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 1wqw_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 0.000 176.295 176.300 -0.009 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 L N 1.606 122.829 121.223 -0.000 0.000 2.313 2 L HA 0.413 4.761 4.340 0.014 0.000 0.214 2 L C 1.465 178.356 176.870 0.035 0.000 1.119 2 L CA 1.063 55.913 54.840 0.016 0.000 0.809 2 L CB -0.486 41.595 42.059 0.038 0.000 0.933 2 L HN 0.868 nan 8.230 nan 0.000 0.449 3 G N 1.286 110.104 108.800 0.030 0.000 2.273 3 G HA2 -0.283 3.685 3.960 0.014 0.000 0.280 3 G HA3 -0.283 3.685 3.960 0.014 0.000 0.280 3 G C 0.220 175.144 174.900 0.040 0.000 1.047 3 G CA -0.108 45.010 45.100 0.030 0.000 0.869 3 G HN 0.237 nan 8.290 nan 0.000 0.502 4 L N -0.659 120.597 121.223 0.055 0.000 2.456 4 L HA 0.251 4.599 4.340 0.014 0.000 0.272 4 L C 1.231 178.124 176.870 0.039 0.000 1.189 4 L CA 0.037 54.911 54.840 0.057 0.000 0.846 4 L CB 0.552 42.658 42.059 0.079 0.000 1.111 4 L HN -0.026 nan 8.230 nan 0.000 0.475 5 K N 1.225 121.643 120.400 0.029 0.000 2.478 5 K HA 0.151 4.479 4.320 0.014 0.000 0.205 5 K C 0.350 176.964 176.600 0.023 0.000 1.033 5 K CA -0.062 56.240 56.287 0.024 0.000 1.091 5 K CB 0.389 32.900 32.500 0.018 0.000 0.844 5 K HN 0.735 nan 8.250 nan 0.000 0.507 6 T N -1.986 112.583 114.554 0.024 0.000 2.860 6 T HA 0.188 4.546 4.350 0.014 0.000 0.299 6 T C 1.374 176.096 174.700 0.037 0.000 1.045 6 T CA -0.293 61.822 62.100 0.026 0.000 1.071 6 T CB 1.462 70.340 68.868 0.018 0.000 0.985 6 T HN -0.115 nan 8.240 nan 0.000 0.537 7 S N 0.476 116.203 115.700 0.046 0.000 2.388 7 S HA 0.178 4.656 4.470 0.014 0.000 0.223 7 S C 1.548 176.189 174.600 0.068 0.000 1.034 7 S CA 0.315 58.547 58.200 0.053 0.000 0.963 7 S CB -0.311 62.921 63.200 0.053 0.000 0.827 7 S HN 0.709 nan 8.310 nan 0.000 0.481 8 I N -0.198 120.425 120.570 0.089 0.000 3.650 8 I HA 0.263 4.442 4.170 0.014 0.000 0.261 8 I C -0.273 175.881 176.117 0.062 0.000 1.154 8 I CA 0.031 61.392 61.300 0.103 0.000 1.418 8 I CB 0.267 38.385 38.000 0.195 0.000 1.539 8 I HN 0.023 nan 8.210 nan 0.000 0.449 9 I N 2.768 123.364 120.570 0.043 0.000 2.494 9 I HA 0.150 4.328 4.170 0.014 0.000 0.289 9 I C 0.970 177.086 176.117 -0.001 0.000 1.106 9 I CA 0.721 62.011 61.300 -0.016 0.000 1.369 9 I CB 0.145 38.107 38.000 -0.063 0.000 1.410 9 I HN 0.585 nan 8.210 nan 0.000 0.523 10 G N 5.208 114.022 108.800 0.024 0.000 2.168 10 G HA2 -0.217 3.751 3.960 0.014 0.000 0.197 10 G HA3 -0.217 3.751 3.960 0.014 0.000 0.197 10 G C 1.072 176.014 174.900 0.071 0.000 0.997 10 G CA -0.317 44.819 45.100 0.059 0.000 0.658 10 G HN 0.628 nan 8.290 nan 0.000 0.513 11 R N -0.330 120.206 120.500 0.060 0.000 2.127 11 R HA 0.027 4.375 4.340 0.014 0.000 0.238 11 R C 1.136 177.476 176.300 0.066 0.000 1.134 11 R CA 1.242 57.377 56.100 0.059 0.000 0.975 11 R CB -0.005 30.328 30.300 0.055 0.000 0.865 11 R HN 0.408 nan 8.270 nan 0.000 0.447 12 R N -0.442 120.105 120.500 0.078 0.000 2.698 12 R HA 0.465 4.813 4.340 0.014 0.000 0.275 12 R C -1.530 174.837 176.300 0.111 0.000 1.001 12 R CA -0.693 55.458 56.100 0.084 0.000 0.896 12 R CB 2.943 33.291 30.300 0.081 0.000 1.218 12 R HN -0.173 nan 8.270 nan 0.000 0.462 13 V N 3.716 123.696 119.914 0.111 0.000 2.623 13 V HA 0.461 4.590 4.120 0.014 0.000 0.304 13 V C -0.526 175.628 176.094 0.099 0.000 1.054 13 V CA -0.655 61.729 62.300 0.140 0.000 0.882 13 V CB 2.169 34.091 31.823 0.164 0.000 1.002 13 V HN 0.610 nan 8.190 nan 0.000 0.424 14 I N 5.236 125.877 120.570 0.119 0.000 2.354 14 I HA 0.389 4.568 4.170 0.014 0.000 0.286 14 I C -0.912 175.243 176.117 0.062 0.000 1.007 14 I CA -0.622 60.699 61.300 0.035 0.000 1.167 14 I CB 1.097 39.133 38.000 0.060 0.000 1.320 14 I HN 0.698 nan 8.210 nan 0.000 0.458 15 Y N 7.821 128.020 120.300 -0.168 0.000 2.342 15 Y HA 0.624 5.182 4.550 0.013 0.000 0.334 15 Y C -1.537 174.216 175.900 -0.245 0.000 1.067 15 Y CA -0.587 57.452 58.100 -0.102 0.000 1.128 15 Y CB 0.981 39.358 38.460 -0.139 0.000 1.200 15 Y HN 0.302 nan 8.280 nan 0.000 0.464 16 F N 4.055 123.380 119.950 -1.041 0.000 2.540 16 F HA 0.354 4.889 4.527 0.013 0.000 0.317 16 F C 0.915 176.102 175.800 -1.021 0.000 1.104 16 F CA -0.787 56.683 58.000 -0.883 0.000 0.913 16 F CB 2.312 41.028 39.000 -0.473 0.000 1.170 16 F HN 0.590 nan 8.300 nan 0.000 0.450 17 Q N 0.685 120.187 119.800 -0.497 0.000 2.119 17 Q HA -0.076 4.272 4.340 0.014 0.000 0.201 17 Q C 0.119 176.081 176.000 -0.062 0.000 0.972 17 Q CA 1.270 56.956 55.803 -0.195 0.000 0.847 17 Q CB 0.496 29.210 28.738 -0.039 0.000 0.903 17 Q HN 0.689 nan 8.270 nan 0.000 0.433 18 E N -0.408 119.773 120.200 -0.032 0.000 2.352 18 E HA 0.555 4.913 4.350 0.014 0.000 0.280 18 E C -1.874 174.696 176.600 -0.050 0.000 0.930 18 E CA -0.370 56.019 56.400 -0.019 0.000 0.765 18 E CB 1.812 31.509 29.700 -0.006 0.000 1.219 18 E HN 0.069 nan 8.360 nan 0.000 0.434 19 I N 1.882 122.369 120.570 -0.138 0.000 3.102 19 I HA 0.265 4.443 4.170 0.014 0.000 0.310 19 I C 1.100 177.116 176.117 -0.168 0.000 1.246 19 I CA -0.335 60.805 61.300 -0.266 0.000 0.979 19 I CB 2.264 39.866 38.000 -0.663 0.000 1.267 19 I HN 0.848 nan 8.210 nan 0.000 0.451 20 T N 0.619 115.091 114.554 -0.137 0.000 2.668 20 T HA 0.016 4.374 4.350 0.014 0.000 0.262 20 T C 0.651 175.304 174.700 -0.079 0.000 1.045 20 T CA 0.956 63.013 62.100 -0.073 0.000 1.152 20 T CB -0.204 68.647 68.868 -0.029 0.000 0.864 20 T HN 0.528 nan 8.240 nan 0.000 0.419 21 S N 0.181 115.825 115.700 -0.094 0.000 2.584 21 S HA 0.413 4.891 4.470 0.014 0.000 0.280 21 S C 0.829 175.364 174.600 -0.109 0.000 1.162 21 S CA 0.031 58.177 58.200 -0.091 0.000 0.951 21 S CB 1.412 64.607 63.200 -0.008 0.000 1.108 21 S HN 0.537 nan 8.310 nan 0.000 0.464 22 T N 2.876 117.349 114.554 -0.134 0.000 2.833 22 T HA -0.090 4.269 4.350 0.014 0.000 0.269 22 T C 1.435 176.124 174.700 -0.018 0.000 1.054 22 T CA 1.681 63.718 62.100 -0.103 0.000 1.135 22 T CB -0.627 68.205 68.868 -0.059 0.000 0.869 22 T HN 0.532 nan 8.240 nan 0.000 0.466 23 N N 1.199 119.857 118.700 -0.070 0.000 2.142 23 N HA -0.043 4.705 4.740 0.014 0.000 0.186 23 N C 2.063 177.579 175.510 0.009 0.000 1.023 23 N CA 1.101 54.118 53.050 -0.055 0.000 0.852 23 N CB -0.214 38.181 38.487 -0.154 0.000 0.998 23 N HN 0.425 nan 8.380 nan 0.000 0.424 24 E N -0.200 120.025 120.200 0.042 0.000 2.072 24 E HA -0.144 4.215 4.350 0.014 0.000 0.191 24 E C 1.765 178.380 176.600 0.024 0.000 0.985 24 E CA 0.535 56.965 56.400 0.050 0.000 0.801 24 E CB -0.505 29.239 29.700 0.072 0.000 0.750 24 E HN 0.404 nan 8.360 nan 0.000 0.452 25 F N 1.558 121.451 119.950 -0.094 0.000 2.134 25 F HA -0.170 4.365 4.527 0.014 0.000 0.299 25 F C 2.246 178.013 175.800 -0.054 0.000 1.097 25 F CA 1.549 59.495 58.000 -0.091 0.000 1.264 25 F CB -0.137 38.762 39.000 -0.169 0.000 1.001 25 F HN -0.008 nan 8.300 nan 0.000 0.479 26 A N 0.124 123.022 122.820 0.130 0.000 1.930 26 A HA -0.161 4.167 4.320 0.014 0.000 0.217 26 A C 2.232 179.777 177.584 -0.065 0.000 1.175 26 A CA 1.645 53.715 52.037 0.055 0.000 0.627 26 A CB -0.582 18.465 19.000 0.078 0.000 0.815 26 A HN 0.433 nan 8.150 nan 0.000 0.443 27 K N -0.933 119.427 120.400 -0.068 0.000 2.057 27 K HA -0.073 4.256 4.320 0.014 0.000 0.206 27 K C 2.040 178.544 176.600 -0.161 0.000 1.050 27 K CA 1.732 57.966 56.287 -0.088 0.000 0.935 27 K CB -0.307 32.160 32.500 -0.055 0.000 0.715 27 K HN 0.455 nan 8.250 nan 0.000 0.439 28 T N 0.959 115.386 114.554 -0.212 0.000 2.851 28 T HA -0.010 4.348 4.350 0.014 0.000 0.262 28 T C 1.014 175.447 174.700 -0.445 0.000 1.043 28 T CA 0.545 62.470 62.100 -0.292 0.000 1.140 28 T CB 0.080 68.794 68.868 -0.256 0.000 0.872 28 T HN 0.077 nan 8.240 nan 0.000 0.446 29 S N 0.591 115.977 115.700 -0.523 0.000 2.603 29 S HA 0.342 4.820 4.470 0.014 0.000 0.268 29 S C -0.778 173.594 174.600 -0.381 0.000 1.317 29 S CA -0.609 57.264 58.200 -0.545 0.000 1.012 29 S CB 0.187 62.925 63.200 -0.771 0.000 0.926 29 S HN 0.262 nan 8.310 nan 0.000 0.539 30 Y N 1.693 121.926 120.300 -0.111 0.000 2.504 30 Y HA 0.448 5.006 4.550 0.014 0.000 0.351 30 Y C 0.115 176.005 175.900 -0.017 0.000 0.988 30 Y CA -0.262 57.809 58.100 -0.048 0.000 1.239 30 Y CB -0.341 38.101 