 179 F CA -0.663 57.054 58.000 -0.471 0.000 1.210 179 F CB -0.604 38.281 39.000 -0.192 0.000 1.039 179 F HN 0.324 nan 8.300 nan 0.000 0.509 180 D N 1.485 120.805 120.400 -1.799 0.000 2.837 180 D HA -0.234 4.405 4.640 -0.002 0.000 0.230 180 D C 0.095 175.826 176.300 -0.948 0.000 1.152 180 D CA 1.111 54.290 54.000 -1.368 0.000 0.736 180 D CB -0.942 39.558 40.800 -0.499 0.000 1.084 180 D HN 0.518 nan 8.370 nan 0.000 0.429 181 S N -1.377 113.582 115.700 -1.235 0.000 2.586 181 S HA 0.467 4.936 4.470 -0.002 0.000 0.274 181 S C 1.674 175.885 174.600 -0.648 0.000 1.281 181 S CA 0.299 57.982 58.200 -0.862 0.000 1.035 181 S CB 1.401 63.928 63.200 -1.121 0.000 0.962 181 S HN 0.330 nan 8.310 nan 0.000 0.512 182 S N 4.288 119.727 115.700 -0.435 0.000 2.465 182 S HA -0.095 4.374 4.470 -0.002 0.000 0.241 182 S C 1.562 175.891 174.600 -0.451 0.000 1.000 182 S CA 0.575 58.550 58.200 -0.375 0.000 0.964 182 S CB -0.392 62.639 63.200 -0.281 0.000 0.763 182 S HN 0.799 nan 8.310 nan 0.000 0.512 183 R N 1.014 121.246 120.500 -0.445 0.000 2.237 183 R HA 0.051 4.390 4.340 -0.002 0.000 0.219 183 R C 1.428 177.469 176.300 -0.430 0.000 1.080 183 R CA 1.146 56.995 56.100 -0.418 0.000 0.995 183 R CB -0.204 29.928 30.300 -0.281 0.000 0.875 183 R HN 0.662 nan 8.270 nan 0.000 0.462 184 Q N 0.111 119.649 119.800 -0.437 0.000 2.172 184 Q HA 0.161 4.500 4.340 -0.002 0.000 0.217 184 Q C -0.544 175.392 176.000 -0.107 0.000 0.832 184 Q CA 0.109 55.822 55.803 -0.151 0.000 1.010 184 Q CB 0.941 29.539 28.738 -0.233 0.000 1.133 184 Q HN 0.049 nan 8.270 nan 0.000 0.489 185 K N 0.526 120.640 120.400 -0.478 0.000 2.292 185 K HA 0.411 4.730 4.320 -0.002 0.000 0.257 185 K C -1.498 174.746 176.600 -0.593 0.000 0.940 185 K CA -0.396 55.706 56.287 -0.308 0.000 0.811 185 K CB 1.340 33.713 32.500 -0.212 0.000 1.120 185 K HN -0.034 nan 8.250 nan 0.000 0.428 186 W N 3.675 124.942 121.300 -0.055 0.000 2.715 186 W HA 0.435 5.094 4.660 -0.001 0.000 0.331 186 W C -0.391 176.086 176.519 -0.071 0.000 1.031 186 W CA -0.496 56.798 57.345 -0.084 0.000 1.237 186 W CB 0.924 30.317 29.460 -0.112 0.000 1.378 186 W HN 0.265 nan 8.180 nan 0.000 0.454 187 I N 4.770 125.407 120.570 0.111 0.000 2.325 187 I HA 0.264 4.433 4.170 -0.002 0.000 0.291 187 I C 0.009 176.203 176.117 0.128 0.000 1.019 187 I CA -0.696 60.653 61.300 0.082 0.000 1.302 187 I CB 0.616 38.637 38.000 0.034 0.000 1.401 187 I HN 0.277 nan 8.210 nan 0.000 0.485 188 I N 7.032 127.669 120.570 0.112 0.000 2.325 188 I HA 0.181 4.350 4.170 -0.002 0.000 0.291 188 I C 0.027 176.298 176.117 0.257 0.000 1.019 188 I CA -0.162 61.227 61.300 0.149 0.000 1.302 188 I CB 0.537 38.546 38.000 0.015 0.000 1.401 188 I HN 0.467 nan 8.210 nan 0.000 0.485 189 E N 6.178 126.595 120.200 0.362 0.000 2.224 189 E HA 0.206 4.555 4.350 -0.002 0.000 0.265 189 E C -1.239 175.617 176.600 0.427 0.000 0.878 189 E CA -0.854 55.764 56.400 0.364 0.000 0.759 189 E CB 2.465 32.330 29.700 0.275 0.000 1.164 189 E HN 0.364 nan 8.360 nan 0.000 0.414 190 Y N 3.051 123.481 120.300 0.217 0.000 2.346 190 Y HA 0.158 4.707 4.550 -0.002 0.000 0.330 190 Y C 0.081 176.004 175.900 0.038 0.000 1.178 190 Y CA 0.114 58.149 58.100 -0.107 0.000 1.331 190 Y CB 0.691 39.112 38.460 -0.066 0.000 1.253 190 Y HN 0.356 nan 8.280 nan 0.000 0.529 191 N N 4.549 122.890 118.700 -0.599 0.000 2.354 191 N HA 0.114 4.853 4.740 -0.002 0.000 0.287 191 N C -0.012 175.057 175.510 -0.735 0.000 1.016 191 N CA -0.355 52.459 53.050 -0.393 0.000 0.871 191 N CB 1.391 39.829 38.487 -0.082 0.000 1.299 191 N HN 0.797 nan 8.380 nan 0.000 0.482 192 E N 1.796 121.786 120.200 -0.350 0.000 2.112 192 E HA -0.051 4.298 4.350 -0.002 0.000 0.190 192 E C 1.010 177.502 176.600 -0.180 0.000 0.979 192 E CA 1.261 57.547 56.400 -0.190 0.000 0.814 192 E CB -0.133 29.580 29.700 0.022 0.000 0.762 192 E HN 0.641 nan 8.360 