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 2dz9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGRLN DATA SEQUENCE RKWESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNAVLVNYK 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 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 L N 2.047 123.269 121.223 -0.002 0.000 2.313 2 L HA 0.269 4.618 4.340 0.014 0.000 0.214 2 L C 1.488 178.378 176.870 0.034 0.000 1.119 2 L CA 1.362 56.211 54.840 0.014 0.000 0.809 2 L CB -0.546 41.534 42.059 0.035 0.000 0.933 2 L HN 0.771 nan 8.230 nan 0.000 0.449 3 G N 1.278 110.096 108.800 0.030 0.000 2.273 3 G HA2 -0.282 3.687 3.960 0.014 0.000 0.280 3 G HA3 -0.282 3.687 3.960 0.014 0.000 0.280 3 G C 0.212 175.138 174.900 0.042 0.000 1.047 3 G CA -0.107 45.012 45.100 0.031 0.000 0.869 3 G HN 0.234 nan 8.290 nan 0.000 0.502 4 L N -1.111 120.146 121.223 0.057 0.000 2.456 4 L HA 0.272 4.620 4.340 0.014 0.000 0.272 4 L C 1.387 178.284 176.870 0.043 0.000 1.189 4 L CA 0.390 55.267 54.840 0.062 0.000 0.846 4 L CB 0.696 42.806 42.059 0.085 0.000 1.111 4 L HN 0.186 nan 8.230 nan 0.000 0.475 5 K N 0.624 121.045 120.400 0.035 0.000 2.478 5 K HA 0.135 4.463 4.320 0.014 0.000 0.205 5 K C 0.224 176.841 176.600 0.028 0.000 1.033 5 K CA -0.190 56.114 56.287 0.028 0.000 1.091 5 K CB 0.550 33.064 32.500 0.023 0.000 0.844 5 K HN 0.737 nan 8.250 nan 0.000 0.507 6 T N -1.977 112.595 114.554 0.030 0.000 2.860 6 T HA 0.124 4.483 4.350 0.014 0.000 0.299 6 T C 1.222 175.946 174.700 0.041 0.000 1.045 6 T CA -0.486 61.633 62.100 0.031 0.000 1.071 6 T CB 1.623 70.505 68.868 0.023 0.000 0.985 6 T HN -0.135 nan 8.240 nan 0.000 0.537 7 S N 0.429 116.159 115.700 0.049 0.000 2.404 7 S HA 0.179 4.657 4.470 0.014 0.000 0.223 7 S C 1.584 176.227 174.600 0.071 0.000 1.040 7 S CA 0.255 58.488 58.200 0.055 0.000 0.957 7 S CB -0.297 62.935 63.200 0.055 0.000 0.826 7 S HN 0.699 nan 8.310 nan 0.000 0.491 8 I N 0.051 120.676 120.570 0.093 0.000 3.623 8 I HA 0.264 4.443 4.170 0.014 0.000 0.253 8 I C -0.192 175.968 176.117 0.072 0.000 1.144 8 I CA -0.002 61.364 61.300 0.110 0.000 1.461 8 I CB 0.151 38.274 38.000 0.205 0.000 1.575 8 I HN 0.030 nan 8.210 nan 0.000 0.445 9 I N 2.684 123.286 120.570 0.054 0.000 2.581 9 I HA 0.122 4.301 4.170 0.014 0.000 0.285 9 I C 1.018 177.138 176.117 0.005 0.000 1.129 9 I CA 0.786 62.081 61.300 -0.008 0.000 1.397 9 I CB 0.131 38.097 38.000 -0.057 0.000 1.399 9 I HN 0.608 nan 8.210 nan 0.000 0.537 10 G N 5.172 113.989 108.800 0.029 0.000 2.163 10 G HA2 -0.236 3.733 3.960 0.014 0.000 0.213 10 G HA3 -0.236 3.733 3.960 0.014 0.000 0.213 10 G C 1.074 176.020 174.900 0.077 0.000 0.991 10 G CA -0.204 44.935 45.100 0.065 0.000 0.653 10 G HN 0.638 nan 8.290 nan 0.000 0.518 11 R N -0.329 120.210 120.500 0.065 0.000 2.127 11 R HA 0.046 4.395 4.340 0.014 0.000 0.238 11 R C 1.256 177.598 176.300 0.070 0.000 1.134 11 R CA 1.189 57.327 56.100 0.063 0.000 0.975 11 R CB 0.001 30.337 30.300 0.060 0.000 0.865 11 R HN 0.388 nan 8.270 nan 0.000 0.447 12 R N -0.309 120.240 120.500 0.081 0.000 2.744 12 R HA 0.494 4.843 4.340 0.014 0.000 0.279 12 R C -1.492 174.879 176.300 0.118 0.000 0.977 12 R CA -0.711 55.443 56.100 0.090 0.000 0.906 12 R CB 2.938 33.289 30.300 0.087 0.000 1.197 12 R HN -0.169 nan 8.270 nan 0.000 0.463 13 V N 3.675 123.661 119.914 0.120 0.000 2.733 13 V HA 0.463 4.591 4.120 0.014 0.000 0.306 13 V C -0.605 175.558 176.094 0.116 0.000 1.084 13 V CA -0.664 61.727 62.300 0.151 0.000 0.905 13 V CB 2.239 34.168 31.823 0.176 0.000 1.010 13 V HN 0.607 nan 8.190 nan 0.000 0.424 14 I N 5.092 125.748 120.570 0.143 0.000 2.354 14 I HA 0.400 4.578 4.170 0.014 0.000 0.286 14 I C -1.006 175.173 176.117 0.104 0.000 1.007 14 I CA -0.669 60.676 61.300 0.074 0.000 1.167 14 I CB 1.254 39.328 38.000 0.123 0.000 1.320 14 I HN 0.704 nan 8.210 nan 0.000 0.458 15 Y N 7.691 127.911 120.300 -0.133 0.000 2.342 15 Y HA 0.610 5.168 4.550 0.013 0.000 0.334 15 Y C -1.588 174.187 175.900 -0.208 0.000 1.067 15 Y CA -0.725 57.327 58.100 -0.080 0.000 1.128 15 Y CB 1.022 39.403 38.460 -0.133 0.000 1.200 15 Y HN 0.305 nan 8.280 nan 0.000 0.464 16 F N 4.647 123.995 119.950 -1.004 0.000 2.507 16 F HA 0.348 4.883 4.527 0.014 0.000 0.325 16 F C 1.044 176.242 175.800 -1.004 0.000 1.116 16 F CA -0.617 56.881 58.000 -0.837 0.000 0.930 16 F CB 2.257 40.977 39.000 -0.467 0.000 1.146 16 F HN 0.622 nan 8.300 nan 0.000 0.447 17 Q N 0.991 120.469 119.800 -0.536 0.000 2.084 17 Q HA -0.130 4.219 4.340 0.014 0.000 0.202 17 Q C 0.215 176.177 176.000 -0.064 0.000 0.978 17 Q CA 1.429 57.109 55.803 -0.205 0.000 0.844 17 Q CB 0.340 29.047 28.738 -0.051 0.000 0.898 17 Q HN 0.685 nan 8.270 nan 0.000 0.426 18 E N -0.493 119.688 120.200 -0.031 0.000 2.366 18 E HA 0.590 4.948 4.350 0.014 0.000 0.278 18 E C -1.806 174.775 176.600 -0.033 0.000 0.923 18 E CA -0.400 55.992 56.400 -0.012 0.000 0.761 18 E CB 1.805 31.503 29.700 -0.003 0.000 1.231 18 E HN 0.089 nan 8.360 nan 0.000 0.443 19 I N 1.847 122.346 120.570 -0.119 0.000 3.093 19 I HA 0.255 4.433 4.170 0.014 0.000 0.308 19 I C 1.011 177.030 176.117 -0.164 0.000 1.303 19 I CA -0.333 60.818 61.300 -0.247 0.000 0.975 19 I CB 2.271 39.904 38.000 -0.613 0.000 1.286 19 I HN 0.860 nan 8.210 nan 0.000 0.459 20 T N 0.424 114.894 114.554 -0.140 0.000 2.698 20 T HA 0.051 4.409 4.350 0.014 0.000 0.260 20 T C 0.643 175.290 174.700 -0.088 0.000 1.044 20 T CA 0.830 62.883 62.100 -0.078 0.000 1.149 20 T CB -0.159 68.689 68.868 -0.033 0.000 0.864 20 T HN 0.491 nan 8.240 nan 0.000 0.419 21 S N 0.220 115.858 115.700 -0.103 0.000 2.592 21 S HA 0.421 4.900 4.470 0.014 0.000 0.275 21 S C 0.838 175.366 174.600 -0.121 0.000 1.169 21 S CA 0.002 58.139 58.200 -0.105 0.000 0.958 21 S CB 1.464 64.646 63.200 -0.029 0.000 1.095 21 S HN 0.540 nan 8.310 nan 0.000 0.471 22 T N 2.906 117.373 114.554 -0.144 0.000 2.833 22 T HA -0.085 4.273 4.350 0.014 0.000 0.269 22 T C 1.443 176.126 174.700 -0.028 0.000 1.054 22 T CA 1.610 63.643 62.100 -0.112 0.000 1.135 22 T CB -0.584 68.245 68.868 -0.066 0.000 0.869 22 T HN 0.524 nan 8.240 nan 0.000 0.466 23 N N 1.242 119.894 118.700 -0.080 0.000 2.106 23 N HA -0.049 4.699 4.740 0.014 0.000 0.188 23 N C 2.064 177.573 175.510 -0.001 0.000 1.029 23 N CA 1.184 54.195 53.050 -0.065 0.000 0.848 23 N CB -0.225 38.169 38.487 -0.155 0.000 1.007 23 N HN 0.409 nan 8.380 nan 0.000 0.423 24 E N -0.176 120.042 120.200 0.030 0.000 2.077 24 E HA -0.146 4.212 4.350 0.014 0.000 0.193 24 E C 1.790 178.400 176.600 0.017 0.000 0.989 24 E CA 0.558 56.984 56.400 0.042 0.000 0.800 24 E CB -0.527 29.212 29.700 0.065 0.000 0.746 24 E HN 0.406 nan 8.360 nan 0.000 0.452 25 F N 1.512 121.397 119.950 -0.108 0.000 2.134 25 F HA -0.137 4.399 4.527 0.015 0.000 0.299 25 F C 2.255 178.013 175.800 -0.070 0.000 1.097 25 F CA 1.514 59.448 58.000 -0.111 0.000 1.264 25 F CB -0.179 38.697 39.000 -0.207 0.000 1.001 25 F HN -0.006 nan 8.300 nan 0.000 0.479 26 A N -0.145 122.748 122.820 0.122 0.000 1.930 26 A HA -0.190 4.138 4.320 0.014 0.000 0.217 26 A C 2.282 179.824 177.584 -0.069 0.000 1.175 26 A CA 1.715 53.782 52.037 0.051 0.000 0.627 26 A CB -0.698 18.346 19.000 0.073 0.000 0.815 26 A HN 0.434 nan 8.150 nan 0.000 0.443 27 K N -1.150 119.205 120.400 -0.075 0.000 2.062 27 K HA -0.073 4.255 4.320 0.014 0.000 0.205 27 K C 1.960 178.463 176.600 -0.162 0.000 1.051 27 K CA 1.618 57.851 56.287 -0.091 0.000 0.941 27 K CB -0.119 32.346 32.500 -0.057 0.000 0.719 27 K HN 0.483 nan 8.250 nan 0.000 0.440 28 T N 0.555 114.979 114.554 -0.215 0.000 2.851 28 T HA 0.007 4.366 4.350 0.014 0.000 0.262 28 T C 0.850 175.285 174.700 -0.441 0.000 1.043 28 T CA 0.453 62.379 62.100 -0.291 0.000 1.140 28 T CB 0.094 68.809 68.868 -0.256 0.000 0.872 28 T HN 0.082 nan 8.240 nan 0.000 0.446 29 S N 0.718 116.104 115.700 -0.522 0.000 2.603 29 S HA 0.299 4.778 4.470 0.014 0.000 0.268 29 S C -0.754 173.626 174.600 -0.366 0.000 1.317 29 S CA -0.552 57.326 58.200 -0.536 0.000 1.012 29 S CB 0.144 62.886 63.200 -0.763 0.000 0.926 29 S HN 0.269 nan 8.310 nan 0.000 0.539 30 Y N 1.874 122.106 120.300 -0.114 0.000 2.556 30 Y HA 0.436 4.995 4.550 0.015 0.000 0.352 30 Y C 0.070 175.957 175.900 -0.021 0.000 1.006 30 Y CA -0.296 57.773 58.100 -0.051 0.000 1.277 30 Y CB -0.393 38.047 38.460 -0.032 0.000 1.136 30 Y HN 0.320 nan 8.280 nan 0.000 0.523 31 L N 2.457 123.753 121.223 0.121 0.000 2.371 31 L HA 0.508 4.856 4.340 0.014 0.000 0.262 31 L C -0.161 176.765 176.870 0.093 0.000 1.006 31 L CA -1.144 53.759 54.840 0.104 0.000 0.818 31 L CB 2.417 44.532 42.059 0.092 0.000 1.354 31 L HN 0.394 nan 8.230 nan 0.000 0.415 32 E N 0.815 121.066 120.200 0.086 0.000 2.349 32 E HA 0.115 4.474 4.350 0.014 0.000 0.265 32 E C -0.537 176.101 176.600 0.063 0.000 1.064 32 E CA -0.452 55.991 56.400 0.072 0.000 0.886 32 E CB 1.115 30.855 29.700 0.067 0.000 1.036 32 E HN 0.443 nan 8.360 nan 0.000 0.413 33 E N 0.279 120.515 120.200 0.060 0.000 2.452 33 E HA -0.025 4.333 4.350 0.014 0.000 0.261 33 E C 0.572 177.199 176.600 0.044 0.000 0.987 33 E CA 0.951 57.382 56.400 0.052 0.000 0.926 33 E CB 0.178 29.927 29.700 0.082 0.000 0.934 33 E HN 0.719 nan 8.360 nan 0.000 0.452 34 G N 3.200 112.001 108.800 0.002 0.000 2.217 34 G HA2 -0.256 3.712 3.960 0.014 0.000 0.246 34 G HA3 -0.256 3.712 3.960 0.014 0.000 0.246 34 G C 0.370 175.284 174.900 0.023 0.000 0.990 34 G CA 0.246 45.345 45.100 -0.002 0.000 0.627 34 G HN 0.625 nan 8.290 nan 0.000 0.522 35 T N 1.439 116.021 114.554 0.047 0.000 2.888 35 T HA 0.446 4.805 4.350 0.014 0.000 0.301 35 T C 0.454 175.207 174.700 0.089 0.000 1.001 35 T CA 0.292 62.443 62.100 0.084 0.000 1.147 35 T CB 1.989 70.923 68.868 0.109 0.000 0.931 35 T HN 0.495 nan 8.240 nan 0.000 0.541 36 V N 5.420 125.410 119.914 0.126 0.000 2.435 36 V HA 0.395 4.524 4.120 0.014 0.000 0.290 36 V C -0.053 176.160 176.094 0.198 0.000 1.030 36 V CA -0.902 61.488 62.300 0.151 0.000 0.881 36 V CB 1.446 33.395 31.823 0.210 0.000 0.983 36 V HN 0.687 nan 8.190 nan 0.000 0.445 37 I N 5.491 126.171 120.570 0.182 0.000 2.355 37 I HA 0.517 4.695 4.170 0.014 0.000 0.288 37 I C -0.219 175.996 176.117 0.164 0.000 0.999 37 I CA -0.324 61.092 61.300 0.193 0.000 1.163 37 I CB 1.429 39.531 38.000 0.170 0.000 1.316 37 I HN 0.378 nan 8.210 nan 0.000 0.454 38 V N 6.060 126.097 119.914 0.205 0.000 2.789 38 V HA 0.939 5.068 4.120 0.014 0.000 0.311 38 V C -0.881 175.315 176.094 0.171 0.000 1.073 38 V CA -0.287 62.129 62.300 0.193 0.000 0.921 38 V CB 2.085 34.039 31.823 0.219 0.000 1.009 38 V HN 0.896 nan 8.190 nan 0.000 0.426 39 A N 3.687 126.596 122.820 0.149 0.000 2.515 39 A HA 0.645 4.973 4.320 0.014 0.000 0.298 39 A C 0.178 177.890 177.584 0.213 0.000 1.059 39 A CA -0.403 51.691 52.037 0.094 0.000 0.698 39 A CB 1.610 20.610 19.000 0.001 0.000 1.289 39 A HN 0.780 nan 8.150 nan 0.000 0.404 40 D N 0.584 121.080 120.400 0.160 0.000 2.144 40 D HA -0.039 4.609 4.640 0.014 0.000 0.199 40 D C 0.487 177.000 176.300 0.356 0.000 0.984 40 D CA 1.978 56.109 54.000 0.219 0.000 0.834 40 D CB 0.150 41.056 40.800 0.177 0.000 0.955 40 D HN 0.699 nan 8.370 nan 0.000 0.465 41 K N -0.735 119.834 120.400 0.281 0.000 2.556 41 K HA 0.456 4.785 4.320 0.014 0.000 0.274 41 K C -1.201 175.412 176.600 0.021 0.000 0.966 41 K CA -0.883 55.534 56.287 0.216 0.000 0.865 41 K CB 1.783 34.358 32.500 0.125 0.000 1.444 41 K HN -0.257 nan 8.250 nan 0.000 0.433 42 Q N 0.944 120.654 119.800 -0.149 0.000 2.333 42 Q HA 0.228 4.577 4.340 0.014 0.000 0.267 42 Q C 0.100 176.015 176.000 -0.141 0.000 1.012 42 Q CA -0.712 54.991 55.803 -0.166 0.000 0.824 42 Q CB 2.257 30.850 28.738 -0.241 0.000 1.290 42 Q HN 0.903 nan 8.270 nan 0.000 0.449 43 T N -1.344 113.153 114.554 -0.094 0.000 3.054 43 T HA 0.162 4.521 4.350 0.014 0.000 0.259 43 T C 0.954 175.618 174.700 -0.059 0.000 1.092 43 T CA 0.516 62.574 62.100 -0.069 0.000 1.121 43 T CB 0.160 69.000 68.868 -0.046 0.000 0.912 43 T HN 0.532 nan 8.240 nan 0.000 0.489 44 M N 1.764 121.333 119.600 -0.053 0.000 3.404 44 M HA 0.393 4.882 4.480 0.014 0.000 0.398 44 M C 0.465 176.776 176.300 0.018 0.000 1.599 44 M CA -0.724 54.570 55.300 -0.010 0.000 0.696 44 M CB 1.405 34.011 32.600 0.010 0.000 1.427 44 M HN 0.266 nan 8.290 nan 0.000 0.502 45 G N 0.542 109.318 108.800 -0.040 0.000 2.491 45 G HA2 0.378 4.347 3.960 0.014 0.000 0.242 45 G HA3 0.378 4.347 3.960 0.014 0.000 0.242 45 G C -0.742 174.205 174.900 0.079 0.000 1.266 45 G CA 0.164 45.234 45.100 -0.050 0.000 0.844 45 G HN 0.720 nan 8.290 nan 0.000 0.571 46 H N -1.263 117.819 119.070 0.020 0.000 3.008 46 H HA 0.773 5.338 4.556 0.015 0.000 0.354 46 H C 0.292 175.617 175.328 -0.006 0.000 1.252 46 H CA -0.502 55.570 56.048 0.040 0.000 1.117 46 H CB 1.255 31.014 29.762 -0.006 0.000 1.857 46 H HN 0.721 nan 8.280 nan 0.000 0.547 47 G N 0.145 109.066 108.800 0.201 0.000 3.039 47 G HA2 0.405 4.374 3.960 0.014 0.000 0.159 47 G HA3 0.405 4.374 3.960 0.014 0.000 0.159 47 G C -0.627 174.354 174.900 0.134 0.000 1.284 47 G CA -1.486 43.659 45.100 0.075 0.000 0.996 47 G HN 0.641 nan 8.290 nan 0.000 0.592 48 R N -0.496 120.036 120.500 0.054 0.000 2.694 48 R HA 0.316 4.665 4.340 0.014 0.000 0.268 48 R C 0.143 176.466 176.300 0.037 0.000 1.061 48 R CA -0.236 55.886 56.100 0.036 0.000 1.133 48 R CB 0.241 30.543 30.300 0.004 0.000 1.020 48 R HN 0.397 nan 8.270 nan 0.000 0.475 49 L N 1.404 122.633 121.223 0.010 0.000 3.742 49 L HA -0.318 4.031 4.340 0.014 0.000 0.431 49 L C 0.191 177.048 176.870 -0.022 0.000 1.220 49 L CA 0.575 55.409 54.840 -0.009 0.000 0.863 49 L CB -1.734 40.325 42.059 0.001 0.000 1.751 49 L HN 0.946 nan 8.230 nan 0.000 0.922 50 N N 0.146 118.814 118.700 -0.053 0.000 2.678 50 N HA -0.215 4.534 4.740 0.014 0.000 0.249 50 N C 0.435 175.950 175.510 0.008 0.000 1.119 50 N CA 1.420 54.409 53.050 -0.102 0.000 0.718 50 N CB -0.174 38.223 38.487 -0.150 0.000 1.060 50 N HN 0.551 nan 8.380 nan 0.000 0.552 51 R N 0.387 120.925 120.500 0.063 0.000 2.590 51 R HA 0.074 4.423 4.340 0.014 0.000 0.274 51 R C 0.532 176.908 176.300 0.125 0.000 1.061 51 R CA -0.305 55.842 56.100 0.078 0.000 1.081 51 R CB 0.469 30.822 30.300 0.089 0.000 0.984 51 R HN 0.213 nan 8.270 nan 0.000 0.448 52 K N 2.454 122.903 120.400 0.083 0.000 2.412 52 K HA -0.011 4.317 4.320 0.014 0.000 0.281 52 K C -1.182 175.483 176.600 0.109 0.000 1.027 52 K CA -0.017 56.315 56.287 0.076 0.000 0.989 52 K CB 0.605 33.108 32.500 0.005 0.000 0.935 52 K HN 0.533 nan 8.250 nan 0.000 0.475 53 W N 6.775 128.018 121.300 -0.094 0.000 2.362 53 W HA 0.218 4.887 4.660 0.014 0.000 0.316 53 W C -1.005 175.362 176.519 -0.253 0.000 1.024 53 W CA -0.712 56.538 57.345 -0.157 0.000 1.270 53 W CB 1.066 30.413 29.460 -0.188 0.000 1.273 53 W HN 0.616 nan 8.180 nan 0.000 0.424 54 E N 3.214 123.010 120.200 -0.673 0.000 2.415 54 E HA 0.044 4.402 4.350 0.014 0.000 0.260 54 E C -0.201 175.927 176.600 -0.786 0.000 1.016 54 E CA 0.457 56.524 56.400 -0.556 0.000 0.924 54 E CB 0.961 30.397 29.700 -0.440 0.000 0.961 54 E HN 0.252 nan 8.360 nan 0.000 0.459 55 S N 4.591 119.888 115.700 -0.672 0.000 2.204 55 S HA 0.243 4.722 4.470 0.014 0.000 0.178 55 S C -2.280 172.084 174.600 -0.392 0.000 1.493 55 S CA -1.058 56.435 58.200 -1.177 0.000 1.266 55 S CB 0.785 63.160 63.200 -1.375 0.000 1.232 55 S HN 0.355 nan 8.310 nan 0.000 0.406 56 P HA 0.180 nan 4.420 nan 0.000 0.276 56 P C -0.222 177.309 177.300 0.384 0.000 1.244 56 P CA -0.374 62.818 63.100 0.153 0.000 0.801 56 P CB 0.757 32.511 31.700 0.091 0.000 1.006 57 E N -0.048 120.300 120.200 0.246 0.000 2.452 57 E HA 0.229 4.588 4.350 0.014 0.000 0.261 57 E C 0.901 177.598 176.600 0.161 0.000 0.987 57 E CA 0.915 57.450 56.400 0.224 0.000 0.926 57 E CB -0.465 29.314 29.700 0.131 0.000 0.934 57 E HN 0.782 nan 8.360 nan 0.000 0.452 58 G N 2.579 111.431 108.800 0.086 0.000 2.421 58 G HA2 -0.139 3.829 3.960 0.014 0.000 0.188 58 G HA3 -0.139 3.829 3.960 0.014 0.000 0.188 58 G C 0.281 175.102 174.900 -0.132 0.000 1.001 58 G CA -0.242 44.858 45.100 -0.000 0.000 0.693 58 G HN 0.856 nan 8.290 nan 0.000 0.479 59 G N -0.582 108.048 108.800 -0.284 0.000 2.601 59 G HA2 0.688 4.656 3.960 0.014 0.000 0.317 59 G HA3 0.688 4.656 3.960 0.014 0.000 0.317 59 G C -1.002 173.108 174.900 -1.316 0.000 1.246 59 G CA -0.760 43.815 45.100 -0.876 0.000 1.012 59 G HN 0.823 nan 8.290 nan 0.000 0.494 60 L N 0.472 120.949 121.223 -1.242 0.000 2.277 60 L HA 