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 1x01_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGRLN DATA SEQUENCE RKWESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK KIAGVLVEGK GDKIVLGIGL NVNNKVPNGA TSMKLELGSE DATA SEQUENCE VPLLSVFRSL ITNLDRLYLN FLKNPMDILN LVRDNMILGV RVKILGDGSF DATA SEQUENCE EGIAEDIDDF GRLIIRLDSG EVKKVIYGDV SLRFL 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 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 L N 1.930 123.155 121.223 0.003 0.000 2.240 2 L HA 0.311 4.657 4.340 0.011 0.000 0.211 2 L C 1.501 178.394 176.870 0.038 0.000 1.106 2 L CA 1.316 56.169 54.840 0.021 0.000 0.793 2 L CB -0.588 41.501 42.059 0.049 0.000 0.927 2 L HN 0.763 nan 8.230 nan 0.000 0.446 3 G N 1.294 110.113 108.800 0.033 0.000 2.273 3 G HA2 -0.270 3.696 3.960 0.011 0.000 0.280 3 G HA3 -0.270 3.696 3.960 0.011 0.000 0.280 3 G C 0.148 175.073 174.900 0.041 0.000 1.047 3 G CA -0.153 44.966 45.100 0.031 0.000 0.869 3 G HN 0.212 nan 8.290 nan 0.000 0.502 4 L N -0.688 120.568 121.223 0.054 0.000 2.439 4 L HA 0.313 4.660 4.340 0.011 0.000 0.269 4 L C 1.214 178.107 176.870 0.038 0.000 1.179 4 L CA -0.142 54.731 54.840 0.055 0.000 0.828 4 L CB 0.645 42.749 42.059 0.075 0.000 1.106 4 L HN -0.019 nan 8.230 nan 0.000 0.467 5 K N 0.779 121.197 120.400 0.028 0.000 2.438 5 K HA 0.147 4.473 4.320 0.011 0.000 0.205 5 K C 0.401 177.015 176.600 0.023 0.000 1.033 5 K CA -0.044 56.257 56.287 0.023 0.000 1.089 5 K CB 0.392 32.903 32.500 0.018 0.000 0.857 5 K HN 0.743 nan 8.250 nan 0.000 0.522 6 T N -1.780 112.788 114.554 0.023 0.000 2.860 6 T HA 0.178 4.534 4.350 0.011 0.000 0.299 6 T C 1.390 176.113 174.700 0.037 0.000 1.045 6 T CA -0.229 61.887 62.100 0.026 0.000 1.071 6 T CB 1.397 70.275 68.868 0.017 0.000 0.985 6 T HN -0.109 nan 8.240 nan 0.000 0.537 7 S N 0.667 116.395 115.700 0.047 0.000 2.348 7 S HA 0.133 4.610 4.470 0.011 0.000 0.219 7 S C 1.629 176.271 174.600 0.070 0.000 1.033 7 S CA 0.530 58.763 58.200 0.055 0.000 0.974 7 S CB -0.329 62.906 63.200 0.057 0.000 0.868 7 S HN 0.719 nan 8.310 nan 0.000 0.459 8 I N -0.249 120.376 120.570 0.092 0.000 3.650 8 I HA 0.262 4.438 4.170 0.011 0.000 0.261 8 I C -0.245 175.910 176.117 0.064 0.000 1.154 8 I CA 0.056 61.419 61.300 0.105 0.000 1.418 8 I CB 0.265 38.383 38.000 0.197 0.000 1.539 8 I HN 0.037 nan 8.210 nan 0.000 0.449 9 I N 2.711 123.308 120.570 0.045 0.000 2.505 9 I HA 0.156 4.333 4.170 0.011 0.000 0.287 9 I C 0.976 177.092 176.117 -0.002 0.000 1.104 9 I CA 0.671 61.961 61.300 -0.016 0.000 1.387 9 I CB 0.213 38.174 38.000 -0.064 0.000 1.404 9 I HN 0.549 nan 8.210 nan 0.000 0.528 10 G N 5.127 113.940 108.800 0.022 0.000 2.148 10 G HA2 -0.230 3.736 3.960 0.011 0.000 0.203 10 G HA3 -0.230 3.736 3.960 0.011 0.000 0.203 10 G C 1.029 175.971 174.900 0.070 0.000 0.993 10 G CA -0.274 44.861 45.100 0.057 0.000 0.661 10 G HN 0.648 nan 8.290 nan 0.000 0.518 11 R N -0.468 120.068 120.500 0.060 0.000 2.120 11 R HA 0.065 4.411 4.340 0.011 0.000 0.234 11 R C 1.220 177.559 176.300 0.066 0.000 1.123 11 R CA 1.159 57.295 56.100 0.059 0.000 0.975 11 R CB 0.032 30.366 30.300 0.056 0.000 0.866 11 R HN 0.416 nan 8.270 nan 0.000 0.446 12 R N -0.441 120.105 120.500 0.078 0.000 2.725 12 R HA 0.479 4.826 4.340 0.011 0.000 0.277 12 R C -1.533 174.835 176.300 0.114 0.000 0.987 12 R CA -0.715 55.437 56.100 0.086 0.000 0.901 12 R CB 2.935 33.285 30.300 0.082 0.000 1.207 12 R HN -0.172 nan 8.270 nan 0.000 0.463 13 V N 3.452 123.436 119.914 0.117 0.000 2.733 13 V HA 0.488 4.615 4.120 0.011 0.000 0.306 13 V C -0.614 175.548 176.094 0.113 0.000 1.084 13 V CA -0.689 61.701 62.300 0.149 0.000 0.905 13 V CB 2.303 34.232 31.823 0.177 0.000 1.010 13 V HN 0.607 nan 8.190 nan 0.000 0.424 14 I N 4.855 125.509 120.570 0.140 0.000 2.382 14 I HA 0.418 4.594 4.170 0.011 0.000 0.286 14 I C -1.078 175.109 176.117 0.117 0.000 1.002 14 I CA -0.654 60.689 61.300 0.072 0.000 1.135 14 I CB 1.355 39.423 38.000 0.113 0.000 1.288 14 I HN 0.719 nan 8.210 nan 0.000 0.448 15 Y N 7.730 127.950 120.300 -0.133 0.000 2.342 15 Y HA 0.655 5.211 4.550 0.009 0.000 0.334 15 Y C -1.604 174.181 175.900 -0.191 0.000 1.067 15 Y CA -0.685 57.379 58.100 -0.060 0.000 1.128 15 Y CB 1.066 39.457 38.460 -0.116 0.000 1.200 15 Y HN 0.302 nan 8.280 nan 0.000 0.464 16 F N 4.015 123.331 119.950 -1.057 0.000 2.540 16 F HA 0.362 4.895 4.527 0.010 0.000 0.317 16 F C 0.940 176.095 175.800 -1.074 0.000 1.104 16 F CA -0.837 56.618 58.000 -0.907 0.000 0.913 16 F CB 2.275 40.980 39.000 -0.492 0.000 1.170 16 F HN 0.598 nan 8.300 nan 0.000 0.450 17 Q N 0.650 120.126 119.800 -0.540 0.000 2.167 17 Q HA -0.083 4.264 4.340 0.011 0.000 0.202 17 Q C 0.140 176.094 176.000 -0.076 0.000 0.970 17 Q CA 1.348 57.027 55.803 -0.208 0.000 0.855 17 Q CB 0.480 29.194 28.738 -0.040 0.000 0.911 17 Q HN 0.695 nan 8.270 nan 0.000 0.438 18 E N -0.582 119.588 120.200 -0.050 0.000 2.375 18 E HA 0.548 4.904 4.350 0.011 0.000 0.280 18 E C -1.888 174.681 176.600 -0.051 0.000 0.972 18 E CA -0.390 55.993 56.400 -0.028 0.000 0.782 18 E CB 1.764 31.457 29.700 -0.012 0.000 1.229 18 E HN 0.072 nan 8.360 nan 0.000 0.439 19 I N 1.657 122.147 120.570 -0.132 0.000 3.066 19 I HA 0.220 4.397 4.170 0.011 0.000 0.307 19 I C 1.059 177.076 176.117 -0.167 0.000 1.366 19 I CA -0.275 60.883 61.300 -0.237 0.000 0.972 19 I CB 2.231 39.865 38.000 -0.610 0.000 1.307 19 I HN 0.843 nan 8.210 nan 0.000 0.470 20 T N 0.652 115.126 114.554 -0.134 0.000 2.701 20 T HA 0.022 4.378 4.350 0.011 0.000 0.263 20 T C 0.647 175.284 174.700 -0.104 0.000 1.040 20 T CA 1.023 63.076 62.100 -0.079 0.000 1.147 20 T CB -0.183 68.667 68.868 -0.029 0.000 0.865 20 T HN 0.573 nan 8.240 nan 0.000 0.426 21 S N 0.180 115.795 115.700 -0.142 0.000 2.592 21 S HA 0.418 4.894 4.470 0.011 0.000 0.275 21 S C 0.794 175.282 174.600 -0.186 0.000 1.169 21 S CA 0.037 58.130 58.200 -0.178 0.000 0.958 21 S CB 1.437 64.520 63.200 -0.195 0.000 1.095 21 S HN 0.503 nan 8.310 nan 0.000 0.471 22 T N 2.736 117.172 114.554 -0.196 0.000 2.867 22 T HA -0.057 4.299 4.350 0.011 0.000 0.268 22 T C 1.419 176.074 174.700 -0.075 0.000 1.057 22 T CA 1.548 63.550 62.100 -0.164 0.000 1.136 22 T CB -0.617 68.186 68.868 -0.109 0.000 0.874 22 T HN 0.534 nan 8.240 nan 0.000 0.466 23 N N 1.252 119.877 118.700 -0.125 0.000 2.142 23 N HA -0.044 4.703 4.740 0.011 0.000 0.186 23 N C 2.048 177.505 175.510 -0.088 0.000 1.023 23 N CA 1.143 54.123 53.050 -0.118 0.000 0.852 23 N CB -0.219 38.155 38.487 -0.188 0.000 0.998 23 N HN 0.387 nan 8.380 nan 0.000 0.424 24 E N -0.224 119.918 120.200 -0.097 0.000 2.110 24 E HA -0.140 4.217 4.350 0.011 0.000 0.193 24 E C 1.739 178.314 176.600 -0.041 0.000 0.988 24 E CA 0.538 56.901 56.400 -0.061 0.000 0.804 24 E CB -0.463 29.215 29.700 -0.038 0.000 0.745 24 E HN 0.410 nan 8.360 nan 0.000 0.458 25 F N 1.365 121.228 119.950 -0.145 0.000 2.146 25 F HA -0.108 4.426 4.527 0.011 0.000 0.298 25 F C 2.224 177.975 175.800 -0.081 0.000 1.096 25 F CA 1.372 59.299 58.000 -0.122 0.000 1.275 25 F CB -0.140 38.739 39.000 -0.202 0.000 1.008 25 F HN -0.008 nan 8.300 nan 0.000 0.480 26 A N 0.267 123.136 122.820 0.083 0.000 1.902 26 A HA -0.191 4.136 4.320 0.011 0.000 0.217 26 A C 2.210 179.738 177.584 -0.094 0.000 1.181 26 A CA 1.843 53.895 52.037 0.025 0.000 0.623 26 A CB -0.626 18.399 19.000 0.041 0.000 0.818 26 A HN 0.441 nan 8.150 nan 0.000 0.443 27 K N -0.981 119.357 120.400 -0.104 0.000 2.057 27 K HA -0.069 4.257 4.320 0.011 0.000 0.206 27 K C 2.037 178.528 176.600 -0.182 0.000 1.050 27 K CA 1.753 57.969 56.287 -0.118 0.000 0.935 27 K CB -0.297 32.148 32.500 -0.093 0.000 0.715 27 K HN 0.453 nan 8.250 nan 0.000 0.439 28 T N 0.782 115.192 114.554 -0.240 0.000 2.896 28 T HA 0.003 4.360 4.350 0.011 0.000 0.263 28 T C 0.915 175.341 174.700 -0.456 0.000 1.050 28 T CA 0.497 62.410 62.100 -0.311 0.000 1.140 28 T CB 0.094 68.795 68.868 -0.279 0.000 0.877 28 T HN 0.066 nan 8.240 nan 0.000 0.457 29 S N 0.728 116.107 115.700 -0.535 0.000 2.592 29 S HA 0.335 4.811 4.470 0.011 0.000 0.271 29 S C -0.784 173.602 174.600 -0.358 0.000 1.326 29 S CA -0.599 57.279 58.200 -0.536 0.000 1.024 29 S CB 0.194 62.956 63.200 -0.730 0.000 0.921 29 S HN 0.262 