nan 0.000 0.460 193 T N 1.681 116.125 114.554 -0.185 0.000 2.915 193 T HA -0.037 4.311 4.350 -0.002 0.000 0.269 193 T C 1.575 176.134 174.700 -0.236 0.000 1.071 193 T CA 0.907 62.902 62.100 -0.174 0.000 1.132 193 T CB 0.118 68.886 68.868 -0.166 0.000 0.878 193 T HN 0.010 nan 8.240 nan 0.000 0.479 194 K N 0.722 120.918 120.400 -0.341 0.000 2.354 194 K HA 0.299 4.618 4.320 -0.002 0.000 0.194 194 K C 0.796 177.240 176.600 -0.261 0.000 1.038 194 K CA 0.051 56.120 56.287 -0.364 0.000 1.052 194 K CB 0.386 32.513 32.500 -0.623 0.000 0.861 194 K HN 0.124 nan 8.250 nan 0.000 0.535 195 S N 0.787 116.294 115.700 -0.322 0.000 3.559 195 S HA -0.185 4.284 4.470 -0.002 0.000 0.369 195 S C -0.023 174.493 174.600 -0.140 0.000 0.987 195 S CA 0.706 58.776 58.200 -0.215 0.000 1.187 195 S CB -1.256 61.947 63.200 0.006 0.000 0.914 195 S HN 0.653 nan 8.310 nan 0.000 0.480 196 A N -0.235 122.382 122.820 -0.339 0.000 2.557 196 A HA 0.815 5.134 4.320 -0.002 0.000 0.292 196 A C -1.442 176.114 177.584 -0.048 0.000 1.139 196 A CA -0.858 51.176 52.037 -0.005 0.000 0.665 196 A CB 0.917 20.013 19.000 0.160 0.000 1.285 196 A HN 0.281 nan 8.150 nan 0.000 0.433 197 Y N 0.095 120.576 120.300 0.303 0.000 2.487 197 Y HA 0.602 5.150 4.550 -0.002 0.000 0.337 197 Y C 1.121 177.211 175.900 0.316 0.000 1.076 197 Y CA 0.118 58.403 58.100 0.307 0.000 1.115 197 Y CB 2.223 40.853 38.460 0.284 0.000 1.235 197 Y HN 0.783 nan 8.280 nan 0.000 0.468 198 T N 0.042 114.829 114.554 0.388 0.000 2.945 198 T HA 0.776 5.125 4.350 -0.002 0.000 0.286 198 T C -1.129 173.764 174.700 0.322 0.000 1.025 198 T CA -0.814 61.464 62.100 0.297 0.000 1.039 198 T CB 1.120 70.099 68.868 0.185 0.000 1.068 198 T HN 0.360 nan 8.240 nan 0.000 0.497 199 L N 1.634 123.026 121.223 0.280 0.000 2.404 199 L HA 0.540 4.879 4.340 -0.002 0.000 0.272 199 L C -0.068 176.998 176.870 0.328 0.000 0.980 199 L CA -0.516 54.445 54.840 0.202 0.000 0.836 199 L CB 1.948 43.948 42.059 -0.098 0.000 1.238 199 L HN 0.724 nan 8.230 nan 0.000 0.408 200 K N 2.479 123.003 120.400 0.207 0.000 2.265 200 K HA 0.398 4.717 4.320 -0.002 0.000 0.267 200 K C -0.627 175.891 176.600 -0.136 0.000 0.994 200 K CA -0.546 55.670 56.287 -0.118 0.000 0.860 200 K CB 1.257 33.545 32.500 -0.353 0.000 1.099 200 K HN 0.699 nan 8.250 nan 0.000 0.448 201 C N 4.355 123.455 119.300 -0.334 0.000 2.648 201 C HA 0.016 4.474 4.460 -0.002 0.000 0.415 201 C C 1.804 176.473 174.990 -0.535 0.000 1.366 201 C CA 0.044 58.551 59.018 -0.851 0.000 1.756 201 C CB -0.124 27.122 27.740 -0.824 0.000 2.549 201 C HN 1.036 nan 8.230 nan 0.000 0.597 202 Q N 2.175 121.655 119.800 -0.533 0.000 2.224 202 Q HA -0.145 4.193 4.340 -0.002 0.000 0.203 202 Q C 2.087 177.911 176.000 -0.294 0.000 0.970 202 Q CA 1.500 57.099 55.803 -0.339 0.000 0.865 202 Q CB -0.045 28.516 28.738 -0.296 0.000 0.922 202 Q HN 0.922 nan 8.270 nan 0.000 0.445 203 E N 1.000 120.995 120.200 -0.340 0.000 2.047 203 E HA -0.166 4.182 4.350 -0.002 0.000 0.191 203 E C 0.943 177.426 176.600 -0.195 0.000 0.987 203 E CA 1.526 57.773 56.400 -0.255 0.000 0.799 203 E CB 0.097 29.639 29.700 -0.263 0.000 0.752 203 E HN 0.548 nan 8.360 nan 0.000 0.449 204 N N -0.360 118.220 118.700 -0.201 0.000 2.177 204 N HA -0.009 4.730 4.740 -0.002 0.000 0.218 204 N C -0.265 175.157 175.510 -0.148 0.000 1.182 204 N CA -0.056 52.909 53.050 -0.142 0.000 0.882 204 N CB -0.091 38.334 38.487 -0.103 0.000 1.052 204 N HN -0.030 nan 8.380 nan 0.000 0.519 205 N N 0.313 118.891 118.700 -0.204 0.000 2.708 205 N HA -0.191 4.548 4.740 -0.002 0.000 0.249 205 N C -0.814 174.513 175.510 -0.305 0.000 1.097 205 N CA 0.743 53.651 53.050 -0.235 0.000 0.710 205 N CB -0.765 37.636 38.487 -0.144 0.000 1.032 205 N HN 0.599 nan 8.380 nan 0.000 0.551 206 R N -0.990 119.335 120.500 -0.291 0.000 2.919 206 R HA 0.567 4.906 4.340 -0.002 0.000 0.260 