38.460 -0.030 0.000 1.128 30 Y HN 0.312 nan 8.280 nan 0.000 0.525 31 L N 2.901 124.198 121.223 0.124 0.000 2.371 31 L HA 0.510 4.859 4.340 0.014 0.000 0.262 31 L C -0.255 176.671 176.870 0.094 0.000 1.006 31 L CA -1.313 53.592 54.840 0.108 0.000 0.818 31 L CB 2.041 44.158 42.059 0.096 0.000 1.354 31 L HN 0.335 nan 8.230 nan 0.000 0.415 32 E N 1.085 121.338 120.200 0.087 0.000 2.349 32 E HA 0.123 4.481 4.350 0.014 0.000 0.265 32 E C -0.569 176.067 176.600 0.060 0.000 1.064 32 E CA -0.402 56.041 56.400 0.071 0.000 0.886 32 E CB 1.271 31.011 29.700 0.067 0.000 1.036 32 E HN 0.463 nan 8.360 nan 0.000 0.413 33 E N -0.175 120.059 120.200 0.056 0.000 2.414 33 E HA 0.115 4.474 4.350 0.014 0.000 0.263 33 E C 0.671 177.292 176.600 0.036 0.000 1.000 33 E CA 0.858 57.285 56.400 0.044 0.000 0.914 33 E CB 0.145 29.887 29.700 0.070 0.000 0.948 33 E HN 0.692 nan 8.360 nan 0.000 0.444 34 G N 3.185 111.981 108.800 -0.006 0.000 2.217 34 G HA2 -0.258 3.710 3.960 0.014 0.000 0.246 34 G HA3 -0.258 3.710 3.960 0.014 0.000 0.246 34 G C 0.373 175.285 174.900 0.019 0.000 0.990 34 G CA 0.283 45.377 45.100 -0.010 0.000 0.627 34 G HN 0.621 nan 8.290 nan 0.000 0.522 35 T N 1.336 115.917 114.554 0.044 0.000 2.888 35 T HA 0.451 4.810 4.350 0.014 0.000 0.301 35 T C 0.444 175.198 174.700 0.089 0.000 1.001 35 T CA 0.259 62.408 62.100 0.082 0.000 1.147 35 T CB 1.977 70.910 68.868 0.107 0.000 0.931 35 T HN 0.482 nan 8.240 nan 0.000 0.541 36 V N 5.498 125.487 119.914 0.124 0.000 2.398 36 V HA 0.398 4.526 4.120 0.014 0.000 0.286 36 V C -0.050 176.160 176.094 0.194 0.000 1.026 36 V CA -0.903 61.488 62.300 0.152 0.000 0.868 36 V CB 1.415 33.365 31.823 0.213 0.000 0.982 36 V HN 0.690 nan 8.190 nan 0.000 0.443 37 I N 5.520 126.200 120.570 0.182 0.000 2.339 37 I HA 0.542 4.720 4.170 0.014 0.000 0.290 37 I C -0.216 176.002 176.117 0.168 0.000 0.994 37 I CA -0.345 61.072 61.300 0.195 0.000 1.191 37 I CB 1.458 39.561 38.000 0.172 0.000 1.343 37 I HN 0.387 nan 8.210 nan 0.000 0.458 38 V N 5.953 125.990 119.914 0.204 0.000 2.841 38 V HA 0.930 5.059 4.120 0.014 0.000 0.310 38 V C -0.981 175.218 176.094 0.175 0.000 1.090 38 V CA -0.278 62.135 62.300 0.187 0.000 0.930 38 V CB 2.085 34.022 31.823 0.190 0.000 1.014 38 V HN 0.909 nan 8.190 nan 0.000 0.425 39 A N 3.692 126.604 122.820 0.152 0.000 2.475 39 A HA 0.658 4.986 4.320 0.014 0.000 0.301 39 A C 0.190 177.905 177.584 0.219 0.000 1.059 39 A CA -0.398 51.700 52.037 0.102 0.000 0.710 39 A CB 1.617 20.616 19.000 -0.001 0.000 1.288 39 A HN 0.793 nan 8.150 nan 0.000 0.408 40 D N 0.574 121.074 120.400 0.167 0.000 2.144 40 D HA -0.034 4.614 4.640 0.014 0.000 0.199 40 D C 0.442 176.954 176.300 0.354 0.000 0.984 40 D CA 1.888 56.022 54.000 0.223 0.000 0.834 40 D CB 0.162 41.071 40.800 0.181 0.000 0.955 40 D HN 0.697 nan 8.370 nan 0.000 0.465 41 K N -0.580 119.982 120.400 0.270 0.000 2.551 41 K HA 0.474 4.802 4.320 0.014 0.000 0.269 41 K C -1.154 175.458 176.600 0.019 0.000 0.949 41 K CA -0.869 55.538 56.287 0.200 0.000 0.849 41 K CB 1.905 34.473 32.500 0.113 0.000 1.411 41 K HN -0.258 nan 8.250 nan 0.000 0.432 42 Q N 0.810 120.525 119.800 -0.143 0.000 2.342 42 Q HA 0.250 4.598 4.340 0.014 0.000 0.267 42 Q C 0.074 175.993 176.000 -0.135 0.000 1.038 42 Q CA -0.727 54.982 55.803 -0.157 0.000 0.832 42 Q CB 2.322 30.930 28.738 -0.216 0.000 1.323 42 Q HN 0.903 nan 8.270 nan 0.000 0.448 43 T N -1.801 112.698 114.554 -0.092 0.000 3.051 43 T HA 0.179 4.537 4.350 0.014 0.000 0.255 43 T C 0.933 175.600 174.700 -0.055 0.000 1.085 43 T CA 0.304 62.364 62.100 -0.067 0.000 1.109 43 T CB 0.327 69.168 68.868 -0.045 0.000 0.921 43 T HN 0.429 nan 8.240 nan 0.000 0.488 44 M N 2.136 121.709 119.600 -0.045 0.000 3.404 44 M HA 0.387 4.875 4.480 0.014 0.000 0.398 44 M C 0.541 176.864 176.300 0.040 0.000 1.599 44 M CA -0.616 54.684 55.300 -0.001 0.000 0.696 44 M CB 0.700 33.307 32.600 0.012 0.000 1.427 44 M HN 0.301 nan 8.290 nan 0.000 0.502 45 G N 1.432 110.222 108.800 -0.016 0.000 2.491 45 G HA2 0.359 4.327 3.960 0.014 0.000 0.242 45 G HA3 0.359 4.327 3.960 0.014 0.000 0.242 45 G C -0.308 174.657 174.900 0.108 0.000 1.266 45 G CA 0.084 45.174 45.100 -0.016 0.000 0.844 45 G HN 0.685 nan 8.290 nan 0.000 0.571 46 H N -0.443 118.644 119.070 0.027 0.000 3.008 46 H HA 0.728 5.293 4.556 0.014 0.000 0.354 46 H C 0.010 175.335 175.328 -0.004 0.000 1.252 46 H CA -0.516 55.560 56.048 0.047 0.000 1.117 46 H CB 1.403 31.164 29.762 -0.000 0.000 1.857 46 H HN 0.723 nan 8.280 nan 0.000 0.547 47 G N 0.262 109.167 108.800 0.174 0.000 3.122 47 G HA2 0.212 4.181 3.960 0.014 0.000 0.180 47 G HA3 0.212 4.181 3.960 0.014 0.000 0.180 47 G C 0.719 175.681 174.900 0.102 0.000 1.279 47 G CA -0.702 44.425 45.100 0.044 0.000 0.987 47 G HN 0.657 nan 8.290 nan 0.000 0.589 48 R N -1.514 119.012 120.500 0.042 0.000 2.313 48 R HA -0.231 4.118 4.340 0.014 0.000 0.210 48 R C 1.935 178.252 176.300 0.029 0.000 1.096 48 R CA 2.588 58.700 56.100 0.020 0.000 0.681 48 R CB -0.843 29.461 30.300 0.006 0.000 0.918 48 R HN 0.407 nan 8.270 nan 0.000 0.333 49 L N -1.146 120.092 121.223 0.025 0.000 2.292 49 L HA 0.029 4.378 4.340 0.014 0.000 0.196 49 L C 0.870 177.719 176.870 -0.034 0.000 1.246 49 L CA 2.051 56.885 54.840 -0.010 0.000 0.864 49 L CB -0.447 41.599 42.059 -0.022 0.000 1.044 49 L HN 0.409 nan 8.230 nan 0.000 0.504 50 N N -0.881 117.798 118.700 -0.036 0.000 2.110 50 N HA 0.113 4.861 4.740 0.014 0.000 0.230 50 N C -0.494 175.024 175.510 0.014 0.000 1.353 50 N CA -0.314 52.678 53.050 -0.097 0.000 0.807 50 N CB 0.680 39.086 38.487 -0.135 0.000 1.244 50 N HN 0.112 nan 8.380 nan 0.000 0.504 51 R N 1.377 121.912 120.500 0.057 0.000 2.570 51 R HA 0.013 4.361 4.340 0.014 0.000 0.277 51 R C 0.220 176.596 176.300 0.126 0.000 1.039 51 R CA 0.012 56.157 56.100 0.074 0.000 1.065 51 R CB 0.510 30.859 30.300 0.081 0.000 0.964 51 R HN 0.124 nan 8.270 nan 0.000 0.428 52 K N 3.656 124.108 120.400 0.087 0.000 2.412 52 K HA -0.043 4.285 4.320 0.014 0.000 0.281 52 K C -0.755 175.921 176.600 0.126 0.000 1.027 52 K CA 0.259 56.597 56.287 0.086 0.000 0.989 52 K CB 0.527 33.034 32.500 0.013 0.000 0.935 52 K HN 0.621 nan 8.250 nan 0.000 0.475 53 W N 6.305 127.554 121.300 -0.085 0.000 2.318 53 W HA 0.200 4.869 4.660 0.014 0.000 0.315 53 W C -0.828 175.545 176.519 -0.245 0.000 1.033 53 W CA -0.593 56.664 57.345 -0.147 0.000 1.275 53 W CB 0.678 30.033 29.460 -0.176 0.000 1.250 53 W HN 0.635 nan 8.180 nan 0.000 0.421 54 E N 2.996 122.787 120.200 -0.683 0.000 2.415 54 E HA 0.027 4.385 4.350 0.014 0.000 0.260 54 E C 0.014 176.111 176.600 -0.839 0.000 1.016 54 E CA 0.591 56.642 56.400 -0.582 0.000 0.924 54 E CB 0.681 30.105 29.700 -0.460 0.000 0.961 54 E HN 0.188 nan 8.360 nan 0.000 0.459 55 S N 4.954 120.238 115.700 -0.694 0.000 2.139 55 S HA 0.220 4.698 4.470 0.014 0.000 0.183 55 S C -2.238 172.108 174.600 -0.423 0.000 1.473 55 S CA -1.045 56.456 58.200 -1.166 0.000 1.263 55 S CB 0.353 62.842 63.200 -1.186 0.000 1.170 55 S HN 0.442 nan 8.310 nan 0.000 0.430 56 P HA 0.243 nan 4.420 nan 0.000 0.276 56 P C -0.402 177.129 177.300 0.385 0.000 1.261 56 P CA -0.471 62.716 63.100 0.144 0.000 0.800 56 P CB 0.761 32.510 31.700 0.082 0.000 1.066 57 E N -0.536 119.806 120.200 0.236 0.000 2.413 57 E HA 0.299 4.657 4.350 0.014 0.000 0.263 57 E C 1.028 177.722 176.600 0.157 0.000 1.015 57 E CA 0.876 57.401 56.400 0.209 0.000 0.916 57 E CB -0.320 29.451 29.700 0.119 0.000 0.947 57 E HN 0.818 nan 8.360 nan 0.000 0.440 58 G N 1.923 110.771 108.800 0.080 0.000 2.284 58 G HA2 -0.170 3.799 3.960 0.014 0.000 0.201 58 G HA3 -0.170 3.799 3.960 0.014 0.000 0.201 58 G C 0.432 175.251 174.900 -0.136 0.000 0.998 58 G CA -0.385 44.712 45.100 -0.006 0.000 0.651 58 G HN 0.814 nan 8.290 nan 0.000 0.489 59 G N -0.624 108.015 108.800 -0.268 0.000 2.521 59 G HA2 0.695 4.663 3.960 0.014 0.000 0.323 59 G HA3 0.695 4.663 3.960 0.014 0.000 0.323 59 G C -0.914 173.178 174.900 -1.347 0.000 1.211 59 G CA -0.647 43.903 45.100 -0.918 0.000 0.979 59 G HN 0.883 nan 8.290 nan 0.000 0.490 60 L N 0.464 120.921 121.223 -1.277 0.000 2.277 60 L HA 0.594 4.942 4.340 0.014 0.000 0.284 60 L C -1.416 175.124 176.870 -0.550 0.000 