nan 8.310 nan 0.000 0.527 30 Y N 1.971 122.205 120.300 -0.110 0.000 2.539 30 Y HA 0.432 4.988 4.550 0.011 0.000 0.352 30 Y C 0.071 175.958 175.900 -0.021 0.000 1.004 30 Y CA -0.295 57.775 58.100 -0.050 0.000 1.278 30 Y CB -0.376 38.065 38.460 -0.031 0.000 1.136 30 Y HN 0.318 nan 8.280 nan 0.000 0.528 31 L N 2.761 124.056 121.223 0.120 0.000 2.388 31 L HA 0.484 4.831 4.340 0.011 0.000 0.264 31 L C -0.201 176.723 176.870 0.089 0.000 0.998 31 L CA -1.102 53.800 54.840 0.103 0.000 0.817 31 L CB 2.444 44.557 42.059 0.091 0.000 1.338 31 L HN 0.419 nan 8.230 nan 0.000 0.414 32 E N 1.106 121.355 120.200 0.083 0.000 2.373 32 E HA 0.103 4.460 4.350 0.011 0.000 0.263 32 E C -0.475 176.160 176.600 0.059 0.000 1.073 32 E CA -0.429 56.012 56.400 0.068 0.000 0.894 32 E CB 1.127 30.865 29.700 0.063 0.000 1.008 32 E HN 0.446 nan 8.360 nan 0.000 0.420 33 E N 0.228 120.461 120.200 0.056 0.000 2.452 33 E HA -0.041 4.316 4.350 0.011 0.000 0.261 33 E C 0.597 177.220 176.600 0.037 0.000 0.987 33 E CA 0.967 57.395 56.400 0.046 0.000 0.926 33 E CB 0.187 29.933 29.700 0.077 0.000 0.934 33 E HN 0.735 nan 8.360 nan 0.000 0.452 34 G N 3.201 111.997 108.800 -0.006 0.000 2.213 34 G HA2 -0.249 3.717 3.960 0.011 0.000 0.236 34 G HA3 -0.249 3.717 3.960 0.011 0.000 0.236 34 G C 0.327 175.236 174.900 0.015 0.000 0.991 34 G CA 0.212 45.306 45.100 -0.009 0.000 0.629 34 G HN 0.615 nan 8.290 nan 0.000 0.517 35 T N 1.703 116.280 114.554 0.040 0.000 2.853 35 T HA 0.448 4.805 4.350 0.011 0.000 0.298 35 T C 0.457 175.207 174.700 0.084 0.000 0.978 35 T CA 0.230 62.377 62.100 0.077 0.000 1.152 35 T CB 2.008 70.938 68.868 0.102 0.000 0.914 35 T HN 0.491 nan 8.240 nan 0.000 0.539 36 V N 5.575 125.560 119.914 0.118 0.000 2.427 36 V HA 0.375 4.501 4.120 0.011 0.000 0.286 36 V C 0.044 176.252 176.094 0.190 0.000 1.034 36 V CA -0.899 61.488 62.300 0.144 0.000 0.893 36 V CB 1.315 33.259 31.823 0.202 0.000 0.982 36 V HN 0.694 nan 8.190 nan 0.000 0.452 37 I N 5.602 126.275 120.570 0.173 0.000 2.330 37 I HA 0.505 4.681 4.170 0.011 0.000 0.289 37 I C -0.220 175.985 176.117 0.147 0.000 1.001 37 I CA -0.329 61.080 61.300 0.182 0.000 1.193 37 I CB 1.410 39.496 38.000 0.144 0.000 1.345 37 I HN 0.379 nan 8.210 nan 0.000 0.461 38 V N 6.116 126.144 119.914 0.190 0.000 2.789 38 V HA 0.927 5.053 4.120 0.011 0.000 0.311 38 V C -0.822 175.368 176.094 0.161 0.000 1.073 38 V CA -0.275 62.130 62.300 0.175 0.000 0.921 38 V CB 2.026 33.962 31.823 0.188 0.000 1.009 38 V HN 0.891 nan 8.190 nan 0.000 0.426 39 A N 3.764 126.664 122.820 0.133 0.000 2.475 39 A HA 0.644 4.971 4.320 0.011 0.000 0.301 39 A C 0.256 177.973 177.584 0.221 0.000 1.059 39 A CA -0.434 51.650 52.037 0.079 0.000 0.710 39 A CB 1.554 20.529 19.000 -0.041 0.000 1.288 39 A HN 0.796 nan 8.150 nan 0.000 0.408 40 D N 0.589 121.091 120.400 0.170 0.000 2.178 40 D HA -0.042 4.605 4.640 0.011 0.000 0.201 40 D C 0.428 176.950 176.300 0.370 0.000 0.980 40 D CA 1.914 56.062 54.000 0.246 0.000 0.842 40 D CB 0.140 41.059 40.800 0.198 0.000 0.948 40 D HN 0.695 nan 8.370 nan 0.000 0.472 41 K N -0.635 119.923 120.400 0.263 0.000 2.587 41 K HA 0.377 4.704 4.320 0.011 0.000 0.276 41 K C -1.339 175.237 176.600 -0.040 0.000 0.956 41 K CA -0.855 55.522 56.287 0.150 0.000 0.857 41 K CB 1.639 34.194 32.500 0.091 0.000 1.431 41 K HN -0.260 nan 8.250 nan 0.000 0.420 42 Q N 1.178 120.848 119.800 -0.216 0.000 2.312 42 Q HA 0.246 4.592 4.340 0.011 0.000 0.263 42 Q C 0.165 176.072 176.000 -0.155 0.000 0.995 42 Q CA -0.684 55.001 55.803 -0.197 0.000 0.853 42 Q CB 2.180 30.764 28.738 -0.256 0.000 1.300 42 Q HN 0.889 nan 8.270 nan 0.000 0.448 43 T N -1.482 113.012 114.554 -0.100 0.000 3.051 43 T HA 0.205 4.562 4.350 0.011 0.000 0.255 43 T C 0.900 175.575 174.700 -0.043 0.000 1.085 43 T CA 0.371 62.431 62.100 -0.066 0.000 1.109 43 T CB 0.220 69.061 68.868 -0.044 0.000 0.921 43 T HN 0.521 nan 8.240 nan 0.000 0.488 44 M N 1.783 121.366 119.600 -0.029 0.000 3.718 44 M HA 0.402 4.888 4.480 0.011 0.000 0.421 44 M C 0.188 176.559 176.300 0.119 0.000 1.795 44 M CA -0.654 54.674 55.300 0.046 0.000 0.603 44 M CB 1.587 34.222 32.600 0.059 0.000 1.428 44 M HN 0.285 nan 8.290 nan 0.000 0.514 45 G N 0.107 108.931 108.800 0.040 0.000 2.420 45 G HA2 0.613 4.579 3.960 0.011 0.000 0.284 45 G HA3 0.613 4.579 3.960 0.011 0.000 0.284 45 G C -0.919 174.092 174.900 0.184 0.000 1.177 45 G CA -0.149 44.932 45.100 -0.030 0.000 0.841 45 G HN 0.681 nan 8.290 nan 0.000 0.527 46 H N -0.665 118.398 119.070 -0.011 0.000 2.855 46 H HA 0.731 5.294 4.556 0.010 0.000 0.363 46 H C 0.529 175.862 175.328 0.007 0.000 1.185 46 H CA -1.032 55.035 56.048 0.031 0.000 1.174 46 H CB 1.747 31.507 29.762 -0.002 0.000 1.857 46 H HN 0.725 nan 8.280 nan 0.000 0.565 47 G N -0.447 108.469 108.800 0.194 0.000 2.568 47 G HA2 0.171 4.138 3.960 0.011 0.000 0.293 47 G HA3 0.171 4.138 3.960 0.011 0.000 0.293 47 G C 0.612 175.536 174.900 0.041 0.000 1.347 47 G CA -0.868 44.287 45.100 0.091 0.000 1.039 47 G HN 0.717 nan 8.290 nan 0.000 0.523 48 R N -1.348 119.156 120.500 0.006 0.000 2.096 48 R HA -0.037 4.310 4.340 0.011 0.000 0.235 48 R C 1.703 178.025 176.300 0.037 0.000 1.127 48 R CA 0.993 57.096 56.100 0.005 0.000 0.968 48 R CB -0.278 30.013 30.300 -0.014 0.000 0.861 48 R HN 0.290 nan 8.270 nan 0.000 0.440 49 L N 1.525 122.779 121.223 0.052 0.000 2.650 49 L HA 0.062 4.409 4.340 0.011 0.000 0.235 49 L C 0.354 177.253 176.870 0.047 0.000 1.149 49 L CA 0.886 55.754 54.840 0.048 0.000 0.887 49 L CB -1.374 40.715 42.059 0.051 0.000 1.021 49 L HN 0.373 nan 8.230 nan 0.000 0.441 50 N N -0.308 118.432 118.700 0.066 0.000 2.782 50 N HA -0.235 4.512 4.740 0.011 0.000 0.251 50 N C 0.201 175.738 175.510 0.045 0.000 1.101 50 N CA 0.587 53.675 53.050 0.064 0.000 0.764 50 N CB -0.477 38.019 38.487 0.015 0.000 1.122 50 N HN 0.378 nan 8.380 nan 0.000 0.561 51 R N -0.011 120.540 120.500 0.085 0.000 2.596 51 R HA 0.375 4.721 4.340 0.011 0.000 0.267 51 R C 0.157 176.530 176.300 0.122 0.000 1.026 51 R CA -0.890 55.254 56.100 0.074 0.000 1.087 51 R CB 0.483 30.828 30.300 0.076 0.000 1.132 51 R HN 0.029 nan 8.270 nan 0.000 0.531 52 K N 1.461 121.908 120.400 0.078 0.000 2.412 52 K HA -0.012 4.314 4.320 0.011 0.000 0.281 52 K C -1.309 175.372 176.600 0.134 0.000 1.027 52 K CA 0.218 56.558 56.287 0.089 0.000 0.989 52 K CB 0.481 32.992 32.500 0.017 0.000 0.935 52 K HN 0.469 nan 8.250 nan 0.000 0.475 53 W N 6.366 127.640 121.300 -0.043 0.000 2.538 53 W HA 0.259 4.926 4.660 0.012 0.000 0.322 53 W C -1.011 175.399 176.519 -0.182 0.000 1.028 53 W CA -0.655 56.634 57.345 -0.092 0.000 1.228 53 W CB 1.143 30.545 29.460 -0.096 0.000 1.356 53 W HN 0.534 nan 8.180 nan 0.000 0.452 54 E N 3.207 123.088 120.200 -0.533 0.000 2.324 54 E HA 0.096 4.452 4.350 0.011 0.000 0.271 54 E C -0.269 175.984 176.600 -0.580 0.000 1.028 54 E CA 0.272 56.415 56.400 -0.429 0.000 0.890 54 E CB 1.142 30.625 29.700 -0.361 0.000 1.004 54 E HN 0.258 nan 8.360 nan 0.000 0.431 55 S N 4.507 119.876 115.700 -0.552 0.000 2.327 55 S HA 0.233 4.709 4.470 0.011 0.000 0.203 55 S C -2.249 172.027 174.600 -0.541 0.000 1.326 55 S CA -1.001 56.481 58.200 -1.197 0.000 1.248 55 S CB 0.696 63.113 63.200 -1.306 0.000 1.199 55 S HN 0.369 nan 8.310 nan 0.000 0.422 56 P HA 0.177 nan 4.420 nan 0.000 0.274 56 P C -0.290 177.245 177.300 0.392 0.000 1.256 56 P CA -0.353 62.827 63.100 0.132 0.000 0.795 56 P CB 0.731 32.487 31.700 0.094 0.000 1.038 57 E N -0.497 119.855 120.200 0.254 0.000 2.415 57 E HA 0.256 4.613 4.350 0.011 0.000 0.262 57 E C 1.040 177.758 176.600 0.196 0.000 1.038 57 E CA 0.829 57.375 56.400 0.244 0.000 0.921 57 E CB -0.228 29.556 29.700 0.140 0.000 0.950 57 E HN 0.836 nan 8.360 nan 0.000 0.438 58 G N 1.882 110.754 108.800 0.121 0.000 2.278 58 G HA2 -0.194 3.773 3.960 0.011 0.000 0.210 58 G HA3 -0.194 3.773 3.960 0.011 0.000 0.210 58 G C 0.476 175.320 174.900 -0.093 0.000 1.000 58 G CA -0.291 44.825 45.100 0.026 0.000 0.635 58 G HN 0.808 nan 8.290 nan 0.000 0.495 59 G N -0.598 108.100 108.800 -0.170 0.000 2.511 59 G HA2 0.681 4.648 3.960 0.011 0.000 0.316 59 G HA3 0.681 4.648 3.960 0.011 0.000 0.316 59 G C -0.810 173.322 174.900 -1.280 0.000 1.210 59 G CA -0.527 44.087 45.100 -0.810 0.000 0.969 59 G HN 0.905 nan 8.290 nan 0.000 0.492 60 L N 0.450 120.886 121.223 -1.313 0.000 2.277 60 L HA 0.581 4.928 4.340 0.011 0.000 0.284 60 L C -1.402 175.067 176.870 -0.667 0.000 1.028 60 L CA -1.155 53.228 54.840 -0.762 0.000 0.835 60 L CB 0.315 42.177 42.059 -0.329 0.000 1.215 60 L HN 0.510 nan 8.230 nan 0.000 0.425 61 W N 7.689 129.030 121.300 0.068 0.000 2.336 61 W HA 0.618 5.282 4.660 0.008 0.000 0.315 61 W C -0.873 175.651 176.519 0.008 0.000 1.016 61 W CA -0.974 56.383 57.345 0.021 0.000 1.318 61 W CB 0.910 30.381 29.460 0.017 0.000 1.247 61 W HN 0.379 nan 8.180 nan 0.000 0.414 62 L N 0.543 121.867 121.223 0.168 0.000 2.409 62 L HA 0.947 5.294 4.340 0.011 0.000 0.255 62 L C -0.402 176.489 176.870 0.034 0.000 1.027 62 L CA -1.093 53.814 54.840 0.111 0.000 0.834 62 L CB 2.000 44.153 42.059 0.156 0.000 1.426 62 L HN 0.041 nan 8.230 nan 0.000 0.411 63 S N 0.766 116.484 115.700 0.030 0.000 2.541 63 S HA 0.840 5.317 4.470 0.011 0.000 0.280 63 S C -0.873 173.729 174.600 0.003 0.000 1.112 63 S CA -0.390 57.802 58.200 -0.012 0.000 0.925 63 S CB 1.550 64.737 63.200 -0.023 0.000 1.067 63 S HN 0.583 nan 8.310 nan 0.000 0.479 64 I N 1.955 122.500 120.570 -0.042 0.000 2.436 64 I HA 0.395 4.571 4.170 0.011 0.000 0.289 64 I C -0.704 175.367 176.117 -0.077 0.000 1.010 64 I CA -0.976 60.289 61.300 -0.059 0.000 1.098 64 I CB 1.889 39.818 38.000 -0.118 0.000 1.266 64 I HN 0.262 nan 8.210 nan 0.000 0.434 65 V N 7.367 127.253 119.914 -0.047 0.000 2.488 65 V HA 0.362 4.488 4.120 0.011 0.000 0.277 65 V C 0.108 176.148 176.094 -0.090 0.000 1.046 65 V CA -0.061 62.213 62.300 -0.044 0.000 0.986 65 V CB 0.942 32.767 31.823 0.004 0.000 0.989 65 V HN 0.456 nan 8.190 nan 0.000 0.475 66 L N 3.776 124.943 121.223 -0.093 0.000 2.371 66 L HA 0.613 4.960 4.340 0.011 0.000 0.262 66 L C -0.043 176.839 176.870 0.020 0.000 1.006 66 L CA -0.338 54.436 54.840 -0.109 0.000 0.818 66 L CB 2.388 44.302 42.059 -0.242 0.000 1.354 66 L HN 0.539 nan 8.230 nan 0.000 0.415 67 S N 2.279 118.047 115.700 0.113 0.000 2.359 67 S HA 0.347 4.823 4.470 0.011 0.000 0.148 67 S C -2.568 172.149 174.600 0.194 0.000 1.610 67 S CA -0.925 57.350 58.200 0.125 0.000 1.274 67 S CB 0.458 63.715 63.200 0.094 0.000 1.380 67 S HN 0.334 nan 8.310 nan 0.000 0.380 68 P HA 0.286 nan 4.420 nan 0.000 0.271 68 P C -0.779 176.613 177.300 0.153 0.000 1.220 68 P CA -0.415 62.846 63.100 0.268 0.000 0.768 68 P CB 0.672 32.608 31.700 0.393 0.000 0.848 69 K N 2.960 123.416 120.400 0.095 0.000 2.778 69 K HA 0.271 4.597 4.320 0.011 0.000 0.238 69 K C 0.271 176.883 176.600 0.020 0.000 1.233 69 K CA -0.521 55.798 56.287 0.052 0.000 1.195 69 K CB 0.011 32.531 32.500 0.033 0.000 1.743 69 K HN 0.373 nan 8.250 nan 0.000 0.418 70 V N -1.997 117.940 119.914 0.039 0.000 3.019 70 V HA 0.666 4.793 4.120 0.011 0.000 0.317 70 V C -2.546 173.560 176.094 0.020 0.000 1.094 70 V CA -2.777 59.516 62.300 -0.011 0.000 1.000 70 V CB 1.422 33.208 31.823 -0.062 0.000 1.060 70 V HN 0.081 nan 8.190 nan 0.000 0.443 71 P HA 0.071 nan 4.420 nan 0.000 0.266 71 P C 0.448 177.783 177.300 0.058 0.000 1.193 71 P CA 0.310 63.423 63.100 0.021 0.000 0.770 71 P CB 0.326 32.028 31.700 0.003 0.000 0.836 72 Q N 2.554 122.393 119.800 0.065 0.000 2.439 72 Q HA -0.203 4.144 4.340 0.011 0.000 0.211 72 Q C 1.504 177.568 176.000 0.107 0.000 0.978 72 Q CA 1.274 57.124 55.803 0.079 0.000 0.897 72 Q CB -0.054 28.721 28.738 0.062 0.000 0.956 72 Q HN 0.436 nan 8.270 nan 0.000 0.483 73 K N -1.050 119.421 120.400 0.118 0.000 2.296 73 K HA -0.080 4.247 4.320 0.011 0.000 0.200 73 K C 0.723 177.420 176.600 0.161 0.000 1.048 73 K CA 1.272 57.666 56.287 0.178 0.000 0.966 73 K CB 0.260 32.878 32.500 0.196 0.000 0.754 73 K HN 0.152 nan 8.250 nan 0.000 0.466 74 D N 1.422 121.900 120.400 0.129 0.000 2.327 74 D HA 0.044 4.690 4.640 0.011 0.000 0.205 74 D C 2.006 178.479 176.300 0.289 0.000 0.989 74 D CA 0.329 54.443 54.000 0.191 0.000 0.873 74 D CB 0.117 40.992 40.800 0.125 0.000 0.955 74 D HN 0.162 nan 8.370 nan 0.000 0.515 75 L N 1.024 122.377 121.223 0.217 0.000 2.103 75 L HA -0.182 4.165 4.340 0.011 0.000 0.215 75 L C -0.546 176.392 176.870 0.113 0.000 1.080 75 L CA 1.441 56.383 54.840 0.170 0.000 0.764 75 L CB -1.828 40.298 42.059 0.111 0.000 0.890 75 L HN 0.015 nan 8.230 nan 0.000 0.435 76 P HA -0.098 nan 4.420 nan 0.000 0.242 76 P C 0.944 178.240 177.300 -0.007 0.000 1.197 76 P CA 1.050 64.221 63.100 0.118 0.000 0.765 76 P CB 0.027 31.820 31.700 0.155 0.000 0.936 77 K N -0.890 119.519 120.400 0.015 0.000 2.404 77 K HA 0.112 4.439 4.320 0.011 0.000 0.194 77 K C 1.411 177.870 176.600 -0.236 0.000 1.023 77 K CA 0.080 56.331 56.287 -0.059 0.000 1.094 77 K CB -0.054 32.645 32.500 0.333 0.000 0.841 77 K HN 0.092 nan 8.250 nan 0.000 0.523 78 I N 0.834 121.247 120.570 -0.262 0.000 2.286 78 I HA -0.227 3.949 4.170 0.011 0.000 0.248 78 I C 2.275 178.230 176.117 -0.271 0.000 1.115 78 I CA 1.157 62.272 61.300 -0.308 0.000 1.392 78 I CB -0.962 36.925 38.000 -0.188 0.000 1.065 78 I HN -0.023 nan 8.210 nan 0.000 0.418 79 V N 0.931 120.639 119.914 -0.345 0.000 2.407 79 V HA -0.289 3.838 4.120 0.011 0.000 0.248 79 V C 2.470 178.407 176.094 -0.262 0.000 1.055 79 V CA 1.765 63.834 62.300 -0.386 0.000 1.049 79 V CB -0.467 30.959 31.823 -0.662 0.000 0.662 79 V HN 0.140 nan 8.190 nan 0.000 0.455 80 F N -0.006 119.834 119.950 -0.184 0.000 2.171 80 F HA -0.067 4.465 4.527 0.010 0.000 0.300 80 F C 2.162 177.898 175.800 -0.107 0.000 1.090 80 F CA 1.181 59.105 58.000 -0.127 0.000 1.293 80 F CB -1.057 37.907 39.000 -0.060 0.000 1.013 80 F HN 0.135 nan 8.300 nan 0.000 0.486 81 L N -0.486 120.758 121.223 0.034 0.000 2.042 81 L HA -0.176 4.171 4.340 0.011 0.000 0.210 81 L C 2.760 179.615 176.870 -0.026 0.000 1.076 81 L CA 1.510 56.339 54.840 -0.018 0.000 0.749 81 L CB -1.464 40.529 42.059 -0.110 0.000 0.893 81 L HN 0.260 nan 8.230 nan 0.000 0.432 82 G N -0.508 108.254 108.800 -0.064 0.000 2.433 82 G HA2 -0.236 3.730 3.960 0.011 0.000 0.216 82 G HA3 -0.236 3.730 3.960 0.011 0.000 0.216 82 G C 1.782 176.658 174.900 -0.039 0.000 1.186 82 G CA 0.815 45.872 45.100 -0.072 0.000 0.779 82 G HN 0.462 nan 8.290 nan 0.000 0.543 83 A N 0.059 122.869 122.820 -0.017 0.000 1.883 83 A HA 0.029 4.355 4.320 0.011 0.000 0.217 83 A C 2.616 180.210 177.584 0.018 0.000 1.186 83 A CA 2.025 54.067 52.037 0.009 0.000 0.624 83 A CB -0.733 18.296 19.000 0.048 0.000 0.822 83 A HN 0.285 nan 8.150 nan 0.000 0.444 84 V N -0.091 119.842 119.914 0.030 0.000 2.358 84 V HA -0.157 3.970 4.120 0.011 0.000 0.246 84 V C 2.820 178.921 176.094 0.012 0.000 1.047 84 V CA 1.821 64.133 62.300 0.021 0.000 1.035 84 V CB -1.490 30.350 31.823 0.028 0.000 0.658 84 V HN 0.625 nan 8.190 nan 0.000 0.452 85 G N -0.010 108.792 108.800 0.004 0.000 2.476 85 G HA2 -0.236 3.731 3.960 0.011 0.000 0.218 85 G HA3 -0.236 3.731 3.960 0.011 0.000 0.218 85 G C 1.685 176.581 174.900 -0.006 0.000 1.164 85 G CA 1.367 46.464 45.100 -0.006 0.000 0.768 85 G HN 0.378 nan 8.290 nan 0.000 0.560 86 V N 0.409 120.317 119.914 -0.010 0.000 2.295 86 V HA -0.182 3.945 4.120 0.011 0.000 0.246 86 V C 3.053 179.154 176.094 0.012 0.000 1.049 86 V CA 1.542 63.839 62.300 -0.006 0.000 1.024 86 V CB -0.484 31.334 31.823 -0.008 0.000 0.648 86 V HN 0.251 nan 8.190 nan 0.000 0.447 87 V N 0.083 120.005 119.914 0.013 0.000 2.282 87 V HA -0.316 3.810 4.120 0.011 0.000 0.249 87 V C 2.449 178.558 176.094 0.026 0.000 1.057 87 V CA 2.335 64.645 62.300 0.017 0.000 1.032 87 V CB -0.723 31.107 31.823 0.011 0.000 0.645 87 V HN 0.655 nan 8.190 nan 0.000 0.447 88 E N -0.370 119.844 120.200 0.024 0.000 2.077 88 E HA -0.202 4.155 4.350 0.011 0.000 0.193 88 E C 2.287 178.919 176.600 0.053 0.000 0.989 88 E CA 1.793 58.210 56.400 0.028 0.000 0.800 88 E CB -0.381 29.330 29.700 0.019 0.000 0.746 88 E HN 0.559 nan 8.360 nan 0.000 0.452 89 T N 1.770 116.364 114.554 0.066 0.000 2.746 89 T HA -0.114 4.243 4.350 0.011 0.000 0.267 89 T C 1.972 176.809 174.700 0.228 0.000 1.039 89 T CA 0.804 62.987 62.100 0.139 0.000 1.142 89 T CB -0.179 68.747 68.868 0.097 0.000 0.866 89 T HN 0.080 nan 8.240 nan 0.000 0.444 90 L N 0.420 121.721 121.223 0.129 0.000 2.046 90 L HA -0.110 4.236 