206 R C -0.645 175.528 176.300 -0.212 0.000 1.067 206 R CA -0.537 55.442 56.100 -0.201 0.000 1.003 206 R CB 1.000 31.310 30.300 0.017 0.000 1.192 206 R HN 0.031 nan 8.270 nan 0.000 0.488 207 Y N 0.361 120.763 120.300 0.170 0.000 2.409 207 Y HA 0.311 4.860 4.550 -0.002 0.000 0.339 207 Y C -0.161 175.919 175.900 0.300 0.000 1.033 207 Y CA -1.065 57.170 58.100 0.225 0.000 1.094 207 Y CB 1.196 39.745 38.460 0.148 0.000 1.210 207 Y HN 0.286 nan 8.280 nan 0.000 0.456 208 L N 3.422 124.903 121.223 0.430 0.000 2.654 208 L HA 0.148 4.487 4.340 -0.002 0.000 0.271 208 L C -0.376 176.813 176.870 0.531 0.000 1.169 208 L CA 1.094 56.097 54.840 0.271 0.000 0.947 208 L CB -0.639 41.279 42.059 -0.235 0.000 1.232 208 L HN 0.689 nan 8.230 nan 0.000 0.486 209 T N 4.525 119.369 114.554 0.482 0.000 2.971 209 T HA 0.149 4.498 4.350 -0.002 0.000 0.304 209 T C -1.266 173.690 174.700 0.427 0.000 1.038 209 T CA -0.430 61.932 62.100 0.438 0.000 1.007 209 T CB 0.739 69.788 68.868 0.303 0.000 1.055 209 T HN 0.517 nan 8.240 nan 0.000 0.451 210 W N 6.059 127.442 121.300 0.138 0.000 2.529 210 W HA 0.364 5.023 4.660 -0.001 0.000 0.319 210 W C -1.099 175.403 176.519 -0.028 0.000 1.362 210 W CA -1.593 55.792 57.345 0.067 0.000 1.348 210 W CB -0.215 29.219 29.460 -0.042 0.000 1.403 210 W HN 0.398 nan 8.180 nan 0.000 0.519 211 I N 7.033 127.765 120.570 0.269 0.000 2.291 211 I HA 0.076 4.245 4.170 -0.002 0.000 0.292 211 I C 0.351 176.412 176.117 -0.094 0.000 1.064 211 I CA -0.446 60.849 61.300 -0.008 0.000 1.269 211 I CB 0.510 38.551 38.000 0.068 0.000 1.418 211 I HN 0.286 nan 8.210 nan 0.000 0.485 212 Q N 6.607 126.182 119.800 -0.374 0.000 2.344 212 Q HA 0.229 4.568 4.340 -0.002 0.000 0.253 212 Q C -0.336 175.540 176.000 -0.208 0.000 1.050 212 Q CA -0.115 55.424 55.803 -0.440 0.000 0.912 212 Q CB 0.738 29.077 28.738 -0.664 0.000 1.258 212 Q HN 0.757 nan 8.270 nan 0.000 0.443 213 N N -1.318 117.314 118.700 -0.113 0.000 3.517 213 N HA 0.050 4.788 4.740 -0.002 0.000 0.329 213 N C 0.253 175.718 175.510 -0.075 0.000 1.569 213 N CA -0.189 52.802 53.050 -0.098 0.000 0.852 213 N CB -0.191 38.232 38.487 -0.107 0.000 1.955 213 N HN 0.163 nan 8.380 nan 0.000 0.555 214 S N -0.879 114.765 115.700 -0.094 0.000 2.419 214 S HA -0.106 4.363 4.470 -0.002 0.000 0.233 214 S C 0.900 175.413 174.600 -0.146 0.000 1.016 214 S CA 1.359 59.509 58.200 -0.084 0.000 0.974 214 S CB -0.964 62.192 63.200 -0.073 0.000 0.786 214 S HN 0.598 nan 8.310 nan 0.000 0.492 215 N N 1.470 119.986 118.700 -0.306 0.000 2.395 215 N HA 0.100 4.839 4.740 -0.002 0.000 0.175 215 N C -0.489 174.756 175.510 -0.442 0.000 1.029 215 N CA 0.307 52.996 53.050 -0.602 0.000 0.897 215 N CB -0.119 37.543 38.487 -1.375 0.000 0.991 215 N HN 0.226 nan 8.380 nan 0.000 0.441 216 N N 0.743 119.349 118.700 -0.157 0.000 2.725 216 N HA -0.192 4.547 4.740 -0.002 0.000 0.251 216 N C -1.320 174.317 175.510 0.212 0.000 1.031 216 N CA 0.874 54.046 53.050 0.203 0.000 0.720 216 N CB -1.284 37.376 38.487 0.289 0.000 0.930 216 N HN 0.307 nan 8.380 nan 0.000 0.543 217 Y N -0.311 120.077 120.300 0.146 0.000 2.336 217 Y HA 0.261 4.810 4.550 -0.002 0.000 0.331 217 Y C 1.349 177.388 175.900 0.232 0.000 1.211 217 Y CA -1.109 57.069 58.100 0.130 0.000 1.346 217 Y CB 0.505 39.011 38.460 0.078 0.000 1.271 217 Y HN 0.019 nan 8.280 nan 0.000 0.538 218 V N 0.066 120.208 119.914 0.380 0.000 2.567 218 V HA 0.653 4.772 4.120 -0.002 0.000 0.289 218 V C -0.385 175.877 176.094 0.281 0.000 1.049 218 V CA -0.907 61.588 62.300 0.325 0.000 0.969 218 V CB 1.283 33.237 31.823 0.219 0.000 0.995 218 V HN 0.818 nan 8.190 nan 0.000 0.471 219 E N 1.452 121.822 120.200 0.283 0.000 2.408 219 E HA 0.465 4.814 4.350 -0.002 0.000 0.275 219 E C -0.886 175.899 176.600 0.309 0.000 0.935 219 E CA -0.852 55.710 56.400 0.269 0.000 0.775 219 E CB 2.215 32.069 29.700 