0.587 4.936 4.340 0.014 0.000 0.284 60 L C -1.391 175.145 176.870 -0.557 0.000 1.028 60 L CA -1.139 53.274 54.840 -0.713 0.000 0.835 60 L CB 0.234 42.111 42.059 -0.303 0.000 1.215 60 L HN 0.506 nan 8.230 nan 0.000 0.425 61 W N 7.742 129.093 121.300 0.085 0.000 2.336 61 W HA 0.617 5.284 4.660 0.012 0.000 0.315 61 W C -0.894 175.642 176.519 0.028 0.000 1.016 61 W CA -1.003 56.370 57.345 0.046 0.000 1.318 61 W CB 0.980 30.469 29.460 0.050 0.000 1.247 61 W HN 0.384 nan 8.180 nan 0.000 0.414 62 L N 0.552 121.885 121.223 0.184 0.000 2.479 62 L HA 0.938 5.286 4.340 0.014 0.000 0.255 62 L C -0.474 176.419 176.870 0.038 0.000 1.026 62 L CA -1.063 53.851 54.840 0.122 0.000 0.842 62 L CB 2.000 44.158 42.059 0.165 0.000 1.444 62 L HN 0.052 nan 8.230 nan 0.000 0.409 63 S N 0.935 116.657 115.700 0.036 0.000 2.541 63 S HA 0.841 5.320 4.470 0.014 0.000 0.280 63 S C -0.823 173.781 174.600 0.007 0.000 1.112 63 S CA -0.422 57.773 58.200 -0.008 0.000 0.925 63 S CB 1.540 64.733 63.200 -0.012 0.000 1.067 63 S HN 0.594 nan 8.310 nan 0.000 0.479 64 I N 1.925 122.470 120.570 -0.042 0.000 2.465 64 I HA 0.401 4.580 4.170 0.014 0.000 0.291 64 I C -0.721 175.351 176.117 -0.075 0.000 1.014 64 I CA -1.038 60.227 61.300 -0.058 0.000 1.093 64 I CB 1.868 39.794 38.000 -0.123 0.000 1.267 64 I HN 0.257 nan 8.210 nan 0.000 0.431 65 V N 7.327 127.216 119.914 -0.043 0.000 2.488 65 V HA 0.375 4.503 4.120 0.014 0.000 0.277 65 V C 0.116 176.161 176.094 -0.082 0.000 1.046 65 V CA -0.089 62.189 62.300 -0.038 0.000 0.986 65 V CB 1.002 32.831 31.823 0.010 0.000 0.989 65 V HN 0.453 nan 8.190 nan 0.000 0.475 66 L N 3.743 124.917 121.223 -0.082 0.000 2.371 66 L HA 0.610 4.958 4.340 0.014 0.000 0.262 66 L C 0.028 176.920 176.870 0.036 0.000 1.006 66 L CA -0.365 54.422 54.840 -0.089 0.000 0.818 66 L CB 2.330 44.257 42.059 -0.220 0.000 1.354 66 L HN 0.520 nan 8.230 nan 0.000 0.415 67 S N 1.920 117.695 115.700 0.124 0.000 2.407 67 S HA 0.313 4.792 4.470 0.014 0.000 0.166 67 S C -2.512 172.207 174.600 0.199 0.000 1.445 67 S CA -0.955 57.325 58.200 0.132 0.000 1.260 67 S CB 0.364 63.624 63.200 0.100 0.000 1.401 67 S HN 0.359 nan 8.310 nan 0.000 0.379 68 P HA 0.132 nan 4.420 nan 0.000 0.262 68 P C -0.725 176.664 177.300 0.148 0.000 1.199 68 P CA -0.223 63.052 63.100 0.292 0.000 0.763 68 P CB 0.463 32.423 31.700 0.434 0.000 0.790 69 K N 3.702 124.149 120.400 0.078 0.000 2.333 69 K HA 0.280 4.608 4.320 0.014 0.000 0.241 69 K C 0.293 176.881 176.600 -0.019 0.000 1.193 69 K CA -0.398 55.906 56.287 0.029 0.000 1.142 69 K CB -0.091 32.417 32.500 0.014 0.000 1.731 69 K HN 0.386 nan 8.250 nan 0.000 0.344 70 V N -1.405 118.504 119.914 -0.009 0.000 3.130 70 V HA 0.639 4.767 4.120 0.014 0.000 0.310 70 V C -2.731 173.351 176.094 -0.020 0.000 1.158 70 V CA -2.761 59.499 62.300 -0.068 0.000 1.029 70 V CB 1.621 33.338 31.823 -0.176 0.000 1.057 70 V HN 0.136 nan 8.190 nan 0.000 0.436 71 P HA 0.161 nan 4.420 nan 0.000 0.266 71 P C 0.663 177.981 177.300 0.031 0.000 1.193 71 P CA -0.030 63.068 63.100 -0.003 0.000 0.770 71 P CB 0.429 32.118 31.700 -0.018 0.000 0.836 72 Q N 2.697 122.523 119.800 0.043 0.000 2.152 72 Q HA -0.238 4.110 4.340 0.014 0.000 0.206 72 Q C 1.722 177.769 176.000 0.079 0.000 0.985 72 Q CA 1.924 57.762 55.803 0.059 0.000 0.863 72 Q CB -0.469 28.299 28.738 0.050 0.000 0.904 72 Q HN 0.648 nan 8.270 nan 0.000 0.422 73 K N 0.458 120.908 120.400 0.084 0.000 2.160 73 K HA -0.161 4.167 4.320 0.014 0.000 0.206 73 K C 1.158 177.826 176.600 0.113 0.000 1.047 73 K CA 1.691 58.052 56.287 0.123 0.000 0.930 73 K CB -0.095 32.481 32.500 0.127 0.000 0.720 73 K HN 0.076 nan 8.250 nan 0.000 0.450 74 D N 1.120 121.574 120.400 0.090 0.000 2.323 74 D HA 0.019 4.667 4.640 0.014 0.000 0.209 74 D C 1.994 178.466 176.300 0.286 0.000 0.973 74 D CA 0.495 54.586 54.000 0.152 0.000 0.874 74 D CB 0.042 40.865 40.800 0.039 0.000 0.930 74 D HN 0.213 nan 8.370 nan 0.000 0.521 75 L N 0.955 122.302 121.223 0.207 0.000 2.081 75 L HA -0.164 4.185 4.340 0.014 0.000 0.212 75 L C -0.463 176.478 176.870 0.118 0.000 1.080 75 L CA 1.383 56.333 54.840 0.183 0.000 0.754 75 L CB -1.785 40.342 42.059 0.114 0.000 0.893 75 L HN 0.011 nan 8.230 nan 0.000 0.433 76 P HA -0.151 nan 4.420 nan 0.000 0.228 76 P C 1.050 178.350 177.300 -0.000 0.000 1.151 76 P CA 1.210 64.349 63.100 0.065 0.000 0.770 76 P CB -0.003 31.715 31.700 0.029 0.000 0.786 77 K N -1.033 119.402 120.400 0.057 0.000 2.418 77 K HA 0.106 4.434 4.320 0.014 0.000 0.195 77 K C 1.736 178.208 176.600 -0.213 0.000 1.035 77 K CA 0.351 56.649 56.287 0.018 0.000 1.003 77 K CB -0.249 32.499 32.500 0.413 0.000 0.793 77 K HN 0.198 nan 8.250 nan 0.000 0.494 78 I N 0.609 121.024 120.570 -0.258 0.000 2.335 78 I HA -0.278 3.900 4.170 0.014 0.000 0.251 78 I C 2.274 178.213 176.117 -0.297 0.000 1.129 78 I CA 0.914 62.004 61.300 -0.349 0.000 1.402 78 I CB -0.272 37.599 38.000 -0.216 0.000 1.069 78 I HN 0.007 nan 8.210 nan 0.000 0.424 79 V N 0.922 120.618 119.914 -0.364 0.000 2.392 79 V HA -0.298 3.831 4.120 0.014 0.000 0.249 79 V C 2.287 178.222 176.094 -0.265 0.000 1.059 79 V CA 1.976 64.040 62.300 -0.393 0.000 1.051 79 V CB -0.451 30.999 31.823 -0.622 0.000 0.658 79 V HN 0.240 nan 8.190 nan 0.000 0.455 80 F N -0.034 119.822 119.950 -0.157 0.000 2.216 80 F HA -0.052 4.483 4.527 0.013 0.000 0.300 80 F C 2.124 177.861 175.800 -0.105 0.000 1.085 80 F CA 1.104 59.040 58.000 -0.107 0.000 1.326 80 F CB -1.008 37.974 39.000 -0.030 0.000 1.027 80 F HN 0.149 nan 8.300 nan 0.000 0.497 81 L N -0.543 120.687 121.223 0.012 0.000 2.046 81 L HA -0.138 4.211 4.340 0.014 0.000 0.208 81 L C 2.768 179.614 176.870 -0.040 0.000 1.077 81 L CA 1.427 56.243 54.840 -0.040 0.000 0.747 81 L CB -1.430 40.545 42.059 -0.140 0.000 0.896 81 L HN 0.247 nan 8.230 nan 0.000 0.432 82 G N -0.402 108.351 108.800 -0.078 0.000 2.421 82 G HA2 -0.235 3.734 3.960 0.014 0.000 0.216 82 G HA3 -0.235 3.734 3.960 0.014 0.000 0.216 82 G C 1.787 176.657 174.900 -0.051 0.000 1.171 82 G CA 0.811 45.860 45.100 -0.085 0.000 0.775 82 G HN 0.455 nan 8.290 nan 0.000 0.543 83 A N 0.094 122.900 122.820 -0.024 0.000 1.877 83 A HA 0.040 4.368 4.320 0.014 0.000 0.216 83 A C 2.612 180.205 177.584 0.014 0.000 1.186 83 A CA 1.976 54.015 52.037 0.003 0.000 0.620 83 A CB -0.734 18.295 19.000 0.048 0.000 0.822 83 A HN 0.276 nan 8.150 nan 0.000 0.443 84 V N -0.080 119.851 119.914 0.028 0.000 2.427 84 V HA -0.162 3.967 4.120 0.014 0.000 0.248 84 V C 2.807 178.907 176.094 0.010 0.000 1.051 84 V CA 1.860 64.173 62.300 0.021 0.000 1.048 84 V CB -1.441 30.400 31.823 0.031 0.000 0.666 84 V HN 0.626 nan 8.190 nan 0.000 0.456 85 G N -0.154 108.645 108.800 -0.002 0.000 2.446 85 G HA2 -0.217 3.752 3.960 0.014 0.000 0.217 85 G HA3 -0.217 3.752 3.960 0.014 0.000 0.217 85 G C 1.684 176.576 174.900 -0.014 0.000 1.168 85 G CA 1.275 46.368 45.100 -0.012 0.000 0.771 85 G HN 0.374 nan 8.290 nan 0.000 0.551 86 V N 0.445 120.347 119.914 -0.020 0.000 2.295 86 V HA -0.186 3.942 4.120 0.014 0.000 0.246 86 V C 3.047 179.140 176.094 -0.001 0.000 1.049 86 V CA 1.569 63.857 62.300 -0.020 0.000 1.024 86 V CB -0.503 31.308 31.823 -0.021 0.000 0.648 86 V HN 0.248 nan 8.190 nan 0.000 0.447 87 V N 0.003 119.921 119.914 0.006 0.000 2.282 87 V HA -0.319 3.809 4.120 0.014 0.000 0.249 87 V C 2.438 178.546 176.094 0.024 0.000 1.057 87 V CA 2.354 64.662 62.300 0.013 0.000 1.032 87 V CB -0.716 31.113 31.823 0.011 0.000 0.645 87 V HN 0.647 nan 8.190 nan 0.000 0.447 88 E N -0.423 119.790 120.200 0.023 0.000 2.077 88 E HA -0.198 4.161 4.350 0.014 0.000 0.193 88 E C 2.284 178.918 176.600 0.057 0.000 0.989 88 E CA 1.773 58.192 56.400 0.032 0.000 0.800 88 E CB -0.330 29.384 29.700 0.023 0.000 0.746 88 E HN 0.568 nan 8.360 nan 0.000 0.452 89 T N 1.567 116.158 114.554 0.060 0.000 2.746 89 T HA -0.100 4.259 4.350 0.014 0.000 0.267 89 T C 1.956 176.775 174.700 0.198 0.000 1.039 89 T CA 0.766 62.939 62.100 0.121 0.000 1.142 89 T CB -0.159 68.741 68.868 0.054 0.000 0.866 89 T HN 0.076 nan 8.240 nan 0.000 0.444 90 L N 0.401 121.683 121.223 0.099 0.000 2.083 90 L HA -0.104 4.244 4.340 0.014 0.000 0.209 90 L C 2.638 179.596 176.870 0.146 0.000 1.083 90 L CA 1.392 