1.028 60 L CA -1.175 53.239 54.840 -0.709 0.000 0.835 60 L CB 0.301 42.184 42.059 -0.292 0.000 1.215 60 L HN 0.514 nan 8.230 nan 0.000 0.425 61 W N 7.726 129.085 121.300 0.099 0.000 2.336 61 W HA 0.615 5.282 4.660 0.011 0.000 0.315 61 W C -0.896 175.647 176.519 0.040 0.000 1.016 61 W CA -0.994 56.389 57.345 0.064 0.000 1.318 61 W CB 0.948 30.448 29.460 0.067 0.000 1.247 61 W HN 0.383 nan 8.180 nan 0.000 0.414 62 L N 0.527 121.868 121.223 0.196 0.000 2.479 62 L HA 0.944 5.292 4.340 0.014 0.000 0.255 62 L C -0.422 176.479 176.870 0.052 0.000 1.026 62 L CA -1.121 53.800 54.840 0.134 0.000 0.842 62 L CB 1.967 44.133 42.059 0.177 0.000 1.444 62 L HN 0.047 nan 8.230 nan 0.000 0.409 63 S N 0.820 116.550 115.700 0.049 0.000 2.549 63 S HA 0.854 5.332 4.470 0.014 0.000 0.280 63 S C -0.837 173.773 174.600 0.016 0.000 1.109 63 S CA -0.410 57.792 58.200 0.004 0.000 0.905 63 S CB 1.560 64.761 63.200 0.001 0.000 1.081 63 S HN 0.590 nan 8.310 nan 0.000 0.477 64 I N 1.817 122.367 120.570 -0.034 0.000 2.498 64 I HA 0.402 4.581 4.170 0.014 0.000 0.290 64 I C -0.815 175.258 176.117 -0.073 0.000 1.032 64 I CA -1.008 60.260 61.300 -0.052 0.000 1.073 64 I CB 1.948 39.879 38.000 -0.114 0.000 1.251 64 I HN 0.263 nan 8.210 nan 0.000 0.426 65 V N 7.240 127.127 119.914 -0.044 0.000 2.432 65 V HA 0.385 4.513 4.120 0.014 0.000 0.271 65 V C 0.089 176.128 176.094 -0.091 0.000 1.046 65 V CA -0.146 62.129 62.300 -0.043 0.000 0.945 65 V CB 0.922 32.750 31.823 0.008 0.000 0.992 65 V HN 0.449 nan 8.190 nan 0.000 0.471 66 L N 3.729 124.891 121.223 -0.102 0.000 2.354 66 L HA 0.640 4.989 4.340 0.014 0.000 0.264 66 L C 0.080 176.957 176.870 0.012 0.000 1.008 66 L CA -0.368 54.399 54.840 -0.122 0.000 0.819 66 L CB 2.301 44.200 42.059 -0.267 0.000 1.339 66 L HN 0.536 nan 8.230 nan 0.000 0.420 67 S N 1.663 117.426 115.700 0.105 0.000 2.359 67 S HA 0.397 4.875 4.470 0.014 0.000 0.148 67 S C -2.577 172.139 174.600 0.194 0.000 1.610 67 S CA -1.091 57.182 58.200 0.122 0.000 1.274 67 S CB 0.224 63.481 63.200 0.094 0.000 1.380 67 S HN 0.300 nan 8.310 nan 0.000 0.380 68 P HA 0.191 nan 4.420 nan 0.000 0.264 68 P C -0.203 177.191 177.300 0.158 0.000 1.193 68 P CA -0.037 63.233 63.100 0.285 0.000 0.763 68 P CB 0.375 32.305 31.700 0.384 0.000 0.810 69 K N 1.325 121.783 120.400 0.097 0.000 2.410 69 K HA 0.135 4.463 4.320 0.014 0.000 0.200 69 K C 0.721 177.330 176.600 0.015 0.000 1.023 69 K CA -0.205 56.111 56.287 0.048 0.000 1.149 69 K CB 0.046 32.561 32.500 0.026 0.000 0.859 69 K HN 0.373 nan 8.250 nan 0.000 0.514 70 V N -0.645 119.276 119.914 0.012 0.000 3.264 70 V HA 0.249 4.377 4.120 0.014 0.000 0.304 70 V C -2.393 173.698 176.094 -0.006 0.000 1.086 70 V CA -2.262 60.005 62.300 -0.054 0.000 1.090 70 V CB 0.094 31.811 31.823 -0.177 0.000 1.112 70 V HN -0.066 nan 8.190 nan 0.000 0.472 71 P HA 0.076 nan 4.420 nan 0.000 0.265 71 P C 0.610 177.940 177.300 0.050 0.000 1.187 71 P CA 0.090 63.195 63.100 0.009 0.000 0.766 71 P CB 0.319 32.015 31.700 -0.007 0.000 0.820 72 Q N 2.587 122.423 119.800 0.060 0.000 2.197 72 Q HA -0.222 4.126 4.340 0.014 0.000 0.207 72 Q C 1.382 177.446 176.000 0.106 0.000 0.984 72 Q CA 1.849 57.699 55.803 0.079 0.000 0.869 72 Q CB -0.480 28.299 28.738 0.067 0.000 0.906 72 Q HN 0.553 nan 8.270 nan 0.000 0.426 73 K N 0.559 121.028 120.400 0.115 0.000 2.280 73 K HA -0.108 4.221 4.320 0.014 0.000 0.202 73 K C 1.472 178.179 176.600 0.179 0.000 1.047 73 K CA 1.125 57.516 56.287 0.174 0.000 0.942 73 K CB 0.124 32.741 32.500 0.196 0.000 0.739 73 K HN 0.200 nan 8.250 nan 0.000 0.457 74 D N 0.520 121.001 120.400 0.135 0.000 2.271 74 D HA -0.001 4.647 4.640 0.014 0.000 0.206 74 D C 1.830 178.307 176.300 0.294 0.000 0.967 74 D CA 0.463 54.570 54.000 0.178 0.000 0.867 74 D CB 0.119 40.955 40.800 0.059 0.000 0.960 74 D HN 0.115 nan 8.370 nan 0.000 0.509 75 L N 1.053 122.412 121.223 0.226 0.000 2.103 75 L HA -0.192 4.156 4.340 0.014 0.000 0.215 75 L C -0.536 176.364 176.870 0.051 0.000 1.080 75 L CA 1.509 56.452 54.840 0.171 0.000 0.764 75 L CB -1.891 40.234 42.059 0.111 0.000 0.890 75 L HN 0.018 nan 8.230 nan 0.000 0.435 76 P HA -0.154 nan 4.420 nan 0.000 0.229 76 P C 0.900 178.038 177.300 -0.271 0.000 1.150 76 P CA 1.202 64.245 63.100 -0.095 0.000 0.765 76 P CB -0.044 31.673 31.700 0.029 0.000 0.783 77 K N -1.006 119.329 120.400 -0.108 0.000 2.444 77 K HA 0.110 4.438 4.320 0.014 0.000 0.193 77 K C 1.361 177.760 176.600 -0.335 0.000 1.024 77 K CA 0.152 56.362 56.287 -0.127 0.000 1.077 77 K CB -0.066 32.609 32.500 0.291 0.000 0.833 77 K HN 0.151 nan 8.250 nan 0.000 0.517 78 I N 0.816 121.136 120.570 -0.417 0.000 2.394 78 I HA -0.203 3.976 4.170 0.014 0.000 0.251 78 I C 2.303 178.192 176.117 -0.380 0.000 1.136 78 I CA 1.032 62.072 61.300 -0.433 0.000 1.425 78 I CB -0.919 36.886 38.000 -0.326 0.000 1.079 78 I HN -0.032 nan 8.210 nan 0.000 0.425 79 V N 0.991 120.597 119.914 -0.513 0.000 2.407 79 V HA -0.285 3.844 4.120 0.014 0.000 0.248 79 V C 2.453 178.368 176.094 -0.297 0.000 1.055 79 V CA 1.784 63.795 62.300 -0.482 0.000 1.049 79 V CB -0.470 30.910 31.823 -0.737 0.000 0.662 79 V HN 0.145 nan 8.190 nan 0.000 0.455 80 F N 0.052 119.872 119.950 -0.216 0.000 2.216 80 F HA -0.045 4.490 4.527 0.013 0.000 0.300 80 F C 2.149 177.880 175.800 -0.116 0.000 1.085 80 F CA 1.172 59.092 58.000 -0.134 0.000 1.326 80 F CB -1.018 37.936 39.000 -0.076 0.000 1.027 80 F HN 0.141 nan 8.300 nan 0.000 0.497 81 L N -0.501 120.727 121.223 0.007 0.000 2.042 81 L HA -0.168 4.181 4.340 0.014 0.000 0.210 81 L C 2.759 179.606 176.870 -0.038 0.000 1.076 81 L CA 1.519 56.337 54.840 -0.037 0.000 0.749 81 L CB -1.432 40.544 42.059 -0.138 0.000 0.893 81 L HN 0.257 nan 8.230 nan 0.000 0.432 82 G N -0.604 108.150 108.800 -0.077 0.000 2.404 82 G HA2 -0.207 3.761 3.960 0.014 0.000 0.215 82 G HA3 -0.207 3.761 3.960 0.014 0.000 0.215 82 G C 1.777 176.656 174.900 -0.035 0.000 1.174 82 G CA 0.764 45.819 45.100 -0.076 0.000 0.780 82 G HN 0.460 nan 8.290 nan 0.000 0.537 83 A N 0.134 122.951 122.820 -0.005 0.000 1.877 83 A HA 0.073 4.401 4.320 0.014 0.000 0.216 83 A C 2.599 180.203 177.584 0.033 0.000 1.186 83 A CA 1.867 53.920 52.037 0.028 0.000 0.620 83 A CB -0.671 18.377 19.000 0.079 0.000 0.822 83 A HN 0.256 nan 8.150 nan 0.000 0.443 84 V N -0.051 119.888 119.914 0.041 0.000 2.358 84 V HA -0.159 3.970 4.120 0.014 0.000 0.246 84 V C 2.810 178.915 176.094 0.018 0.000 1.047 84 V CA 1.846 64.164 62.300 0.030 0.000 1.035 84 V CB -1.435 30.409 31.823 0.035 0.000 0.658 84 V HN 0.617 nan 8.190 nan 0.000 0.452 85 G N -0.142 108.663 108.800 0.008 0.000 2.440 85 G HA2 -0.213 3.756 3.960 0.014 0.000 0.218 85 G HA3 -0.213 3.756 3.960 0.014 0.000 0.218 85 G C 1.668 176.568 174.900 -0.000 0.000 1.154 85 G CA 1.290 46.388 45.100 -0.003 0.000 0.767 85 G HN 0.387 nan 8.290 nan 0.000 0.552 86 V N 0.408 120.321 119.914 -0.002 0.000 2.358 86 V HA -0.161 3.968 4.120 0.014 0.000 0.246 86 V C 3.027 179.134 176.094 0.020 0.000 1.047 86 V CA 1.437 63.739 62.300 0.003 0.000 1.035 86 V CB -0.370 31.455 31.823 0.003 0.000 0.658 86 V HN 0.247 nan 8.190 nan 0.000 0.452 87 V N 0.025 119.952 119.914 0.023 0.000 2.332 87 V HA -0.289 3.840 4.120 0.014 0.000 0.248 87 V C 2.438 178.552 176.094 0.034 0.000 1.055 87 V CA 2.194 64.510 62.300 0.027 0.000 1.038 87 V CB -0.678 31.158 31.823 0.022 0.000 0.651 87 V HN 0.638 nan 8.190 nan 0.000 0.450 88 E N -0.347 119.871 120.200 0.030 0.000 2.077 88 E HA -0.198 4.160 4.350 0.014 0.000 0.193 88 E C 2.298 178.934 176.600 0.059 0.000 0.989 88 E CA 1.783 58.203 56.400 0.033 0.000 0.800 88 E CB -0.328 29.386 29.700 0.023 0.000 0.746 88 E HN 0.554 nan 8.360 nan 0.000 0.452 89 T N 1.658 116.256 114.554 0.073 0.000 2.746 89 T HA -0.110 4.248 4.350 0.014 0.000 0.267 89 T C 1.967 176.810 174.700 0.238 0.000 1.039 89 T CA 0.782 62.971 62.100 0.148 0.000 1.142 89 T CB -0.184 68.745 68.868 0.101 0.000 0.866 89 T HN 0.079 nan 8.240 nan 0.000 0.444 90 L N 0.427 121.731 121.223 0.135 0.000 2.042 90 L HA -0.138 4.211 4.340 0.014 0.000 0.210 90 L C 2.624 179.586 176.870 0.154 0.000 1.076 90 L CA 1.496 56.416 54.840 0.133 0.000 0.749 90 L CB -0.462 41.633 42.059 0.059 0.000 0.893 