0.257 0.000 1.277 219 E HN 0.931 nan 8.360 nan 0.000 0.455 220 T N -0.675 114.059 114.554 0.300 0.000 2.870 220 T HA 0.347 4.696 4.350 -0.002 0.000 0.300 220 T C -0.695 174.215 174.700 0.350 0.000 0.989 220 T CA -0.211 62.075 62.100 0.309 0.000 1.139 220 T CB 0.289 69.276 68.868 0.199 0.000 0.920 220 T HN 0.459 nan 8.240 nan 0.000 0.537 221 Y N 2.073 122.501 120.300 0.213 0.000 2.588 221 Y HA 0.343 4.892 4.550 -0.002 0.000 0.343 221 Y C -0.269 175.763 175.900 0.220 0.000 1.065 221 Y CA -1.255 56.954 58.100 0.183 0.000 1.038 221 Y CB 1.713 40.276 38.460 0.171 0.000 1.297 221 Y HN 0.895 nan 8.280 nan 0.000 0.467 222 Q N 2.123 121.632 119.800 -0.485 0.000 2.474 222 Q HA 0.133 4.472 4.340 -0.002 0.000 0.256 222 Q C -0.049 175.889 176.000 -0.103 0.000 1.048 222 Q CA -0.040 55.616 55.803 -0.245 0.000 0.922 222 Q CB 0.773 29.301 28.738 -0.350 0.000 1.288 222 Q HN 0.681 nan 8.270 nan 0.000 0.484 223 S N 0.612 116.310 115.700 -0.005 0.000 2.575 223 S HA 0.094 4.563 4.470 -0.002 0.000 0.295 223 S C -0.385 174.157 174.600 -0.097 0.000 1.267 223 S CA 0.609 58.705 58.200 -0.174 0.000 1.074 223 S CB -0.232 62.903 63.200 -0.108 0.000 0.829 223 S HN 0.675 nan 8.310 nan 0.000 0.497 224 T N 2.638 117.153 114.554 -0.064 0.000 2.883 224 T HA 0.384 4.733 4.350 -0.002 0.000 0.301 224 T C -0.296 174.482 174.700 0.130 0.000 1.158 224 T CA -0.756 61.380 62.100 0.061 0.000 1.007 224 T CB 1.353 70.332 68.868 0.184 0.000 1.186 224 T HN 0.566 nan 8.240 nan 0.000 0.499 225 D N 1.273 121.747 120.400 0.123 0.000 2.339 225 D HA 0.150 4.789 4.640 -0.002 0.000 0.217 225 D C 0.762 177.131 176.300 0.115 0.000 1.050 225 D CA 0.307 54.378 54.000 0.118 0.000 0.856 225 D CB 0.380 41.192 40.800 0.020 0.000 0.922 225 D HN 0.392 nan 8.370 nan 0.000 0.518 226 S N 0.317 116.105 115.700 0.147 0.000 2.564 226 S HA 0.119 4.588 4.470 -0.002 0.000 0.278 226 S C 1.614 176.316 174.600 0.170 0.000 1.333 226 S CA -0.575 57.681 58.200 0.093 0.000 1.048 226 S CB 0.665 63.899 63.200 0.056 0.000 0.900 226 S HN 0.074 nan 8.310 nan 0.000 0.505 227 L N 5.114 126.377 121.223 0.066 0.000 2.265 227 L HA -0.102 4.237 4.340 -0.002 0.000 0.215 227 L C 2.169 179.088 176.870 0.081 0.000 1.117 227 L CA 1.068 55.957 54.840 0.081 0.000 0.782 227 L CB -0.815 41.235 42.059 -0.016 0.000 0.914 227 L HN 0.807 nan 8.230 nan 0.000 0.441 228 I N -2.465 118.114 120.570 0.015 0.000 2.657 228 I HA -0.278 3.891 4.170 -0.002 0.000 0.261 228 I C 2.199 178.274 176.117 -0.070 0.000 1.212 228 I CA 1.352 62.635 61.300 -0.029 0.000 1.453 228 I CB -0.418 37.528 38.000 -0.090 0.000 1.092 228 I HN 0.329 nan 8.210 nan 0.000 0.452 229 Q N -0.117 119.673 119.800 -0.016 0.000 2.360 229 Q HA 0.148 4.486 4.340 -0.002 0.000 0.202 229 Q C -0.606 175.175 176.000 -0.365 0.000 0.915 229 Q CA 0.018 55.755 55.803 -0.111 0.000 0.943 229 Q CB 0.299 28.911 28.738 -0.210 0.000 1.064 229 Q HN 0.611 nan 8.270 nan 0.000 0.511 230 Y N -1.051 119.102 120.300 -0.245 0.000 2.409 230 Y HA 0.409 4.958 4.550 -0.002 0.000 0.339 230 Y C -1.098 174.569 175.900 -0.387 0.000 1.033 230 Y CA -0.953 57.065 58.100 -0.136 0.000 1.094 230 Y CB 1.083 39.500 38.460 -0.071 0.000 1.210 230 Y HN 0.004 nan 8.280 nan 0.000 0.456 231 W N 1.321 122.775 121.300 0.256 0.000 2.883 231 W HA 0.452 5.110 4.660 -0.003 0.000 0.335 231 W C -1.085 175.612 176.519 0.296 0.000 1.083 231 W CA -0.887 56.585 57.345 0.212 0.000 1.233 231 W CB 1.117 30.636 29.460 0.098 0.000 1.412 231 W HN 0.403 nan 8.180 nan 0.000 0.490 232 N N 2.769 121.760 118.700 0.484 0.000 2.422 232 N HA 0.453 5.191 4.740 -0.002 0.000 0.264 232 N C -0.782 174.986 175.510 0.430 0.000 1.063 232 N CA -0.325 52.997 53.050 0.453 0.000 0.959 232 N CB 0.967 39.655 38.487 0.335 0.000 1.087 232 N HN 0.234 nan 8.380 nan 0.000 0.483 233 I N 2.160 122.932 120.570 0.338 0.000 2.312 233 I HA 0.309 4.478 4.170 -0.002 0.000 0.290 233 I C -0.167 176.028 176.117 0.129 0.000 1.008 233 I CA -0.510 60.863 61.300 0.122 0.000 1.226 233 I CB 0.771 38.631 38.000 -0.233 0.000 1.371 233 I HN 0.530 nan 8.210 nan 0.000 0.468 234 N N 4.405 123.212 118.700 0.178 0.000 2.455 234 N HA 0.390 5.129 4.740 -0.002 0.000 0.278 234 N C -1.193 174.359 175.510 0.069 0.000 1.291 234 N CA -0.609 52.488 53.050 0.077 0.000 0.780 234 N CB 1.748 40.349 38.487 0.190 0.000 1.520 234 N HN 0.138 nan 8.380 nan 0.000 0.486 235 Y N 0.683 121.006 120.300 0.038 0.000 2.397 235 Y HA 0.184 4.733 4.550 -0.001 0.000 0.335 235 Y C 0.890 176.786 175.900 -0.005 0.000 1.213 235 Y CA -0.342 57.689 58.100 -0.116 0.000 1.391 235 Y CB 0.340 38.692 38.460 -0.179 0.000 1.293 235 Y HN 0.340 nan 8.280 nan 0.000 0.557 236 L N 2.446 123.760 121.223 0.152 0.000 2.543 236 L HA -0.106 4.233 4.340 -0.002 0.000 0.285 236 L C 1.340 178.276 176.870 0.111 0.000 1.236 236 L CA 0.376 55.293 54.840 0.129 0.000 0.871 236 L CB 0.004 42.099 42.059 0.060 0.000 1.121 236 L HN 0.776 nan 8.230 nan 0.000 0.501 237 D N 2.161 122.641 120.400 0.134 0.000 2.191 237 D HA -0.239 4.399 4.640 -0.002 0.000 0.195 237 D C 0.827 177.159 176.300 0.053 0.000 1.003 237 D CA 2.038 56.105 54.000 0.111 0.000 0.867 237 D CB 0.159 41.035 40.800 0.128 0.000 0.926 237 D HN 0.707 nan 8.370 nan 0.000 0.450 238 N N -0.661 118.048 118.700 0.016 0.000 2.466 238 N HA 0.124 4.863 4.740 -0.002 0.000 0.272 238 N C -1.929 173.531 175.510 -0.083 0.000 1.455 238 N CA -0.279 52.752 53.050 -0.033 0.000 0.875 238 N CB 0.690 39.165 38.487 -0.021 0.000 1.372 238 N HN -0.090 nan 8.380 nan 0.000 0.492 239 D N -0.352 119.984 120.400 -0.108 0.000 2.613 239 D HA 0.296 4.935 4.640 -0.002 0.000 0.230 239 D C -0.285 175.839 176.300 -0.293 0.000 1.365 239 D CA -0.375 53.526 54.000 -0.165 0.000 0.976 239 D CB 1.320 42.056 40.800 -0.106 0.000 1.415 239 D HN 0.098 nan 8.370 nan 0.000 0.589 240 A N 2.280 124.818 122.820 -0.470 0.000 2.278 240 A HA 0.092 4.411 4.320 -0.002 0.000 0.212 240 A C 1.519 178.717 177.584 -0.643 0.000 1.213 240 A CA 0.808 52.276 52.037 -0.947 0.000 0.840 240 A CB -0.119 18.287 19.000 -0.990 0.000 0.866 240 A HN 0.433 nan 8.150 nan 0.000 0.489 241 S N -0.923 114.572 115.700 -0.342 0.000 2.503 241 S HA 0.223 4.692 4.470 -0.002 0.000 0.215 241 S C 0.583 175.100 174.600 -0.138 0.000 1.003 241 S CA -0.125 57.966 58.200 -0.182 0.000 0.910 241 S CB 0.131 63.267 63.200 -0.108 0.000 0.790 241 S HN 0.464 nan 8.310 nan 0.000 0.514 242 K N 0.196 120.474 120.400 -0.203 0.000 2.328 242 K HA 0.616 4.934 4.320 -0.002 0.000 0.246 242 K C -1.815 174.699 176.600 -0.142 0.000 0.955 242 K CA -0.706 55.538 56.287 -0.071 0.000 0.817 242 K CB 1.622 34.110 32.500 -0.020 0.000 1.208 242 K HN 0.133 nan 8.250 nan 0.000 0.432 243 Y N 0.481 120.884 120.300 0.171 0.000 2.536 243 Y HA 0.543 5.093 4.550 -0.001 0.000 0.347 243 Y C -0.163 175.848 175.900 0.186 0.000 1.000 243 Y CA -0.967 57.234 58.100 0.169 0.000 1.051 243 Y CB 1.566 40.090 38.460 0.105 0.000 1.259 243 Y HN 0.277 nan 8.280 nan 0.000 0.468 244 I N 2.978 123.729 120.570 0.303 0.000 2.569 244 I HA 0.390 4.559 4.170 -0.002 0.000 0.296 244 I C -1.402 174.765 176.117 0.083 0.000 1.028 244 I CA -0.887 60.517 61.300 0.172 0.000 1.082 244 I CB 1.893 39.933 38.000 0.067 0.000 1.264 244 I HN 0.308 nan 8.210 nan 0.000 0.429 245 L N 6.681 127.893 121.223 -0.019 0.000 2.318 245 L HA 0.406 4.745 4.340 -0.002 0.000 0.277 245 L C -0.967 175.975 176.870 0.120 0.000 1.008 245 L CA -0.192 54.677 54.840 0.048 0.000 0.846 245 L CB 0.608 42.568 42.059 -0.164 0.000 1.220 245 L HN 0.318 nan 8.230 nan 0.000 0.423 246 Y N 1.761 122.235 120.300 0.290 0.000 2.304 246 Y HA 0.268 4.816 4.550 -0.003 0.000 0.328 246 Y C 0.906 176.913 175.900 0.178 0.000 1.123 246 Y CA -0.221 58.004 58.100 0.209 0.000 1.218 246 Y CB 0.822 