4.340 0.011 0.000 0.208 90 L C 2.677 179.634 176.870 0.145 0.000 1.077 90 L CA 1.397 56.315 54.840 0.131 0.000 0.747 90 L CB -0.455 41.637 42.059 0.054 0.000 0.896 90 L HN 0.225 nan 8.230 nan 0.000 0.432 91 K N 0.081 120.534 120.400 0.088 0.000 2.097 91 K HA -0.198 4.129 4.320 0.011 0.000 0.206 91 K C 1.943 178.568 176.600 0.042 0.000 1.049 91 K CA 1.375 57.694 56.287 0.053 0.000 0.933 91 K CB -0.111 32.404 32.500 0.026 0.000 0.717 91 K HN 0.376 nan 8.250 nan 0.000 0.442 92 E N -0.253 119.972 120.200 0.042 0.000 2.160 92 E HA -0.156 4.200 4.350 0.011 0.000 0.195 92 E C 0.934 177.413 176.600 -0.202 0.000 0.991 92 E CA 0.989 57.340 56.400 -0.082 0.000 0.810 92 E CB -0.019 29.617 29.700 -0.105 0.000 0.742 92 E HN 0.242 nan 8.360 nan 0.000 0.466 93 F N 0.174 120.118 119.950 -0.010 0.000 2.645 93 F HA 0.170 4.702 4.527 0.007 0.000 0.300 93 F C 0.540 176.335 175.800 -0.007 0.000 1.115 93 F CA -0.108 57.887 58.000 -0.008 0.000 1.355 93 F CB 0.426 39.420 39.000 -0.009 0.000 1.026 93 F HN -0.285 nan 8.300 nan 0.000 0.536 94 S N 1.065 116.822 115.700 0.094 0.000 3.682 94 S HA -0.209 4.267 4.470 0.011 0.000 0.354 94 S C 0.001 174.642 174.600 0.068 0.000 1.034 94 S CA 0.287 58.522 58.200 0.058 0.000 1.084 94 S CB -1.912 61.309 63.200 0.035 0.000 0.903 94 S HN 0.332 nan 8.310 nan 0.000 0.470 95 I N 1.085 121.704 120.570 0.082 0.000 2.433 95 I HA 0.269 4.446 4.170 0.011 0.000 0.292 95 I C 0.065 176.203 176.117 0.035 0.000 1.001 95 I CA -0.673 60.660 61.300 0.055 0.000 1.119 95 I CB 1.686 39.720 38.000 0.058 0.000 1.289 95 I HN -0.035 nan 8.210 nan 0.000 0.438 96 D N 5.800 126.209 120.400 0.016 0.000 2.558 96 D HA 0.210 4.856 4.640 0.011 0.000 0.221 96 D C 0.398 176.691 176.300 -0.013 0.000 1.143 96 D CA -0.018 53.982 54.000 0.001 0.000 1.010 96 D CB 0.340 41.135 40.800 -0.008 0.000 1.068 96 D HN 0.621 nan 8.370 nan 0.000 0.511 97 G N 2.770 111.567 108.800 -0.004 0.000 2.403 97 G HA2 0.420 4.387 3.960 0.011 0.000 0.259 97 G HA3 0.420 4.387 3.960 0.011 0.000 0.259 97 G C -0.145 174.740 174.900 -0.026 0.000 1.244 97 G CA -0.659 44.433 45.100 -0.012 0.000 0.849 97 G HN 0.410 nan 8.290 nan 0.000 0.532 98 R N 1.385 121.855 120.500 -0.049 0.000 2.686 98 R HA 0.352 4.698 4.340 0.011 0.000 0.286 98 R C -0.496 175.788 176.300 -0.026 0.000 0.969 98 R CA -0.876 55.189 56.100 -0.059 0.000 0.898 98 R CB 2.470 32.691 30.300 -0.131 0.000 1.183 98 R HN 0.428 nan 8.270 nan 0.000 0.456 99 I N 2.573 123.149 120.570 0.011 0.000 2.416 99 I HA 0.121 4.298 4.170 0.011 0.000 0.288 99 I C 0.391 176.590 176.117 0.138 0.000 1.051 99 I CA -0.051 61.286 61.300 0.063 0.000 1.375 99 I CB 0.749 38.786 38.000 0.062 0.000 1.407 99 I HN 0.328 nan 8.210 nan 0.000 0.516 100 K N 7.548 128.057 120.400 0.181 0.000 2.281 100 K HA 0.126 4.452 4.320 0.011 0.000 0.272 100 K C -0.671 176.091 176.600 0.269 0.000 1.048 100 K CA -0.631 55.846 56.287 0.316 0.000 0.898 100 K CB 0.728 33.447 32.500 0.365 0.000 1.128 100 K HN 0.532 nan 8.250 nan 0.000 0.460 101 W N 7.793 129.160 121.300 0.113 0.000 2.314 101 W HA -0.006 4.659 4.660 0.009 0.000 0.339 101 W C -1.815 174.731 176.519 0.045 0.000 1.293 101 W CA -0.966 56.437 57.345 0.097 0.000 1.288 101 W CB 0.904 30.422 29.460 0.096 0.000 1.186 101 W HN 0.555 nan 8.180 nan 0.000 0.566 102 P HA 0.043 nan 4.420 nan 0.000 0.282 102 P C -0.052 176.949 177.300 -0.499 0.000 1.327 102 P CA 0.645 63.099 63.100 -1.076 0.000 0.949 102 P CB 0.540 30.999 31.700 -2.069 0.000 1.445 103 N N -1.404 117.097 118.700 -0.330 0.000 2.082 103 N HA 0.083 4.830 4.740 0.011 0.000 0.228 103 N C -0.611 174.840 175.510 -0.097 0.000 1.341 103 N CA -0.069 52.826 53.050 -0.259 0.000 0.873 103 N CB 0.130 38.413 38.487 -0.340 0.000 1.137 103 N HN -0.129 nan 8.380 nan 0.000 0.505 104 D N 0.669 121.061 120.400 -0.014 0.000 2.269 104 D HA 0.411 5.057 4.640 0.011 0.000 0.244 104 D C -0.528 175.814 176.300 0.070 0.000 0.992 104 D CA -0.425 53.610 54.000 0.058 0.000 0.894 104 D CB 3.208 44.076 40.800 0.113 0.000 1.248 104 D HN -0.213 nan 8.370 nan 0.000 0.468 105 V N 2.322 122.281 119.914 0.076 0.000 2.409 105 V HA 0.419 4.545 4.120 0.011 0.000 0.291 105 V C 0.036 176.163 176.094 0.055 0.000 1.020 105 V CA -0.665 61.667 62.300 0.054 0.000 0.848 105 V CB 1.383 33.231 31.823 0.041 0.000 0.990 105 V HN 0.294 nan 8.190 nan 0.000 0.430 106 L N 4.786 126.017 121.223 0.013 0.000 2.333 106 L HA 0.784 5.130 4.340 0.011 0.000 0.269 106 L C -0.858 175.976 176.870 -0.059 0.000 1.010 106 L CA -1.070 53.761 54.840 -0.015 0.000 0.818 106 L CB 2.309 44.332 42.059 -0.060 0.000 1.306 106 L HN 0.304 nan 8.230 nan 0.000 0.430 107 V N 1.639 121.531 119.914 -0.037 0.000 2.409 107 V HA 0.314 4.440 4.120 0.011 0.000 0.290 107 V C -0.248 175.831 176.094 -0.024 0.000 1.017 107 V CA -0.680 61.598 62.300 -0.036 0.000 0.841 107 V CB 1.183 33.003 31.823 -0.005 0.000 1.003 107 V HN 0.889 nan 8.190 nan 0.000 0.426 108 N N 4.272 122.944 118.700 -0.047 0.000 2.740 108 N HA -0.253 4.493 4.740 0.011 0.000 0.248 108 N C 0.087 175.683 175.510 0.143 0.000 1.062 108 N CA 1.125 54.200 53.050 0.041 0.000 0.704 108 N CB -1.234 37.287 38.487 0.056 0.000 0.968 108 N HN 0.968 nan 8.380 nan 0.000 0.547 109 Y N -2.985 117.280 120.300 -0.058 0.000 4.668 109 Y HA -0.315 4.237 4.550 0.004 0.000 0.234 109 Y C 0.431 176.334 175.900 0.004 0.000 1.056 109 Y CA 1.346 59.408 58.100 -0.063 0.000 2.025 109 Y CB -1.469 36.927 38.460 -0.107 0.000 1.613 109 Y HN 0.239 nan 8.280 nan 0.000 0.653 110 K N 0.914 121.371 120.400 0.094 0.000 2.274 110 K HA 0.340 4.667 4.320 0.011 0.000 0.262 110 K C -0.005 176.634 176.600 0.066 0.000 0.961 110 K CA -1.081 55.254 56.287 0.081 0.000 0.833 110 K CB 1.596 34.131 32.500 0.058 0.000 1.102 110 K HN -0.001 nan 8.250 nan 0.000 0.436 111 K N 3.496 123.945 120.400 0.083 0.000 2.430 111 K HA -0.004 4.322 4.320 0.011 0.000 0.280 111 K C 0.419 177.074 176.600 0.092 0.000 1.063 111 K CA 0.281 56.628 56.287 0.100 0.000 1.071 111 K CB 0.264 32.831 32.500 0.113 0.000 0.899 111 K HN 0.623 nan 8.250 nan 0.000 0.473 112 I N 2.654 123.288 120.570 0.107 0.000 4.181 112 I HA 0.213 4.389 4.170 0.011 0.000 0.331 112 I C -0.452 175.770 176.117 0.176 0.000 1.312 112 I CA 0.047 61.409 61.300 0.103 0.000 1.146 112 I CB 0.607 38.638 38.000 0.053 0.000 1.074 112 I HN 0.672 nan 8.210 nan 0.000 0.402 113 A N -0.403 122.556 122.820 0.232 0.000 2.605 113 A HA 0.711 5.038 4.320 0.011 0.000 0.294 113 A C -0.811 176.929 177.584 0.260 0.000 1.062 113 A CA -0.105 52.100 52.037 0.279 0.000 0.682 113 A CB 0.838 19.911 19.000 0.121 0.000 1.278 113 A HN 0.154 nan 8.150 nan 0.000 0.410 114 G N -0.372 108.501 108.800 0.120 0.000 2.620 114 G HA2 0.652 4.619 3.960 0.011 0.000 0.301 114 G HA3 0.652 4.619 3.960 0.011 0.000 0.301 114 G C -1.492 173.248 174.900 -0.268 0.000 1.347 114 G CA -0.544 44.492 45.100 -0.107 0.000 0.971 114 G HN 1.220 nan 8.290 nan 0.000 0.488 115 V N 1.855 121.642 119.914 -0.212 0.000 2.604 115 V HA 0.658 4.784 4.120 0.011 0.000 0.305 115 V C -0.369 175.587 176.094 -0.230 0.000 1.043 115 V CA -0.806 61.363 62.300 -0.217 0.000 0.888 115 V CB 1.724 33.441 31.823 -0.175 0.000 0.995 115 V HN 0.727 nan 8.190 nan 0.000 0.429 116 L N 5.265 126.356 121.223 -0.219 0.000 2.404 116 L HA 0.712 5.058 4.340 0.011 0.000 0.272 116 L C -1.322 175.465 176.870 -0.138 0.000 0.980 116 L CA -0.425 54.310 54.840 -0.175 0.000 0.836 116 L CB 1.841 43.782 42.059 -0.197 0.000 1.238 116 L HN 0.475 nan 8.230 nan 0.000 0.408 117 V N 4.385 124.243 119.914 -0.094 0.000 2.427 117 V HA 0.511 4.637 4.120 0.011 0.000 0.286 117 V C -0.325 175.742 176.094 -0.044 0.000 1.034 117 V CA -0.456 61.801 62.300 -0.071 0.000 0.893 117 V CB 1.707 33.499 31.823 -0.051 0.000 0.982 117 V HN 0.761 nan 8.190 nan 0.000 0.452 118 E N 2.133 122.300 120.200 -0.055 0.000 2.293 118 E HA 0.769 5.125 4.350 0.011 0.000 0.270 118 E C -0.332 176.243 176.600 -0.042 0.000 0.879 118 E CA -0.713 55.659 56.400 -0.047 0.000 0.756 118 E CB 2.560 32.228 29.700 -0.054 0.000 1.208 118 E HN 0.911 nan 8.360 nan 0.000 0.428 119 G N 2.089 110.869 108.800 -0.034 0.000 2.635 119 G HA2 0.224 4.190 3.960 0.011 0.000 0.295 119 G HA3 0.224 4.190 3.960 0.011 0.000 0.295 119 G C -1.517 173.370 