90 L HN 0.229 nan 8.230 nan 0.000 0.432 91 K N -0.060 120.398 120.400 0.097 0.000 2.147 91 K HA -0.180 4.148 4.320 0.014 0.000 0.205 91 K C 1.953 178.583 176.600 0.050 0.000 1.049 91 K CA 1.180 57.504 56.287 0.062 0.000 0.936 91 K CB -0.063 32.457 32.500 0.032 0.000 0.722 91 K HN 0.345 nan 8.250 nan 0.000 0.446 92 E N -0.285 119.948 120.200 0.055 0.000 2.153 92 E HA -0.143 4.216 4.350 0.014 0.000 0.194 92 E C 0.809 177.289 176.600 -0.200 0.000 0.988 92 E CA 0.933 57.287 56.400 -0.076 0.000 0.811 92 E CB 0.030 29.667 29.700 -0.105 0.000 0.746 92 E HN 0.248 nan 8.360 nan 0.000 0.466 93 F N 0.046 119.992 119.950 -0.007 0.000 2.645 93 F HA 0.173 4.706 4.527 0.010 0.000 0.300 93 F C 0.583 176.380 175.800 -0.004 0.000 1.115 93 F CA -0.075 57.921 58.000 -0.006 0.000 1.355 93 F CB 0.460 39.456 39.000 -0.006 0.000 1.026 93 F HN -0.277 nan 8.300 nan 0.000 0.536 94 S N 0.883 116.646 115.700 0.105 0.000 3.698 94 S HA -0.207 4.272 4.470 0.014 0.000 0.338 94 S C 0.018 174.661 174.600 0.071 0.000 1.089 94 S CA 0.244 58.482 58.200 0.064 0.000 0.991 94 S CB -2.053 61.171 63.200 0.040 0.000 0.909 94 S HN 0.329 nan 8.310 nan 0.000 0.485 95 I N 1.230 121.852 120.570 0.087 0.000 2.404 95 I HA 0.257 4.436 4.170 0.014 0.000 0.293 95 I C 0.236 176.377 176.117 0.039 0.000 0.992 95 I CA -0.619 60.716 61.300 0.060 0.000 1.149 95 I CB 1.387 39.423 38.000 0.061 0.000 1.315 95 I HN -0.047 nan 8.210 nan 0.000 0.446 96 D N 6.141 126.553 120.400 0.021 0.000 2.600 96 D HA 0.139 4.787 4.640 0.014 0.000 0.226 96 D C 0.365 176.661 176.300 -0.008 0.000 1.119 96 D CA 0.064 54.066 54.000 0.005 0.000 1.051 96 D CB 0.224 41.021 40.800 -0.004 0.000 1.106 96 D HN 0.655 nan 8.370 nan 0.000 0.491 97 G N 2.382 111.184 108.800 0.003 0.000 2.390 97 G HA2 0.439 4.407 3.960 0.014 0.000 0.270 97 G HA3 0.439 4.407 3.960 0.014 0.000 0.270 97 G C -0.098 174.793 174.900 -0.016 0.000 1.211 97 G CA -0.612 44.486 45.100 -0.003 0.000 0.842 97 G HN 0.356 nan 8.290 nan 0.000 0.519 98 R N 1.410 121.889 120.500 -0.035 0.000 2.686 98 R HA 0.378 4.726 4.340 0.014 0.000 0.283 98 R C -0.642 175.656 176.300 -0.004 0.000 0.978 98 R CA -0.902 55.173 56.100 -0.042 0.000 0.897 98 R CB 2.495 32.725 30.300 -0.116 0.000 1.192 98 R HN 0.419 nan 8.270 nan 0.000 0.457 99 I N 2.300 122.892 120.570 0.036 0.000 2.371 99 I HA 0.149 4.327 4.170 0.014 0.000 0.290 99 I C 0.326 176.546 176.117 0.172 0.000 1.028 99 I CA -0.144 61.212 61.300 0.094 0.000 1.345 99 I CB 0.865 38.924 38.000 0.098 0.000 1.407 99 I HN 0.331 nan 8.210 nan 0.000 0.501 100 K N 7.489 128.020 120.400 0.218 0.000 2.281 100 K HA 0.123 4.452 4.320 0.014 0.000 0.272 100 K C -0.677 176.107 176.600 0.306 0.000 1.048 100 K CA -0.642 55.853 56.287 0.347 0.000 0.898 100 K CB 0.675 33.407 32.500 0.386 0.000 1.128 100 K HN 0.539 nan 8.250 nan 0.000 0.460 101 W N 8.042 129.439 121.300 0.162 0.000 2.391 101 W HA -0.030 4.638 4.660 0.012 0.000 0.339 101 W C -1.767 174.839 176.519 0.146 0.000 1.252 101 W CA -0.885 56.565 57.345 0.176 0.000 1.304 101 W CB 0.897 30.448 29.460 0.151 0.000 1.179 101 W HN 0.555 nan 8.180 nan 0.000 0.567 102 P HA 0.004 nan 4.420 nan 0.000 0.277 102 P C 0.119 177.280 177.300 -0.232 0.000 1.260 102 P CA 0.795 63.431 63.100 -0.774 0.000 0.878 102 P CB 0.594 31.428 31.700 -1.444 0.000 1.319 103 N N -0.901 117.724 118.700 -0.127 0.000 2.160 103 N HA 0.076 4.824 4.740 0.014 0.000 0.226 103 N C -0.598 174.906 175.510 -0.010 0.000 1.256 103 N CA -0.092 52.911 53.050 -0.077 0.000 0.890 103 N CB 0.151 38.580 38.487 -0.097 0.000 1.116 103 N HN -0.108 nan 8.380 nan 0.000 0.517 104 D N 0.744 121.174 120.400 0.050 0.000 2.228 104 D HA 0.398 5.046 4.640 0.014 0.000 0.247 104 D C -0.463 175.899 176.300 0.102 0.000 0.995 104 D CA -0.417 53.637 54.000 0.090 0.000 0.903 104 D CB 3.128 44.010 40.800 0.136 0.000 1.205 104 D HN -0.205 nan 8.370 nan 0.000 0.459 105 V N 2.240 122.214 119.914 0.100 0.000 2.487 105 V HA 0.434 4.562 4.120 0.014 0.000 0.298 105 V C 0.022 176.164 176.094 0.079 0.000 1.028 105 V CA -0.679 61.668 62.300 0.078 0.000 0.860 105 V CB 1.503 33.362 31.823 0.060 0.000 0.991 105 V HN 0.303 nan 8.190 nan 0.000 0.427 106 L N 4.632 125.877 121.223 0.037 0.000 2.319 106 L HA 0.809 5.157 4.340 0.014 0.000 0.267 106 L C -0.959 175.889 176.870 -0.036 0.000 1.011 106 L CA -1.094 53.752 54.840 0.009 0.000 0.818 106 L CB 2.358 44.393 42.059 -0.040 0.000 1.316 106 L HN 0.305 nan 8.230 nan 0.000 0.432 107 V N 1.336 121.238 119.914 -0.021 0.000 2.447 107 V HA 0.306 4.434 4.120 0.014 0.000 0.292 107 V C -0.391 175.696 176.094 -0.012 0.000 1.021 107 V CA -0.695 61.591 62.300 -0.024 0.000 0.850 107 V CB 1.316 33.143 31.823 0.006 0.000 1.005 107 V HN 0.872 nan 8.190 nan 0.000 0.426 108 N N 4.238 122.916 118.700 -0.037 0.000 2.740 108 N HA -0.254 4.494 4.740 0.014 0.000 0.248 108 N C 0.127 175.725 175.510 0.147 0.000 1.062 108 N CA 1.168 54.245 53.050 0.044 0.000 0.704 108 N CB -1.279 37.243 38.487 0.059 0.000 0.968 108 N HN 0.962 nan 8.380 nan 0.000 0.547 109 Y N -3.235 117.043 120.300 -0.038 0.000 4.753 109 Y HA -0.342 4.212 4.550 0.008 0.000 0.232 109 Y C 0.548 176.468 175.900 0.033 0.000 1.029 109 Y CA 1.468 59.547 58.100 -0.034 0.000 1.996 109 Y CB -1.421 36.991 38.460 -0.080 0.000 1.602 109 Y HN 0.261 nan 8.280 nan 0.000 0.621 110 K N 0.922 121.397 120.400 0.125 0.000 2.182 110 K HA 0.360 4.688 4.320 0.014 0.000 0.262 110 K C 0.049 176.708 176.600 0.098 0.000 0.957 110 K CA -1.077 55.276 56.287 0.109 0.000 0.842 110 K CB 1.558 34.105 32.500 0.079 0.000 1.099 110 K HN -0.001 nan 8.250 nan 0.000 0.438 111 K N 3.706 124.176 120.400 0.117 0.000 2.378 111 K HA 0.065 4.393 4.320 0.014 0.000 0.288 111 K C 0.381 177.060 176.600 0.132 0.000 1.057 111 K CA 0.111 56.481 56.287 0.139 0.000 0.971 111 K CB 0.307 32.910 32.500 0.173 0.000 0.975 111 K HN 0.633 nan 8.250 nan 0.000 0.475 112 I N 2.815 123.464 120.570 0.133 0.000 3.708 112 I HA 0.186 4.365 4.170 0.014 0.000 0.302 112 I C -0.230 176.007 176.117 0.199 0.000 1.255 112 I CA 0.130 61.505 61.300 0.126 0.000 1.362 112 I CB 0.547 38.589 38.000 0.071 0.000 1.100 112 I HN 0.684 nan 8.210 nan 0.000 0.434 113 A N -0.501 122.459 122.820 0.234 0.000 2.604 113 A HA 0.732 5.061 4.320 0.014 0.000 0.295 113 A C -0.746 176.965 177.584 0.211 0.000 1.067 113 A CA -0.126 52.071 52.037 0.266 0.000 0.683 113 A CB 0.998 20.076 19.000 0.129 0.000 1.281 113 A HN 0.165 nan 8.150 nan 0.000 0.407 114 G N -0.480 108.346 108.800 0.043 0.000 2.620 114 G HA2 0.634 4.603 3.960 0.014 0.000 0.301 114 G HA3 0.634 4.603 3.960 0.014 0.000 0.301 114 G C -1.543 173.184 174.900 -0.288 0.000 1.347 114 G CA -0.526 44.469 45.100 -0.175 0.000 0.971 114 G HN 1.155 nan 8.290 nan 0.000 0.488 115 V N 1.527 121.313 119.914 -0.212 0.000 2.604 115 V HA 0.657 4.786 4.120 0.014 0.000 0.305 115 V C -0.832 175.135 176.094 -0.212 0.000 1.043 115 V CA -0.807 61.368 62.300 -0.207 0.000 0.888 115 V CB 1.654 33.385 31.823 -0.153 0.000 0.995 115 V HN 0.685 nan 8.190 nan 0.000 0.429 116 L N 6.035 127.125 121.223 -0.221 0.000 2.406 116 L HA 0.684 5.032 4.340 0.014 0.000 0.270 116 L C -0.825 175.959 176.870 -0.144 0.000 0.982 116 L CA -0.042 54.695 54.840 -0.172 0.000 0.843 116 L CB 1.800 43.730 42.059 -0.215 0.000 1.225 116 L HN 0.436 nan 8.230 nan 0.000 0.412 117 V N 4.653 124.498 119.914 -0.116 0.000 2.427 117 V HA 0.557 4.685 4.120 0.014 0.000 0.286 117 V C -0.236 175.827 176.094 -0.052 0.000 1.034 117 V CA -0.520 61.709 62.300 -0.117 0.000 0.893 117 V CB 1.617 33.325 31.823 -0.191 0.000 0.982 117 V HN 0.748 nan 8.190 nan 0.000 0.452 118 E N 2.606 122.777 120.200 -0.047 0.000 2.248 118 E HA 0.703 5.062 4.350 0.014 0.000 0.267 118 E C -0.248 176.339 176.600 -0.022 0.000 0.877 118 E CA -0.591 55.799 56.400 -0.016 0.000 0.759 118 E CB 2.582 32.281 29.700 -0.003 0.000 1.182 118 E HN 0.832 nan 8.360 nan 0.000 0.418 119 G N 1.495 110.290 108.800 -0.009 0.000 2.620 119 G HA2 0.519 4.487 3.960 0.014 0.000 0.301 119 G HA3 0.519 4.487 3.960 0.014 0.000 0.301 119 G C -1.205 173.694 174.900 -0.002 0.000 1.347 119 G CA -0.580 44.515 45.100 -0.007 0.000 0.971 119 G HN 0.224 nan 8.290 nan 0.000 0.488 120 K N 1.109 121.508 