39.351 38.460 0.115 0.000 1.207 246 Y HN 0.513 nan 8.280 nan 0.000 0.495 247 N N 2.695 121.446 118.700 0.085 0.000 2.499 247 N HA 0.007 4.746 4.740 -0.002 0.000 0.281 247 N C 0.504 175.960 175.510 -0.090 0.000 1.098 247 N CA -0.168 52.671 53.050 -0.351 0.000 0.979 247 N CB 1.183 39.334 38.487 -0.560 0.000 1.121 247 N HN 0.700 nan 8.380 nan 0.000 0.466 248 L N 3.858 125.005 121.223 -0.127 0.000 2.275 248 L HA -0.068 4.271 4.340 -0.002 0.000 0.215 248 L C 2.235 179.116 176.870 0.019 0.000 1.119 248 L CA 1.506 56.340 54.840 -0.010 0.000 0.790 248 L CB -0.727 41.333 42.059 0.002 0.000 0.919 248 L HN 0.678 nan 8.230 nan 0.000 0.443 249 Q N -0.170 119.661 119.800 0.052 0.000 2.226 249 Q HA -0.122 4.217 4.340 -0.002 0.000 0.204 249 Q C -0.147 175.944 176.000 0.152 0.000 0.975 249 Q CA 1.369 57.224 55.803 0.087 0.000 0.866 249 Q CB 0.034 28.820 28.738 0.079 0.000 0.915 249 Q HN 0.449 nan 8.270 nan 0.000 0.440 250 D N -1.709 118.820 120.400 0.215 0.000 2.312 250 D HA 0.042 4.681 4.640 -0.002 0.000 0.229 250 D C -0.398 175.987 176.300 0.140 0.000 1.337 250 D CA 0.370 54.485 54.000 0.191 0.000 0.964 250 D CB 0.581 41.571 40.800 0.316 0.000 1.456 250 D HN 0.138 nan 8.370 nan 0.000 0.547 251 T N 0.287 114.899 114.554 0.096 0.000 3.215 251 T HA 0.039 4.388 4.350 -0.002 0.000 0.254 251 T C 0.908 175.684 174.700 0.127 0.000 1.149 251 T CA 0.314 62.470 62.100 0.093 0.000 1.042 251 T CB -0.400 68.453 68.868 -0.025 0.000 0.966 251 T HN 0.240 nan 8.240 nan 0.000 0.534 252 N N 0.590 119.367 118.700 0.129 0.000 2.353 252 N HA 0.106 4.845 4.740 -0.002 0.000 0.185 252 N C 0.250 175.866 175.510 0.177 0.000 1.098 252 N CA -0.045 53.097 53.050 0.153 0.000 0.872 252 N CB 0.311 38.859 38.487 0.103 0.000 0.970 252 N HN 0.184 nan 8.380 nan 0.000 0.467 253 R N 1.070 121.649 120.500 0.131 0.000 2.604 253 R HA 0.536 4.875 4.340 -0.002 0.000 0.287 253 R C -0.378 175.922 176.300 0.000 0.000 0.970 253 R CA -0.705 55.387 56.100 -0.012 0.000 0.946 253 R CB 1.622 31.779 30.300 -0.238 0.000 1.127 253 R HN -0.106 nan 8.270 nan 0.000 0.473 254 V N -0.993 118.888 119.914 -0.054 0.000 3.130 254 V HA 0.485 4.604 4.120 -0.002 0.000 0.310 254 V C -0.499 175.626 176.094 0.051 0.000 1.158 254 V CA -1.382 60.907 62.300 -0.018 0.000 1.029 254 V CB 1.970 33.735 31.823 -0.097 0.000 1.057 254 V HN 0.564 nan 8.190 nan 0.000 0.436 255 L N 2.454 123.754 121.223 0.128 0.000 2.462 255 L HA 0.600 4.939 4.340 -0.002 0.000 0.272 255 L C -0.341 176.714 176.870 0.308 0.000 1.166 255 L CA 1.181 56.070 54.840 0.082 0.000 0.880 255 L CB -0.037 41.809 42.059 -0.355 0.000 1.142 255 L HN 1.076 nan 8.230 nan 0.000 0.473 256 D N 3.171 123.740 120.400 0.282 0.000 2.934 256 D HA 0.373 5.011 4.640 -0.002 0.000 0.230 256 D C -1.412 175.045 176.300 0.262 0.000 1.204 256 D CA -0.540 53.605 54.000 0.241 0.000 0.873 256 D CB 1.791 42.662 40.800 0.120 0.000 1.645 256 D HN 0.271 nan 8.370 nan 0.000 0.502 257 V N 4.400 124.408 119.914 0.158 0.000 2.455 257 V HA 0.109 4.228 4.120 -0.002 0.000 0.273 257 V C -0.172 176.015 176.094 0.156 0.000 1.045 257 V CA -0.480 61.904 62.300 0.139 0.000 0.976 257 V CB 0.305 32.108 31.823 -0.033 0.000 0.993 257 V HN 0.588 nan 8.190 nan 0.000 0.475 258 Y N 6.015 126.383 120.300 0.115 0.000 2.729 258 Y HA -0.029 4.520 4.550 -0.002 0.000 0.331 258 Y C 1.288 177.231 175.900 0.072 0.000 1.208 258 Y CA 0.480 58.651 58.100 0.119 0.000 1.521 258 Y CB -0.628 37.949 38.460 0.195 0.000 1.233 258 Y HN 0.905 nan 8.280 nan 0.000 0.539 259 N N 2.966 121.402 118.700 -0.439 0.000 2.681 259 N HA -0.316 4.423 4.740 -0.002 0.000 0.250 259 N C 0.052 175.445 175.510 -0.195 0.000 1.133 259 N CA 0.731 53.539 53.050 -0.404 0.000 0.732 259 N CB -0.878 37.241 38.487 -0.612 0.000 1.107 259 N HN 0.714 nan 8.380 nan 0.000 0.559 260 S N -1.756 113.870 115.700 -0.122 0.000 3.419 260 S HA -0.266 4.203 4.470 -0.002 0.000 0.350 260 S C 0.302 174.847 174.600 -0.093 0.000 1.128 260 S CA 1.033 59.171 58.200 -0.104 0.000 0.999 260 S CB -0.659 62.474 63.200 -0.112 0.000 0.923 260 S HN 0.449 nan 8.310 nan 0.000 0.522 261 Q N 0.181 119.940 119.800 -0.069 0.000 2.394 261 Q HA 0.368 4.707 4.340 -0.002 0.000 0.248 261 Q C 1.685 177.655 176.000 -0.050 0.000 0.992 261 Q CA 0.273 56.048 55.803 -0.047 0.000 0.888 261 Q CB 0.374 29.110 28.738 -0.004 0.000 1.257 261 Q HN 0.760 nan 8.270 nan 0.000 0.462 262 I N -2.338 118.194 120.570 -0.064 0.000 4.139 262 I HA 0.345 4.514 4.170 -0.002 0.000 0.335 262 I C 0.573 176.635 176.117 -0.091 0.000 1.327 262 I CA -0.419 60.833 61.300 -0.079 0.000 1.112 262 I CB 0.469 38.415 38.000 -0.090 0.000 1.058 262 I HN 0.310 nan 8.210 nan 0.000 0.396 263 A N 2.335 125.101 122.820 -0.090 0.000 2.498 263 A HA 0.186 4.504 4.320 -0.002 0.000 0.239 263 A C 0.099 177.554 177.584 -0.215 0.000 1.068 263 A CA -0.126 51.827 52.037 -0.140 0.000 0.766 263 A CB -0.150 18.788 19.000 -0.103 0.000 1.003 263 A HN 0.473 nan 8.150 nan 0.000 0.497 264 N N 0.715 119.164 118.700 -0.419 0.000 2.294 264 N HA 0.163 4.902 4.740 -0.002 0.000 0.263 264 N C 1.292 176.511 175.510 -0.484 0.000 1.281 264 N CA 1.870 54.420 53.050 -0.833 0.000 0.846 264 N CB 0.547 38.012 38.487 -1.703 0.000 1.061 264 N HN 1.294 nan 8.380 nan 0.000 0.478 265 G N 1.192 109.936 108.800 -0.093 0.000 2.195 265 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.246 265 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.246 265 G C 0.226 175.110 174.900 -0.026 0.000 0.984 265 G CA 0.309 45.492 45.100 0.138 0.000 0.633 265 G HN 0.632 nan 8.290 nan 0.000 0.525 266 T N 3.095 117.645 114.554 -0.007 0.000 2.905 266 T HA 0.252 4.601 4.350 -0.002 0.000 0.299 266 T C 0.542 175.271 174.700 0.049 0.000 1.024 266 T CA 0.084 62.212 62.100 0.046 0.000 1.151 266 T CB 0.293 69.212 68.868 0.085 0.000 0.987 266 T HN 0.308 nan 8.240 nan 0.000 0.535 267 H N 1.730 120.869 119.070 0.115 0.000 2.928 267 H HA 0.152 4.706 4.556 -0.002 0.000 0.338 267 H C 0.083 175.505 175.328 0.156 0.000 1.047 267 H CA 0.028 56.096 56.048 0.034 0.000 1.435 267 H CB 0.534 30.227 29.762 -0.114 0.000 1.428 267 H HN 0.239 nan 8.280 nan 0.000 0.590 268 V N 6.129 126.203 119.914 0.267 0.000 2.427 268 V HA 0.289 4.408 4.120 -0.002 0.000 0.286 268 V C 0.814 177.067 176.094 0.266 0.000 1.034 268 V CA -0.351 62.109 62.300 0.268 0.000 0.893 268 V CB 1.198 33.148 31.823 0.212 0.000 0.982 268 V HN 0.590 nan 8.190 nan 0.000 0.452 269 I N 2.158 122.878 120.570 0.250 0.000 3.322 269 I HA 0.785 4.953 4.170 -0.002 0.000 0.313 269 I C -1.108 175.050 176.117 0.068 0.000 1.129 269 I CA -1.130 60.295 61.300 0.208 0.000 0.963 269 I CB 2.405 40.544 38.000 0.232 0.000 1.273 269 I HN 0.221 nan 8.210 nan 0.000 0.473 270 V N 1.932 121.772 119.914 -0.124 0.000 2.370 270 V HA 0.499 4.618 4.120 -0.002 0.000 0.283 270 V C -0.999 174.911 176.094 -0.307 0.000 1.023 270 V CA 0.083 62.141 62.300 -0.404 0.000 0.857 270 V CB 1.144 32.191 31.823 -1.293 0.000 0.985 270 V HN 0.763 nan 8.190 nan 0.000 0.443 271 D N 2.136 122.429 120.400 -0.179 0.000 2.581 271 D HA 0.448 5.087 4.640 -0.002 0.000 0.232 271 D C -0.289 175.951 176.300 -0.101 0.000 1.143 271 D CA -0.306 53.647 54.000 -0.079 0.000 0.881 271 D CB 2.414 43.219 40.800 0.008 0.000 1.500 271 D HN 0.418 nan 8.370 nan 0.000 0.458 272 S N 1.062 116.709 115.700 -0.090 0.000 2.552 272 S HA 0.002 4.471 4.470 -0.002 0.000 0.289 272 S C -0.327 174.085 174.600 -0.313 0.000 1.304 272 S CA -0.150 57.965 58.200 -0.142 0.000 1.063 272 S CB -0.103 63.017 63.200 -0.133 0.000 0.848 272 S HN 0.382 nan 8.310 nan 0.000 0.499 273 Y N 3.564 123.705 120.300 -0.266 0.000 2.620 273 Y HA 0.003 4.551 4.550 -0.003 0.000 0.330 273 Y C 1.171 176.823 175.900 -0.412 0.000 1.186 273 Y CA 0.806 