56.294 54.840 0.103 0.000 0.752 90 L CB -0.430 41.651 42.059 0.037 0.000 0.899 90 L HN 0.207 nan 8.230 nan 0.000 0.433 91 K N 0.010 120.468 120.400 0.097 0.000 2.097 91 K HA -0.192 4.137 4.320 0.014 0.000 0.206 91 K C 1.964 178.606 176.600 0.071 0.000 1.049 91 K CA 1.322 57.650 56.287 0.069 0.000 0.933 91 K CB -0.066 32.458 32.500 0.039 0.000 0.717 91 K HN 0.355 nan 8.250 nan 0.000 0.442 92 E N -0.378 119.880 120.200 0.096 0.000 2.204 92 E HA -0.146 4.212 4.350 0.014 0.000 0.195 92 E C 0.949 177.483 176.600 -0.111 0.000 0.990 92 E CA 0.902 57.303 56.400 0.002 0.000 0.821 92 E CB 0.020 29.734 29.700 0.023 0.000 0.750 92 E HN 0.241 nan 8.360 nan 0.000 0.477 93 F N 0.096 120.042 119.950 -0.008 0.000 2.660 93 F HA 0.153 4.685 4.527 0.008 0.000 0.302 93 F C 0.634 176.431 175.800 -0.005 0.000 1.103 93 F CA -0.001 57.995 58.000 -0.007 0.000 1.340 93 F CB 0.465 39.461 39.000 -0.008 0.000 1.048 93 F HN -0.267 nan 8.300 nan 0.000 0.551 94 S N 0.716 116.480 115.700 0.107 0.000 3.672 94 S HA -0.201 4.278 4.470 0.014 0.000 0.319 94 S C 0.039 174.682 174.600 0.070 0.000 1.151 94 S CA 0.229 58.466 58.200 0.062 0.000 0.911 94 S CB -2.085 61.136 63.200 0.036 0.000 0.939 94 S HN 0.310 nan 8.310 nan 0.000 0.524 95 I N 1.396 122.018 120.570 0.086 0.000 2.404 95 I HA 0.292 4.470 4.170 0.014 0.000 0.293 95 I C 0.110 176.250 176.117 0.038 0.000 0.992 95 I CA -0.615 60.720 61.300 0.058 0.000 1.149 95 I CB 1.477 39.512 38.000 0.057 0.000 1.315 95 I HN -0.031 nan 8.210 nan 0.000 0.446 96 D N 5.970 126.383 120.400 0.021 0.000 2.517 96 D HA 0.238 4.887 4.640 0.014 0.000 0.220 96 D C 0.281 176.577 176.300 -0.007 0.000 1.158 96 D CA -0.052 53.952 54.000 0.007 0.000 0.992 96 D CB 0.480 41.280 40.800 0.001 0.000 1.058 96 D HN 0.629 nan 8.370 nan 0.000 0.516 97 G N 3.076 111.874 108.800 -0.002 0.000 2.372 97 G HA2 0.455 4.424 3.960 0.014 0.000 0.283 97 G HA3 0.455 4.424 3.960 0.014 0.000 0.283 97 G C -0.136 174.749 174.900 -0.025 0.000 1.177 97 G CA -0.707 44.386 45.100 -0.012 0.000 0.842 97 G HN 0.363 nan 8.290 nan 0.000 0.503 98 R N 1.576 122.046 120.500 -0.050 0.000 2.686 98 R HA 0.321 4.670 4.340 0.014 0.000 0.286 98 R C -0.523 175.760 176.300 -0.028 0.000 0.969 98 R CA -0.861 55.204 56.100 -0.059 0.000 0.898 98 R CB 2.482 32.705 30.300 -0.128 0.000 1.183 98 R HN 0.445 nan 8.270 nan 0.000 0.456 99 I N 2.514 123.091 120.570 0.012 0.000 2.471 99 I HA 0.093 4.271 4.170 0.014 0.000 0.286 99 I C 0.638 176.835 176.117 0.133 0.000 1.079 99 I CA 0.137 61.474 61.300 0.062 0.000 1.398 99 I CB 0.582 38.622 38.000 0.067 0.000 1.403 99 I HN 0.252 nan 8.210 nan 0.000 0.530 100 K N 7.627 128.128 120.400 0.168 0.000 2.292 100 K HA 0.118 4.447 4.320 0.014 0.000 0.270 100 K C -0.660 176.083 176.600 0.238 0.000 1.062 100 K CA -0.666 55.790 56.287 0.281 0.000 0.916 100 K CB 0.629 33.309 32.500 0.300 0.000 1.166 100 K HN 0.537 nan 8.250 nan 0.000 0.458 101 W N 7.955 129.311 121.300 0.093 0.000 2.391 101 W HA -0.023 4.644 4.660 0.012 0.000 0.339 101 W C -1.818 174.727 176.519 0.043 0.000 1.252 101 W CA -0.767 56.634 57.345 0.093 0.000 1.304 101 W CB 0.887 30.409 29.460 0.103 0.000 1.179 101 W HN 0.543 nan 8.180 nan 0.000 0.567 102 P HA 0.054 nan 4.420 nan 0.000 0.291 102 P C -0.108 176.948 177.300 -0.406 0.000 1.341 102 P CA 0.434 63.071 63.100 -0.771 0.000 0.999 102 P CB 0.529 31.203 31.700 -1.709 0.000 1.501 103 N N -0.122 118.373 118.700 -0.342 0.000 2.184 103 N HA 0.279 5.028 4.740 0.014 0.000 0.234 103 N C -0.360 175.067 175.510 -0.137 0.000 1.282 103 N CA -0.374 52.510 53.050 -0.276 0.000 0.877 103 N CB 0.770 39.036 38.487 -0.369 0.000 1.184 103 N HN -0.074 nan 8.380 nan 0.000 0.510 104 A N 0.124 122.914 122.820 -0.050 0.000 2.413 104 A HA 0.756 5.084 4.320 0.014 0.000 0.307 104 A C -1.097 176.516 177.584 0.049 0.000 1.087 104 A CA -0.585 51.463 52.037 0.019 0.000 0.750 104 A CB 2.035 21.077 19.000 0.070 0.000 1.296 104 A HN -0.024 nan 8.150 nan 0.000 0.423 105 V N 2.180 122.129 119.914 0.059 0.000 2.540 105 V HA 0.525 4.653 4.120 0.014 0.000 0.302 105 V C -0.421 175.703 176.094 0.051 0.000 1.035 105 V CA -0.263 62.064 62.300 0.045 0.000 0.873 105 V CB 1.180 33.022 31.823 0.031 0.000 0.992 105 V HN 0.758 nan 8.190 nan 0.000 0.428 106 L N 4.470 125.699 121.223 0.010 0.000 2.319 106 L HA 0.799 5.147 4.340 0.014 0.000 0.267 106 L C -0.955 175.886 176.870 -0.049 0.000 1.011 106 L CA -1.077 53.755 54.840 -0.013 0.000 0.818 106 L CB 2.338 44.355 42.059 -0.071 0.000 1.316 106 L HN 0.310 nan 8.230 nan 0.000 0.432 107 V N 1.536 121.436 119.914 -0.024 0.000 2.447 107 V HA 0.311 4.439 4.120 0.014 0.000 0.292 107 V C -0.281 175.813 176.094 -0.001 0.000 1.021 107 V CA -0.672 61.616 62.300 -0.020 0.000 0.850 107 V CB 1.231 33.058 31.823 0.006 0.000 1.005 107 V HN 0.884 nan 8.190 nan 0.000 0.426 108 N N 4.238 122.930 118.700 -0.014 0.000 2.735 108 N HA -0.259 4.490 4.740 0.014 0.000 0.248 108 N C 0.173 175.792 175.510 0.182 0.000 1.083 108 N CA 1.245 54.340 53.050 0.074 0.000 0.703 108 N CB -1.233 37.295 38.487 0.068 0.000 1.005 108 N HN 0.977 nan 8.380 nan 0.000 0.550 109 Y N -3.072 117.207 120.300 -0.035 0.000 4.798 109 Y HA -0.319 4.235 4.550 0.008 0.000 0.237 109 Y C 0.565 176.481 175.900 0.027 0.000 1.017 109 Y CA 1.437 59.519 58.100 -0.031 0.000 2.010 109 Y CB -1.373 37.039 38.460 -0.080 0.000 1.582 109 Y HN 0.225 nan 8.280 nan 0.000 0.621 110 K N 1.121 121.596 120.400 0.124 0.000 2.159 110 K HA 0.347 4.675 4.320 0.014 0.000 0.266 110 K C 0.091 176.743 176.600 0.087 0.000 0.975 110 K CA -1.015 55.333 56.287 0.102 0.000 0.865 110 K CB 1.426 33.969 32.500 0.072 0.000 1.087 110 K HN -0.005 nan 8.250 nan 0.000 0.446 111 K N 3.560 124.021 120.400 0.102 0.000 2.378 111 K HA 0.066 4.394 4.320 0.014 0.000 0.288 111 K C 0.384 177.052 176.600 0.113 0.000 1.057 111 K CA 0.131 56.489 56.287 0.120 0.000 0.971 111 K CB 0.351 32.940 32.500 0.148 0.000 0.975 111 K HN 0.616 nan 8.250 nan 0.000 0.475 112 I N 2.697 123.338 120.570 0.119 0.000 4.035 112 I HA 0.216 4.395 4.170 0.014 0.000 0.321 112 I C -0.436 175.793 176.117 0.186 0.000 1.289 112 I CA 0.061 61.430 61.300 0.114 0.000 1.236 112 I CB 0.620 38.655 38.000 0.059 0.000 1.076 112 I HN 0.668 nan 8.210 nan 0.000 0.418 113 A N -0.390 122.565 122.820 0.226 0.000 2.594 113 A HA 0.718 5.047 4.320 0.014 0.000 0.296 113 A C -0.754 176.943 177.584 0.188 0.000 1.061 113 A CA -0.122 52.066 52.037 0.253 0.000 0.689 113 A CB 0.903 19.967 19.000 0.106 0.000 1.280 113 A HN 0.164 nan 8.150 nan 0.000 0.406 114 G N -0.336 108.462 108.800 -0.003 0.000 2.571 114 G HA2 0.649 4.617 3.960 0.014 0.000 0.304 114 G HA3 0.649 4.617 3.960 0.014 0.000 0.304 114 G C -1.446 173.228 174.900 -0.376 0.000 1.314 114 G CA -0.561 44.386 45.100 -0.256 0.000 0.975 114 G HN 1.196 nan 8.290 nan 0.000 0.485 115 V N 1.393 121.128 119.914 -0.298 0.000 2.604 115 V HA 0.684 4.813 4.120 0.014 0.000 0.305 115 V C -0.811 175.104 176.094 -0.299 0.000 1.043 115 V CA -0.823 61.307 62.300 -0.282 0.000 0.888 115 V CB 1.648 33.340 31.823 -0.218 0.000 0.995 115 V HN 0.701 nan 8.190 nan 0.000 0.429 116 L N 5.632 126.686 121.223 -0.283 0.000 2.441 116 L HA 0.710 5.059 4.340 0.014 0.000 0.270 116 L C -0.890 175.871 176.870 -0.182 0.000 0.973 116 L CA -0.071 54.629 54.840 -0.233 0.000 0.842 116 L CB 1.921 43.830 42.059 -0.249 0.000 1.239 116 L HN 0.440 nan 8.230 nan 0.000 0.406 117 V N 4.614 124.437 119.914 -0.152 0.000 2.398 117 V HA 0.568 4.697 4.120 0.014 0.000 0.286 117 V C -0.284 175.772 176.094 -0.062 0.000 1.026 117 V CA -0.500 61.732 62.300 -0.113 0.000 0.868 117 V CB 1.609 33.360 31.823 -0.121 0.000 0.982 117 V HN 0.772 nan 8.190 nan 0.000 0.443 118 E N 2.554 122.724 120.200 -0.050 0.000 2.272 118 E HA 0.752 5.111 4.350 0.014 0.000 0.269 118 E C -0.254 176.332 176.600 -0.024 0.000 0.877 118 E CA -0.638 55.747 56.400 -0.025 0.000 0.755 118 E CB 2.519 32.213 29.700 -0.010 0.000 1.192 118 E HN 0.882 nan 8.360 nan 0.000 0.422 119 G N 2.243 111.034 108.800 -0.014 0.000 2.761 119 G HA2 0.346 4.315 3.960 0.014 0.000 0.296 119 G HA3 0.346 4.315 3.960 0.014 0.000 0.296 119 G C -1.301 173.597 174.900 -0.004 0.000 1.416 119 G CA -0.714 44.381 45.100 -0.009 0.000 1.105 