120.400 -0.002 0.000 2.756 120 K HA 0.587 4.915 4.320 0.014 0.000 0.218 120 K C 0.689 177.293 176.600 0.007 0.000 1.057 120 K CA 0.572 56.858 56.287 -0.001 0.000 1.056 120 K CB 0.498 32.990 32.500 -0.013 0.000 1.235 120 K HN 1.719 nan 8.250 nan 0.000 0.547 121 G N 2.967 111.776 108.800 0.015 0.000 2.833 121 G HA2 -0.306 3.662 3.960 0.014 0.000 0.260 121 G HA3 -0.306 3.662 3.960 0.014 0.000 0.260 121 G C 0.169 175.086 174.900 0.029 0.000 1.412 121 G CA 0.319 45.432 45.100 0.022 0.000 0.986 121 G HN 0.601 nan 8.290 nan 0.000 0.556 122 D N 0.947 121.366 120.400 0.032 0.000 2.407 122 D HA 0.136 4.784 4.640 0.014 0.000 0.208 122 D C 0.874 177.199 176.300 0.041 0.000 1.083 122 D CA 0.468 54.493 54.000 0.042 0.000 0.844 122 D CB 0.467 41.294 40.800 0.045 0.000 0.967 122 D HN 0.571 nan 8.370 nan 0.000 0.506 123 K N 1.047 121.464 120.400 0.028 0.000 2.262 123 K HA 0.375 4.703 4.320 0.014 0.000 0.282 123 K C -1.158 175.443 176.600 0.002 0.000 1.066 123 K CA -0.541 55.757 56.287 0.018 0.000 0.901 123 K CB 0.646 33.153 32.500 0.011 0.000 1.089 123 K HN -0.151 nan 8.250 nan 0.000 0.476 124 I N 4.406 124.972 120.570 -0.006 0.000 2.433 124 I HA 0.213 4.391 4.170 0.014 0.000 0.292 124 I C -0.737 175.348 176.117 -0.054 0.000 1.001 124 I CA -0.740 60.542 61.300 -0.029 0.000 1.119 124 I CB 2.032 40.014 38.000 -0.030 0.000 1.289 124 I HN 0.246 nan 8.210 nan 0.000 0.438 125 V N 6.616 126.495 119.914 -0.059 0.000 2.384 125 V HA 0.388 4.516 4.120 0.014 0.000 0.287 125 V C -0.514 175.522 176.094 -0.096 0.000 1.020 125 V CA -0.723 61.536 62.300 -0.067 0.000 0.850 125 V CB 1.571 33.366 31.823 -0.047 0.000 0.987 125 V HN 0.467 nan 8.190 nan 0.000 0.436 126 L N 5.841 126.994 121.223 -0.117 0.000 2.264 126 L HA 0.816 5.165 4.340 0.014 0.000 0.287 126 L C 0.488 177.284 176.870 -0.124 0.000 1.039 126 L CA 0.266 55.021 54.840 -0.141 0.000 0.829 126 L CB 0.709 42.665 42.059 -0.173 0.000 1.211 126 L HN 0.643 nan 8.230 nan 0.000 0.427 127 G N 5.976 114.692 108.800 -0.140 0.000 2.371 127 G HA2 0.665 4.633 3.960 0.014 0.000 0.326 127 G HA3 0.665 4.633 3.960 0.014 0.000 0.326 127 G C -0.944 173.854 174.900 -0.171 0.000 1.127 127 G CA -0.462 44.549 45.100 -0.149 0.000 0.885 127 G HN 0.600 nan 8.290 nan 0.000 0.477 128 I N 1.152 121.644 120.570 -0.129 0.000 2.534 128 I HA 0.473 4.651 4.170 0.014 0.000 0.288 128 I C 0.208 176.303 176.117 -0.036 0.000 1.077 128 I CA -0.818 60.413 61.300 -0.115 0.000 1.051 128 I CB 2.690 40.649 38.000 -0.068 0.000 1.234 128 I HN 0.605 nan 8.210 nan 0.000 0.425 129 G N 7.181 115.941 108.800 -0.066 0.000 2.487 129 G HA2 0.617 4.586 3.960 0.014 0.000 0.314 129 G HA3 0.617 4.586 3.960 0.014 0.000 0.314 129 G C -1.403 173.747 174.900 0.417 0.000 1.267 129 G CA -0.322 44.980 45.100 0.337 0.000 0.937 129 G HN 0.380 nan 8.290 nan 0.000 0.481 130 L N 2.889 124.271 121.223 0.265 0.000 2.376 130 L HA 0.495 4.844 4.340 0.014 0.000 0.275 130 L C -1.143 175.707 176.870 -0.034 0.000 0.987 130 L CA -0.902 54.008 54.840 0.116 0.000 0.828 130 L CB 1.787 43.832 42.059 -0.024 0.000 1.249 130 L HN 0.340 nan 8.230 nan 0.000 0.409 131 N N 4.251 123.015 118.700 0.106 0.000 2.420 131 N HA 0.211 4.960 4.740 0.014 0.000 0.262 131 N C 0.629 176.096 175.510 -0.072 0.000 1.144 131 N CA -0.047 53.027 53.050 0.040 0.000 0.952 131 N CB 2.187 40.742 38.487 0.114 0.000 1.081 131 N HN 0.504 nan 8.380 nan 0.000 0.480 132 V N 2.471 122.296 119.914 -0.149 0.000 2.988 132 V HA 0.091 4.219 4.120 0.014 0.000 0.223 132 V C 1.232 177.267 176.094 -0.098 0.000 1.144 132 V CA 0.512 62.719 62.300 -0.155 0.000 1.242 132 V CB 0.001 31.694 31.823 -0.216 0.000 1.073 132 V HN 0.582 nan 8.190 nan 0.000 0.508 133 N N 0.991 119.641 118.700 -0.084 0.000 2.184 133 N HA 0.098 4.846 4.740 0.014 0.000 0.206 133 N C 0.123 175.629 175.510 -0.007 0.000 1.151 133 N CA -0.083 52.942 53.050 -0.041 0.000 0.878 133 N CB 0.102 38.565 38.487 -0.041 0.000 1.014 133 N HN 0.649 nan 8.380 nan 0.000 0.512 134 N N 1.760 120.468 118.700 0.013 0.000 2.424 134 N HA 0.003 4.751 4.740 0.014 0.000 0.257 134 N C 0.203 175.744 175.510 0.050 0.000 1.250 134 N CA -0.178 52.912 53.050 0.066 0.000 0.946 134 N CB 1.248 39.840 38.487 0.176 0.000 1.175 134 N HN 0.047 nan 8.380 nan 0.000 0.477 135 K N -0.643 119.783 120.400 0.043 0.000 2.295 135 K HA 0.284 4.612 4.320 0.014 0.000 0.270 135 K C 0.035 176.639 176.600 0.006 0.000 1.011 135 K CA -0.660 55.636 56.287 0.016 0.000 0.953 135 K CB 0.611 33.114 32.500 0.005 0.000 0.956 135 K HN 0.510 nan 8.250 nan 0.000 0.477 136 V N -1.760 118.145 119.914 -0.015 0.000 3.001 136 V HA 0.593 4.722 4.120 0.014 0.000 0.314 136 V C -2.519 173.536 176.094 -0.065 0.000 1.099 136 V CA -2.095 60.177 62.300 -0.047 0.000 0.989 136 V CB 1.243 33.049 31.823 -0.027 0.000 1.040 136 V HN 0.930 nan 8.190 nan 0.000 0.434 137 P HA 0.318 nan 4.420 nan 0.000 0.276 137 P C -0.748 176.521 177.300 -0.052 0.000 1.261 137 P CA -0.542 62.505 63.100 -0.087 0.000 0.800 137 P CB 0.466 32.089 31.700 -0.130 0.000 1.066 138 N N -0.168 118.511 118.700 -0.034 0.000 2.454 138 N HA 0.214 4.962 4.740 0.014 0.000 0.260 138 N C 1.417 176.926 175.510 -0.002 0.000 1.218 138 N CA 1.279 54.321 53.050 -0.013 0.000 0.904 138 N CB 0.084 38.566 38.487 -0.008 0.000 1.065 138 N HN 0.843 nan 8.380 nan 0.000 0.462 139 G N -0.579 108.231 108.800 0.017 0.000 2.195 139 G HA2 -0.147 3.821 3.960 0.014 0.000 0.224 139 G HA3 -0.147 3.821 3.960 0.014 0.000 0.224 139 G C 0.047 174.976 174.900 0.048 0.000 0.990 139 G CA 0.177 45.301 45.100 0.041 0.000 0.639 139 G HN 0.919 nan 8.290 nan 0.000 0.514 140 A N -1.167 121.666 122.820 0.022 0.000 2.344 140 A HA 0.999 5.327 4.320 0.014 0.000 0.307 140 A C 0.072 177.672 177.584 0.027 0.000 1.151 140 A CA 0.595 52.646 52.037 0.024 0.000 0.842 140 A CB 1.933 20.919 19.000 -0.024 0.000 1.350 140 A HN 1.312 nan 8.150 nan 0.000 0.459 141 T N -1.228 113.348 114.554 0.036 0.000 2.754 141 T HA 0.724 5.083 4.350 0.014 0.000 0.296 141 T C -0.749 173.971 174.700 0.032 0.000 1.205 141 T CA 0.293 62.412 62.100 0.031 0.000 1.009 141 T CB 1.285 70.173 68.868 0.034 0.000 1.368 141 T HN 1.956 nan 8.240 nan 0.000 0.509 142 S N 0.293 116.005 115.700 0.019 0.000 2.651 142 S HA 0.479 4.957 4.470 0.014 0.000 0.279 142 S C 1.165 175.758 174.600 -0.012 0.000 1.148 142 S CA -0.869 57.335 58.200 0.007 0.000 0.837 142 S CB 1.193 64.394 63.200 0.001 0.000 1.138 142 S HN 0.731 nan 8.310 nan 0.000 0.478 143 M N 1.157 120.730 119.600 -0.044 0.000 2.117 143 M HA -0.067 4.421 4.480 0.014 0.000 0.262 143 M C 2.293 178.569 176.300 -0.040 0.000 1.065 143 M CA 1.803 57.065 55.300 -0.063 0.000 1.114 143 M CB -0.544 31.966 32.600 -0.149 0.000 1.361 143 M HN 0.879 nan 8.290 nan 0.000 0.408 144 K N 1.087 121.463 120.400 -0.041 0.000 2.057 144 K HA -0.140 4.188 4.320 0.014 0.000 0.207 144 K C 1.775 178.372 176.600 -0.005 0.000 1.049 144 K CA 1.247 57.521 56.287 -0.022 0.000 0.931 144 K CB -0.106 32.381 32.500 -0.022 0.000 0.714 144 K HN 0.292 nan 8.250 nan 0.000 0.440 145 L N 0.867 122.088 121.223 -0.003 0.000 2.093 145 L HA -0.153 4.195 4.340 0.014 0.000 0.208 145 L C 2.448 179.324 176.870 0.009 0.000 1.085 145 L CA 0.991 55.834 54.840 0.005 0.000 0.755 145 L CB -0.285 41.779 42.059 0.008 0.000 0.904 145 L HN 0.217 nan 8.230 nan 0.000 0.435 146 E N 0.047 120.253 120.200 0.009 0.000 2.107 146 E HA -0.105 4.253 4.350 0.014 0.000 0.191 146 E C 2.283 178.894 176.600 0.019 0.000 0.982 146 E CA 1.054 57.462 56.400 0.015 0.000 0.809 146 E CB -0.055 29.655 29.700 0.016 0.000 0.756 146 E HN 0.487 nan 8.360 nan 0.000 0.459 147 L N -0.767 120.467 121.223 0.019 0.000 2.375 147 L HA 0.124 4.472 4.340 0.014 0.000 0.215 147 L C 1.485 178.369 176.870 0.023 0.000 1.108 147 L CA 0.614 55.471 54.840 0.028 0.000 0.830 147 L CB -0.055 42.029 42.059 0.041 0.000 0.959 147 L HN 0.265 nan 8.230 nan 0.000 0.457 148 G N 0.438 109.247 108.800 0.016 0.000 2.157 148 G HA2 -0.262 3.706 3.960 0.014 0.000 0.248 148 G HA3 -0.262 3.706 3.960 0.014 0.000 0.248 148 G C 0.200 175.108 174.900 0.013 0.000 0.979 148 G CA 0.269 45.377 45.100 0.013 0.000 0.650 148 G HN 0.508 nan 8.290 nan 0.000 0.529 149 S N -1.317 114.391 115.700 0.013 