174.900 -0.021 0.000 1.359 119 G CA -0.701 44.384 45.100 -0.026 0.000 1.232 119 G HN 0.265 nan 8.290 nan 0.000 0.597 120 K N 2.474 122.862 120.400 -0.020 0.000 2.292 120 K HA 0.577 4.904 4.320 0.011 0.000 0.270 120 K C 1.157 177.755 176.600 -0.004 0.000 1.062 120 K CA 0.613 56.891 56.287 -0.015 0.000 0.916 120 K CB 0.564 33.051 32.500 -0.022 0.000 1.166 120 K HN 1.556 nan 8.250 nan 0.000 0.458 121 G N 4.529 113.330 108.800 0.002 0.000 2.536 121 G HA2 -0.375 3.591 3.960 0.011 0.000 0.277 121 G HA3 -0.375 3.591 3.960 0.011 0.000 0.277 121 G C 0.384 175.296 174.900 0.020 0.000 1.155 121 G CA 0.447 45.554 45.100 0.011 0.000 0.960 121 G HN 0.713 nan 8.290 nan 0.000 0.544 122 D N 1.088 121.503 120.400 0.026 0.000 2.234 122 D HA 0.159 4.806 4.640 0.011 0.000 0.205 122 D C 1.351 177.673 176.300 0.037 0.000 0.962 122 D CA 1.210 55.232 54.000 0.037 0.000 0.855 122 D CB 0.163 40.987 40.800 0.040 0.000 0.951 122 D HN 0.483 nan 8.370 nan 0.000 0.500 123 K N 1.364 121.778 120.400 0.024 0.000 2.276 123 K HA 0.189 4.515 4.320 0.011 0.000 0.285 123 K C -1.020 175.580 176.600 -0.000 0.000 1.062 123 K CA -0.280 56.015 56.287 0.014 0.000 0.918 123 K CB 0.435 32.937 32.500 0.003 0.000 1.055 123 K HN -0.106 nan 8.250 nan 0.000 0.477 124 I N 5.200 125.769 120.570 -0.003 0.000 2.436 124 I HA 0.229 4.406 4.170 0.011 0.000 0.289 124 I C -0.396 175.692 176.117 -0.048 0.000 1.010 124 I CA -0.937 60.350 61.300 -0.021 0.000 1.098 124 I CB 1.610 39.606 38.000 -0.007 0.000 1.266 124 I HN 0.289 nan 8.210 nan 0.000 0.434 125 V N 6.819 126.698 119.914 -0.058 0.000 2.370 125 V HA 0.320 4.446 4.120 0.011 0.000 0.283 125 V C -0.180 175.859 176.094 -0.092 0.000 1.023 125 V CA -0.739 61.518 62.300 -0.072 0.000 0.857 125 V CB 2.042 33.826 31.823 -0.066 0.000 0.985 125 V HN 0.462 nan 8.190 nan 0.000 0.443 126 L N 5.851 127.008 121.223 -0.110 0.000 2.259 126 L HA 0.786 5.132 4.340 0.011 0.000 0.288 126 L C 0.534 177.333 176.870 -0.119 0.000 1.051 126 L CA 0.263 55.027 54.840 -0.127 0.000 0.824 126 L CB 0.654 42.621 42.059 -0.154 0.000 1.206 126 L HN 0.652 nan 8.230 nan 0.000 0.429 127 G N 6.156 114.876 108.800 -0.133 0.000 2.348 127 G HA2 0.649 4.615 3.960 0.011 0.000 0.312 127 G HA3 0.649 4.615 3.960 0.011 0.000 0.312 127 G C -0.874 173.927 174.900 -0.165 0.000 1.126 127 G CA -0.452 44.561 45.100 -0.144 0.000 0.865 127 G HN 0.601 nan 8.290 nan 0.000 0.474 128 I N 1.132 121.623 120.570 -0.132 0.000 2.569 128 I HA 0.497 4.673 4.170 0.011 0.000 0.290 128 I C 0.158 176.237 176.117 -0.064 0.000 1.088 128 I CA -0.895 60.331 61.300 -0.123 0.000 1.047 128 I CB 2.743 40.695 38.000 -0.080 0.000 1.237 128 I HN 0.607 nan 8.210 nan 0.000 0.421 129 G N 6.109 114.852 108.800 -0.095 0.000 2.574 129 G HA2 0.635 4.602 3.960 0.011 0.000 0.306 129 G HA3 0.635 4.602 3.960 0.011 0.000 0.306 129 G C -1.722 173.367 174.900 0.316 0.000 1.334 129 G CA -0.342 44.895 45.100 0.227 0.000 0.954 129 G HN 0.358 nan 8.290 nan 0.000 0.500 130 L N 2.290 123.588 121.223 0.124 0.000 2.349 130 L HA 0.526 4.872 4.340 0.011 0.000 0.278 130 L C -0.877 175.909 176.870 -0.140 0.000 0.996 130 L CA -1.120 53.733 54.840 0.022 0.000 0.825 130 L CB 1.630 43.639 42.059 -0.083 0.000 1.243 130 L HN 0.347 nan 8.230 nan 0.000 0.412 131 N N 4.291 123.021 118.700 0.049 0.000 2.405 131 N HA 0.198 4.945 4.740 0.011 0.000 0.260 131 N C 0.453 175.912 175.510 -0.084 0.000 1.152 131 N CA -0.038 53.021 53.050 0.015 0.000 0.948 131 N CB 1.819 40.371 38.487 0.108 0.000 1.111 131 N HN 0.551 nan 8.380 nan 0.000 0.485 132 V N 2.446 122.266 119.914 -0.158 0.000 2.988 132 V HA 0.080 4.207 4.120 0.011 0.000 0.223 132 V C 1.237 177.273 176.094 -0.095 0.000 1.144 132 V CA 0.581 62.786 62.300 -0.158 0.000 1.242 132 V CB 0.009 31.700 31.823 -0.219 0.000 1.073 132 V HN 0.581 nan 8.190 nan 0.000 0.508 133 N N 1.045 119.699 118.700 -0.077 0.000 2.187 133 N HA 0.103 4.850 4.740 0.011 0.000 0.212 133 N C 0.015 175.528 175.510 0.006 0.000 1.152 133 N CA -0.090 52.940 53.050 -0.033 0.000 0.872 133 N CB 0.118 38.586 38.487 -0.032 0.000 1.025 133 N HN 0.647 nan 8.380 nan 0.000 0.514 134 N N 1.739 120.459 118.700 0.033 0.000 2.483 134 N HA 0.018 4.764 4.740 0.011 0.000 0.269 134 N C 0.236 175.788 175.510 0.070 0.000 1.209 134 N CA -0.202 52.904 53.050 0.094 0.000 0.969 134 N CB 1.292 39.917 38.487 0.230 0.000 1.173 134 N HN -0.028 nan 8.380 nan 0.000 0.475 135 K N -0.385 120.051 120.400 0.060 0.000 2.258 135 K HA 0.283 4.609 4.320 0.011 0.000 0.264 135 K C 0.042 176.654 176.600 0.021 0.000 1.007 135 K CA -0.569 55.735 56.287 0.028 0.000 0.941 135 K CB 0.640 33.149 32.500 0.015 0.000 0.966 135 K HN 0.519 nan 8.250 nan 0.000 0.480 136 V N -1.977 117.933 119.914 -0.007 0.000 3.001 136 V HA 0.581 4.708 4.120 0.011 0.000 0.314 136 V C -2.421 173.635 176.094 -0.064 0.000 1.099 136 V CA -1.984 60.291 62.300 -0.041 0.000 0.989 136 V CB 1.137 32.942 31.823 -0.030 0.000 1.040 136 V HN 0.909 nan 8.190 nan 0.000 0.434 137 P HA 0.153 nan 4.420 nan 0.000 0.274 137 P C -0.124 177.139 177.300 -0.061 0.000 1.246 137 P CA -0.383 62.661 63.100 -0.092 0.000 0.795 137 P CB 0.465 32.083 31.700 -0.136 0.000 1.006 138 N N -0.067 118.608 118.700 -0.043 0.000 2.356 138 N HA -0.038 4.708 4.740 0.011 0.000 0.252 138 N C 1.174 176.674 175.510 -0.017 0.000 1.241 138 N CA 1.362 54.398 53.050 -0.024 0.000 0.861 138 N CB -0.045 38.432 38.487 -0.017 0.000 1.075 138 N HN 0.756 nan 8.380 nan 0.000 0.461 139 G N 1.771 110.570 108.800 -0.002 0.000 2.358 139 G HA2 -0.255 3.711 3.960 0.011 0.000 0.224 139 G HA3 -0.255 3.711 3.960 0.011 0.000 0.224 139 G C 0.219 175.131 174.900 0.019 0.000 1.073 139 G CA 0.355 45.464 45.100 0.016 0.000 0.635 139 G HN 0.991 nan 8.290 nan 0.000 0.509 140 A N -0.540 122.277 122.820 -0.006 0.000 2.267 140 A HA 0.856 5.183 4.320 0.011 0.000 0.271 140 A C 0.557 178.144 177.584 0.005 0.000 1.131 140 A CA 1.446 53.479 52.037 -0.006 0.000 0.818 140 A CB 0.929 19.894 19.000 -0.059 0.000 1.118 140 A HN 1.516 nan 8.150 nan 0.000 0.501 141 T N -1.943 112.619 114.554 0.014 0.000 2.754 141 T HA 0.662 5.018 4.350 0.011 0.000 0.296 141 T C -0.650 174.061 174.700 0.018 0.000 1.205 141 T CA 0.199 62.309 62.100 0.015 0.000 1.009 141 T CB 1.106 69.986 68.868 0.019 0.000 1.368 141 T HN 1.893 nan 8.240 nan 0.000 0.509 142 S N 0.116 115.822 115.700 0.009 0.000 2.671 142 S HA 0.487 4.964 4.470 0.011 0.000 0.277 142 S C 1.099 175.688 174.600 -0.019 0.000 1.165 142 S CA -0.863 57.336 58.200 -0.001 0.000 0.822 142 S CB 1.115 64.314 63.200 -0.001 0.000 1.150 142 S HN 0.717 nan 8.310 nan 0.000 0.479 143 M N 1.111 120.681 119.600 -0.051 0.000 2.132 143 M HA -0.027 4.459 4.480 0.011 0.000 0.263 143 M C 2.310 178.583 176.300 -0.045 0.000 1.065 143 M CA 1.737 56.995 55.300 -0.069 0.000 1.122 143 M CB -0.558 31.948 32.600 -0.156 0.000 1.365 143 M HN 0.883 nan 8.290 nan 0.000 0.411 144 K N 1.245 121.618 120.400 -0.045 0.000 2.032 144 K HA -0.156 4.170 4.320 0.011 0.000 0.209 144 K C 1.768 178.363 176.600 -0.008 0.000 1.048 144 K CA 1.371 57.644 56.287 -0.024 0.000 0.927 144 K CB -0.183 32.304 32.500 -0.022 0.000 0.712 144 K HN 0.297 nan 8.250 nan 0.000 0.441 145 L N 0.815 122.035 121.223 -0.006 0.000 2.131 145 L HA -0.157 4.190 4.340 0.011 0.000 0.210 145 L C 2.457 179.330 176.870 0.005 0.000 1.092 145 L CA 0.960 55.801 54.840 0.002 0.000 0.759 145 L CB -0.349 41.712 42.059 0.003 0.000 0.903 145 L HN 0.251 nan 8.230 nan 0.000 0.435 146 E N 0.192 120.394 120.200 0.004 0.000 2.072 146 E HA -0.082 4.274 4.350 0.011 0.000 0.190 146 E C 2.242 178.852 176.600 0.016 0.000 0.982 146 E CA 1.044 57.451 56.400 0.010 0.000 0.803 146 E CB -0.046 29.660 29.700 0.010 0.000 0.755 146 E HN 0.490 nan 8.360 nan 0.000 0.453 147 L N -0.578 120.655 121.223 0.017 0.000 2.509 147 L HA 0.181 4.528 4.340 0.011 0.000 0.222 147 L C 1.332 178.215 176.870 0.021 0.000 1.123 147 L CA 0.437 55.294 54.840 0.027 0.000 0.856 147 L CB -0.120 41.964 42.059 0.041 0.000 0.985 147 L HN 0.197 nan 8.230 nan 0.000 0.456 148 G N 0.957 109.766 108.800 0.014 0.000 2.160 148 G HA2 -0.280 3.686 3.960 0.011 0.000 0.251 148 G HA3 -0.280 3.686 3.960 0.011 0.000 0.251 148 G C 0.165 175.073 174.900 0.012 0.000 1.008 148 G CA 0.408 