119 G HN 0.098 nan 8.290 nan 0.000 0.565 120 K N 1.808 122.205 120.400 -0.005 0.000 2.473 120 K HA 0.698 5.027 4.320 0.014 0.000 0.246 120 K C 0.888 177.492 176.600 0.007 0.000 1.011 120 K CA 0.166 56.451 56.287 -0.002 0.000 0.984 120 K CB 0.917 33.411 32.500 -0.011 0.000 1.250 120 K HN 1.611 nan 8.250 nan 0.000 0.454 121 G N 3.566 112.374 108.800 0.013 0.000 2.596 121 G HA2 -0.356 3.613 3.960 0.014 0.000 0.258 121 G HA3 -0.356 3.613 3.960 0.014 0.000 0.258 121 G C 0.565 175.483 174.900 0.030 0.000 1.207 121 G CA 0.363 45.475 45.100 0.021 0.000 0.954 121 G HN 0.519 nan 8.290 nan 0.000 0.551 122 D N 1.258 121.679 120.400 0.034 0.000 2.234 122 D HA 0.016 4.665 4.640 0.014 0.000 0.205 122 D C 1.126 177.454 176.300 0.047 0.000 0.962 122 D CA 1.266 55.292 54.000 0.045 0.000 0.855 122 D CB 0.083 40.910 40.800 0.045 0.000 0.951 122 D HN 0.604 nan 8.370 nan 0.000 0.500 123 K N 0.703 121.123 120.400 0.033 0.000 2.262 123 K HA 0.263 4.591 4.320 0.014 0.000 0.282 123 K C -0.762 175.845 176.600 0.012 0.000 1.066 123 K CA -0.528 55.773 56.287 0.024 0.000 0.901 123 K CB 0.700 33.208 32.500 0.014 0.000 1.089 123 K HN -0.086 nan 8.250 nan 0.000 0.476 124 I N 4.889 125.465 120.570 0.009 0.000 2.474 124 I HA 0.270 4.448 4.170 0.014 0.000 0.294 124 I C -0.403 175.691 176.117 -0.038 0.000 1.005 124 I CA -0.975 60.319 61.300 -0.009 0.000 1.113 124 I CB 1.716 39.719 38.000 0.005 0.000 1.289 124 I HN 0.303 nan 8.210 nan 0.000 0.436 125 V N 6.682 126.568 119.914 -0.048 0.000 2.378 125 V HA 0.325 4.453 4.120 0.014 0.000 0.288 125 V C -0.303 175.738 176.094 -0.088 0.000 1.016 125 V CA -0.733 61.531 62.300 -0.061 0.000 0.840 125 V CB 2.090 33.885 31.823 -0.047 0.000 0.994 125 V HN 0.463 nan 8.190 nan 0.000 0.431 126 L N 5.710 126.868 121.223 -0.110 0.000 2.264 126 L HA 0.823 5.171 4.340 0.014 0.000 0.287 126 L C 0.507 177.301 176.870 -0.128 0.000 1.039 126 L CA 0.286 55.045 54.840 -0.135 0.000 0.829 126 L CB 0.757 42.718 42.059 -0.163 0.000 1.211 126 L HN 0.651 nan 8.230 nan 0.000 0.427 127 G N 6.090 114.800 108.800 -0.150 0.000 2.356 127 G HA2 0.660 4.629 3.960 0.014 0.000 0.322 127 G HA3 0.660 4.629 3.960 0.014 0.000 0.322 127 G C -0.936 173.849 174.900 -0.193 0.000 1.125 127 G CA -0.461 44.540 45.100 -0.165 0.000 0.885 127 G HN 0.599 nan 8.290 nan 0.000 0.467 128 I N 1.261 121.741 120.570 -0.151 0.000 2.534 128 I HA 0.476 4.655 4.170 0.014 0.000 0.288 128 I C 0.220 176.297 176.117 -0.066 0.000 1.077 128 I CA -0.838 60.377 61.300 -0.142 0.000 1.051 128 I CB 2.671 40.615 38.000 -0.094 0.000 1.234 128 I HN 0.597 nan 8.210 nan 0.000 0.425 129 G N 6.267 115.001 108.800 -0.110 0.000 2.574 129 G HA2 0.653 4.622 3.960 0.014 0.000 0.306 129 G HA3 0.653 4.622 3.960 0.014 0.000 0.306 129 G C -1.677 173.449 174.900 0.377 0.000 1.334 129 G CA -0.356 44.904 45.100 0.267 0.000 0.954 129 G HN 0.364 nan 8.290 nan 0.000 0.500 130 L N 2.252 123.629 121.223 0.257 0.000 2.376 130 L HA 0.519 4.868 4.340 0.014 0.000 0.275 130 L C -0.943 175.898 176.870 -0.049 0.000 0.987 130 L CA -1.147 53.754 54.840 0.103 0.000 0.828 130 L CB 1.712 43.744 42.059 -0.045 0.000 1.249 130 L HN 0.359 nan 8.230 nan 0.000 0.409 131 N N 4.085 122.842 118.700 0.095 0.000 2.420 131 N HA 0.243 4.992 4.740 0.014 0.000 0.262 131 N C 0.370 175.832 175.510 -0.081 0.000 1.144 131 N CA -0.045 53.023 53.050 0.030 0.000 0.952 131 N CB 1.946 40.499 38.487 0.109 0.000 1.081 131 N HN 0.558 nan 8.380 nan 0.000 0.480 132 V N 2.456 122.277 119.914 -0.154 0.000 3.405 132 V HA 0.092 4.220 4.120 0.014 0.000 0.211 132 V C 1.274 177.313 176.094 -0.091 0.000 1.151 132 V CA 0.404 62.612 62.300 -0.154 0.000 1.323 132 V CB -0.035 31.659 31.823 -0.216 0.000 1.357 132 V HN 0.573 nan 8.190 nan 0.000 0.506 133 N N 1.153 119.805 118.700 -0.080 0.000 2.205 133 N HA 0.089 4.838 4.740 0.014 0.000 0.201 133 N C 0.187 175.696 175.510 -0.001 0.000 1.128 133 N CA -0.068 52.962 53.050 -0.035 0.000 0.867 133 N CB 0.018 38.485 38.487 -0.034 0.000 0.996 133 N HN 0.660 nan 8.380 nan 0.000 0.503 134 N N 1.156 119.867 118.700 0.020 0.000 2.424 134 N HA 0.062 4.811 4.740 0.014 0.000 0.257 134 N C -0.150 175.393 175.510 0.055 0.000 1.250 134 N CA 0.071 53.166 53.050 0.075 0.000 0.946 134 N CB 1.353 39.958 38.487 0.197 0.000 1.175 134 N HN -0.129 nan 8.380 nan 0.000 0.477 135 K N -0.146 120.282 120.400 0.047 0.000 2.202 135 K HA 0.288 4.617 4.320 0.014 0.000 0.264 135 K C 0.004 176.609 176.600 0.009 0.000 1.010 135 K CA -0.651 55.647 56.287 0.018 0.000 0.940 135 K CB 1.009 33.513 32.500 0.006 0.000 0.983 135 K HN 0.559 nan 8.250 nan 0.000 0.475 136 V N -0.886 119.020 119.914 -0.014 0.000 3.074 136 V HA 0.596 4.725 4.120 0.014 0.000 0.314 136 V C -2.266 173.786 176.094 -0.070 0.000 1.117 136 V CA -1.930 60.341 62.300 -0.049 0.000 1.014 136 V CB 1.236 33.039 31.823 -0.033 0.000 1.057 136 V HN 0.745 nan 8.190 nan 0.000 0.438 137 P HA 0.313 nan 4.420 nan 0.000 0.277 137 P C -0.725 176.537 177.300 -0.063 0.000 1.271 137 P CA -0.575 62.466 63.100 -0.099 0.000 0.795 137 P CB 0.373 31.984 31.700 -0.148 0.000 1.101 138 N N -0.391 118.281 118.700 -0.046 0.000 2.458 138 N HA 0.197 4.945 4.740 0.014 0.000 0.258 138 N C 1.402 176.904 175.510 -0.012 0.000 1.219 138 N CA 1.207 54.244 53.050 -0.022 0.000 0.902 138 N CB -0.141 38.336 38.487 -0.016 0.000 1.076 138 N HN 0.845 nan 8.380 nan 0.000 0.455 139 G N -0.796 108.008 108.800 0.006 0.000 2.176 139 G HA2 -0.172 3.796 3.960 0.014 0.000 0.253 139 G HA3 -0.172 3.796 3.960 0.014 0.000 0.253 139 G C 0.120 175.040 174.900 0.033 0.000 0.979 139 G CA 0.355 45.472 45.100 0.028 0.000 0.641 139 G HN 0.936 nan 8.290 nan 0.000 0.530 140 A N -1.486 121.339 122.820 0.008 0.000 2.309 140 A HA 1.008 5.337 4.320 0.014 0.000 0.317 140 A C 0.149 177.744 177.584 0.017 0.000 1.134 140 A CA 0.589 52.632 52.037 0.010 0.000 0.866 140 A CB 1.908 20.884 19.000 -0.040 0.000 1.329 140 A HN 1.364 nan 8.150 nan 0.000 0.477 141 T N -1.322 113.248 114.554 0.026 0.000 2.731 141 T HA 0.706 5.065 4.350 0.014 0.000 0.300 141 T C -0.828 173.888 174.700 0.026 0.000 1.283 141 T CA 0.287 62.402 62.100 0.024 0.000 1.005 141 T CB 1.266 70.151 68.868 0.029 0.000 1.420 141 T HN 1.977 nan 8.240 nan 0.000 0.503 142 S N 0.465 116.175 115.700 0.016 0.000 2.638 142 S HA 0.477 4.955 4.470 0.014 0.000 0.274 142 S C 1.150 175.743 174.600 -0.012 0.000 1.157 142 S CA -0.881 57.322 58.200 0.005 0.000 0.826 142 S CB 1.179 64.380 63.200 0.002 0.000 1.139 142 S HN 0.732 nan 8.310 nan 0.000 0.474 143 M N 1.155 120.730 119.600 -0.042 0.000 2.117 143 M HA -0.055 4.433 4.480 0.014 0.000 0.262 143 M C 2.283 178.566 176.300 -0.028 0.000 1.065 143 M CA 1.753 57.019 55.300 -0.055 0.000 1.114 143 M CB -0.541 31.976 32.600 -0.138 0.000 1.361 143 M HN 0.871 nan 8.290 nan 0.000 0.408 144 K N 1.109 121.491 120.400 -0.030 0.000 2.097 144 K HA -0.124 4.205 4.320 0.014 0.000 0.206 144 K C 1.735 178.335 176.600 0.001 0.000 1.049 144 K CA 1.162 57.443 56.287 -0.011 0.000 0.933 144 K CB -0.063 32.429 32.500 -0.014 0.000 0.717 144 K HN 0.314 nan 8.250 nan 0.000 0.442 145 L N 0.746 121.970 121.223 0.002 0.000 2.156 145 L HA -0.104 4.244 4.340 0.014 0.000 0.208 145 L C 2.274 179.151 176.870 0.012 0.000 1.095 145 L CA 0.760 55.604 54.840 0.007 0.000 0.770 145 L CB -0.176 41.888 42.059 0.008 0.000 0.914 145 L HN 0.188 nan 8.230 nan 0.000 0.439 146 E N 0.011 120.219 120.200 0.012 0.000 2.122 146 E HA -0.046 4.313 4.350 0.014 0.000 0.190 146 E C 2.269 178.883 176.600 0.023 0.000 0.977 146 E CA 0.910 57.321 56.400 0.018 0.000 0.820 146 E CB 0.110 29.821 29.700 0.018 0.000 0.770 146 E HN 0.482 nan 8.360 nan 0.000 0.462 147 L N -0.851 120.388 121.223 0.026 0.000 2.307 147 L HA 0.163 4.512 4.340 0.014 0.000 0.211 147 L C 1.506 178.393 176.870 0.028 0.000 1.099 147 L CA 0.683 55.544 54.840 0.036 0.000 0.816 147 L CB 0.017 42.108 42.059 0.054 0.000 0.952 147 L HN 0.262 nan 8.230 nan 0.000 0.455 148 G N 0.417 109.230 108.800 0.021 0.000 2.159 148 G HA2 -0.236 3.733 3.960 0.014 0.000 0.227 148 G HA3 -0.236 3.733 3.960 0.014 0.000 0.227 148 G C 0.163 175.073 174.900 0.016 0.000 0.986 148 G CA 0.154 45.264 45.100 0.017 0.000 0.651 148 G HN 0.479 nan 8.290 nan 