0.000 2.565 149 S HA 0.643 5.121 4.470 0.014 0.000 0.269 149 S C -0.677 173.928 174.600 0.007 0.000 1.153 149 S CA -0.864 57.344 58.200 0.013 0.000 0.835 149 S CB 1.991 65.203 63.200 0.020 0.000 1.122 149 S HN 0.295 nan 8.310 nan 0.000 0.462 150 E N 0.524 120.726 120.200 0.004 0.000 2.415 150 E HA 0.325 4.683 4.350 0.014 0.000 0.262 150 E C -0.655 175.944 176.600 -0.002 0.000 1.038 150 E CA 0.027 56.424 56.400 -0.006 0.000 0.921 150 E CB 0.933 30.631 29.700 -0.004 0.000 0.950 150 E HN 0.486 nan 8.360 nan 0.000 0.438 151 V N 3.950 123.846 119.914 -0.030 0.000 2.588 151 V HA 0.212 4.340 4.120 0.014 0.000 0.304 151 V C -2.320 173.749 176.094 -0.041 0.000 1.042 151 V CA -2.093 60.188 62.300 -0.032 0.000 0.877 151 V CB 1.773 33.505 31.823 -0.151 0.000 0.996 151 V HN 0.527 nan 8.190 nan 0.000 0.425 152 P HA 0.046 nan 4.420 nan 0.000 0.261 152 P C 0.664 177.953 177.300 -0.018 0.000 1.203 152 P CA -0.031 63.076 63.100 0.012 0.000 0.767 152 P CB 0.582 32.317 31.700 0.058 0.000 0.785 153 L N 5.375 126.570 121.223 -0.047 0.000 2.042 153 L HA -0.178 4.171 4.340 0.014 0.000 0.210 153 L C 1.795 178.663 176.870 -0.004 0.000 1.076 153 L CA 1.843 56.644 54.840 -0.066 0.000 0.749 153 L CB -1.219 40.790 42.059 -0.084 0.000 0.893 153 L HN 0.302 nan 8.230 nan 0.000 0.432 154 L N -1.398 119.828 121.223 0.006 0.000 2.131 154 L HA -0.146 4.203 4.340 0.014 0.000 0.210 154 L C 2.423 179.380 176.870 0.146 0.000 1.092 154 L CA 1.859 56.731 54.840 0.054 0.000 0.759 154 L CB -0.731 41.325 42.059 -0.005 0.000 0.903 154 L HN 0.254 nan 8.230 nan 0.000 0.435 155 S N -1.157 114.619 115.700 0.127 0.000 2.383 155 S HA -0.134 4.345 4.470 0.014 0.000 0.227 155 S C 1.931 176.687 174.600 0.260 0.000 1.026 155 S CA 1.366 59.691 58.200 0.207 0.000 0.981 155 S CB -0.369 62.995 63.200 0.272 0.000 0.818 155 S HN 0.363 nan 8.310 nan 0.000 0.472 156 V N 1.264 121.246 119.914 0.112 0.000 2.358 156 V HA -0.140 3.988 4.120 0.014 0.000 0.246 156 V C 1.851 177.986 176.094 0.068 0.000 1.047 156 V CA 1.709 63.998 62.300 -0.017 0.000 1.035 156 V CB -0.770 30.909 31.823 -0.240 0.000 0.658 156 V HN 0.501 nan 8.190 nan 0.000 0.452 157 F N 1.431 121.360 119.950 -0.033 0.000 2.102 157 F HA -0.191 4.343 4.527 0.012 0.000 0.298 157 F C 2.625 178.432 175.800 0.011 0.000 1.105 157 F CA 1.839 59.826 58.000 -0.022 0.000 1.239 157 F CB -0.268 38.715 39.000 -0.029 0.000 0.991 157 F HN -0.058 nan 8.300 nan 0.000 0.474 158 R N -0.328 120.258 120.500 0.143 0.000 2.083 158 R HA -0.182 4.166 4.340 0.014 0.000 0.237 158 R C 2.630 178.904 176.300 -0.043 0.000 1.137 158 R CA 1.562 57.684 56.100 0.037 0.000 0.951 158 R CB -0.965 29.411 30.300 0.127 0.000 0.851 158 R HN 0.371 nan 8.270 nan 0.000 0.434 159 S N 0.939 116.662 115.700 0.039 0.000 2.356 159 S HA -0.145 4.334 4.470 0.014 0.000 0.223 159 S C 1.931 176.520 174.600 -0.019 0.000 1.032 159 S CA 1.184 59.415 58.200 0.053 0.000 1.005 159 S CB -0.195 63.133 63.200 0.213 0.000 0.867 159 S HN 0.238 nan 8.310 nan 0.000 0.449 160 L N 1.608 122.791 121.223 -0.067 0.000 2.046 160 L HA 0.032 4.380 4.340 0.014 0.000 0.208 160 L C 2.108 178.870 176.870 -0.180 0.000 1.077 160 L CA 1.633 56.406 54.840 -0.112 0.000 0.747 160 L CB -0.693 41.287 42.059 -0.132 0.000 0.896 160 L HN 0.332 nan 8.230 nan 0.000 0.432 161 I N -0.648 119.726 120.570 -0.326 0.000 2.226 161 I HA -0.256 3.922 4.170 0.014 0.000 0.245 161 I C 2.363 178.387 176.117 -0.156 0.000 1.100 161 I CA 1.570 62.677 61.300 -0.321 0.000 1.374 161 I CB -1.815 35.860 38.000 -0.542 0.000 1.057 161 I HN 0.289 nan 8.210 nan 0.000 0.413 162 T N 1.481 115.966 114.554 -0.115 0.000 2.708 162 T HA -0.135 4.224 4.350 0.014 0.000 0.266 162 T C 1.754 176.437 174.700 -0.030 0.000 1.037 162 T CA 1.385 63.454 62.100 -0.051 0.000 1.146 162 T CB -0.193 68.656 68.868 -0.031 0.000 0.865 162 T HN 0.284 nan 8.240 nan 0.000 0.435 163 N N 1.229 119.909 118.700 -0.032 0.000 2.120 163 N HA 0.034 4.782 4.740 0.014 0.000 0.188 163 N C 1.923 177.431 175.510 -0.004 0.000 1.024 163 N CA 0.861 53.905 53.050 -0.011 0.000 0.852 163 N CB -0.512 37.970 38.487 -0.007 0.000 1.003 163 N HN 0.344 nan 8.380 nan 0.000 0.424 164 L N 0.605 121.811 121.223 -0.029 0.000 2.083 164 L HA -0.169 4.179 4.340 0.014 0.000 0.209 164 L C 2.057 178.949 176.870 0.036 0.000 1.083 164 L CA 1.172 56.002 54.840 -0.017 0.000 0.752 164 L CB -0.433 41.583 42.059 -0.072 0.000 0.899 164 L HN 0.088 nan 8.230 nan 0.000 0.433 165 D N 0.056 120.471 120.400 0.024 0.000 2.117 165 D HA -0.230 4.418 4.640 0.014 0.000 0.197 165 D C 2.342 178.705 176.300 0.106 0.000 0.987 165 D CA 1.177 55.224 54.000 0.078 0.000 0.829 165 D CB 0.083 40.907 40.800 0.040 0.000 0.961 165 D HN 0.048 nan 8.370 nan 0.000 0.460 166 R N -0.250 120.288 120.500 0.062 0.000 2.073 166 R HA -0.080 4.269 4.340 0.014 0.000 0.234 166 R C 2.445 178.790 176.300 0.076 0.000 1.134 166 R CA 1.019 57.153 56.100 0.056 0.000 0.952 166 R CB -0.341 29.979 30.300 0.032 0.000 0.850 166 R HN 0.256 nan 8.270 nan 0.000 0.433 167 L N -0.346 120.929 121.223 0.086 0.000 2.046 167 L HA -0.220 4.128 4.340 0.014 0.000 0.208 167 L C 2.459 179.435 176.870 0.176 0.000 1.077 167 L CA 1.384 56.288 54.840 0.107 0.000 0.747 167 L CB -0.620 41.488 42.059 0.081 0.000 0.896 167 L HN 0.271 nan 8.230 nan 0.000 0.432 168 Y N 0.168 120.498 120.300 0.050 0.000 2.200 168 Y HA -0.226 4.333 4.550 0.014 0.000 0.290 168 Y C 2.252 178.237 175.900 0.142 0.000 1.137 168 Y CA 1.244 59.396 58.100 0.087 0.000 1.163 168 Y CB -0.091 38.386 38.460 0.028 0.000 0.988 168 Y HN -0.037 nan 8.280 nan 0.000 0.518 169 L N 0.514 121.757 121.223 0.034 0.000 2.046 169 L HA -0.221 4.127 4.340 0.014 0.000 0.208 169 L C 2.187 179.021 176.870 -0.059 0.000 1.077 169 L CA 2.044 56.849 54.840 -0.058 0.000 0.747 169 L CB -1.568 40.499 42.059 0.014 0.000 0.896 169 L HN 0.301 nan 8.230 nan 0.000 0.432 170 N N -0.895 117.810 118.700 0.008 0.000 2.331 170 N HA -0.223 4.526 4.740 0.014 0.000 0.180 170 N C 1.830 177.342 175.510 0.004 0.000 1.019 170 N CA 0.697 53.749 53.050 0.004 0.000 0.881 170 N CB -0.206 38.300 38.487 0.031 0.000 0.972 170 N HN 0.287 nan 8.380 nan 0.000 0.435 171 F N 0.730 120.621 119.950 -0.098 0.000 2.171 171 F HA 0.004 4.540 4.527 0.015 0.000 0.300 171 F C 1.658 177.370 175.800 -0.147 0.000 1.090 171 F CA 1.025 58.970 58.000 -0.092 0.000 1.293 171 F CB -0.064 38.906 39.000 -0.049 0.000 1.013 171 F HN 0.030 nan 8.300 nan 0.000 0.486 172 L N 0.051 121.127 121.223 -0.246 0.000 2.131 172 L HA -0.188 4.161 4.340 0.014 0.000 0.210 172 L C 2.474 179.185 176.870 -0.266 0.000 1.092 172 L CA 1.188 55.840 54.840 -0.312 0.000 0.759 172 L CB -0.634 41.253 42.059 -0.287 0.000 0.903 172 L HN 0.076 nan 8.230 nan 0.000 0.435 173 K N -0.042 120.238 120.400 -0.200 0.000 2.202 173 K HA 0.074 4.402 4.320 0.014 0.000 0.201 173 K C 0.223 176.726 176.600 -0.162 0.000 1.051 173 K CA 0.718 56.915 56.287 -0.151 0.000 0.977 173 K CB 0.421 32.863 32.500 -0.097 0.000 0.792 173 K HN 0.231 nan 8.250 nan 0.000 0.469 174 N N 1.856 120.453 118.700 -0.171 0.000 2.790 174 N HA 0.159 4.907 4.740 0.014 0.000 0.256 174 N C -2.323 173.069 175.510 -0.197 0.000 1.409 174 N CA -1.087 51.874 53.050 -0.149 0.000 0.799 174 N CB 1.675 40.115 38.487 -0.078 0.000 1.170 174 N HN 0.032 nan 8.380 nan 0.000 0.507 175 P HA -0.093 nan 4.420 nan 0.000 0.223 175 P C 1.092 178.326 177.300 -0.110 0.000 1.144 175 P CA 0.897 63.682 63.100 -0.525 0.000 0.783 175 P CB 0.428 31.718 31.700 -0.682 0.000 0.771 176 M N -0.839 118.712 119.600 -0.082 0.000 2.476 176 M HA 0.013 4.501 4.480 0.014 0.000 0.262 176 M C 1.233 177.541 176.300 0.013 0.000 1.111 176 M CA 0.883 56.167 55.300 -0.026 0.000 1.127 176 M CB -1.383 31.179 32.600 -0.062 0.000 1.376 176 M HN -0.133 nan 8.290 nan 0.000 0.465 177 D N 1.118 121.527 120.400 0.014 0.000 2.133 177 D HA -0.167 4.481 4.640 0.014 0.000 0.195 177 D C 1.844 178.178 176.300 0.056 0.000 0.997 177 D CA 0.980 54.996 54.000 0.027 0.000 0.840 177 D CB -0.265 40.550 40.800 0.024 0.000 0.947 177 D HN 0.247 nan 8.370 nan 0.000 0.452 178 I N 0.537 121.180 120.570 0.123 0.000 2.335 178 I HA -0.218 3.960 4.170 0.014 0.000 0.251 178 I C 1.916 178.056 