45.515 45.100 0.012 0.000 0.724 148 G HN 0.537 nan 8.290 nan 0.000 0.514 149 S N -1.910 113.797 115.700 0.012 0.000 2.567 149 S HA 0.611 5.088 4.470 0.011 0.000 0.270 149 S C -0.693 173.911 174.600 0.007 0.000 1.152 149 S CA -0.869 57.339 58.200 0.012 0.000 0.835 149 S CB 1.803 65.015 63.200 0.020 0.000 1.115 149 S HN 0.319 nan 8.310 nan 0.000 0.459 150 E N 0.387 120.590 120.200 0.005 0.000 2.415 150 E HA 0.355 4.711 4.350 0.011 0.000 0.262 150 E C -0.774 175.825 176.600 -0.002 0.000 1.038 150 E CA -0.017 56.380 56.400 -0.005 0.000 0.921 150 E CB 0.926 30.625 29.700 -0.002 0.000 0.950 150 E HN 0.475 nan 8.360 nan 0.000 0.438 151 V N 4.331 124.226 119.914 -0.031 0.000 2.487 151 V HA 0.202 4.328 4.120 0.011 0.000 0.298 151 V C -2.319 173.749 176.094 -0.045 0.000 1.028 151 V CA -2.070 60.206 62.300 -0.041 0.000 0.860 151 V CB 1.573 33.297 31.823 -0.166 0.000 0.991 151 V HN 0.565 nan 8.190 nan 0.000 0.427 152 P HA 0.016 nan 4.420 nan 0.000 0.256 152 P C 0.742 178.034 177.300 -0.015 0.000 1.189 152 P CA 0.018 63.127 63.100 0.016 0.000 0.808 152 P CB 0.479 32.218 31.700 0.066 0.000 0.793 153 L N 5.388 126.584 121.223 -0.046 0.000 2.043 153 L HA -0.202 4.144 4.340 0.011 0.000 0.212 153 L C 1.827 178.694 176.870 -0.005 0.000 1.075 153 L CA 1.889 56.690 54.840 -0.065 0.000 0.752 153 L CB -1.280 40.731 42.059 -0.079 0.000 0.891 153 L HN 0.281 nan 8.230 nan 0.000 0.432 154 L N -1.241 119.986 121.223 0.006 0.000 2.042 154 L HA -0.185 4.161 4.340 0.011 0.000 0.210 154 L C 2.477 179.437 176.870 0.149 0.000 1.076 154 L CA 2.051 56.923 54.840 0.053 0.000 0.749 154 L CB -0.842 41.216 42.059 -0.002 0.000 0.893 154 L HN 0.286 nan 8.230 nan 0.000 0.432 155 S N -1.130 114.649 115.700 0.132 0.000 2.382 155 S HA -0.153 4.323 4.470 0.011 0.000 0.228 155 S C 1.946 176.701 174.600 0.259 0.000 1.027 155 S CA 1.408 59.732 58.200 0.207 0.000 0.991 155 S CB -0.439 62.925 63.200 0.273 0.000 0.823 155 S HN 0.370 nan 8.310 nan 0.000 0.469 156 V N 1.233 121.225 119.914 0.131 0.000 2.358 156 V HA -0.142 3.984 4.120 0.011 0.000 0.246 156 V C 1.844 177.982 176.094 0.074 0.000 1.047 156 V CA 1.715 64.017 62.300 0.004 0.000 1.035 156 V CB -0.767 30.912 31.823 -0.241 0.000 0.658 156 V HN 0.505 nan 8.190 nan 0.000 0.452 157 F N 1.425 121.355 119.950 -0.033 0.000 2.075 157 F HA -0.189 4.343 4.527 0.008 0.000 0.297 157 F C 2.615 178.420 175.800 0.010 0.000 1.113 157 F CA 1.842 59.827 58.000 -0.024 0.000 1.218 157 F CB -0.279 38.704 39.000 -0.029 0.000 0.984 157 F HN -0.062 nan 8.300 nan 0.000 0.472 158 R N -0.263 120.323 120.500 0.144 0.000 2.083 158 R HA -0.190 4.157 4.340 0.011 0.000 0.237 158 R C 2.639 178.912 176.300 -0.046 0.000 1.137 158 R CA 1.602 57.722 56.100 0.034 0.000 0.951 158 R CB -0.973 29.402 30.300 0.125 0.000 0.851 158 R HN 0.377 nan 8.270 nan 0.000 0.434 159 S N 0.862 116.583 115.700 0.036 0.000 2.353 159 S HA -0.155 4.321 4.470 0.011 0.000 0.222 159 S C 1.926 176.512 174.600 -0.023 0.000 1.035 159 S CA 1.254 59.482 58.200 0.048 0.000 1.025 159 S CB -0.236 63.084 63.200 0.200 0.000 0.902 159 S HN 0.235 nan 8.310 nan 0.000 0.440 160 L N 1.802 122.984 121.223 -0.068 0.000 1.989 160 L HA -0.019 4.327 4.340 0.011 0.000 0.211 160 L C 2.155 178.919 176.870 -0.178 0.000 1.071 160 L CA 1.741 56.512 54.840 -0.115 0.000 0.749 160 L CB -0.769 41.206 42.059 -0.140 0.000 0.890 160 L HN 0.340 nan 8.230 nan 0.000 0.431 161 I N -0.612 119.762 120.570 -0.327 0.000 2.208 161 I HA -0.288 3.889 4.170 0.011 0.000 0.245 161 I C 2.383 178.406 176.117 -0.156 0.000 1.097 161 I CA 1.690 62.799 61.300 -0.318 0.000 1.363 161 I CB -1.917 35.770 38.000 -0.521 0.000 1.051 161 I HN 0.314 nan 8.210 nan 0.000 0.413 162 T N 1.440 115.923 114.554 -0.117 0.000 2.708 162 T HA -0.124 4.232 4.350 0.011 0.000 0.266 162 T C 1.748 176.430 174.700 -0.030 0.000 1.037 162 T CA 1.364 63.432 62.100 -0.053 0.000 1.146 162 T CB -0.193 68.655 68.868 -0.033 0.000 0.865 162 T HN 0.298 nan 8.240 nan 0.000 0.435 163 N N 1.294 119.974 118.700 -0.032 0.000 2.120 163 N HA 0.033 4.780 4.740 0.011 0.000 0.188 163 N C 1.931 177.439 175.510 -0.002 0.000 1.024 163 N CA 0.855 53.898 53.050 -0.011 0.000 0.852 163 N CB -0.517 37.965 38.487 -0.008 0.000 1.003 163 N HN 0.343 nan 8.380 nan 0.000 0.424 164 L N 0.629 121.836 121.223 -0.027 0.000 2.083 164 L HA -0.167 4.179 4.340 0.011 0.000 0.209 164 L C 2.067 178.961 176.870 0.040 0.000 1.083 164 L CA 1.188 56.019 54.840 -0.015 0.000 0.752 164 L CB -0.428 41.588 42.059 -0.072 0.000 0.899 164 L HN 0.082 nan 8.230 nan 0.000 0.433 165 D N 0.010 120.426 120.400 0.027 0.000 2.117 165 D HA -0.219 4.428 4.640 0.011 0.000 0.197 165 D C 2.340 178.706 176.300 0.111 0.000 0.987 165 D CA 1.116 55.166 54.000 0.083 0.000 0.829 165 D CB 0.100 40.924 40.800 0.041 0.000 0.961 165 D HN 0.044 nan 8.370 nan 0.000 0.460 166 R N -0.297 120.243 120.500 0.066 0.000 2.066 166 R HA -0.063 4.284 4.340 0.011 0.000 0.232 166 R C 2.418 178.766 176.300 0.081 0.000 1.131 166 R CA 1.010 57.146 56.100 0.060 0.000 0.955 166 R CB -0.307 30.014 30.300 0.035 0.000 0.851 166 R HN 0.249 nan 8.270 nan 0.000 0.432 167 L N -0.353 120.924 121.223 0.091 0.000 2.083 167 L HA -0.202 4.144 4.340 0.011 0.000 0.209 167 L C 2.406 179.385 176.870 0.182 0.000 1.083 167 L CA 1.208 56.115 54.840 0.112 0.000 0.752 167 L CB -0.592 41.519 42.059 0.085 0.000 0.899 167 L HN 0.262 nan 8.230 nan 0.000 0.433 168 Y N 0.363 120.696 120.300 0.055 0.000 2.163 168 Y HA -0.221 4.336 4.550 0.011 0.000 0.288 168 Y C 2.280 178.270 175.900 0.149 0.000 1.136 168 Y CA 1.326 59.478 58.100 0.088 0.000 1.147 168 Y CB -0.245 38.234 38.460 0.032 0.000 0.987 168 Y HN -0.061 nan 8.280 nan 0.000 0.509 169 L N 0.701 121.939 121.223 0.025 0.000 2.042 169 L HA -0.251 4.096 4.340 0.011 0.000 0.210 169 L C 2.281 179.116 176.870 -0.058 0.000 1.076 169 L CA 2.205 57.003 54.840 -0.069 0.000 0.749 169 L CB -1.219 40.847 42.059 0.011 0.000 0.893 169 L HN 0.289 nan 8.230 nan 0.000 0.432 170 N N -0.780 117.928 118.700 0.013 0.000 2.244 170 N HA -0.258 4.488 4.740 0.011 0.000 0.183 170 N C 1.841 177.360 175.510 0.015 0.000 1.016 170 N CA 1.027 54.084 53.050 0.013 0.000 0.866 170 N CB -0.259 38.252 38.487 0.039 0.000 0.980 170 N HN 0.325 nan 8.380 nan 0.000 0.430 171 F N 0.768 120.665 119.950 -0.088 0.000 2.171 171 F HA -0.003 4.531 4.527 0.012 0.000 0.300 171 F C 1.706 177.425 175.800 -0.134 0.000 1.090 171 F CA 1.046 58.998 58.000 -0.080 0.000 1.293 171 F CB -0.108 38.873 39.000 -0.030 0.000 1.013 171 F HN 0.041 nan 8.300 nan 0.000 0.486 172 L N 0.298 121.395 121.223 -0.210 0.000 2.201 172 L HA -0.193 4.154 4.340 0.011 0.000 0.212 172 L C 2.475 179.189 176.870 -0.260 0.000 1.105 172 L CA 1.690 56.357 54.840 -0.290 0.000 0.775 172 L CB -0.612 41.282 42.059 -0.275 0.000 0.913 172 L HN 0.193 nan 8.230 nan 0.000 0.440 173 K N -0.217 120.063 120.400 -0.200 0.000 2.168 173 K HA 0.028 4.355 4.320 0.011 0.000 0.201 173 K C 0.305 176.807 176.600 -0.163 0.000 1.049 173 K CA 0.580 56.778 56.287 -0.150 0.000 0.974 173 K CB 0.517 32.960 32.500 -0.095 0.000 0.792 173 K HN 0.200 nan 8.250 nan 0.000 0.463 174 N N 1.648 120.245 118.700 -0.171 0.000 2.841 174 N HA 0.165 4.912 4.740 0.011 0.000 0.257 174 N C -2.527 172.862 175.510 -0.202 0.000 1.396 174 N CA -1.211 51.749 53.050 -0.149 0.000 0.823 174 N CB 1.784 40.227 38.487 -0.073 0.000 1.162 174 N HN 0.040 nan 8.380 nan 0.000 0.503 175 P HA -0.074 nan 4.420 nan 0.000 0.220 175 P C 1.436 178.677 177.300 -0.097 0.000 1.144 175 P CA 1.105 63.879 63.100 -0.543 0.000 0.800 175 P CB 0.342 31.687 31.700 -0.591 0.000 0.772 176 M N -1.604 117.954 119.600 -0.071 0.000 2.388 176 M HA -0.018 4.469 4.480 0.011 0.000 0.265 176 M C 1.171 177.491 176.300 0.034 0.000 1.088 176 M CA 1.153 56.448 55.300 -0.008 0.000 1.134 176 M CB -1.410 31.163 32.600 -0.044 0.000 1.384 176 M HN -0.091 nan 8.290 nan 0.000 0.447 177 D N 1.074 121.493 120.400 0.031 0.000 2.158 177 D HA -0.176 4.471 4.640 0.011 0.000 0.197 177 D C 1.852 178.195 176.300 0.071 0.000 0.995 177 D CA 0.996 55.022 54.000 0.042 0.000 0.846 177 D CB -0.290 40.532 40.800 0.038 0.000 0.941 177 D HN 0.265 nan 8.370 nan 0.000 0.456 178 I N 0.493 121.146 120.570 0.139 0.000 2.361 