0.000 0.523 149 S N -1.261 114.450 115.700 0.018 0.000 2.567 149 S HA 0.610 5.088 4.470 0.014 0.000 0.270 149 S C -0.723 173.886 174.600 0.016 0.000 1.152 149 S CA -0.288 57.922 58.200 0.017 0.000 0.835 149 S CB 2.158 65.371 63.200 0.021 0.000 1.115 149 S HN 0.816 nan 8.310 nan 0.000 0.459 150 E N 0.464 120.671 120.200 0.011 0.000 2.568 150 E HA 0.315 4.674 4.350 0.014 0.000 0.262 150 E C -0.934 175.675 176.600 0.014 0.000 0.961 150 E CA 0.175 56.578 56.400 0.005 0.000 0.945 150 E CB 0.384 30.087 29.700 0.005 0.000 0.924 150 E HN 0.538 nan 8.360 nan 0.000 0.467 151 V N 7.077 126.990 119.914 -0.002 0.000 2.459 151 V HA 0.329 4.458 4.120 0.014 0.000 0.295 151 V C -2.183 173.911 176.094 -0.000 0.000 1.029 151 V CA -2.084 60.222 62.300 0.010 0.000 0.874 151 V CB 1.719 33.509 31.823 -0.055 0.000 0.985 151 V HN 0.764 nan 8.190 nan 0.000 0.438 152 P HA 0.037 nan 4.420 nan 0.000 0.259 152 P C 0.628 177.935 177.300 0.011 0.000 1.211 152 P CA -0.027 63.097 63.100 0.041 0.000 0.810 152 P CB 0.492 32.244 31.700 0.088 0.000 0.815 153 L N 5.304 126.508 121.223 -0.031 0.000 2.042 153 L HA -0.172 4.177 4.340 0.014 0.000 0.210 153 L C 1.803 178.672 176.870 -0.002 0.000 1.076 153 L CA 1.813 56.618 54.840 -0.059 0.000 0.749 153 L CB -1.266 40.744 42.059 -0.081 0.000 0.893 153 L HN 0.264 nan 8.230 nan 0.000 0.432 154 L N -1.270 119.958 121.223 0.008 0.000 2.083 154 L HA -0.172 4.176 4.340 0.014 0.000 0.209 154 L C 2.442 179.399 176.870 0.145 0.000 1.083 154 L CA 1.998 56.867 54.840 0.049 0.000 0.752 154 L CB -0.807 41.248 42.059 -0.007 0.000 0.899 154 L HN 0.258 nan 8.230 nan 0.000 0.433 155 S N -1.133 114.649 115.700 0.136 0.000 2.382 155 S HA -0.139 4.339 4.470 0.014 0.000 0.228 155 S C 1.931 176.688 174.600 0.262 0.000 1.027 155 S CA 1.359 59.688 58.200 0.215 0.000 0.991 155 S CB -0.391 62.980 63.200 0.286 0.000 0.823 155 S HN 0.370 nan 8.310 nan 0.000 0.469 156 V N 1.195 121.180 119.914 0.119 0.000 2.358 156 V HA -0.134 3.994 4.120 0.014 0.000 0.246 156 V C 1.832 177.948 176.094 0.038 0.000 1.047 156 V CA 1.679 63.946 62.300 -0.055 0.000 1.035 156 V CB -0.749 30.904 31.823 -0.284 0.000 0.658 156 V HN 0.503 nan 8.190 nan 0.000 0.452 157 F N 1.475 121.396 119.950 -0.048 0.000 2.069 157 F HA -0.202 4.332 4.527 0.012 0.000 0.298 157 F C 2.641 178.442 175.800 0.002 0.000 1.113 157 F CA 1.879 59.859 58.000 -0.033 0.000 1.214 157 F CB -0.289 38.691 39.000 -0.034 0.000 0.978 157 F HN -0.058 nan 8.300 nan 0.000 0.474 158 R N -0.318 120.277 120.500 0.158 0.000 2.091 158 R HA -0.192 4.156 4.340 0.014 0.000 0.238 158 R C 2.623 178.903 176.300 -0.033 0.000 1.136 158 R CA 1.590 57.722 56.100 0.053 0.000 0.959 158 R CB -0.972 29.410 30.300 0.136 0.000 0.856 158 R HN 0.376 nan 8.270 nan 0.000 0.437 159 S N 0.884 116.608 115.700 0.039 0.000 2.356 159 S HA -0.131 4.348 4.470 0.014 0.000 0.223 159 S C 1.919 176.504 174.600 -0.025 0.000 1.032 159 S CA 1.075 59.307 58.200 0.053 0.000 1.005 159 S CB -0.168 63.157 63.200 0.208 0.000 0.867 159 S HN 0.232 nan 8.310 nan 0.000 0.449 160 L N 1.588 122.760 121.223 -0.084 0.000 2.046 160 L HA 0.049 4.398 4.340 0.014 0.000 0.208 160 L C 2.064 178.821 176.870 -0.188 0.000 1.077 160 L CA 1.587 56.349 54.840 -0.129 0.000 0.747 160 L CB -0.677 41.287 42.059 -0.158 0.000 0.896 160 L HN 0.329 nan 8.230 nan 0.000 0.432 161 I N -0.737 119.640 120.570 -0.322 0.000 2.252 161 I HA -0.236 3.943 4.170 0.014 0.000 0.245 161 I C 2.340 178.367 176.117 -0.150 0.000 1.102 161 I CA 1.476 62.586 61.300 -0.316 0.000 1.385 161 I CB -1.764 35.930 38.000 -0.510 0.000 1.064 161 I HN 0.274 nan 8.210 nan 0.000 0.414 162 T N 1.450 115.940 114.554 -0.107 0.000 2.746 162 T HA -0.123 4.236 4.350 0.014 0.000 0.267 162 T C 1.753 176.439 174.700 -0.024 0.000 1.039 162 T CA 1.303 63.377 62.100 -0.044 0.000 1.142 162 T CB -0.167 68.688 68.868 -0.022 0.000 0.866 162 T HN 0.279 nan 8.240 nan 0.000 0.444 163 N N 1.211 119.894 118.700 -0.029 0.000 2.142 163 N HA 0.052 4.801 4.740 0.014 0.000 0.186 163 N C 1.919 177.427 175.510 -0.003 0.000 1.023 163 N CA 0.814 53.858 53.050 -0.009 0.000 0.852 163 N CB -0.472 38.011 38.487 -0.007 0.000 0.998 163 N HN 0.340 nan 8.380 nan 0.000 0.424 164 L N 0.634 121.839 121.223 -0.030 0.000 2.083 164 L HA -0.172 4.176 4.340 0.014 0.000 0.209 164 L C 2.051 178.944 176.870 0.039 0.000 1.083 164 L CA 1.158 55.986 54.840 -0.019 0.000 0.752 164 L CB -0.414 41.599 42.059 -0.077 0.000 0.899 164 L HN 0.090 nan 8.230 nan 0.000 0.433 165 D N 0.069 120.486 120.400 0.028 0.000 2.097 165 D HA -0.231 4.418 4.640 0.014 0.000 0.195 165 D C 2.336 178.703 176.300 0.112 0.000 0.989 165 D CA 1.202 55.252 54.000 0.084 0.000 0.827 165 D CB 0.081 40.908 40.800 0.045 0.000 0.966 165 D HN 0.042 nan 8.370 nan 0.000 0.456 166 R N -0.242 120.299 120.500 0.068 0.000 2.073 166 R HA -0.084 4.265 4.340 0.014 0.000 0.234 166 R C 2.460 178.808 176.300 0.081 0.000 1.134 166 R CA 1.062 57.199 56.100 0.062 0.000 0.952 166 R CB -0.362 29.961 30.300 0.038 0.000 0.850 166 R HN 0.256 nan 8.270 nan 0.000 0.433 167 L N -0.330 120.947 121.223 0.089 0.000 2.046 167 L HA -0.215 4.134 4.340 0.014 0.000 0.208 167 L C 2.469 179.444 176.870 0.175 0.000 1.077 167 L CA 1.352 56.257 54.840 0.108 0.000 0.747 167 L CB -0.621 41.486 42.059 0.080 0.000 0.896 167 L HN 0.272 nan 8.230 nan 0.000 0.432 168 Y N 0.522 120.854 120.300 0.052 0.000 2.200 168 Y HA -0.214 4.345 4.550 0.014 0.000 0.290 168 Y C 2.309 178.298 175.900 0.147 0.000 1.137 168 Y CA 1.324 59.479 58.100 0.092 0.000 1.163 168 Y CB -0.261 38.222 38.460 0.039 0.000 0.988 168 Y HN -0.006 nan 8.280 nan 0.000 0.518 169 L N 0.082 121.327 121.223 0.037 0.000 2.079 169 L HA -0.266 4.083 4.340 0.014 0.000 0.210 169 L C 2.240 179.078 176.870 -0.054 0.000 1.081 169 L CA 1.876 56.682 54.840 -0.056 0.000 0.752 169 L CB -0.637 41.433 42.059 0.019 0.000 0.896 169 L HN 0.255 nan 8.230 nan 0.000 0.433 170 N N -0.048 118.662 118.700 0.017 0.000 2.270 170 N HA -0.212 4.537 4.740 0.014 0.000 0.181 170 N C 1.693 177.222 175.510 0.033 0.000 1.016 170 N CA 0.837 53.901 53.050 0.022 0.000 0.870 170 N CB -0.147 38.369 38.487 0.049 0.000 0.979 170 N HN 0.224 nan 8.380 nan 0.000 0.431 171 F N 0.961 120.858 119.950 -0.087 0.000 2.171 171 F HA 0.001 4.537 4.527 0.015 0.000 0.300 171 F C 1.695 177.415 175.800 -0.134 0.000 1.090 171 F CA 1.094 59.048 58.000 -0.077 0.000 1.293 171 F CB -0.189 38.795 39.000 -0.027 0.000 1.013 171 F HN 0.043 nan 8.300 nan 0.000 0.486 172 L N -0.116 120.969 121.223 -0.230 0.000 2.131 172 L HA -0.205 4.144 4.340 0.014 0.000 0.210 172 L C 2.292 179.015 176.870 -0.246 0.000 1.092 172 L CA 1.479 56.137 54.840 -0.303 0.000 0.759 172 L CB -0.578 41.307 42.059 -0.290 0.000 0.903 172 L HN 0.111 nan 8.230 nan 0.000 0.435 173 K N -0.429 119.864 120.400 -0.179 0.000 2.128 173 K HA 0.073 4.402 4.320 0.014 0.000 0.202 173 K C 0.249 176.765 176.600 -0.141 0.000 1.050 173 K CA 0.586 56.794 56.287 -0.132 0.000 0.966 173 K CB 0.268 32.719 32.500 -0.082 0.000 0.759 173 K HN 0.226 nan 8.250 nan 0.000 0.454 174 N N 1.063 119.676 118.700 -0.145 0.000 2.727 174 N HA 0.154 4.902 4.740 0.014 0.000 0.252 174 N C -2.584 172.829 175.510 -0.162 0.000 1.283 174 N CA -1.056 51.918 53.050 -0.126 0.000 0.782 174 N CB 1.637 40.089 38.487 -0.058 0.000 1.199 174 N HN -0.136 nan 8.380 nan 0.000 0.520 175 P HA -0.056 nan 4.420 nan 0.000 0.222 175 P C 1.415 178.686 177.300 -0.047 0.000 1.142 175 P CA 1.059 63.868 63.100 -0.484 0.000 0.788 175 P CB 0.330 31.661 31.700 -0.614 0.000 0.767 176 M N -1.656 117.919 119.600 -0.041 0.000 2.435 176 M HA -0.012 4.477 4.480 0.014 0.000 0.265 176 M C 1.084 177.416 176.300 0.053 0.000 1.104 176 M CA 1.150 56.457 55.300 0.012 0.000 1.140 176 M CB -1.277 31.302 32.600 -0.034 0.000 1.372 176 M HN -0.082 nan 8.290 nan 0.000 0.456 177 D N 1.050 121.481 120.400 0.052 0.000 2.182 177 D HA -0.155 4.493 4.640 0.014 0.000 0.201 177 D C 1.850 178.201 176.300 0.084 0.000 0.986 177 D CA 0.917 54.951 54.000 0.057 0.000 0.847 177 D CB -0.290 40.540 40.800 0.050 0.000 0.942 177 D HN 0.271 nan 8.370 nan 0.000 0.467 178 I N 0.538 121.200 120.570 0.153 0.000 2.361 178 I HA -0.190 3.989 4.170 0.014 0.000 