176.117 0.039 0.000 1.129 178 I CA 1.050 62.424 61.300 0.125 0.000 1.402 178 I CB -0.156 37.986 38.000 0.238 0.000 1.069 178 I HN 0.012 nan 8.210 nan 0.000 0.424 179 L N 0.170 121.410 121.223 0.029 0.000 2.083 179 L HA -0.229 4.119 4.340 0.014 0.000 0.209 179 L C 2.298 179.125 176.870 -0.071 0.000 1.083 179 L CA 1.268 56.071 54.840 -0.061 0.000 0.752 179 L CB -1.013 41.037 42.059 -0.015 0.000 0.899 179 L HN 0.330 nan 8.230 nan 0.000 0.433 180 N N 0.313 118.995 118.700 -0.030 0.000 2.120 180 N HA -0.141 4.608 4.740 0.014 0.000 0.188 180 N C 1.970 177.462 175.510 -0.031 0.000 1.024 180 N CA 1.288 54.322 53.050 -0.026 0.000 0.852 180 N CB -0.226 38.254 38.487 -0.012 0.000 1.003 180 N HN 0.341 nan 8.380 nan 0.000 0.424 181 L N 0.618 121.827 121.223 -0.023 0.000 2.093 181 L HA -0.095 4.253 4.340 0.014 0.000 0.208 181 L C 2.349 179.193 176.870 -0.044 0.000 1.085 181 L CA 0.687 55.515 54.840 -0.019 0.000 0.755 181 L CB -0.525 41.535 42.059 0.003 0.000 0.904 181 L HN -0.049 nan 8.230 nan 0.000 0.435 182 V N -0.048 119.807 119.914 -0.098 0.000 2.261 182 V HA -0.270 3.858 4.120 0.014 0.000 0.246 182 V C 2.655 178.688 176.094 -0.103 0.000 1.047 182 V CA 1.714 63.917 62.300 -0.161 0.000 1.015 182 V CB -0.605 30.948 31.823 -0.450 0.000 0.642 182 V HN 0.401 nan 8.190 nan 0.000 0.446 183 R N 0.065 120.508 120.500 -0.095 0.000 2.103 183 R HA -0.215 4.133 4.340 0.014 0.000 0.242 183 R C 1.958 178.245 176.300 -0.022 0.000 1.142 183 R CA 2.053 58.125 56.100 -0.047 0.000 0.960 183 R CB -0.504 29.773 30.300 -0.038 0.000 0.858 183 R HN 0.536 nan 8.270 nan 0.000 0.439 184 D N -0.328 120.059 120.400 -0.022 0.000 2.310 184 D HA -0.063 4.586 4.640 0.014 0.000 0.212 184 D C 0.763 177.058 176.300 -0.007 0.000 0.965 184 D CA 0.899 54.892 54.000 -0.011 0.000 0.879 184 D CB 0.020 40.814 40.800 -0.010 0.000 0.921 184 D HN 0.184 nan 8.370 nan 0.000 0.510 185 N N -0.411 118.283 118.700 -0.009 0.000 2.197 185 N HA 0.111 4.859 4.740 0.014 0.000 0.228 185 N C -0.272 175.243 175.510 0.009 0.000 1.212 185 N CA -0.092 52.957 53.050 -0.002 0.000 0.883 185 N CB 1.063 39.551 38.487 0.000 0.000 1.107 185 N HN 0.233 nan 8.380 nan 0.000 0.519 186 M N 1.061 120.672 119.600 0.019 0.000 2.423 186 M HA 0.424 4.912 4.480 0.014 0.000 0.335 186 M C -0.723 175.614 176.300 0.062 0.000 1.177 186 M CA -0.551 54.784 55.300 0.059 0.000 1.038 186 M CB 1.650 34.299 32.600 0.081 0.000 1.641 186 M HN -0.157 nan 8.290 nan 0.000 0.455 187 I N 5.670 126.298 120.570 0.097 0.000 2.421 187 I HA 0.159 4.338 4.170 0.014 0.000 0.291 187 I C -0.697 175.523 176.117 0.171 0.000 1.089 187 I CA 0.095 61.444 61.300 0.082 0.000 1.354 187 I CB -0.097 37.919 38.000 0.027 0.000 1.413 187 I HN 0.609 nan 8.210 nan 0.000 0.513 188 L N 4.350 125.641 121.223 0.114 0.000 2.322 188 L HA 0.653 5.001 4.340 0.014 0.000 0.252 188 L C 0.976 177.905 176.870 0.098 0.000 1.055 188 L CA -0.809 54.099 54.840 0.114 0.000 0.849 188 L CB 1.763 43.864 42.059 0.069 0.000 1.446 188 L HN 0.712 nan 8.230 nan 0.000 0.416 189 G N 0.401 109.253 108.800 0.086 0.000 2.143 189 G HA2 -0.176 3.793 3.960 0.014 0.000 0.248 189 G HA3 -0.176 3.793 3.960 0.014 0.000 0.248 189 G C -0.431 174.520 174.900 0.086 0.000 0.991 189 G CA 0.240 45.382 45.100 0.071 0.000 0.689 189 G HN 0.305 nan 8.290 nan 0.000 0.522 190 V N -0.343 119.648 119.914 0.129 0.000 3.102 190 V HA 0.604 4.733 4.120 0.014 0.000 0.312 190 V C 0.770 176.961 176.094 0.162 0.000 1.135 190 V CA -1.357 61.031 62.300 0.146 0.000 1.022 190 V CB 1.909 33.846 31.823 0.189 0.000 1.056 190 V HN 0.309 nan 8.190 nan 0.000 0.436 191 R N 1.074 121.655 120.500 0.135 0.000 2.438 191 R HA 0.588 4.937 4.340 0.014 0.000 0.287 191 R C -0.713 175.670 176.300 0.138 0.000 1.077 191 R CA -0.057 56.107 56.100 0.106 0.000 1.034 191 R CB 1.349 31.692 30.300 0.071 0.000 0.993 191 R HN 0.657 nan 8.270 nan 0.000 0.459 192 V N -0.707 119.236 119.914 0.048 0.000 3.078 192 V HA 0.588 4.716 4.120 0.014 0.000 0.311 192 V C -0.959 175.063 176.094 -0.120 0.000 1.138 192 V CA -1.148 61.122 62.300 -0.050 0.000 1.007 192 V CB 2.189 33.926 31.823 -0.144 0.000 1.045 192 V HN 0.681 nan 8.190 nan 0.000 0.432 193 K N 2.227 122.523 120.400 -0.172 0.000 2.323 193 K HA 0.707 5.035 4.320 0.014 0.000 0.259 193 K C -1.312 175.110 176.600 -0.297 0.000 0.947 193 K CA -0.718 55.442 56.287 -0.211 0.000 0.819 193 K CB 1.641 34.067 32.500 -0.123 0.000 1.109 193 K HN 0.819 nan 8.250 nan 0.000 0.429 194 I N 5.968 126.232 120.570 -0.509 0.000 2.304 194 I HA 0.186 4.365 4.170 0.014 0.000 0.291 194 I C -0.591 175.329 176.117 -0.329 0.000 1.018 194 I CA -0.871 60.126 61.300 -0.505 0.000 1.260 194 I CB 0.870 38.312 38.000 -0.930 0.000 1.390 194 I HN 0.352 nan 8.210 nan 0.000 0.475 195 L N 6.459 127.588 121.223 -0.156 0.000 2.272 195 L HA 0.702 5.050 4.340 0.014 0.000 0.289 195 L C 0.613 177.466 176.870 -0.029 0.000 1.032 195 L CA 0.180 54.974 54.840 -0.076 0.000 0.810 195 L CB 0.417 42.445 42.059 -0.052 0.000 1.205 195 L HN 0.837 nan 8.230 nan 0.000 0.422 196 G N 2.672 111.472 108.800 0.000 0.000 2.795 196 G HA2 0.022 3.990 3.960 0.014 0.000 0.127 196 G HA3 0.022 3.990 3.960 0.014 0.000 0.127 196 G C -0.962 173.957 174.900 0.032 0.000 1.203 196 G CA -0.323 44.791 45.100 0.022 0.000 1.145 196 G HN 0.394 nan 8.290 nan 0.000 0.580 197 D N 1.638 122.065 120.400 0.046 0.000 2.489 197 D HA 0.467 5.115 4.640 0.014 0.000 0.237 197 D C 0.985 177.321 176.300 0.060 0.000 1.212 197 D CA 1.736 55.760 54.000 0.041 0.000 1.058 197 D CB -0.531 40.290 40.800 0.036 0.000 1.098 197 D HN 1.238 nan 8.370 nan 0.000 0.509 198 G N 1.723 110.554 108.800 0.052 0.000 2.451 198 G HA2 0.009 3.978 3.960 0.014 0.000 0.208 198 G HA3 0.009 3.978 3.960 0.014 0.000 0.208 198 G C -0.775 174.171 174.900 0.077 0.000 1.248 198 G CA -0.138 45.001 45.100 0.066 0.000 0.989 198 G HN 1.197 nan 8.290 nan 0.000 0.559 199 S N -1.335 114.437 115.700 0.120 0.000 2.586 199 S HA 0.853 5.331 4.470 0.014 0.000 0.277 199 S C -0.918 173.795 174.600 0.190 0.000 1.131 199 S CA 0.146 58.393 58.200 0.079 0.000 0.848 199 S CB 1.544 64.739 63.200 -0.008 0.000 1.091 199 S HN 2.398 nan 8.310 nan 0.000 0.453 200 F N -0.830 119.116 119.950 -0.007 0.000 2.668 200 F HA 0.908 5.444 4.527 0.015 0.000 0.309 200 F C -0.930 174.863 175.800 -0.011 0.000 1.117 200 F CA -0.933 57.062 58.000 -0.009 0.000 0.951 200 F CB 1.097 40.090 39.000 -0.012 0.000 1.323 200 F HN 0.686 nan 8.300 nan 0.000 0.451 201 E N 0.309 120.586 120.200 0.128 0.000 2.299 201 E HA 0.792 5.151 4.350 0.014 0.000 0.265 201 E C -0.487 176.188 176.600 0.125 0.000 0.911 201 E CA -1.286 55.132 56.400 0.030 0.000 0.789 201 E CB 2.481 32.194 29.700 0.021 0.000 1.246 201 E HN 1.114 nan 8.360 nan 0.000 0.427 202 G N 0.785 109.627 108.800 0.069 0.000 2.320 202 G HA2 0.226 4.195 3.960 0.014 0.000 0.296 202 G HA3 0.226 4.195 3.960 0.014 0.000 0.296 202 G C -1.577 173.358 174.900 0.058 0.000 1.306 202 G CA -0.890 44.263 45.100 0.087 0.000 0.836 202 G HN 0.283 nan 8.290 nan 0.000 0.517 203 I N 1.558 122.163 120.570 0.058 0.000 2.371 203 I HA 0.463 4.641 4.170 0.014 0.000 0.290 203 I C 1.128 177.272 176.117 0.044 0.000 1.028 203 I CA -0.532 60.801 61.300 0.055 0.000 1.345 203 I CB 0.914 38.944 38.000 0.049 0.000 1.407 203 I HN 0.705 nan 8.210 nan 0.000 0.501 204 A N 7.045 129.897 122.820 0.052 0.000 2.457 204 A HA 0.196 4.524 4.320 0.014 0.000 0.298 204 A C 1.174 178.776 177.584 0.030 0.000 1.288 204 A CA -0.292 51.760 52.037 0.024 0.000 0.956 204 A CB -0.135 18.901 19.000 0.060 0.000 1.135 204 A HN 0.721 nan 8.150 nan 0.000 0.535 205 E N 1.082 121.287 120.200 0.008 0.000 2.076 205 E HA 0.021 4.380 4.350 0.014 0.000 0.190 205 E C 0.147 176.750 176.600 0.006 0.000 0.979 205 E CA 1.166 57.573 56.400 0.012 0.000 0.807 205 E CB 0.180 29.885 29.700 0.009 0.000 0.761 205 E HN 0.881 nan 8.360 nan 0.000 0.454 206 D N -1.567 118.824 120.400 -0.015 0.000 2.871 206 D HA 0.164 4.812 4.640 0.014 0.000 0.330 206 D C -1.558 174.719 176.300 -0.038 0.000 1.364 206 D CA -0.569 53.424 54.000 -0.013 0.000 0.759 206 D CB 0.391 41.191 40.800 -0.001 0.000 1.325 206 D HN -0.037 nan 8.370 nan 0.000 0.452 207 I N -0.748 119.812 120.570 -0.015 