178 I HA -0.190 3.987 4.170 0.011 0.000 0.251 178 I C 1.966 178.115 176.117 0.053 0.000 1.133 178 I CA 0.937 62.319 61.300 0.138 0.000 1.413 178 I CB -0.172 37.979 38.000 0.252 0.000 1.073 178 I HN -0.004 nan 8.210 nan 0.000 0.424 179 L N 0.117 121.372 121.223 0.053 0.000 2.042 179 L HA -0.263 4.084 4.340 0.011 0.000 0.210 179 L C 2.131 178.967 176.870 -0.056 0.000 1.076 179 L CA 1.850 56.672 54.840 -0.031 0.000 0.749 179 L CB -1.062 41.009 42.059 0.020 0.000 0.893 179 L HN 0.313 nan 8.230 nan 0.000 0.432 180 N N 0.159 118.848 118.700 -0.018 0.000 2.120 180 N HA -0.155 4.591 4.740 0.011 0.000 0.188 180 N C 1.890 177.384 175.510 -0.027 0.000 1.024 180 N CA 1.117 54.156 53.050 -0.018 0.000 0.852 180 N CB -0.340 38.145 38.487 -0.004 0.000 1.003 180 N HN 0.224 nan 8.380 nan 0.000 0.424 181 L N -0.034 121.177 121.223 -0.021 0.000 2.046 181 L HA -0.116 4.231 4.340 0.011 0.000 0.208 181 L C 2.004 178.844 176.870 -0.049 0.000 1.077 181 L CA 0.784 55.612 54.840 -0.020 0.000 0.747 181 L CB -0.602 41.458 42.059 0.002 0.000 0.896 181 L HN 0.076 nan 8.230 nan 0.000 0.432 182 V N -0.116 119.735 119.914 -0.104 0.000 2.295 182 V HA -0.291 3.835 4.120 0.011 0.000 0.246 182 V C 2.695 178.719 176.094 -0.117 0.000 1.049 182 V CA 1.828 64.021 62.300 -0.178 0.000 1.024 182 V CB -0.623 30.917 31.823 -0.472 0.000 0.648 182 V HN 0.417 nan 8.190 nan 0.000 0.447 183 R N 0.181 120.620 120.500 -0.102 0.000 2.096 183 R HA -0.217 4.130 4.340 0.011 0.000 0.240 183 R C 1.961 178.244 176.300 -0.028 0.000 1.139 183 R CA 2.208 58.276 56.100 -0.053 0.000 0.952 183 R CB -0.374 29.903 30.300 -0.039 0.000 0.854 183 R HN 0.543 nan 8.270 nan 0.000 0.436 184 D N -0.412 119.972 120.400 -0.026 0.000 2.348 184 D HA -0.069 4.577 4.640 0.011 0.000 0.216 184 D C 0.394 176.686 176.300 -0.014 0.000 0.970 184 D CA 0.811 54.802 54.000 -0.015 0.000 0.889 184 D CB 0.024 40.817 40.800 -0.012 0.000 0.912 184 D HN 0.321 nan 8.370 nan 0.000 0.524 185 N N -0.095 118.594 118.700 -0.018 0.000 2.241 185 N HA 0.089 4.836 4.740 0.011 0.000 0.238 185 N C -0.132 175.374 175.510 -0.007 0.000 1.244 185 N CA -0.090 52.952 53.050 -0.014 0.000 0.880 185 N CB 1.512 39.992 38.487 -0.012 0.000 1.179 185 N HN 0.201 nan 8.380 nan 0.000 0.513 186 M N 1.178 120.779 119.600 0.002 0.000 2.404 186 M HA 0.426 4.913 4.480 0.011 0.000 0.338 186 M C -0.713 175.615 176.300 0.048 0.000 1.150 186 M CA -0.544 54.779 55.300 0.038 0.000 1.016 186 M CB 1.643 34.274 32.600 0.051 0.000 1.672 186 M HN -0.140 nan 8.290 nan 0.000 0.448 187 I N 6.090 126.706 120.570 0.077 0.000 2.494 187 I HA 0.110 4.286 4.170 0.011 0.000 0.289 187 I C -0.696 175.513 176.117 0.154 0.000 1.106 187 I CA 0.225 61.564 61.300 0.065 0.000 1.369 187 I CB -0.181 37.826 38.000 0.012 0.000 1.410 187 I HN 0.618 nan 8.210 nan 0.000 0.523 188 L N 4.478 125.764 121.223 0.104 0.000 2.341 188 L HA 0.649 4.996 4.340 0.011 0.000 0.254 188 L C 0.955 177.883 176.870 0.096 0.000 1.040 188 L CA -0.732 54.173 54.840 0.109 0.000 0.837 188 L CB 1.820 43.918 42.059 0.065 0.000 1.425 188 L HN 0.712 nan 8.230 nan 0.000 0.414 189 G N 0.492 109.345 108.800 0.088 0.000 2.159 189 G HA2 -0.183 3.784 3.960 0.011 0.000 0.256 189 G HA3 -0.183 3.784 3.960 0.011 0.000 0.256 189 G C -0.240 174.714 174.900 0.090 0.000 0.977 189 G CA 0.228 45.372 45.100 0.073 0.000 0.652 189 G HN 0.747 nan 8.290 nan 0.000 0.531 190 V N -3.501 116.494 119.914 0.136 0.000 3.158 190 V HA 0.866 4.992 4.120 0.011 0.000 0.315 190 V C 0.561 176.758 176.094 0.173 0.000 1.148 190 V CA -1.404 60.988 62.300 0.153 0.000 1.042 190 V CB 1.713 33.652 31.823 0.193 0.000 1.101 190 V HN 0.407 nan 8.190 nan 0.000 0.448 191 R N 0.574 121.167 120.500 0.155 0.000 2.390 191 R HA 0.705 5.052 4.340 0.011 0.000 0.291 191 R C -0.705 175.695 176.300 0.166 0.000 1.070 191 R CA -0.001 56.177 56.100 0.130 0.000 1.014 191 R CB 1.396 31.749 30.300 0.087 0.000 1.007 191 R HN 1.064 nan 8.270 nan 0.000 0.466 192 V N -0.038 119.923 119.914 0.080 0.000 3.130 192 V HA 0.590 4.717 4.120 0.011 0.000 0.310 192 V C -1.238 174.815 176.094 -0.068 0.000 1.158 192 V CA -1.103 61.184 62.300 -0.021 0.000 1.029 192 V CB 2.027 33.769 31.823 -0.136 0.000 1.057 192 V HN 0.740 nan 8.190 nan 0.000 0.436 193 K N 2.270 122.592 120.400 -0.129 0.000 2.292 193 K HA 0.609 4.935 4.320 0.011 0.000 0.257 193 K C -1.548 174.890 176.600 -0.269 0.000 0.940 193 K CA -0.828 55.361 56.287 -0.164 0.000 0.811 193 K CB 1.708 34.148 32.500 -0.099 0.000 1.120 193 K HN 0.711 nan 8.250 nan 0.000 0.428 194 I N 6.029 126.304 120.570 -0.491 0.000 2.315 194 I HA 0.238 4.415 4.170 0.011 0.000 0.291 194 I C -0.122 175.757 176.117 -0.396 0.000 1.006 194 I CA -0.745 60.219 61.300 -0.560 0.000 1.265 194 I CB 0.900 38.217 38.000 -1.139 0.000 1.387 194 I HN 0.512 nan 8.210 nan 0.000 0.475 195 L N 6.736 127.844 121.223 -0.192 0.000 2.297 195 L HA 0.585 4.932 4.340 0.011 0.000 0.277 195 L C 0.754 177.598 176.870 -0.044 0.000 1.040 195 L CA -0.082 54.698 54.840 -0.100 0.000 0.867 195 L CB 1.017 43.041 42.059 -0.057 0.000 1.244 195 L HN 0.792 nan 8.230 nan 0.000 0.433 196 G N 0.991 109.774 108.800 -0.028 0.000 3.359 196 G HA2 0.045 4.011 3.960 0.011 0.000 0.187 196 G HA3 0.045 4.011 3.960 0.011 0.000 0.187 196 G C -0.758 174.160 174.900 0.030 0.000 1.294 196 G CA -0.174 44.939 45.100 0.022 0.000 0.769 196 G HN 0.366 nan 8.290 nan 0.000 0.733 197 D N 1.267 121.698 120.400 0.051 0.000 2.508 197 D HA 0.460 5.107 4.640 0.011 0.000 0.224 197 D C 1.008 177.342 176.300 0.056 0.000 1.171 197 D CA 1.319 55.347 54.000 0.046 0.000 1.006 197 D CB -0.295 40.534 40.800 0.048 0.000 1.073 197 D HN 0.879 nan 8.370 nan 0.000 0.513 198 G N 2.015 110.839 108.800 0.040 0.000 2.601 198 G HA2 -0.050 3.917 3.960 0.011 0.000 0.224 198 G HA3 -0.050 3.917 3.960 0.011 0.000 0.224 198 G C -0.584 174.334 174.900 0.030 0.000 1.171 198 G CA 0.032 45.159 45.100 0.044 0.000 1.009 198 G HN 1.294 nan 8.290 nan 0.000 0.589 199 S N -1.296 114.440 115.700 0.059 0.000 2.686 199 S HA 0.793 5.270 4.470 0.011 0.000 0.273 199 S C -1.013 173.651 174.600 0.106 0.000 1.060 199 S CA 0.215 58.404 58.200 -0.018 0.000 0.845 199 S CB 1.448 64.615 63.200 -0.056 0.000 1.086 199 S HN 2.482 nan 8.310 nan 0.000 0.461 200 F N -1.121 118.830 119.950 0.002 0.000 2.693 200 F HA 0.899 5.433 4.527 0.012 0.000 0.309 200 F C -1.098 174.699 175.800 -0.006 0.000 1.129 200 F CA -0.894 57.104 58.000 -0.003 0.000 0.948 200 F CB 0.860 39.857 39.000 -0.006 0.000 1.315 200 F HN 0.744 nan 8.300 nan 0.000 0.447 201 E N 0.583 120.927 120.200 0.240 0.000 2.281 201 E HA 0.838 5.194 4.350 0.011 0.000 0.262 201 E C -0.395 176.323 176.600 0.196 0.000 0.933 201 E CA -1.322 55.157 56.400 0.132 0.000 0.809 201 E CB 2.467 32.208 29.700 0.069 0.000 1.242 201 E HN 1.145 nan 8.360 nan 0.000 0.418 202 G N 0.341 109.216 108.800 0.125 0.000 2.315 202 G HA2 0.215 4.181 3.960 0.011 0.000 0.294 202 G HA3 0.215 4.181 3.960 0.011 0.000 0.294 202 G C -1.629 173.319 174.900 0.080 0.000 1.300 202 G CA -0.940 44.225 45.100 0.108 0.000 0.843 202 G HN 0.267 nan 8.290 nan 0.000 0.527 203 I N 1.593 122.203 120.570 0.066 0.000 2.371 203 I HA 0.480 4.656 4.170 0.011 0.000 0.290 203 I C 1.132 177.279 176.117 0.050 0.000 1.028 203 I CA -0.606 60.731 61.300 0.061 0.000 1.345 203 I CB 0.845 38.874 38.000 0.049 0.000 1.407 203 I HN 0.737 nan 8.210 nan 0.000 0.501 204 A N 7.014 129.870 122.820 0.059 0.000 2.544 204 A HA 0.193 4.519 4.320 0.011 0.000 0.301 204 A C 1.211 178.812 177.584 0.029 0.000 1.368 204 A CA -0.295 51.758 52.037 0.027 0.000 1.045 204 A CB -0.195 18.840 19.000 0.059 0.000 1.129 204 A HN 0.706 nan 8.150 nan 0.000 0.540 205 E N 1.022 121.225 120.200 0.006 0.000 2.076 205 E HA -0.001 4.355 4.350 0.011 0.000 0.190 205 E C 0.216 176.818 176.600 0.003 0.000 0.979 205 E CA 1.262 57.667 56.400 0.009 0.000 0.807 205 E CB 0.141 29.843 29.700 0.004 0.000 0.761 205 E HN 0.880 nan 8.360 nan 0.000 0.454 206 D N -1.718 118.671 120.400 -0.018 0.000 2.871 206 D HA 0.144 4.791 4.640 0.011 0.000 0.330 206 D C -1.548 174.728 176.300 -0.039 0.000 1.364 206 D CA -0.553 53.438 54.000 -0.015 0.000 0.759 206 D CB 0.317 41.117 40.800 -0.000 0.000 1.325 206 D HN -0.036 nan 8.370 nan 