0.251 178 I C 1.940 178.098 176.117 0.068 0.000 1.133 178 I CA 0.917 62.306 61.300 0.149 0.000 1.413 178 I CB -0.111 38.042 38.000 0.255 0.000 1.073 178 I HN -0.019 nan 8.210 nan 0.000 0.424 179 L N 0.211 121.471 121.223 0.062 0.000 2.083 179 L HA -0.226 4.123 4.340 0.014 0.000 0.209 179 L C 2.264 179.106 176.870 -0.047 0.000 1.083 179 L CA 1.287 56.110 54.840 -0.028 0.000 0.752 179 L CB -1.016 41.054 42.059 0.018 0.000 0.899 179 L HN 0.332 nan 8.230 nan 0.000 0.433 180 N N 0.299 118.993 118.700 -0.009 0.000 2.142 180 N HA -0.127 4.622 4.740 0.014 0.000 0.186 180 N C 1.986 177.486 175.510 -0.016 0.000 1.023 180 N CA 1.207 54.251 53.050 -0.011 0.000 0.852 180 N CB -0.187 38.301 38.487 0.002 0.000 0.998 180 N HN 0.339 nan 8.380 nan 0.000 0.424 181 L N 0.664 121.882 121.223 -0.008 0.000 2.083 181 L HA -0.103 4.245 4.340 0.014 0.000 0.209 181 L C 2.319 179.171 176.870 -0.030 0.000 1.083 181 L CA 0.674 55.510 54.840 -0.006 0.000 0.752 181 L CB -0.437 41.630 42.059 0.014 0.000 0.899 181 L HN -0.046 nan 8.230 nan 0.000 0.433 182 V N -0.170 119.699 119.914 -0.075 0.000 2.307 182 V HA -0.254 3.874 4.120 0.014 0.000 0.245 182 V C 2.641 178.684 176.094 -0.084 0.000 1.045 182 V CA 1.646 63.867 62.300 -0.131 0.000 1.024 182 V CB -0.593 31.006 31.823 -0.372 0.000 0.651 182 V HN 0.407 nan 8.190 nan 0.000 0.449 183 R N 0.281 120.735 120.500 -0.077 0.000 2.096 183 R HA -0.190 4.159 4.340 0.014 0.000 0.240 183 R C 1.946 178.235 176.300 -0.018 0.000 1.139 183 R CA 1.880 57.956 56.100 -0.040 0.000 0.952 183 R CB -0.597 29.684 30.300 -0.031 0.000 0.854 183 R HN 0.547 nan 8.270 nan 0.000 0.436 184 D N -0.121 120.269 120.400 -0.016 0.000 2.350 184 D HA -0.068 4.581 4.640 0.014 0.000 0.216 184 D C 0.828 177.124 176.300 -0.005 0.000 0.968 184 D CA 0.859 54.854 54.000 -0.007 0.000 0.894 184 D CB -0.088 40.709 40.800 -0.005 0.000 0.909 184 D HN 0.245 nan 8.370 nan 0.000 0.520 185 N N -0.041 118.655 118.700 -0.008 0.000 2.170 185 N HA 0.095 4.843 4.740 0.014 0.000 0.222 185 N C 0.424 175.936 175.510 0.003 0.000 1.218 185 N CA -0.013 53.035 53.050 -0.004 0.000 0.889 185 N CB 1.105 39.591 38.487 -0.002 0.000 1.083 185 N HN 0.329 nan 8.380 nan 0.000 0.520 186 M N -0.712 118.896 119.600 0.013 0.000 2.528 186 M HA 0.519 5.008 4.480 0.014 0.000 0.318 186 M C -0.400 175.929 176.300 0.048 0.000 1.195 186 M CA -0.555 54.773 55.300 0.047 0.000 1.000 186 M CB 1.306 33.952 32.600 0.076 0.000 1.615 186 M HN -0.270 nan 8.290 nan 0.000 0.469 187 I N 3.173 123.793 120.570 0.083 0.000 2.363 187 I HA 0.258 4.436 4.170 0.014 0.000 0.292 187 I C -0.619 175.590 176.117 0.153 0.000 1.075 187 I CA -0.035 61.308 61.300 0.073 0.000 1.333 187 I CB 0.012 38.025 38.000 0.022 0.000 1.415 187 I HN 0.595 nan 8.210 nan 0.000 0.502 188 L N 4.456 125.738 121.223 0.099 0.000 2.277 188 L HA 0.659 5.008 4.340 0.014 0.000 0.254 188 L C 1.038 177.961 176.870 0.088 0.000 1.044 188 L CA -0.808 54.091 54.840 0.097 0.000 0.842 188 L CB 1.734 43.825 42.059 0.053 0.000 1.422 188 L HN 0.734 nan 8.230 nan 0.000 0.422 189 G N 0.598 109.444 108.800 0.078 0.000 2.143 189 G HA2 -0.179 3.789 3.960 0.014 0.000 0.248 189 G HA3 -0.179 3.789 3.960 0.014 0.000 0.248 189 G C -0.270 174.680 174.900 0.083 0.000 0.991 189 G CA 0.300 45.439 45.100 0.066 0.000 0.689 189 G HN 0.729 nan 8.290 nan 0.000 0.522 190 V N -3.831 116.159 119.914 0.127 0.000 3.074 190 V HA 0.860 4.988 4.120 0.014 0.000 0.314 190 V C 0.488 176.687 176.094 0.175 0.000 1.117 190 V CA -1.513 60.875 62.300 0.147 0.000 1.014 190 V CB 1.745 33.675 31.823 0.178 0.000 1.057 190 V HN 0.420 nan 8.190 nan 0.000 0.438 191 R N 0.726 121.320 120.500 0.157 0.000 2.490 191 R HA 0.707 5.056 4.340 0.014 0.000 0.280 191 R C -0.582 175.829 176.300 0.184 0.000 1.077 191 R CA 0.102 56.285 56.100 0.139 0.000 1.065 191 R CB 1.374 31.731 30.300 0.095 0.000 1.003 191 R HN 1.106 nan 8.270 nan 0.000 0.470 192 V N -0.240 119.739 119.914 0.108 0.000 3.159 192 V HA 0.680 4.808 4.120 0.014 0.000 0.308 192 V C -1.328 174.754 176.094 -0.020 0.000 1.190 192 V CA -1.042 61.275 62.300 0.028 0.000 1.037 192 V CB 2.070 33.863 31.823 -0.049 0.000 1.060 192 V HN 0.816 nan 8.190 nan 0.000 0.437 193 K N 1.303 121.650 120.400 -0.089 0.000 2.464 193 K HA 0.733 5.062 4.320 0.014 0.000 0.253 193 K C -2.087 174.368 176.600 -0.242 0.000 0.933 193 K CA -0.857 55.342 56.287 -0.147 0.000 0.801 193 K CB 2.205 34.654 32.500 -0.085 0.000 1.271 193 K HN 0.699 nan 8.250 nan 0.000 0.430 194 I N 5.031 125.326 120.570 -0.459 0.000 2.307 194 I HA 0.239 4.418 4.170 0.014 0.000 0.289 194 I C -0.157 175.768 176.117 -0.320 0.000 1.021 194 I CA -0.280 60.737 61.300 -0.472 0.000 1.224 194 I CB 0.947 38.397 38.000 -0.917 0.000 1.376 194 I HN 0.513 nan 8.210 nan 0.000 0.470 195 L N 5.558 126.681 121.223 -0.168 0.000 2.472 195 L HA 0.701 5.049 4.340 0.014 0.000 0.260 195 L C 1.184 178.014 176.870 -0.067 0.000 1.209 195 L CA -0.023 54.759 54.840 -0.097 0.000 0.817 195 L CB -0.014 42.010 42.059 -0.058 0.000 1.106 195 L HN 0.823 nan 8.230 nan 0.000 0.479 196 G N 0.615 109.392 108.800 -0.037 0.000 2.627 196 G HA2 -0.184 3.785 3.960 0.014 0.000 0.214 196 G HA3 -0.184 3.785 3.960 0.014 0.000 0.214 196 G C -1.028 173.870 174.900 -0.003 0.000 1.331 196 G CA -0.758 44.333 45.100 -0.015 0.000 0.891 196 G HN 0.595 nan 8.290 nan 0.000 0.539 197 D N 1.158 121.564 120.400 0.010 0.000 2.488 197 D HA 0.449 5.098 4.640 0.014 0.000 0.238 197 D C 1.447 177.771 176.300 0.041 0.000 1.138 197 D CA 2.056 56.069 54.000 0.023 0.000 0.873 197 D CB 0.429 41.242 40.800 0.022 0.000 1.183 197 D HN 2.029 nan 8.370 nan 0.000 0.458 198 G N 1.923 110.756 108.800 0.056 0.000 2.160 198 G HA2 -0.280 3.689 3.960 0.014 0.000 0.251 198 G HA3 -0.280 3.689 3.960 0.014 0.000 0.251 198 G C 0.459 175.450 174.900 0.151 0.000 1.008 198 G CA 0.581 45.741 45.100 0.100 0.000 0.724 198 G HN 0.772 nan 8.290 nan 0.000 0.514 199 S N -0.406 115.336 115.700 0.070 0.000 2.576 199 S HA 0.721 5.200 4.470 0.014 0.000 0.272 199 S C 0.030 174.696 174.600 0.110 0.000 1.352 199 S CA 0.550 58.743 58.200 -0.012 0.000 1.021 199 S CB 1.079 64.247 63.200 -0.052 0.000 0.887 199 S HN 1.786 nan 8.310 nan 0.000 0.542 200 F N -1.926 118.031 119.950 0.011 0.000 2.713 200 F HA 0.810 5.346 4.527 0.015 0.000 0.311 200 F C -0.986 174.819 175.800 0.007 0.000 1.141 200 F CA -1.015 56.990 58.000 0.008 0.000 0.939 200 F CB 1.189 40.191 39.000 0.004 0.000 1.325 200 F HN 0.758 nan 8.300 nan 0.000 0.453 201 E N 0.982 121.337 120.200 0.259 0.000 2.416 201 E HA 0.814 5.172 4.350 0.014 0.000 0.273 201 E C -0.973 175.744 176.600 0.195 0.000 0.935 201 E CA -1.100 55.388 56.400 0.146 0.000 0.784 201 E CB 2.228 31.966 29.700 0.063 0.000 1.301 201 E HN 1.437 nan 8.360 nan 0.000 0.454 202 G N 0.374 109.257 108.800 0.139 0.000 2.321 202 G HA2 0.301 4.269 3.960 0.014 0.000 0.296 202 G HA3 0.301 4.269 3.960 0.014 0.000 0.296 202 G C -1.386 173.567 174.900 0.090 0.000 1.287 202 G CA -0.904 44.262 45.100 0.111 0.000 0.846 202 G HN 0.332 nan 8.290 nan 0.000 0.508 203 I N 1.597 122.209 120.570 0.070 0.000 2.371 203 I HA 0.467 4.646 4.170 0.014 0.000 0.290 203 I C 1.116 177.266 176.117 0.056 0.000 1.028 203 I CA -0.555 60.785 61.300 0.067 0.000 1.345 203 I CB 0.813 38.843 38.000 0.051 0.000 1.407 203 I HN 0.699 nan 8.210 nan 0.000 0.501 204 A N 7.018 129.880 122.820 0.070 0.000 2.457 204 A HA 0.213 4.542 4.320 0.014 0.000 0.298 204 A C 1.146 178.747 177.584 0.028 0.000 1.288 204 A CA -0.301 51.757 52.037 0.035 0.000 0.956 204 A CB -0.084 18.959 19.000 0.072 0.000 1.135 204 A HN 0.730 nan 8.150 nan 0.000 0.535 205 E N 1.082 121.281 120.200 -0.002 0.000 2.122 205 E HA 0.044 4.403 4.350 0.014 0.000 0.190 205 E C 0.058 176.652 176.600 -0.011 0.000 0.977 205 E CA 0.987 57.386 56.400 -0.000 0.000 0.820 205 E CB 0.227 29.924 29.700 -0.006 0.000 0.770 205 E HN 0.869 nan 8.360 nan 0.000 0.462 206 D N -1.421 118.954 120.400 -0.040 0.000 2.918 206 D HA 0.145 4.793 4.640 0.014 0.000 0.342 206 D C -1.608 174.639 176.300 -0.088 0.000 1.403 206 D CA -0.556 53.418 54.000 -0.044 0.000 0.776 206 D CB 0.334 41.121 40.800 -0.021 0.000 1.365 206 D HN -0.035 nan 8.370 nan 0.000 0.468 207 I N -0.667 