58.774 58.100 -0.220 0.000 1.467 273 Y CB 0.273 38.746 38.460 0.021 0.000 1.262 273 Y HN 0.768 nan 8.280 nan 0.000 0.550 274 H N 3.482 122.130 119.070 -0.703 0.000 3.622 274 H HA 0.188 4.742 4.556 -0.002 0.000 0.259 274 H C 1.615 176.445 175.328 -0.830 0.000 1.145 274 H CA 0.330 56.023 56.048 -0.591 0.000 1.178 274 H CB 0.869 30.476 29.762 -0.258 0.000 1.542 274 H HN 0.963 nan 8.280 nan 0.000 0.586 275 G N 1.778 109.924 108.800 -1.090 0.000 2.162 275 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.260 275 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.260 275 G C 0.233 175.010 174.900 -0.204 0.000 0.976 275 G CA 0.306 45.097 45.100 -0.515 0.000 0.655 275 G HN 0.273 nan 8.290 nan 0.000 0.533 276 N N 0.251 118.842 118.700 -0.182 0.000 2.326 276 N HA 0.319 5.058 4.740 -0.002 0.000 0.239 276 N C 2.004 177.433 175.510 -0.135 0.000 1.301 276 N CA 0.708 53.684 53.050 -0.123 0.000 0.909 276 N CB 0.279 38.707 38.487 -0.098 0.000 1.156 276 N HN 0.399 nan 8.380 nan 0.000 0.462 277 T N -2.086 112.386 114.554 -0.137 0.000 2.881 277 T HA -0.170 4.179 4.350 -0.002 0.000 0.270 277 T C 1.099 175.650 174.700 -0.249 0.000 1.068 277 T CA 1.036 63.032 62.100 -0.173 0.000 1.131 277 T CB -0.320 68.455 68.868 -0.155 0.000 0.871 277 T HN 0.603 nan 8.240 nan 0.000 0.479 278 N N 1.493 120.065 118.700 -0.214 0.000 2.521 278 N HA -0.078 4.661 4.740 -0.002 0.000 0.188 278 N C 1.178 176.531 175.510 -0.261 0.000 1.146 278 N CA 0.406 53.308 53.050 -0.247 0.000 0.893 278 N CB -0.328 38.074 38.487 -0.142 0.000 0.975 278 N HN 0.609 nan 8.380 nan 0.000 0.451 279 Q N -0.408 119.263 119.800 -0.215 0.000 2.159 279 Q HA 0.226 4.565 4.340 -0.002 0.000 0.217 279 Q C -0.493 175.447 176.000 -0.101 0.000 0.818 279 Q CA -0.135 55.619 55.803 -0.082 0.000 1.008 279 Q CB 0.776 29.484 28.738 -0.050 0.000 1.148 279 Q HN 0.439 nan 8.270 nan 0.000 0.491 280 Q N 0.083 119.675 119.800 -0.347 0.000 2.316 280 Q HA 0.401 4.740 4.340 -0.002 0.000 0.264 280 Q C -1.427 174.289 176.000 -0.474 0.000 0.987 280 Q CA -0.350 55.323 55.803 -0.217 0.000 0.852 280 Q CB 1.436 30.086 28.738 -0.147 0.000 1.287 280 Q HN 0.099 nan 8.270 nan 0.000 0.448 281 W N 2.371 123.683 121.300 0.021 0.000 2.844 281 W HA 0.575 5.234 4.660 -0.002 0.000 0.340 281 W C -0.665 175.921 176.519 0.111 0.000 1.093 281 W CA -0.483 56.867 57.345 0.008 0.000 1.212 281 W CB 1.160 30.590 29.460 -0.050 0.000 1.422 281 W HN 0.391 nan 8.180 nan 0.000 0.515 282 I N 4.083 124.814 120.570 0.268 0.000 2.339 282 I HA 0.366 4.535 4.170 -0.002 0.000 0.290 282 I C -0.373 175.855 176.117 0.185 0.000 0.994 282 I CA -0.734 60.711 61.300 0.242 0.000 1.191 282 I CB 0.626 38.684 38.000 0.096 0.000 1.343 282 I HN 0.182 nan 8.210 nan 0.000 0.458 283 I N 6.620 127.269 120.570 0.132 0.000 2.378 283 I HA 0.402 4.571 4.170 -0.002 0.000 0.291 283 I C -0.401 175.722 176.117 0.009 0.000 0.992 283 I CA -0.555 60.692 61.300 -0.088 0.000 1.154 283 I CB 1.255 38.931 38.000 -0.540 0.000 1.315 283 I HN 0.547 nan 8.210 nan 0.000 0.448 284 N N 5.281 123.991 118.700 0.018 0.000 2.229 284 N HA 0.442 5.181 4.740 -0.002 0.000 0.298 284 N C -1.007 174.501 175.510 -0.002 0.000 1.114 284 N CA -0.727 52.336 53.050 0.021 0.000 0.776 284 N CB 2.614 41.114 38.487 0.021 0.000 1.501 284 N HN 0.233 nan 8.380 nan 0.000 0.474 285 L N 2.082 123.305 121.223 -0.000 0.000 2.485 285 L HA 0.180 4.518 4.340 -0.002 0.000 0.275 285 L C 1.115 177.977 176.870 -0.014 0.000 1.207 285 L CA 0.158 54.997 54.840 -0.002 0.000 0.855 285 L CB 0.008 42.071 42.059 0.005 0.000 1.114 285 L HN 0.406 nan 8.230 nan 0.000 0.485 286 I N 0.000 120.568 120.570 -0.003 0.000 2.984 286 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 286 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 286 I CB 0.000 38.025 38.000 0.042 0.000 1.214 286 I HN 0.000 nan 8.210 nan 0.000 0.494