0.000 0.452 207 I N -0.642 119.921 120.570 -0.012 0.000 2.530 207 I HA 0.689 4.865 4.170 0.011 0.000 0.297 207 I C -0.257 175.899 176.117 0.065 0.000 1.011 207 I CA -0.844 60.469 61.300 0.022 0.000 1.107 207 I CB 1.667 39.706 38.000 0.066 0.000 1.285 207 I HN 0.320 nan 8.210 nan 0.000 0.436 208 D N 3.397 123.867 120.400 0.117 0.000 2.478 208 D HA 0.034 4.680 4.640 0.011 0.000 0.274 208 D C 0.684 177.093 176.300 0.182 0.000 1.234 208 D CA -0.300 53.786 54.000 0.143 0.000 1.069 208 D CB 0.270 41.170 40.800 0.168 0.000 1.113 208 D HN 0.722 nan 8.370 nan 0.000 0.571 209 D N -1.256 119.257 120.400 0.189 0.000 2.392 209 D HA -0.152 4.495 4.640 0.011 0.000 0.228 209 D C 0.611 176.910 176.300 -0.001 0.000 1.003 209 D CA 0.432 54.486 54.000 0.089 0.000 0.917 209 D CB -0.455 40.373 40.800 0.047 0.000 0.890 209 D HN 0.299 nan 8.370 nan 0.000 0.532 210 F N -0.442 119.600 119.950 0.153 0.000 2.688 210 F HA 0.376 4.909 4.527 0.010 0.000 0.310 210 F C 1.952 177.933 175.800 0.303 0.000 1.098 210 F CA 0.040 58.157 58.000 0.195 0.000 1.228 210 F CB 1.032 40.126 39.000 0.156 0.000 1.042 210 F HN 0.133 nan 8.300 nan 0.000 0.557 211 G N 0.980 110.063 108.800 0.472 0.000 2.179 211 G HA2 -0.309 3.658 3.960 0.011 0.000 0.260 211 G HA3 -0.309 3.658 3.960 0.011 0.000 0.260 211 G C 0.549 175.880 174.900 0.718 0.000 0.977 211 G CA -0.372 45.127 45.100 0.665 0.000 0.641 211 G HN 0.304 nan 8.290 nan 0.000 0.533 212 R N -0.438 120.351 120.500 0.481 0.000 2.543 212 R HA 0.449 4.796 4.340 0.011 0.000 0.277 212 R C 0.317 176.640 176.300 0.038 0.000 1.074 212 R CA -0.622 55.678 56.100 0.334 0.000 1.076 212 R CB 0.772 31.199 30.300 0.212 0.000 0.993 212 R HN 0.228 nan 8.270 nan 0.000 0.459 213 L N 4.469 125.442 121.223 -0.417 0.000 2.319 213 L HA 0.215 4.562 4.340 0.011 0.000 0.280 213 L C -0.579 176.100 176.870 -0.319 0.000 1.099 213 L CA 0.156 54.577 54.840 -0.698 0.000 0.828 213 L CB 0.681 41.813 42.059 -1.545 0.000 1.150 213 L HN 0.429 nan 8.230 nan 0.000 0.442 214 I N 6.828 127.289 120.570 -0.183 0.000 2.304 214 I HA 0.275 4.452 4.170 0.011 0.000 0.291 214 I C -0.170 175.910 176.117 -0.063 0.000 1.018 214 I CA -0.327 60.921 61.300 -0.085 0.000 1.260 214 I CB 0.884 38.861 38.000 -0.039 0.000 1.390 214 I HN 0.404 nan 8.210 nan 0.000 0.475 215 I N 6.591 127.147 120.570 -0.023 0.000 2.406 215 I HA 0.364 4.540 4.170 0.011 0.000 0.290 215 I C 0.379 176.509 176.117 0.022 0.000 0.999 215 I CA -0.656 60.663 61.300 0.033 0.000 1.124 215 I CB 1.764 39.867 38.000 0.171 0.000 1.289 215 I HN 0.517 nan 8.210 nan 0.000 0.441 216 R N 6.220 126.736 120.500 0.026 0.000 2.246 216 R HA 0.504 4.850 4.340 0.011 0.000 0.332 216 R C -1.193 175.122 176.300 0.025 0.000 0.974 216 R CA -0.706 55.399 56.100 0.010 0.000 0.837 216 R CB 0.809 31.114 30.300 0.009 0.000 1.145 216 R HN 0.372 nan 8.270 nan 0.000 0.467 217 L N 3.268 124.494 121.223 0.005 0.000 2.453 217 L HA 0.067 4.413 4.340 0.011 0.000 0.261 217 L C 1.368 178.246 176.870 0.014 0.000 1.179 217 L CA 0.350 55.202 54.840 0.021 0.000 0.813 217 L CB 0.795 42.840 42.059 -0.022 0.000 1.110 217 L HN 0.635 nan 8.230 nan 0.000 0.466 218 D N -0.255 120.160 120.400 0.025 0.000 2.228 218 D HA -0.163 4.484 4.640 0.011 0.000 0.203 218 D C 1.832 178.136 176.300 0.006 0.000 0.988 218 D CA 1.641 55.652 54.000 0.018 0.000 0.864 218 D CB 0.021 40.834 40.800 0.023 0.000 0.928 218 D HN 0.686 nan 8.370 nan 0.000 0.469 219 S N -1.027 114.672 115.700 -0.002 0.000 2.607 219 S HA 0.206 4.682 4.470 0.011 0.000 0.224 219 S C 1.766 176.357 174.600 -0.014 0.000 0.969 219 S CA 0.816 59.010 58.200 -0.009 0.000 0.927 219 S CB 0.294 63.484 63.200 -0.017 0.000 0.772 219 S HN 0.351 nan 8.310 nan 0.000 0.533 220 G N 1.009 109.801 108.800 -0.013 0.000 2.234 220 G HA2 -0.309 3.657 3.960 0.011 0.000 0.235 220 G HA3 -0.309 3.657 3.960 0.011 0.000 0.235 220 G C -0.099 174.785 174.900 -0.027 0.000 0.997 220 G CA 0.138 45.230 45.100 -0.015 0.000 0.623 220 G HN 0.774 nan 8.290 nan 0.000 0.514 221 E N 0.653 120.828 120.200 -0.041 0.000 2.442 221 E HA 0.361 4.718 4.350 0.011 0.000 0.262 221 E C -0.140 176.415 176.600 -0.075 0.000 1.004 221 E CA -0.050 56.311 56.400 -0.065 0.000 0.928 221 E CB 0.619 30.263 29.700 -0.093 0.000 0.937 221 E HN 0.222 nan 8.360 nan 0.000 0.446 222 V N 5.303 125.171 119.914 -0.077 0.000 2.417 222 V HA 0.333 4.459 4.120 0.011 0.000 0.291 222 V C -0.172 175.857 176.094 -0.108 0.000 1.024 222 V CA -0.571 61.686 62.300 -0.073 0.000 0.861 222 V CB 1.563 33.360 31.823 -0.044 0.000 0.985 222 V HN 0.645 nan 8.190 nan 0.000 0.436 223 K N 3.790 124.114 120.400 -0.126 0.000 2.316 223 K HA 0.615 4.941 4.320 0.011 0.000 0.251 223 K C -0.990 175.574 176.600 -0.059 0.000 0.934 223 K CA -0.923 55.273 56.287 -0.152 0.000 0.802 223 K CB 2.623 34.901 32.500 -0.369 0.000 1.171 223 K HN 0.519 nan 8.250 nan 0.000 0.426 224 K N 1.971 122.348 120.400 -0.037 0.000 2.293 224 K HA 0.288 4.614 4.320 0.011 0.000 0.267 224 K C -0.714 175.899 176.600 0.021 0.000 1.010 224 K CA -0.701 55.577 56.287 -0.015 0.000 0.875 224 K CB 1.626 34.121 32.500 -0.008 0.000 1.106 224 K HN 0.196 nan 8.250 nan 0.000 0.450 225 V N 5.430 125.332 119.914 -0.020 0.000 2.385 225 V HA 0.244 4.370 4.120 0.011 0.000 0.269 225 V C 0.342 176.541 176.094 0.175 0.000 1.043 225 V CA -0.608 61.710 62.300 0.030 0.000 0.906 225 V CB 0.402 32.131 31.823 -0.156 0.000 0.995 225 V HN 0.646 nan 8.190 nan 0.000 0.467 226 I N 5.445 126.181 120.570 0.276 0.000 2.428 226 I HA 0.253 4.430 4.170 0.011 0.000 0.289 226 I C -0.073 176.349 176.117 0.509 0.000 1.019 226 I CA -0.660 60.855 61.300 0.357 0.000 1.351 226 I CB 0.881 38.986 38.000 0.174 0.000 1.412 226 I HN 0.709 nan 8.210 nan 0.000 0.513 227 Y N 6.352 126.906 120.300 0.423 0.000 2.377 227 Y HA 0.632 5.189 4.550 0.013 0.000 0.330 227 Y C 0.273 176.190 175.900 0.028 0.000 1.108 227 Y CA -0.178 57.998 58.100 0.128 0.000 1.308 227 Y CB 0.828 39.095 38.460 -0.321 0.000 1.216 227 Y HN 0.690 nan 8.280 nan 0.000 0.518 228 G N 3.663 112.447 108.800 -0.026 0.000 2.825 228 G HA2 0.010 3.976 3.960 0.011 0.000 0.100 228 G HA3 0.010 3.976 3.960 0.011 0.000 0.100 228 G C -1.519 173.387 174.900 0.010 0.000 1.195 228 G CA -0.349 44.654 45.100 -0.162 0.000 1.317 228 G HN 0.550 nan 8.290 nan 0.000 0.632 229 D N 1.334 121.741 120.400 0.012 0.000 2.517 229 D HA 0.455 5.101 4.640 0.011 0.000 0.220 229 D C 0.030 176.369 176.300 0.064 0.000 1.158 229 D CA 0.127 54.148 54.000 0.034 0.000 0.992 229 D CB 0.136 40.946 40.800 0.016 0.000 1.058 229 D HN 0.919 nan 8.370 nan 0.000 0.516 230 V N -0.069 119.902 119.914 0.095 0.000 2.891 230 V HA 0.670 4.796 4.120 0.011 0.000 0.304 230 V C -0.437 175.722 176.094 0.109 0.000 1.171 230 V CA -0.906 61.462 62.300 0.113 0.000 0.943 230 V CB 1.782 33.724 31.823 0.198 0.000 1.037 230 V HN 0.169 nan 8.190 nan 0.000 0.427 231 S N 4.220 119.957 115.700 0.060 0.000 2.482 231 S HA 0.791 5.267 4.470 0.011 0.000 0.303 231 S C -0.661 173.944 174.600 0.008 0.000 1.091 231 S CA -0.580 57.645 58.200 0.042 0.000 1.057 231 S CB 1.671 64.882 63.200 0.019 0.000 1.031 231 S HN 1.029 nan 8.310 nan 0.000 0.485 232 L N 3.607 124.835 121.223 0.008 0.000 2.296 232 L HA 0.646 4.992 4.340 0.011 0.000 0.286 232 L C -0.787 175.976 176.870 -0.178 0.000 1.023 232 L CA -0.521 54.264 54.840 -0.091 0.000 0.812 232 L CB 0.574 42.605 42.059 -0.047 0.000 1.223 232 L HN 0.449 nan 8.230 nan 0.000 0.421 233 R N 4.559 124.934 120.500 -0.208 0.000 2.480 233 R HA 0.392 4.738 4.340 0.011 0.000 0.306 233 R C -1.301 174.896 176.300 -0.173 0.000 0.958 233 R CA -0.581 55.432 56.100 -0.145 0.000 0.861 233 R CB 1.628 31.897 30.300 -0.051 0.000 1.171 233 R HN 0.437 nan 8.270 nan 0.000 0.445 234 F N 2.811 122.805 119.950 0.073 0.000 2.429 234 F HA 0.186 4.722 4.527 0.015 0.000 0.348 234 F C 0.912 176.716 175.800 0.007 0.000 1.109 234 F CA -0.232 57.806 58.000 0.063 0.000 1.232 234 F CB 0.494 39.565 39.000 0.117 0.000 1.157 234 F HN 0.081 nan 8.300 nan 0.000 0.564 235 L N 0.000 121.337 121.223 0.190 0.000 2.949 235 L HA 0.000 4.346 4.340 0.011 0.000 0.249 235 L CA 0.000 54.890 54.840 0.084 0.000 0.813 235 L CB 0.000 42.095 42.059 0.060 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502