119.866 120.570 -0.061 0.000 2.569 207 I HA 0.689 4.867 4.170 0.014 0.000 0.296 207 I C -0.369 175.760 176.117 0.020 0.000 1.028 207 I CA -0.867 60.404 61.300 -0.048 0.000 1.082 207 I CB 1.780 39.767 38.000 -0.022 0.000 1.264 207 I HN 0.311 nan 8.210 nan 0.000 0.429 208 D N 3.489 123.932 120.400 0.072 0.000 2.478 208 D HA 0.051 4.700 4.640 0.014 0.000 0.274 208 D C 0.726 177.120 176.300 0.156 0.000 1.234 208 D CA -0.275 53.791 54.000 0.111 0.000 1.069 208 D CB 0.304 41.184 40.800 0.133 0.000 1.113 208 D HN 0.723 nan 8.370 nan 0.000 0.571 209 D N -1.076 119.427 120.400 0.172 0.000 2.384 209 D HA -0.168 4.480 4.640 0.014 0.000 0.222 209 D C 0.873 177.171 176.300 -0.004 0.000 0.976 209 D CA 0.535 54.588 54.000 0.089 0.000 0.915 209 D CB -0.431 40.406 40.800 0.062 0.000 0.896 209 D HN 0.297 nan 8.370 nan 0.000 0.523 210 F N -0.123 119.906 119.950 0.131 0.000 2.653 210 F HA 0.366 4.901 4.527 0.014 0.000 0.304 210 F C 1.969 177.942 175.800 0.287 0.000 1.092 210 F CA 0.194 58.298 58.000 0.173 0.000 1.279 210 F CB 0.867 39.944 39.000 0.128 0.000 1.044 210 F HN 0.147 nan 8.300 nan 0.000 0.564 211 G N 0.985 110.046 108.800 0.435 0.000 2.159 211 G HA2 -0.304 3.664 3.960 0.014 0.000 0.256 211 G HA3 -0.304 3.664 3.960 0.014 0.000 0.256 211 G C 0.501 175.806 174.900 0.676 0.000 0.977 211 G CA -0.410 45.053 45.100 0.604 0.000 0.652 211 G HN 0.309 nan 8.290 nan 0.000 0.531 212 R N -0.581 120.177 120.500 0.431 0.000 2.543 212 R HA 0.474 4.822 4.340 0.014 0.000 0.277 212 R C 0.288 176.550 176.300 -0.063 0.000 1.074 212 R CA -0.679 55.590 56.100 0.281 0.000 1.076 212 R CB 0.813 31.218 30.300 0.175 0.000 0.993 212 R HN 0.208 nan 8.270 nan 0.000 0.459 213 L N 4.264 125.168 121.223 -0.533 0.000 2.319 213 L HA 0.210 4.558 4.340 0.014 0.000 0.280 213 L C -0.580 176.078 176.870 -0.353 0.000 1.099 213 L CA 0.137 54.493 54.840 -0.806 0.000 0.828 213 L CB 0.661 41.782 42.059 -1.562 0.000 1.150 213 L HN 0.426 nan 8.230 nan 0.000 0.442 214 I N 6.847 127.285 120.570 -0.221 0.000 2.304 214 I HA 0.272 4.451 4.170 0.014 0.000 0.291 214 I C -0.175 175.894 176.117 -0.081 0.000 1.018 214 I CA -0.312 60.922 61.300 -0.110 0.000 1.260 214 I CB 0.854 38.816 38.000 -0.064 0.000 1.390 214 I HN 0.392 nan 8.210 nan 0.000 0.475 215 I N 6.558 127.101 120.570 -0.044 0.000 2.406 215 I HA 0.360 4.539 4.170 0.014 0.000 0.290 215 I C 0.364 176.481 176.117 0.001 0.000 0.999 215 I CA -0.686 60.620 61.300 0.010 0.000 1.124 215 I CB 1.726 39.794 38.000 0.112 0.000 1.289 215 I HN 0.525 nan 8.210 nan 0.000 0.441 216 R N 6.007 126.514 120.500 0.012 0.000 2.198 216 R HA 0.499 4.847 4.340 0.014 0.000 0.339 216 R C -1.088 175.224 176.300 0.019 0.000 1.020 216 R CA -0.684 55.417 56.100 0.002 0.000 0.864 216 R CB 0.771 31.073 30.300 0.004 0.000 1.105 216 R HN 0.369 nan 8.270 nan 0.000 0.463 217 L N 3.311 124.534 121.223 0.000 0.000 2.466 217 L HA 0.060 4.409 4.340 0.014 0.000 0.257 217 L C 1.368 178.248 176.870 0.017 0.000 1.189 217 L CA 0.406 55.258 54.840 0.021 0.000 0.813 217 L CB 0.755 42.807 42.059 -0.013 0.000 1.118 217 L HN 0.650 nan 8.230 nan 0.000 0.471 218 D N -0.352 120.066 120.400 0.029 0.000 2.190 218 D HA -0.178 4.470 4.640 0.014 0.000 0.200 218 D C 1.984 178.290 176.300 0.010 0.000 0.992 218 D CA 1.724 55.738 54.000 0.022 0.000 0.854 218 D CB 0.017 40.833 40.800 0.027 0.000 0.936 218 D HN 0.691 nan 8.370 nan 0.000 0.462 219 S N -1.273 114.429 115.700 0.004 0.000 2.515 219 S HA 0.122 4.600 4.470 0.014 0.000 0.231 219 S C 1.810 176.404 174.600 -0.010 0.000 0.987 219 S CA 1.104 59.301 58.200 -0.004 0.000 0.936 219 S CB 0.255 63.449 63.200 -0.011 0.000 0.766 219 S HN 0.370 nan 8.310 nan 0.000 0.528 220 G N 0.684 109.478 108.800 -0.011 0.000 2.213 220 G HA2 -0.269 3.699 3.960 0.014 0.000 0.226 220 G HA3 -0.269 3.699 3.960 0.014 0.000 0.226 220 G C -0.133 174.750 174.900 -0.027 0.000 0.992 220 G CA 0.104 45.196 45.100 -0.014 0.000 0.632 220 G HN 0.691 nan 8.290 nan 0.000 0.511 221 E N 0.588 120.764 120.200 -0.040 0.000 2.442 221 E HA 0.340 4.699 4.350 0.014 0.000 0.262 221 E C -0.141 176.414 176.600 -0.075 0.000 1.004 221 E CA 0.113 56.475 56.400 -0.064 0.000 0.928 221 E CB 0.613 30.260 29.700 -0.088 0.000 0.937 221 E HN 0.194 nan 8.360 nan 0.000 0.446 222 V N 5.521 125.387 119.914 -0.079 0.000 2.417 222 V HA 0.329 4.458 4.120 0.014 0.000 0.291 222 V C -0.037 175.989 176.094 -0.114 0.000 1.024 222 V CA -0.580 61.673 62.300 -0.079 0.000 0.861 222 V CB 1.646 33.438 31.823 -0.052 0.000 0.985 222 V HN 0.588 nan 8.190 nan 0.000 0.436 223 K N 3.814 124.133 120.400 -0.134 0.000 2.316 223 K HA 0.596 4.925 4.320 0.014 0.000 0.251 223 K C -1.005 175.545 176.600 -0.083 0.000 0.934 223 K CA -0.890 55.298 56.287 -0.165 0.000 0.802 223 K CB 2.767 35.052 32.500 -0.359 0.000 1.171 223 K HN 0.545 nan 8.250 nan 0.000 0.426 224 K N 2.047 122.411 120.400 -0.059 0.000 2.339 224 K HA 0.321 4.650 4.320 0.014 0.000 0.264 224 K C -0.577 176.029 176.600 0.011 0.000 0.986 224 K CA -0.691 55.577 56.287 -0.033 0.000 0.866 224 K CB 1.712 34.196 32.500 -0.026 0.000 1.103 224 K HN 0.188 nan 8.250 nan 0.000 0.441 225 V N 5.056 124.970 119.914 -0.001 0.000 2.439 225 V HA 0.341 4.469 4.120 0.014 0.000 0.282 225 V C 0.154 176.395 176.094 0.245 0.000 1.039 225 V CA -0.722 61.639 62.300 0.100 0.000 0.913 225 V CB 0.986 32.840 31.823 0.052 0.000 0.983 225 V HN 0.646 nan 8.190 nan 0.000 0.460 226 I N 5.558 126.306 120.570 0.298 0.000 2.321 226 I HA 0.319 4.497 4.170 0.014 0.000 0.291 226 I C -0.214 176.120 176.117 0.361 0.000 0.998 226 I CA -0.837 60.643 61.300 0.300 0.000 1.227 226 I CB 1.093 39.147 38.000 0.089 0.000 1.368 226 I HN 0.732 nan 8.210 nan 0.000 0.466 227 Y N 5.235 125.770 120.300 0.392 0.000 2.511 227 Y HA 0.640 5.200 4.550 0.016 0.000 0.332 227 Y C 0.504 176.403 175.900 -0.001 0.000 1.177 227 Y CA -0.313 57.813 58.100 0.043 0.000 1.422 227 Y CB 0.475 38.610 38.460 -0.542 0.000 1.271 227 Y HN 0.639 nan 8.280 nan 0.000 0.550 228 G N 2.041 110.925 108.800 0.140 0.000 3.508 228 G HA2 0.058 4.027 3.960 0.014 0.000 0.172 228 G HA3 0.058 4.027 3.960 0.014 0.000 0.172 228 G C -0.319 174.626 174.900 0.075 0.000 1.231 228 G CA -0.211 44.928 45.100 0.065 0.000 1.218 228 G HN 0.498 nan 8.290 nan 0.000 0.709 229 D N 0.773 121.203 120.400 0.050 0.000 2.328 229 D HA 0.130 4.778 4.640 0.014 0.000 0.221 229 D C 0.861 177.187 176.300 0.043 0.000 1.072 229 D CA 0.036 54.059 54.000 0.037 0.000 0.850 229 D CB 1.222 42.036 40.800 0.023 0.000 0.922 229 D HN 0.092 nan 8.370 nan 0.000 0.516 230 V N 1.133 121.089 119.914 0.070 0.000 2.655 230 V HA 0.027 4.156 4.120 0.014 0.000 0.300 230 V C -0.002 176.124 176.094 0.054 0.000 1.044 230 V CA 0.220 62.563 62.300 0.073 0.000 1.095 230 V CB 1.171 33.076 31.823 0.136 0.000 0.952 230 V HN -0.066 nan 8.190 nan 0.000 0.485 231 S N 7.728 123.440 115.700 0.020 0.000 2.448 231 S HA 0.520 4.999 4.470 0.014 0.000 0.320 231 S C -0.490 174.098 174.600 -0.020 0.000 1.071 231 S CA -0.374 57.829 58.200 0.004 0.000 1.113 231 S CB 0.979 64.176 63.200 -0.004 0.000 0.972 231 S HN 0.774 nan 8.310 nan 0.000 0.465 232 L N 5.370 126.585 121.223 -0.012 0.000 2.325 232 L HA 0.791 5.139 4.340 0.014 0.000 0.278 232 L C -0.412 176.384 176.870 -0.124 0.000 1.023 232 L CA -0.690 54.113 54.840 -0.062 0.000 0.811 232 L CB 1.008 43.073 42.059 0.010 0.000 1.249 232 L HN 0.732 nan 8.230 nan 0.000 0.431 233 R N 2.487 122.889 120.500 -0.164 0.000 2.771 233 R HA 0.572 4.920 4.340 0.014 0.000 0.274 233 R C -1.745 174.446 176.300 -0.181 0.000 0.987 233 R CA -0.775 55.234 56.100 -0.151 0.000 0.908 233 R CB 1.127 31.407 30.300 -0.033 0.000 1.213 233 R HN 0.315 nan 8.270 nan 0.000 0.468 234 F N 1.438 121.437 119.950 0.082 0.000 2.375 234 F HA 0.437 4.975 4.527 0.018 0.000 0.333 234 F C 0.449 176.259 175.800 0.015 0.000 1.104 234 F CA -0.513 57.530 58.000 0.072 0.000 1.149 234 F CB 0.935 40.006 39.000 0.118 0.000 1.190 234 F HN 0.221 nan 8.300 nan 0.000 0.533 235 L N 0.000 121.346 121.223 0.205 0.000 2.949 235 L HA 0.000 4.349 4.340 0.014 0.000 0.249 235 L CA 0.000 54.895 54.840 0.092 0.000 0.813 235 L CB 0.000 42.100 42.059 0.068 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502