0.000 2.603 207 I HA 0.703 4.881 4.170 0.014 0.000 0.300 207 I C -0.270 175.873 176.117 0.044 0.000 1.017 207 I CA -0.848 60.458 61.300 0.010 0.000 1.098 207 I CB 1.722 39.751 38.000 0.048 0.000 1.279 207 I HN 0.332 nan 8.210 nan 0.000 0.437 208 D N 3.070 123.527 120.400 0.094 0.000 2.507 208 D HA 0.060 4.708 4.640 0.014 0.000 0.280 208 D C 0.637 177.011 176.300 0.123 0.000 1.219 208 D CA -0.280 53.787 54.000 0.111 0.000 1.085 208 D CB 0.202 41.091 40.800 0.149 0.000 1.134 208 D HN 0.718 nan 8.370 nan 0.000 0.583 209 D N -1.272 119.189 120.400 0.101 0.000 2.392 209 D HA -0.132 4.516 4.640 0.014 0.000 0.228 209 D C 0.726 176.924 176.300 -0.169 0.000 1.003 209 D CA 0.422 54.398 54.000 -0.041 0.000 0.917 209 D CB -0.458 40.269 40.800 -0.122 0.000 0.890 209 D HN 0.314 nan 8.370 nan 0.000 0.532 210 F N -0.441 119.591 119.950 0.137 0.000 2.706 210 F HA 0.362 4.897 4.527 0.013 0.000 0.313 210 F C 1.908 177.874 175.800 0.276 0.000 1.096 210 F CA 0.082 58.188 58.000 0.176 0.000 1.219 210 F CB 1.129 40.217 39.000 0.148 0.000 1.051 210 F HN 0.133 nan 8.300 nan 0.000 0.568 211 G N 1.109 110.168 108.800 0.432 0.000 2.157 211 G HA2 -0.287 3.681 3.960 0.014 0.000 0.248 211 G HA3 -0.287 3.681 3.960 0.014 0.000 0.248 211 G C 0.402 175.702 174.900 0.668 0.000 0.979 211 G CA -0.487 44.968 45.100 0.591 0.000 0.650 211 G HN 0.287 nan 8.290 nan 0.000 0.529 212 R N -0.480 120.289 120.500 0.449 0.000 2.491 212 R HA 0.462 4.811 4.340 0.014 0.000 0.283 212 R C 0.260 176.574 176.300 0.024 0.000 1.072 212 R CA -0.655 55.633 56.100 0.314 0.000 1.048 212 R CB 0.865 31.291 30.300 0.210 0.000 0.983 212 R HN 0.207 nan 8.270 nan 0.000 0.450 213 L N 4.509 125.479 121.223 -0.423 0.000 2.319 213 L HA 0.198 4.546 4.340 0.014 0.000 0.280 213 L C -0.553 176.134 176.870 -0.306 0.000 1.099 213 L CA 0.131 54.563 54.840 -0.679 0.000 0.828 213 L CB 0.620 41.786 42.059 -1.487 0.000 1.150 213 L HN 0.429 nan 8.230 nan 0.000 0.442 214 I N 6.826 127.294 120.570 -0.170 0.000 2.312 214 I HA 0.270 4.449 4.170 0.014 0.000 0.291 214 I C -0.075 176.012 176.117 -0.051 0.000 1.031 214 I CA -0.293 60.965 61.300 -0.071 0.000 1.293 214 I CB 0.806 38.789 38.000 -0.029 0.000 1.403 214 I HN 0.395 nan 8.210 nan 0.000 0.484 215 I N 6.528 127.098 120.570 -0.001 0.000 2.433 215 I HA 0.372 4.550 4.170 0.014 0.000 0.292 215 I C 0.353 176.506 176.117 0.060 0.000 1.001 215 I CA -0.708 60.624 61.300 0.054 0.000 1.119 215 I CB 1.816 39.924 38.000 0.181 0.000 1.289 215 I HN 0.521 nan 8.210 nan 0.000 0.438 216 R N 6.876 127.407 120.500 0.051 0.000 2.215 216 R HA 0.558 4.906 4.340 0.014 0.000 0.336 216 R C -0.966 175.368 176.300 0.057 0.000 0.996 216 R CA -0.539 55.585 56.100 0.039 0.000 0.847 216 R CB 0.786 31.102 30.300 0.027 0.000 1.127 216 R HN 0.578 nan 8.270 nan 0.000 0.465 217 L N 3.371 124.624 121.223 0.051 0.000 2.453 217 L HA 0.066 4.414 4.340 0.014 0.000 0.261 217 L C 1.110 178.003 176.870 0.038 0.000 1.179 217 L CA -0.583 54.294 54.840 0.062 0.000 0.813 217 L CB 0.697 42.777 42.059 0.035 0.000 1.110 217 L HN 0.663 nan 8.230 nan 0.000 0.466 218 D N -0.131 120.294 120.400 0.041 0.000 2.190 218 D HA -0.172 4.477 4.640 0.014 0.000 0.200 218 D C 1.941 178.252 176.300 0.017 0.000 0.992 218 D CA 1.498 55.515 54.000 0.028 0.000 0.854 218 D CB 0.107 40.925 40.800 0.029 0.000 0.936 218 D HN 0.544 nan 8.370 nan 0.000 0.462 219 S N -1.337 114.371 115.700 0.012 0.000 2.607 219 S HA 0.155 4.633 4.470 0.014 0.000 0.224 219 S C 1.507 176.107 174.600 -0.000 0.000 0.969 219 S CA 1.133 59.336 58.200 0.004 0.000 0.927 219 S CB -0.086 63.113 63.200 -0.002 0.000 0.772 219 S HN 0.433 nan 8.310 nan 0.000 0.533 220 G N 0.855 109.657 108.800 0.002 0.000 2.213 220 G HA2 -0.242 3.727 3.960 0.014 0.000 0.226 220 G HA3 -0.242 3.727 3.960 0.014 0.000 0.226 220 G C -0.078 174.817 174.900 -0.009 0.000 0.992 220 G CA 0.186 45.286 45.100 -0.000 0.000 0.632 220 G HN 0.659 nan 8.290 nan 0.000 0.511 221 E N 0.727 120.915 120.200 -0.019 0.000 2.414 221 E HA 0.392 4.750 4.350 0.014 0.000 0.263 221 E C -0.107 176.469 176.600 -0.040 0.000 1.000 221 E CA -0.205 56.171 56.400 -0.039 0.000 0.914 221 E CB 0.720 30.381 29.700 -0.065 0.000 0.948 221 E HN 0.168 nan 8.360 nan 0.000 0.444 222 V N 5.435 125.323 119.914 -0.044 0.000 2.398 222 V HA 0.316 4.444 4.120 0.014 0.000 0.286 222 V C -0.072 175.983 176.094 -0.066 0.000 1.026 222 V CA -0.524 61.755 62.300 -0.036 0.000 0.868 222 V CB 1.506 33.318 31.823 -0.019 0.000 0.982 222 V HN 0.653 nan 8.190 nan 0.000 0.443 223 K N 3.807 124.168 120.400 -0.066 0.000 2.259 223 K HA 0.625 4.954 4.320 0.014 0.000 0.249 223 K C -0.966 175.621 176.600 -0.022 0.000 0.942 223 K CA -0.918 55.309 56.287 -0.099 0.000 0.816 223 K CB 2.477 34.809 32.500 -0.280 0.000 1.155 223 K HN 0.528 nan 8.250 nan 0.000 0.428 224 K N 1.965 122.354 120.400 -0.018 0.000 2.339 224 K HA 0.302 4.631 4.320 0.014 0.000 0.264 224 K C -0.806 175.810 176.600 0.027 0.000 0.986 224 K CA -0.720 55.567 56.287 -0.000 0.000 0.866 224 K CB 1.738 34.243 32.500 0.010 0.000 1.103 224 K HN 0.189 nan 8.250 nan 0.000 0.441 225 V N 5.263 125.170 119.914 -0.010 0.000 2.406 225 V HA 0.220 4.348 4.120 0.014 0.000 0.272 225 V C 0.461 176.657 176.094 0.170 0.000 1.043 225 V CA -0.916 61.407 62.300 0.038 0.000 0.915 225 V CB 0.564 32.308 31.823 -0.131 0.000 0.988 225 V HN 0.641 nan 8.190 nan 0.000 0.466 226 I N 2.968 123.699 120.570 0.269 0.000 2.566 226 I HA 0.446 4.624 4.170 0.014 0.000 0.303 226 I C -0.346 176.052 176.117 0.467 0.000 0.983 226 I CA -1.015 60.503 61.300 0.364 0.000 1.235 226 I CB 0.900 39.022 38.000 0.203 0.000 1.386 226 I HN 0.649 nan 8.210 nan 0.000 0.494 227 Y N 4.640 125.133 120.300 0.322 0.000 2.717 227 Y HA 0.456 5.013 4.550 0.013 0.000 0.330 227 Y C 0.627 176.553 175.900 0.044 0.000 1.217 227 Y CA 1.598 59.743 58.100 0.076 0.000 1.506 227 Y CB 0.024 38.431 38.460 -0.089 0.000 1.268 227 Y HN 1.022 nan 8.280 nan 0.000 0.561 228 G N 4.139 112.531 108.800 -0.681 0.000 2.512 228 G HA2 -0.066 3.903 3.960 0.014 0.000 0.181 228 G HA3 -0.066 3.903 3.960 0.014 0.000 0.181 228 G C -1.220 173.448 174.900 -0.387 0.000 1.173 228 G CA -0.333 44.478 45.100 -0.482 0.000 0.988 228 G HN 0.469 nan 8.290 nan 0.000 0.485 229 D N 1.142 121.428 120.400 -0.189 0.000 2.934 229 D HA 0.409 5.057 4.640 0.014 0.000 0.237 229 D C -0.230 176.027 176.300 -0.071 0.000 1.158 229 D CA 0.335 54.259 54.000 -0.126 0.000 0.971 229 D CB -0.095 40.659 40.800 -0.076 0.000 1.123 229 D HN 0.193 nan 8.370 nan 0.000 0.467 230 V N 0.495 120.364 119.914 -0.075 0.000 2.841 230 V HA 0.363 4.491 4.120 0.014 0.000 0.310 230 V C -0.052 176.051 176.094 0.016 0.000 1.090 230 V CA -0.862 61.442 62.300 0.008 0.000 0.930 230 V CB 2.118 34.002 31.823 0.101 0.000 1.014 230 V HN 0.136 nan 8.190 nan 0.000 0.425 231 S N 3.009 118.721 115.700 0.019 0.000 2.600 231 S HA 0.842 5.320 4.470 0.014 0.000 0.300 231 S C -1.210 173.397 174.600 0.013 0.000 1.087 231 S CA -0.557 57.654 58.200 0.019 0.000 0.965 231 S CB 1.616 64.813 63.200 -0.004 0.000 1.089 231 S HN 0.725 nan 8.310 nan 0.000 0.496 232 L N 3.193 124.419 121.223 0.004 0.000 2.346 232 L HA 0.755 5.104 4.340 0.014 0.000 0.276 232 L C -1.058 175.704 176.870 -0.180 0.000 1.006 232 L CA -0.644 54.139 54.840 -0.094 0.000 0.817 232 L CB 1.145 43.174 42.059 -0.051 0.000 1.272 232 L HN 0.593 nan 8.230 nan 0.000 0.421 233 R N 4.244 124.604 120.500 -0.233 0.000 2.513 233 R HA 0.415 4.764 4.340 0.014 0.000 0.301 233 R C -1.382 174.796 176.300 -0.204 0.000 0.968 233 R CA -0.552 55.448 56.100 -0.166 0.000 0.872 233 R CB 1.673 31.933 30.300 -0.068 0.000 1.177 233 R HN 0.429 nan 8.270 nan 0.000 0.444 234 F N 2.566 122.556 119.950 0.066 0.000 2.389 234 F HA 0.276 4.813 4.527 0.017 0.000 0.337 234 F C 1.026 176.819 175.800 -0.012 0.000 1.112 234 F CA -0.280 57.750 58.000 0.049 0.000 1.192 234 F CB 0.599 39.659 39.000 0.099 0.000 1.185 234 F HN 0.054 nan 8.300 nan 0.000 0.552 235 L N 0.000 121.329 121.223 0.177 0.000 2.949 235 L HA 0.000 4.348 4.340 0.014 0.000 0.249 235 L CA 0.000 54.880 54.840 0.067 0.000 0.813 235 L CB 0.000 42.087 42.059 0.047 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502